./Stage_1/OUTCAR.out output for 779: TiO2_Ana
Status:
finished
vasp.5.4.4.18Apr17-6-g9f103f2a35 (build May 12 2020 04:58:55) complex
MD_VERSION_INFO: Compiled 2020-05-12T11:58:55-UTC in devlin.sd.materialsdesign.
com:/home/medea2/data/build/wwolf/vasp-gpu5.4.4/13047/x86_64/src/src/build/std
from svn 13047
This VASP executable licensed from Materials Design, Inc.
executed on Lin64 date 2025.03.04 19:04:49
running on 64 total cores
distrk: each k-point on 64 cores, 1 groups
distr: one band on NCORES_PER_BAND= 8 cores, 8 groups
--------------------------------------------------------------------------------------------------------
INCAR:
POTCAR: PAW_PBE Ti_sv 26Sep2005
POTCAR: PAW_PBE O 08Apr2002
POTCAR: PAW_PBE Ti_sv 26Sep2005
local pseudopotential read in
partial core-charges read in
partial kinetic energy density read in
atomic valenz-charges read in
non local Contribution for L= 0 read in
real space projection operators read in
non local Contribution for L= 0 read in
real space projection operators read in
non local Contribution for L= 1 read in
real space projection operators read in
non local Contribution for L= 1 read in
real space projection operators read in
non local Contribution for L= 2 read in
real space projection operators read in
non local Contribution for L= 2 read in
real space projection operators read in
PAW grid and wavefunctions read in
number of l-projection operators is LMAX = 6
number of lm-projection operators is LMMAX = 18
POTCAR: PAW_PBE O 08Apr2002
local pseudopotential read in
partial core-charges read in
partial kinetic energy density read in
kinetic energy density of atom read in
atomic valenz-charges read in
non local Contribution for L= 0 read in
real space projection operators read in
non local Contribution for L= 0 read in
real space projection operators read in
non local Contribution for L= 1 read in
real space projection operators read in
non local Contribution for L= 1 read in
real space projection operators read in
PAW grid and wavefunctions read in
number of l-projection operators is LMAX = 4
number of lm-projection operators is LMMAX = 8
-----------------------------------------------------------------------------
| |
| ADVICE TO THIS USER RUNNING 'VASP/VAMP' (HEAR YOUR MASTER'S VOICE ...): |
| |
| You have a (more or less) 'large supercell' and for larger cells |
| it might be more efficient to use real space projection opertators |
| So try LREAL= Auto in the INCAR file. |
| Mind: For very accurate calculation you might also keep the |
| reciprocal projection scheme (i.e. LREAL=.FALSE.) |
| |
-----------------------------------------------------------------------------
PAW_PBE Ti_sv 26Sep2005 :
energy of atom 1 EATOM=-1588.0892
kinetic energy error for atom= 0.0036 (will be added to EATOM!!)
PAW_PBE O 08Apr2002 :
energy of atom 2 EATOM= -432.3788
kinetic energy error for atom= 0.0194 (will be added to EATOM!!)
POSCAR: TiO2_Ana
positions in direct lattice
No initial velocities read in
exchange correlation table for LEXCH = 8
RHO(1)= 0.500 N(1) = 2000
RHO(2)= 100.500 N(2) = 4000
--------------------------------------------------------------------------------------------------------
ion position nearest neighbor table
1 0.250 0.250 0.500- 17 1.94 19 1.94 25 1.94 35 1.94 18 1.99 24 1.99
2 0.250 0.000 0.750- 18 1.94 20 1.94 28 1.94 34 1.94 19 1.99 21 1.99
3 0.000 0.000 0.000- 21 1.94 23 1.94 29 1.94 39 1.94 22 1.99 20 1.99
4 0.000 0.250 0.250- 22 1.94 24 1.94 32 1.94 38 1.94 23 1.99 17 1.99
5 0.750 0.250 0.500- 17 1.94 25 1.94 27 1.94 43 1.94 32 1.99 26 1.99
6 0.750 0.000 0.750- 20 1.94 26 1.94 28 1.94 42 1.94 29 1.99 27 1.99
7 0.500 0.000 0.000- 21 1.94 29 1.94 31 1.94 47 1.94 28 1.99 30 1.99
8 0.500 0.250 0.250- 24 1.94 30 1.94 32 1.94 46 1.94 25 1.99 31 1.99
9 0.250 0.750 0.500- 19 1.94 33 1.94 35 1.94 41 1.94 40 1.99 34 1.99
10 0.250 0.500 0.750- 18 1.94 34 1.94 36 1.94 44 1.94 37 1.99 35 1.99
11 0.000 0.500 0.000- 23 1.94 37 1.94 39 1.94 45 1.94 36 1.99 38 1.99
12 0.000 0.750 0.250- 22 1.94 38 1.94 40 1.94 48 1.94 33 1.99 39 1.99
13 0.750 0.750 0.500- 27 1.94 33 1.94 41 1.94 43 1.94 42 1.99 48 1.99
14 0.750 0.500 0.750- 26 1.94 36 1.94 42 1.94 44 1.94 43 1.99 45 1.99
15 0.500 0.500 0.000- 31 1.94 37 1.94 45 1.94 47 1.94 46 1.99 44 1.99
16 0.500 0.750 0.250- 30 1.94 40 1.94 46 1.94 48 1.94 47 1.99 41 1.99
17 0.000 0.250 0.457- 1 1.94 5 1.94 4 1.99
18 0.250 0.250 0.707- 2 1.94 10 1.94 1 1.99
19 0.250 0.000 0.543- 1 1.94 9 1.94 2 1.99
20 0.000 0.000 0.793- 2 1.94 6 1.94 3 1.99
21 0.250 0.000 0.957- 3 1.94 7 1.94 2 1.99
22 0.000 0.000 0.207- 4 1.94 12 1.94 3 1.99
23 0.000 0.250 0.043- 3 1.94 11 1.94 4 1.99
24 0.250 0.250 0.293- 4 1.94 8 1.94 1 1.99
25 0.500 0.250 0.457- 1 1.94 5 1.94 8 1.99
26 0.750 0.250 0.707- 6 1.94 14 1.94 5 1.99
27 0.750 0.000 0.543- 5 1.94 13 1.94 6 1.99
28 0.500 0.000 0.793- 2 1.94 6 1.94 7 1.99
29 0.750 0.000 0.957- 3 1.94 7 1.94 6 1.99
30 0.500 0.000 0.207- 8 1.94 16 1.94 7 1.99
31 0.500 0.250 0.043- 7 1.94 15 1.94 8 1.99
32 0.750 0.250 0.293- 4 1.94 8 1.94 5 1.99
33 0.000 0.750 0.457- 9 1.94 13 1.94 12 1.99
34 0.250 0.750 0.707- 2 1.94 10 1.94 9 1.99
35 0.250 0.500 0.543- 1 1.94 9 1.94 10 1.99
36 0.000 0.500 0.793- 10 1.94 14 1.94 11 1.99
37 0.250 0.500 0.957- 11 1.94 15 1.94 10 1.99
38 0.000 0.500 0.207- 4 1.94 12 1.94 11 1.99
39 0.000 0.750 0.043- 3 1.94 11 1.94 12 1.99
40 0.250 0.750 0.293- 12 1.94 16 1.94 9 1.99
41 0.500 0.750 0.457- 9 1.94 13 1.94 16 1.99
42 0.750 0.750 0.707- 6 1.94 14 1.94 13 1.99
43 0.750 0.500 0.543- 5 1.94 13 1.94 14 1.99
44 0.500 0.500 0.793- 10 1.94 14 1.94 15 1.99
45 0.750 0.500 0.957- 11 1.94 15 1.94 14 1.99
46 0.500 0.500 0.207- 8 1.94 16 1.94 15 1.99
47 0.500 0.750 0.043- 7 1.94 15 1.94 16 1.99
48 0.750 0.750 0.293- 12 1.94 16 1.94 13 1.99
LATTYP: Found a simple tetragonal cell.
ALAT = 7.5651000000
C/A-ratio = 1.2709679978
Lattice vectors:
A1 = ( 7.5651000000, 0.0000000000, 0.0000000000)
A2 = ( 0.0000000000, 7.5651000000, 0.0000000000)
A3 = ( 0.0000000000, 0.0000000000, 9.6150000000)
Analysis of symmetry for initial positions (statically):
=====================================================================
Subroutine PRICEL returns following result:
LATTYP: Found a body centered tetragonal cell.
ALAT = 3.7825500000
C/A-ratio = 2.5419359956
Lattice vectors:
A1 = ( -1.8912750000, 1.8912750000, -4.8075000000)
A2 = ( 1.8912750000, -1.8912750000, -4.8075000000)
A3 = ( -1.8912750000, -1.8912750000, 4.8075000000)
8 primitive cells build up your supercell.
Routine SETGRP: Setting up the symmetry group for a
simple tetragonal supercell.
Subroutine GETGRP returns: Found 16 space group operations
(whereof 8 operations were pure point group operations)
out of a pool of 16 trial point group operations.
The static configuration has the point symmetry D_2d.
The point group associated with its full space group is D_4h.
Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
Subroutine PRICEL returns following result:
LATTYP: Found a body centered tetragonal cell.
ALAT = 3.7825500000
C/A-ratio = 2.5419359956
Lattice vectors:
A1 = ( -1.8912750000, 1.8912750000, -4.8075000000)
A2 = ( 1.8912750000, -1.8912750000, -4.8075000000)
A3 = ( -1.8912750000, -1.8912750000, 4.8075000000)
8 primitive cells build up your supercell.
Routine SETGRP: Setting up the symmetry group for a
simple tetragonal supercell.
Subroutine GETGRP returns: Found 16 space group operations
(whereof 8 operations were pure point group operations)
out of a pool of 16 trial point group operations.
The dynamic configuration has the point symmetry D_2d.
The point group associated with its full space group is D_4h.
Analysis of structural, dynamic, and magnetic symmetry:
=====================================================================
Subroutine PRICEL returns following result:
LATTYP: Found a body centered tetragonal cell.
ALAT = 3.7825500000
C/A-ratio = 2.5419359956
Lattice vectors:
A1 = ( -1.8912750000, 1.8912750000, -4.8075000000)
A2 = ( 1.8912750000, -1.8912750000, -4.8075000000)
A3 = ( -1.8912750000, -1.8912750000, 4.8075000000)
8 primitive cells build up your supercell.
Routine SETGRP: Setting up the symmetry group for a
simple tetragonal supercell.
Subroutine GETGRP returns: Found 16 space group operations
(whereof 8 operations were pure point group operations)
out of a pool of 16 trial point group operations.
The magnetic configuration has the point symmetry D_2d.
The point group associated with its full space group is D_4h.
Subroutine INISYM returns: Found 16 space group operations
(whereof 8 operations are pure point group operations),
and found 8 'primitive' translations
KPOINTS: Automatic mesh
Automatic generation of k-mesh.
Space group operators:
irot det(A) alpha n_x n_y n_z tau_x tau_y tau_z
1 1.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 0.000000
2 -1.000000 90.000000 0.000000 0.000000 -1.000000 0.000000 0.000000 0.000000
3 1.000000 179.999999 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000
4 -1.000000 90.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000
5 -1.000000 180.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000
6 1.000000 180.000000 0.707107 0.707107 0.000000 0.000000 0.000000 0.000000
7 -1.000000 180.000000 1.000000 0.000000 0.000000 0.000000 0.000000 0.000000
8 1.000000 180.000000 0.707107 -0.707107 0.000000 0.000000 0.000000 0.000000
9 -1.000000 0.000000 1.000000 0.000000 0.000000 -0.250000 -0.000000 -0.250000
10 1.000000 90.000000 0.000000 0.000000 -1.000000 -0.250000 -0.000000 -0.250000
11 -1.000000 179.999999 0.000000 0.000000 1.000000 -0.250000 -0.000000 -0.250000
12 1.000000 90.000000 0.000000 0.000000 1.000000 -0.250000 -0.000000 -0.250000
13 1.000000 180.000000 0.000000 1.000000 0.000000 -0.250000 -0.000000 -0.250000
14 -1.000000 180.000000 0.707107 0.707107 0.000000 -0.250000 -0.000000 -0.250000
15 1.000000 180.000000 1.000000 0.000000 0.000000 -0.250000 -0.000000 -0.250000
16 -1.000000 180.000000 0.707107 -0.707107 0.000000 -0.250000 -0.000000 -0.250000
Subroutine IBZKPT returns following result:
===========================================
Found 18 irreducible k-points:
Following reciprocal coordinates:
Coordinates Weight
0.083333 0.083333 0.083333 8.000000
0.250000 0.083333 0.083333 16.000000
0.416667 0.083333 0.083333 16.000000
0.250000 0.250000 0.083333 8.000000
0.416667 0.250000 0.083333 16.000000
0.416667 0.416667 0.083333 8.000000
0.083333 0.083333 0.250000 8.000000
0.250000 0.083333 0.250000 16.000000
0.416667 0.083333 0.250000 16.000000
0.250000 0.250000 0.250000 8.000000
0.416667 0.250000 0.250000 16.000000
0.416667 0.416667 0.250000 8.000000
0.083333 0.083333 0.416667 8.000000
0.250000 0.083333 0.416667 16.000000
0.416667 0.083333 0.416667 16.000000
0.250000 0.250000 0.416667 8.000000
0.416667 0.250000 0.416667 16.000000
0.416667 0.416667 0.416667 8.000000
Following cartesian coordinates:
Coordinates Weight
0.011015 0.011015 0.008667 8.000000
0.033046 0.011015 0.008667 16.000000
0.055077 0.011015 0.008667 16.000000
0.033046 0.033046 0.008667 8.000000
0.055077 0.033046 0.008667 16.000000
0.055077 0.055077 0.008667 8.000000
0.011015 0.011015 0.026001 8.000000
0.033046 0.011015 0.026001 16.000000
0.055077 0.011015 0.026001 16.000000
0.033046 0.033046 0.026001 8.000000
0.055077 0.033046 0.026001 16.000000
0.055077 0.055077 0.026001 8.000000
0.011015 0.011015 0.043335 8.000000
0.033046 0.011015 0.043335 16.000000
0.055077 0.011015 0.043335 16.000000
0.033046 0.033046 0.043335 8.000000
0.055077 0.033046 0.043335 16.000000
0.055077 0.055077 0.043335 8.000000
--------------------------------------------------------------------------------------------------------
Dimension of arrays:
k-points NKPTS = 18 k-points in BZ NKDIM = 18 number of bands NBANDS= 256
number of dos NEDOS = 301 number of ions NIONS = 48
non local maximal LDIM = 6 non local SUM 2l+1 LMDIM = 18
total plane-waves NPLWV = 288000
max r-space proj IRMAX = 1 max aug-charges IRDMAX= 162738
dimension x,y,z NGX = 60 NGY = 60 NGZ = 80
dimension x,y,z NGXF= 120 NGYF= 120 NGZF= 160
support grid NGXF= 240 NGYF= 240 NGZF= 320
ions per type = 16 32
NGX,Y,Z is equivalent to a cutoff of 13.19, 13.19, 13.83 a.u.
NGXF,Y,Z is equivalent to a cutoff of 26.37, 26.37, 27.66 a.u.
SYSTEM = TiO2_Ana
POSCAR = TiO2_Ana
Startparameter for this run:
NWRITE = 1 write-flag & timer
PREC = accura normal or accurate (medium, high low for compatibility)
ISTART = 0 job : 0-new 1-cont 2-samecut
ICHARG = 2 charge: 1-file 2-atom 10-const
ISPIN = 2 spin polarized calculation?
LNONCOLLINEAR = F non collinear calculations
LSORBIT = F spin-orbit coupling
INIWAV = 1 electr: 0-lowe 1-rand 2-diag
LASPH = F aspherical Exc in radial PAW
METAGGA= F non-selfconsistent MetaGGA calc.
Electronic Relaxation 1
ENCUT = 550.0 eV 40.42 Ry 6.36 a.u. 14.47 14.47 18.39*2*pi/ulx,y,z
ENINI = 550.0 initial cutoff
ENAUG = 605.4 eV augmentation charge cutoff
NELM = 60; NELMIN= 2; NELMDL= -5 # of ELM steps
EDIFF = 0.1E-05 stopping-criterion for ELM
LREAL = F real-space projection
NLSPLINE = F spline interpolate recip. space projectors
LCOMPAT= F compatible to vasp.4.4
GGA_COMPAT = T GGA compatible to vasp.4.4-vasp.4.6
LMAXPAW = -100 max onsite density
LMAXMIX = 2 max onsite mixed and CHGCAR
VOSKOWN= 1 Vosko Wilk Nusair interpolation
ROPT = 0.00000 0.00000
Ionic relaxation
EDIFFG = -.2E-01 stopping-criterion for IOM
NSW = 100 number of steps for IOM
NBLOCK = 1; KBLOCK = 100 inner block; outer block
IBRION = 2 ionic relax: 0-MD 1-quasi-New 2-CG
NFREE = 1 steps in history (QN), initial steepest desc. (CG)
ISIF = 3 stress and relaxation
IWAVPR = 11 prediction: 0-non 1-charg 2-wave 3-comb
ISYM = 2 0-nonsym 1-usesym 2-fastsym
LCORR = T Harris-Foulkes like correction to forces
POTIM = 0.5000 time-step for ionic-motion
TEIN = 0.0 initial temperature
TEBEG = 0.0; TEEND = 0.0 temperature during run
SMASS = -3.00 Nose mass-parameter (am)
estimated Nose-frequenzy (Omega) = 0.10E-29 period in steps =****** mass= -0.131E-26a.u.
SCALEE = 1.0000 scale energy and forces
NPACO = 256; APACO = 16.0 distance and # of slots for P.C.
PSTRESS= 0.0 pullay stress
Mass of Ions in am
POMASS = 47.88 16.00
Ionic Valenz
ZVAL = 12.00 6.00
Atomic Wigner-Seitz radii
RWIGS = 1.45 0.73
virtual crystal weights
VCA = 1.00 1.00
NELECT = 384.0000 total number of electrons
NUPDOWN= -1.0000 fix difference up-down
DOS related values:
EMIN = 10.00; EMAX =-10.00 energy-range for DOS
EFERMI = 0.00
ISMEAR = 0; SIGMA = 0.05 broadening in eV -4-tet -1-fermi 0-gaus
Electronic relaxation 2 (details)
IALGO = 68 algorithm
LDIAG = T sub-space diagonalisation (order eigenvalues)
LSUBROT= F optimize rotation matrix (better conditioning)
TURBO = 0 0=normal 1=particle mesh
IRESTART = 0 0=no restart 2=restart with 2 vectors
NREBOOT = 0 no. of reboots
NMIN = 0 reboot dimension
EREF = 0.00 reference energy to select bands
IMIX = 4 mixing-type and parameters
AMIX = 0.40; BMIX = 1.00
AMIX_MAG = 1.60; BMIX_MAG = 1.00
AMIN = 0.10
WC = 100.; INIMIX= 1; MIXPRE= 1; MAXMIX= -45
Intra band minimization:
WEIMIN = 0.0010 energy-eigenvalue tresh-hold
EBREAK = 0.98E-09 absolut break condition
DEPER = 0.30 relativ break condition
TIME = 0.40 timestep for ELM
volume/ion in A,a.u. = 11.46 77.36
Fermi-wavevector in a.u.,A,eV,Ry = 1.452086 2.744045 28.688618 2.108554
Thomas-Fermi vector in A = 2.569509
Write flags
LWAVE = T write WAVECAR
LDOWNSAMPLE = F k-point downsampling of WAVECAR
LCHARG = T write CHGCAR
LVTOT = F write LOCPOT, total local potential
LVHAR = F write LOCPOT, Hartree potential only
LELF = F write electronic localiz. function (ELF)
LORBIT = 0 0 simple, 1 ext, 2 COOP (PROOUT), +10 PAW based schemes
Dipole corrections
LMONO = F monopole corrections only (constant potential shift)
LDIPOL = F correct potential (dipole corrections)
IDIPOL = 0 1-x, 2-y, 3-z, 4-all directions
EPSILON= 1.0000000 bulk dielectric constant
Exchange correlation treatment:
GGA = -- GGA type
LEXCH = 8 internal setting for exchange type
VOSKOWN= 1 Vosko Wilk Nusair interpolation
LHFCALC = F Hartree Fock is set to
LHFONE = F Hartree Fock one center treatment
AEXX = 0.0000 exact exchange contribution
Linear response parameters
LEPSILON= F determine dielectric tensor
LRPA = F only Hartree local field effects (RPA)
LNABLA = F use nabla operator in PAW spheres
LVEL = F velocity operator in full k-point grid
LINTERFAST= F fast interpolation
KINTER = 0 interpolate to denser k-point grid
CSHIFT =0.1000 complex shift for real part using Kramers Kronig
OMEGAMAX= -1.0 maximum frequency
DEG_THRESHOLD= 0.2000000E-02 threshold for treating states as degnerate
RTIME = -0.100 relaxation time in fs
(WPLASMAI= 0.000 imaginary part of plasma frequency in eV, 0.658/RTIME)
DFIELD = 0.0000000 0.0000000 0.0000000 field for delta impulse in time
Orbital magnetization related:
ORBITALMAG= F switch on orbital magnetization
LCHIMAG = F perturbation theory with respect to B field
DQ = 0.001000 dq finite difference perturbation B field
LLRAUG = F two centre corrections for induced B field
--------------------------------------------------------------------------------------------------------
conjugate gradient relaxation of ions
charge density and potential will be updated during run
spin polarized calculation
RMM-DIIS sequential band-by-band and
variant of blocked Davidson during initial phase
perform sub-space diagonalisation
before iterative eigenvector-optimisation
modified Broyden-mixing scheme, WC = 100.0
initial mixing is a Kerker type mixing with AMIX = 0.4000 and BMIX = 1.0000
Hartree-type preconditioning will be used
using additional bands 64
reciprocal scheme for non local part
use partial core corrections
calculate Harris-corrections to forces
(improved forces if not selfconsistent)
use gradient corrections
use of overlap-Matrix (Vanderbilt PP)
Gauss-broadening in eV SIGMA = 0.05
--------------------------------------------------------------------------------------------------------
energy-cutoff : 550.00
volume of cell : 550.27
direct lattice vectors reciprocal lattice vectors
7.565100000 0.000000000 0.000000000 0.132185959 0.000000000 0.000000000
0.000000000 7.565100000 0.000000000 0.000000000 0.132185959 0.000000000
0.000000000 0.000000000 9.615000000 0.000000000 0.000000000 0.104004160
length of vectors
7.565100000 7.565100000 9.615000000 0.132185959 0.132185959 0.104004160
k-points in units of 2pi/SCALE and weight: Automatic mesh
0.01101550 0.01101550 0.00866701 0.037
0.03304649 0.01101550 0.00866701 0.074
0.05507748 0.01101550 0.00866701 0.074
0.03304649 0.03304649 0.00866701 0.037
0.05507748 0.03304649 0.00866701 0.074
0.05507748 0.05507748 0.00866701 0.037
0.01101550 0.01101550 0.02600104 0.037
0.03304649 0.01101550 0.02600104 0.074
0.05507748 0.01101550 0.02600104 0.074
0.03304649 0.03304649 0.02600104 0.037
0.05507748 0.03304649 0.02600104 0.074
0.05507748 0.05507748 0.02600104 0.037
0.01101550 0.01101550 0.04333507 0.037
0.03304649 0.01101550 0.04333507 0.074
0.05507748 0.01101550 0.04333507 0.074
0.03304649 0.03304649 0.04333507 0.037
0.05507748 0.03304649 0.04333507 0.074
0.05507748 0.05507748 0.04333507 0.037
k-points in reciprocal lattice and weights: Automatic mesh
0.08333333 0.08333333 0.08333333 0.037
0.25000000 0.08333333 0.08333333 0.074
0.41666667 0.08333333 0.08333333 0.074
0.25000000 0.25000000 0.08333333 0.037
0.41666667 0.25000000 0.08333333 0.074
0.41666667 0.41666667 0.08333333 0.037
0.08333333 0.08333333 0.25000000 0.037
0.25000000 0.08333333 0.25000000 0.074
0.41666667 0.08333333 0.25000000 0.074
0.25000000 0.25000000 0.25000000 0.037
0.41666667 0.25000000 0.25000000 0.074
0.41666667 0.41666667 0.25000000 0.037
0.08333333 0.08333333 0.41666667 0.037
0.25000000 0.08333333 0.41666667 0.074
0.41666667 0.08333333 0.41666667 0.074
0.25000000 0.25000000 0.41666667 0.037
0.41666667 0.25000000 0.41666667 0.074
0.41666667 0.41666667 0.41666667 0.037
position of ions in fractional coordinates (direct lattice)
0.25000000 0.25000000 0.50000000
0.25000000 0.00000000 0.75000000
0.00000000 0.00000000 0.00000000
0.00000000 0.25000000 0.25000000
0.75000000 0.25000000 0.50000000
0.75000000 0.00000000 0.75000000
0.50000000 0.00000000 0.00000000
0.50000000 0.25000000 0.25000000
0.25000000 0.75000000 0.50000000
0.25000000 0.50000000 0.75000000
0.00000000 0.50000000 0.00000000
0.00000000 0.75000000 0.25000000
0.75000000 0.75000000 0.50000000
0.75000000 0.50000000 0.75000000
0.50000000 0.50000000 0.00000000
0.50000000 0.75000000 0.25000000
0.00000000 0.25000000 0.45715000
0.25000000 0.25000000 0.70715000
0.25000000 0.00000000 0.54285000
0.00000000 0.00000000 0.79285000
0.25000000 0.00000000 0.95715000
0.00000000 0.00000000 0.20715000
0.00000000 0.25000000 0.04285000
0.25000000 0.25000000 0.29285000
0.50000000 0.25000000 0.45715000
0.75000000 0.25000000 0.70715000
0.75000000 0.00000000 0.54285000
0.50000000 0.00000000 0.79285000
0.75000000 0.00000000 0.95715000
0.50000000 0.00000000 0.20715000
0.50000000 0.25000000 0.04285000
0.75000000 0.25000000 0.29285000
0.00000000 0.75000000 0.45715000
0.25000000 0.75000000 0.70715000
0.25000000 0.50000000 0.54285000
0.00000000 0.50000000 0.79285000
0.25000000 0.50000000 0.95715000
0.00000000 0.50000000 0.20715000
0.00000000 0.75000000 0.04285000
0.25000000 0.75000000 0.29285000
0.50000000 0.75000000 0.45715000
0.75000000 0.75000000 0.70715000
0.75000000 0.50000000 0.54285000
0.50000000 0.50000000 0.79285000
0.75000000 0.50000000 0.95715000
0.50000000 0.50000000 0.20715000
0.50000000 0.75000000 0.04285000
0.75000000 0.75000000 0.29285000
position of ions in cartesian coordinates (Angst):
1.89127500 1.89127500 4.80750000
1.89127500 0.00000000 7.21125000
0.00000000 0.00000000 0.00000000
0.00000000 1.89127500 2.40375000
5.67382500 1.89127500 4.80750000
5.67382500 0.00000000 7.21125000
3.78255000 0.00000000 0.00000000
3.78255000 1.89127500 2.40375000
1.89127500 5.67382500 4.80750000
1.89127500 3.78255000 7.21125000
0.00000000 3.78255000 0.00000000
0.00000000 5.67382500 2.40375000
5.67382500 5.67382500 4.80750000
5.67382500 3.78255000 7.21125000
3.78255000 3.78255000 0.00000000
3.78255000 5.67382500 2.40375000
0.00000000 1.89127500 4.39549725
1.89127500 1.89127500 6.79924725
1.89127500 0.00000000 5.21950275
0.00000000 0.00000000 7.62325275
1.89127500 0.00000000 9.20299725
0.00000000 0.00000000 1.99174725
0.00000000 1.89127500 0.41200275
1.89127500 1.89127500 2.81575275
3.78255000 1.89127500 4.39549725
5.67382500 1.89127500 6.79924725
5.67382500 0.00000000 5.21950275
3.78255000 0.00000000 7.62325275
5.67382500 0.00000000 9.20299725
3.78255000 0.00000000 1.99174725
3.78255000 1.89127500 0.41200275
5.67382500 1.89127500 2.81575275
0.00000000 5.67382500 4.39549725
1.89127500 5.67382500 6.79924725
1.89127500 3.78255000 5.21950275
0.00000000 3.78255000 7.62325275
1.89127500 3.78255000 9.20299725
0.00000000 3.78255000 1.99174725
0.00000000 5.67382500 0.41200275
1.89127500 5.67382500 2.81575275
3.78255000 5.67382500 4.39549725
5.67382500 5.67382500 6.79924725
5.67382500 3.78255000 5.21950275
3.78255000 3.78255000 7.62325275
5.67382500 3.78255000 9.20299725
3.78255000 3.78255000 1.99174725
3.78255000 5.67382500 0.41200275
5.67382500 5.67382500 2.81575275
--------------------------------------------------------------------------------------------------------
k-point 1 : 0.0833 0.0833 0.0833 plane waves: 16169
k-point 2 : 0.2500 0.0833 0.0833 plane waves: 16143
k-point 3 : 0.4167 0.0833 0.0833 plane waves: 16100
k-point 4 : 0.2500 0.2500 0.0833 plane waves: 16123
k-point 5 : 0.4167 0.2500 0.0833 plane waves: 16110
k-point 6 : 0.4167 0.4167 0.0833 plane waves: 16100
k-point 7 : 0.0833 0.0833 0.2500 plane waves: 16161
k-point 8 : 0.2500 0.0833 0.2500 plane waves: 16127
k-point 9 : 0.4167 0.0833 0.2500 plane waves: 16104
k-point 10 : 0.2500 0.2500 0.2500 plane waves: 16119
k-point 11 : 0.4167 0.2500 0.2500 plane waves: 16120
k-point 12 : 0.4167 0.4167 0.2500 plane waves: 16122
k-point 13 : 0.0833 0.0833 0.4167 plane waves: 16120
k-point 14 : 0.2500 0.0833 0.4167 plane waves: 16114
k-point 15 : 0.4167 0.0833 0.4167 plane waves: 16119
k-point 16 : 0.2500 0.2500 0.4167 plane waves: 16110
k-point 17 : 0.4167 0.2500 0.4167 plane waves: 16117
k-point 18 : 0.4167 0.4167 0.4167 plane waves: 16091
maximum and minimum number of plane-waves per node : 2041 1994
maximum number of plane-waves: 16169
maximum index in each direction:
IXMAX= 14 IYMAX= 14 IZMAX= 18
IXMIN= -14 IYMIN= -14 IZMIN= -18
The following grids will avoid any aliasing or wrap around errors in the Hartre
e energy
- symmetry arguments have not been applied
- exchange correlation energies might require even more grid points
- we recommend to set PREC=Normal or Accurate and rely on VASP defaults
NGX is ok and might be reduce to 60
NGY is ok and might be reduce to 60
NGZ is ok and might be reduce to 80
parallel 3D FFT for wavefunctions:
minimum data exchange during FFTs selected (reduces bandwidth)
parallel 3D FFT for charge:
minimum data exchange during FFTs selected (reduces bandwidth)
total amount of memory used by VASP MPI-rank0 94312. kBytes
=======================================================================
base : 30000. kBytes
nonl-proj : 12189. kBytes
fftplans : 6672. kBytes
grid : 6190. kBytes
one-center: 186. kBytes
wavefun : 39075. kBytes
INWAV: cpu time 0.0001: real time 0.0004
Broyden mixing: mesh for mixing (old mesh)
NGX = 29 NGY = 29 NGZ = 37
(NGX =120 NGY =120 NGZ =160)
gives a total of 31117 points
initial charge density was supplied:
charge density of overlapping atoms calculated
number of electron 384.0000000 magnetization 48.0000000
keeping initial charge density in first step
--------------------------------------------------------------------------------------------------------
Maximum index for augmentation-charges 3573 (set IRDMAX)
--------------------------------------------------------------------------------------------------------
First call to EWALD: gamma= 0.216
Maximum number of real-space cells 3x 3x 2
Maximum number of reciprocal cells 3x 3x 3
FEWALD: cpu time 0.0035: real time 0.0041
--------------------------------------- Iteration 1( 1) ---------------------------------------
POTLOK: cpu time 0.2241: real time 0.3633
SETDIJ: cpu time 0.4697: real time 0.7249
EDDAV: cpu time 49.0090: real time 49.2562
--------------------------------------------
LOOP: cpu time 49.7097: real time 50.3514
eigenvalue-minimisations : 18432
total energy-change (2. order) : 0.6548192E+04 (-0.1877704E+05)
number of electron 384.0000000 magnetization 48.0000000
augmentation part 384.0000000 magnetization 48.0000000
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 1442.21779323
Ewald energy TEWEN = -26484.75774145
-Hartree energ DENC = -11714.58831968
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 1885.29632321
PAW double counting = 31316.70737315 -31060.79968257
entropy T*S EENTRO = -0.01610397
eigenvalues EBANDS = 1919.26106418
atomic energy EATOM = 39244.87094880
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = 6548.19165490 eV
energy without entropy = 6548.20775886 energy(sigma->0) = 6548.19970688
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 2) ---------------------------------------
EDDAV: cpu time 46.3979: real time 46.4482
--------------------------------------------
LOOP: cpu time 46.3977: real time 46.4480
eigenvalue-minimisations : 18432
total energy-change (2. order) :-0.5617656E+04 (-0.5236471E+04)
number of electron 384.0000000 magnetization 48.0000000
augmentation part 384.0000000 magnetization 48.0000000
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 1442.21779323
Ewald energy TEWEN = -26484.75774145
-Hartree energ DENC = -11714.58831968
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 1885.29632321
PAW double counting = 31316.70737315 -31060.79968257
entropy T*S EENTRO = -0.02195358
eigenvalues EBANDS = -3698.38932705
atomic energy EATOM = 39244.87094880
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = 930.53541406 eV
energy without entropy = 930.55736764 energy(sigma->0) = 930.54639085
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 3) ---------------------------------------
EDDAV: cpu time 50.5953: real time 50.6053
--------------------------------------------
LOOP: cpu time 50.5918: real time 50.6018
eigenvalue-minimisations : 20752
total energy-change (2. order) :-0.1329666E+04 (-0.1241448E+04)
number of electron 384.0000000 magnetization 48.0000000
augmentation part 384.0000000 magnetization 48.0000000
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 1442.21779323
Ewald energy TEWEN = -26484.75774145
-Hartree energ DENC = -11714.58831968
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 1885.29632321
PAW double counting = 31316.70737315 -31060.79968257
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -5028.07702652
atomic energy EATOM = 39244.87094880
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -399.13033184 eV
energy without entropy = -399.13033184 energy(sigma->0) = -399.13033184
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 4) ---------------------------------------
EDDAV: cpu time 62.6840: real time 62.6982
--------------------------------------------
LOOP: cpu time 62.6841: real time 62.6984
eigenvalue-minimisations : 26744
total energy-change (2. order) :-0.1419945E+03 (-0.1411874E+03)
number of electron 384.0000000 magnetization 48.0000000
augmentation part 384.0000000 magnetization 48.0000000
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 1442.21779323
Ewald energy TEWEN = -26484.75774145
-Hartree energ DENC = -11714.58831968
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 1885.29632321
PAW double counting = 31316.70737315 -31060.79968257
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -5170.07156584
atomic energy EATOM = 39244.87094880
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -541.12487115 eV
energy without entropy = -541.12487115 energy(sigma->0) = -541.12487115
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 5) ---------------------------------------
EDDAV: cpu time 66.8022: real time 66.8134
CHARGE: cpu time 1.8589: real time 1.8592
MIXING: cpu time 0.0177: real time 0.0178
--------------------------------------------
LOOP: cpu time 68.6756: real time 68.6871
eigenvalue-minimisations : 28992
total energy-change (2. order) :-0.1119245E+02 (-0.1118429E+02)
number of electron 383.9999998 magnetization 25.0179669
augmentation part 80.0627727 magnetization 25.7084305
Broyden mixing:
rms(total) = 0.99721E+01 rms(broyden)= 0.99715E+01
rms(prec ) = 0.11970E+02
weight for this iteration 100.00
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 1442.21779323
Ewald energy TEWEN = -26484.75774145
-Hartree energ DENC = -11714.58831968
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 1885.29632321
PAW double counting = 31316.70737315 -31060.79968257
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -5181.26401446
atomic energy EATOM = 39244.87094880
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -552.31731978 eV
energy without entropy = -552.31731978 energy(sigma->0) = -552.31731978
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 6) ---------------------------------------
POTLOK: cpu time 0.2001: real time 0.2079
SETDIJ: cpu time 0.6093: real time 0.6094
EDDIAG: cpu time 8.9691: real time 8.9702
RMM-DIIS: cpu time 38.0171: real time 38.0235
ORTHCH: cpu time 1.9894: real time 1.9896
CHARGE: cpu time 1.8666: real time 1.8687
MIXING: cpu time 0.0183: real time 0.0183
--------------------------------------------
LOOP: cpu time 51.6699: real time 51.6876
eigenvalue-minimisations : 23841
total energy-change (2. order) : 0.1456664E+03 (-0.8412537E+02)
number of electron 383.9999999 magnetization 14.9643366
augmentation part 81.8479600 magnetization 14.2328776
Broyden mixing:
rms(total) = 0.34467E+01 rms(broyden)= 0.34452E+01
rms(prec ) = 0.39026E+01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 0.8496
0.8496
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 1442.21779323
Ewald energy TEWEN = -26484.75774145
-Hartree energ DENC = -11621.00879963
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 1911.08518874
PAW double counting = 36064.25334021 -35866.35167360
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -5096.95998416
atomic energy EATOM = 39244.87094880
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -406.65092788 eV
energy without entropy = -406.65092788 energy(sigma->0) = -406.65092788
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 7) ---------------------------------------
POTLOK: cpu time 0.1814: real time 0.1856
SETDIJ: cpu time 0.6135: real time 0.6136
EDDIAG: cpu time 8.9160: real time 8.9205
RMM-DIIS: cpu time 36.1185: real time 36.1221
ORTHCH: cpu time 1.9852: real time 1.9854
CHARGE: cpu time 1.8496: real time 1.8501
MIXING: cpu time 0.0181: real time 0.0181
--------------------------------------------
LOOP: cpu time 49.6823: real time 49.6954
eigenvalue-minimisations : 22628
total energy-change (2. order) :-0.1240074E+02 (-0.6235338E+01)
number of electron 383.9999999 magnetization 4.2477025
augmentation part 78.4107708 magnetization 3.7996413
Broyden mixing:
rms(total) = 0.21967E+01 rms(broyden)= 0.21966E+01
rms(prec ) = 0.23047E+01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 0.8807
1.0751 0.6862
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 1442.21779323
Ewald energy TEWEN = -26484.75774145
-Hartree energ DENC = -11634.73354651
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 1895.98717177
PAW double counting = 38526.94964889 -38319.05524499
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -5090.53070103
atomic energy EATOM = 39244.87094880
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -419.05167131 eV
energy without entropy = -419.05167131 energy(sigma->0) = -419.05167131
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 8) ---------------------------------------
POTLOK: cpu time 0.2044: real time 0.2123
SETDIJ: cpu time 0.6106: real time 0.6107
EDDIAG: cpu time 8.9312: real time 8.9320
RMM-DIIS: cpu time 37.2189: real time 37.2245
ORTHCH: cpu time 1.9816: real time 1.9818
CHARGE: cpu time 1.8551: real time 1.8558
MIXING: cpu time 0.0203: real time 0.0203
--------------------------------------------
LOOP: cpu time 50.8221: real time 50.8375
eigenvalue-minimisations : 23298
total energy-change (2. order) :-0.1132172E+02 (-0.3253043E+01)
number of electron 383.9999999 magnetization -0.7368811
augmentation part 78.0044367 magnetization -0.8235668
Broyden mixing:
rms(total) = 0.93098E+00 rms(broyden)= 0.93094E+00
rms(prec ) = 0.10147E+01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.2217
2.1025 0.9424 0.6203
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 1442.21779323
Ewald energy TEWEN = -26484.75774145
-Hartree energ DENC = -11575.20701700
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 1889.15446926
PAW double counting = 41945.34599747 -41720.07724879
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -5171.92059060
atomic energy EATOM = 39244.87094880
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -430.37338909 eV
energy without entropy = -430.37338909 energy(sigma->0) = -430.37338909
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 9) ---------------------------------------
POTLOK: cpu time 0.1838: real time 0.1859
SETDIJ: cpu time 0.6105: real time 0.6105
EDDIAG: cpu time 8.9160: real time 8.9168
RMM-DIIS: cpu time 40.4216: real time 40.4252
ORTHCH: cpu time 1.9872: real time 1.9874
CHARGE: cpu time 1.8573: real time 1.8579
MIXING: cpu time 0.0185: real time 0.0185
--------------------------------------------
LOOP: cpu time 53.9948: real time 54.0023
eigenvalue-minimisations : 25227
total energy-change (2. order) :-0.2577927E+00 (-0.6176532E+00)
number of electron 383.9999999 magnetization -0.1231270
augmentation part 77.2271351 magnetization -0.0675653
Broyden mixing:
rms(total) = 0.35801E+00 rms(broyden)= 0.35794E+00
rms(prec ) = 0.40982E+00
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.1730
2.1921 1.1007 0.7582 0.6412
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 1442.21779323
Ewald energy TEWEN = -26484.75774145
-Hartree energ DENC = -11574.32319132
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 1888.33411024
PAW double counting = 43867.75622345 -43616.04099136
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -5198.68833337
atomic energy EATOM = 39244.87094880
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -430.63118180 eV
energy without entropy = -430.63118180 energy(sigma->0) = -430.63118180
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 10) ---------------------------------------
POTLOK: cpu time 0.2036: real time 0.2094
SETDIJ: cpu time 0.6107: real time 0.6108
EDDIAG: cpu time 8.9612: real time 8.9632
RMM-DIIS: cpu time 41.1326: real time 41.1363
ORTHCH: cpu time 1.9825: real time 1.9826
CHARGE: cpu time 1.8592: real time 1.8598
MIXING: cpu time 0.0228: real time 0.0228
--------------------------------------------
LOOP: cpu time 54.7726: real time 54.7850
eigenvalue-minimisations : 25752
total energy-change (2. order) :-0.7951409E-01 (-0.1265160E+00)
number of electron 383.9999999 magnetization -0.0373632
augmentation part 76.6728644 magnetization 0.0009340
Broyden mixing:
rms(total) = 0.23279E+00 rms(broyden)= 0.23277E+00
rms(prec ) = 0.25761E+00
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.4207
2.7928 1.9453 0.9876 0.7428 0.6348
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 1442.21779323
Ewald energy TEWEN = -26484.75774145
-Hartree energ DENC = -11601.54613466
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 1889.57811160
PAW double counting = 43929.90519556 -43663.04110593
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -5187.93776304
atomic energy EATOM = 39244.87094880
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -430.71069589 eV
energy without entropy = -430.71069589 energy(sigma->0) = -430.71069589
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 11) ---------------------------------------
POTLOK: cpu time 0.1881: real time 0.1911
SETDIJ: cpu time 0.6105: real time 0.6107
EDDIAG: cpu time 8.9907: real time 8.9918
RMM-DIIS: cpu time 41.4514: real time 41.4551
ORTHCH: cpu time 2.0013: real time 2.0015
CHARGE: cpu time 1.8504: real time 1.8510
MIXING: cpu time 0.0185: real time 0.0185
--------------------------------------------
LOOP: cpu time 55.1108: real time 55.1195
eigenvalue-minimisations : 25971
total energy-change (2. order) :-0.5049282E-01 (-0.5809995E-01)
number of electron 383.9999999 magnetization -0.0624264
augmentation part 76.4552794 magnetization -0.0491149
Broyden mixing:
rms(total) = 0.79409E-01 rms(broyden)= 0.79382E-01
rms(prec ) = 0.94526E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.3712
3.1389 2.0247 1.0350 0.7860 0.6213 0.6213
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 1442.21779323
Ewald energy TEWEN = -26484.75774145
-Hartree energ DENC = -11645.81376079
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 1892.08932916
PAW double counting = 44489.68761283 -44185.45934300
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -5183.59602749
atomic energy EATOM = 39244.87094880
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -430.76118870 eV
energy without entropy = -430.76118870 energy(sigma->0) = -430.76118870
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 12) ---------------------------------------
POTLOK: cpu time 0.3035: real time 0.3097
SETDIJ: cpu time 0.6311: real time 0.6312
EDDIAG: cpu time 10.4512: real time 10.4538
RMM-DIIS: cpu time 42.8898: real time 42.8939
ORTHCH: cpu time 1.9844: real time 1.9846
CHARGE: cpu time 1.8454: real time 1.8463
MIXING: cpu time 0.0181: real time 0.0181
--------------------------------------------
LOOP: cpu time 58.1237: real time 58.1376
eigenvalue-minimisations : 26758
total energy-change (2. order) :-0.4033371E-02 (-0.1608159E-01)
number of electron 383.9999999 magnetization -0.0483778
augmentation part 76.3171913 magnetization -0.0429789
Broyden mixing:
rms(total) = 0.26782E-01 rms(broyden)= 0.26776E-01
rms(prec ) = 0.34674E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.3496
3.1953 1.9428 1.3060 0.9633 0.7059 0.7059 0.6283
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 1442.21779323
Ewald energy TEWEN = -26484.75774145
-Hartree energ DENC = -11641.74652957
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 1891.76882542
PAW double counting = 44462.16789702 -44159.56614504
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -5185.72027048
atomic energy EATOM = 39244.87094880
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -430.76522208 eV
energy without entropy = -430.76522208 energy(sigma->0) = -430.76522208
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 13) ---------------------------------------
POTLOK: cpu time 0.1885: real time 0.1910
SETDIJ: cpu time 0.6074: real time 0.6074
EDDIAG: cpu time 8.9103: real time 8.9127
RMM-DIIS: cpu time 41.6610: real time 41.6649
ORTHCH: cpu time 1.9825: real time 1.9827
CHARGE: cpu time 1.8380: real time 1.8386
MIXING: cpu time 0.0193: real time 0.0193
--------------------------------------------
LOOP: cpu time 55.2070: real time 55.2167
eigenvalue-minimisations : 25996
total energy-change (2. order) :-0.1784797E-02 (-0.6009498E-02)
number of electron 383.9999999 magnetization 0.0216306
augmentation part 76.2486413 magnetization 0.0244555
Broyden mixing:
rms(total) = 0.16440E-01 rms(broyden)= 0.16434E-01
rms(prec ) = 0.18271E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.3385
3.3722 2.1112 1.4600 1.0035 0.8094 0.6243 0.6637 0.6637
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 1442.21779323
Ewald energy TEWEN = -26484.75774145
-Hartree energ DENC = -11641.56852207
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 1891.67570581
PAW double counting = 44475.44018059 -44170.38123508
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -5188.26413670
atomic energy EATOM = 39244.87094880
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -430.76700687 eV
energy without entropy = -430.76700687 energy(sigma->0) = -430.76700687
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 14) ---------------------------------------
POTLOK: cpu time 0.2100: real time 0.2177
SETDIJ: cpu time 0.6076: real time 0.6076
EDDIAG: cpu time 8.9093: real time 8.9101
RMM-DIIS: cpu time 43.0098: real time 43.0136
ORTHCH: cpu time 1.9851: real time 1.9852
CHARGE: cpu time 1.8617: real time 1.8628
MIXING: cpu time 0.0214: real time 0.0214
--------------------------------------------
LOOP: cpu time 56.6048: real time 56.6185
eigenvalue-minimisations : 26763
total energy-change (2. order) :-0.7770108E-03 (-0.2136359E-02)
number of electron 383.9999999 magnetization 0.0275631
augmentation part 76.2051726 magnetization 0.0297733
Broyden mixing:
rms(total) = 0.86856E-02 rms(broyden)= 0.86828E-02
rms(prec ) = 0.96195E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.3364
3.5240 2.2818 1.4608 1.0723 0.8411 0.8411 0.7095 0.6483 0.6483
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 1442.21779323
Ewald energy TEWEN = -26484.75774145
-Hartree energ DENC = -11644.43650205
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 1891.79460482
PAW double counting = 44485.07242988 -44176.67587559
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -5188.85344151
atomic energy EATOM = 39244.87094880
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -430.76778388 eV
energy without entropy = -430.76778388 energy(sigma->0) = -430.76778388
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 15) ---------------------------------------
POTLOK: cpu time 0.1882: real time 0.1929
SETDIJ: cpu time 0.6313: real time 0.6313
EDDIAG: cpu time 8.9711: real time 8.9734
WARNING in EDDRMM: call to ZHEGV failed, returncode = 6 3 11
RMM-DIIS: cpu time 43.8732: real time 43.8774
ORTHCH: cpu time 1.9949: real time 1.9951
CHARGE: cpu time 1.8851: real time 1.8860
MIXING: cpu time 0.0182: real time 0.0182
--------------------------------------------
LOOP: cpu time 57.5619: real time 57.5743
eigenvalue-minimisations : 27015
total energy-change (2. order) :-0.5125098E-03 (-0.9413135E-03)
number of electron 383.9999999 magnetization 0.0118937
augmentation part 76.1799980 magnetization 0.0132780
Broyden mixing:
rms(total) = 0.65002E-02 rms(broyden)= 0.64997E-02
rms(prec ) = 0.71558E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.4516
4.2073 2.3484 1.6070 1.6070 1.0614 0.9249 0.7404 0.7404 0.6395 0.6395
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 1442.21779323
Ewald energy TEWEN = -26484.75774145
-Hartree energ DENC = -11645.60008231
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 1891.85123290
PAW double counting = 44485.68247990 -44176.31327037
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -5188.71965709
atomic energy EATOM = 39244.87094880
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -430.76829639 eV
energy without entropy = -430.76829639 energy(sigma->0) = -430.76829639
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 16) ---------------------------------------
POTLOK: cpu time 0.2044: real time 0.2109
SETDIJ: cpu time 0.6260: real time 0.6261
EDDIAG: cpu time 8.9151: real time 8.9161
WARNING in EDDRMM: call to ZHEGV failed, returncode = 8 4 21
RMM-DIIS: cpu time 42.1799: real time 42.1842
ORTHCH: cpu time 2.0184: real time 2.0186
CHARGE: cpu time 1.8456: real time 1.8476
MIXING: cpu time 0.0204: real time 0.0204
--------------------------------------------
LOOP: cpu time 55.8098: real time 55.8240
eigenvalue-minimisations : 26512
total energy-change (2. order) :-0.2377712E-03 (-0.4503834E-03)
number of electron 383.9999999 magnetization -0.0009904
augmentation part 76.1646723 magnetization 0.0001844
Broyden mixing:
rms(total) = 0.34601E-02 rms(broyden)= 0.34589E-02
rms(prec ) = 0.38609E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.4228
3.9967 2.5409 2.1149 1.3290 1.2075 0.8545 0.8545 0.7955 0.6574 0.6574
0.6425
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 1442.21779323
Ewald energy TEWEN = -26484.75774145
-Hartree energ DENC = -11647.54982756
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 1891.94249909
PAW double counting = 44501.14554258 -44189.87606615
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -5188.76168269
atomic energy EATOM = 39244.87094880
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -430.76853416 eV
energy without entropy = -430.76853416 energy(sigma->0) = -430.76853416
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 17) ---------------------------------------
POTLOK: cpu time 0.1899: real time 0.1908
SETDIJ: cpu time 0.6108: real time 0.6108
EDDIAG: cpu time 8.8756: real time 8.8774
WARNING in EDDRMM: call to ZHEGV failed, returncode = 6 3 19
WARNING in EDDRMM: call to ZHEGV failed, returncode = 6 3 10
WARNING in EDDRMM: call to ZHEGV failed, returncode = 8 4 20
WARNING in EDDRMM: call to ZHEGV failed, returncode = 8 4 10
RMM-DIIS: cpu time 40.8493: real time 40.8590
ORTHCH: cpu time 1.9906: real time 1.9908
CHARGE: cpu time 1.8671: real time 1.8686
MIXING: cpu time 0.0182: real time 0.0182
--------------------------------------------
LOOP: cpu time 54.4015: real time 54.4157
eigenvalue-minimisations : 25756
total energy-change (2. order) :-0.1525226E-03 (-0.2163815E-03)
number of electron 383.9999999 magnetization -0.0013407
augmentation part 76.1573505 magnetization -0.0002479
Broyden mixing:
rms(total) = 0.35796E-02 rms(broyden)= 0.35795E-02
rms(prec ) = 0.40464E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.4352
4.3220 2.6683 2.1376 1.3934 1.3934 1.0928 0.8790 0.7882 0.6788 0.6448
0.6448 0.5799
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 1442.21779323
Ewald energy TEWEN = -26484.75774145
-Hartree energ DENC = -11646.76470767
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 1891.90323194
PAW double counting = 44493.38676391 -44182.88677698
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -5188.73819847
atomic energy EATOM = 39244.87094880
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -430.76868669 eV
energy without entropy = -430.76868669 energy(sigma->0) = -430.76868669
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 18) ---------------------------------------
POTLOK: cpu time 0.2006: real time 0.2084
SETDIJ: cpu time 0.6129: real time 0.6130
EDDIAG: cpu time 8.7754: real time 8.7807
RMM-DIIS: cpu time 38.5734: real time 38.5769
ORTHCH: cpu time 1.9787: real time 1.9789
CHARGE: cpu time 1.8489: real time 1.8493
MIXING: cpu time 0.0188: real time 0.0188
--------------------------------------------
LOOP: cpu time 52.0087: real time 52.0260
eigenvalue-minimisations : 24281
total energy-change (2. order) :-0.7098563E-04 (-0.1100166E-03)
number of electron 383.9999999 magnetization -0.0003002
augmentation part 76.1510053 magnetization 0.0004878
Broyden mixing:
rms(total) = 0.17919E-02 rms(broyden)= 0.17919E-02
rms(prec ) = 0.19695E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.4374
4.5081 2.7162 2.1491 1.7337 1.4911 1.1118 0.8295 0.8295 0.7783 0.6343
0.6343 0.6352 0.6352
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 1442.21779323
Ewald energy TEWEN = -26484.75774145
-Hartree energ DENC = -11647.15275272
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 1891.91959759
PAW double counting = 44497.32400410 -44186.40681806
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -5188.78378916
atomic energy EATOM = 39244.87094880
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -430.76875767 eV
energy without entropy = -430.76875767 energy(sigma->0) = -430.76875767
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 19) ---------------------------------------
POTLOK: cpu time 0.1831: real time 0.1851
SETDIJ: cpu time 0.6070: real time 0.6071
EDDIAG: cpu time 8.8647: real time 8.8661
WARNING in EDDRMM: call to ZHEGV failed, returncode = 6 3 14
WARNING in EDDRMM: call to ZHEGV failed, returncode = 8 4 14
WARNING in EDDRMM: call to ZHEGV failed, returncode = 6 3 11
RMM-DIIS: cpu time 36.0637: real time 36.0684
ORTHCH: cpu time 2.0134: real time 2.0137
CHARGE: cpu time 1.8476: real time 1.8482
MIXING: cpu time 0.0188: real time 0.0188
--------------------------------------------
LOOP: cpu time 49.5984: real time 49.6074
eigenvalue-minimisations : 22394
total energy-change (2. order) :-0.4032300E-04 (-0.5795002E-04)
number of electron 383.9999999 magnetization 0.0002288
augmentation part 76.1473979 magnetization 0.0007802
Broyden mixing:
rms(total) = 0.13466E-02 rms(broyden)= 0.13466E-02
rms(prec ) = 0.14905E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.5111
4.9190 2.9466 2.4651 2.1462 1.4344 1.1138 0.9919 0.8807 0.8807 0.7960
0.6644 0.6644 0.6257 0.6257
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 1442.21779323
Ewald energy TEWEN = -26484.75774145
-Hartree energ DENC = -11647.25960031
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 1891.92445920
PAW double counting = 44498.95771614 -44187.91709696
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -5188.80527664
atomic energy EATOM = 39244.87094880
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -430.76879800 eV
energy without entropy = -430.76879800 energy(sigma->0) = -430.76879800
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 20) ---------------------------------------
POTLOK: cpu time 0.1873: real time 0.1969
SETDIJ: cpu time 0.6056: real time 0.6071
EDDIAG: cpu time 8.7935: real time 8.7943
WARNING in EDDRMM: call to ZHEGV failed, returncode = 6 3 10
RMM-DIIS: cpu time 34.9694: real time 34.9740
ORTHCH: cpu time 2.1329: real time 2.1331
CHARGE: cpu time 1.8890: real time 1.8899
MIXING: cpu time 0.0250: real time 0.0250
--------------------------------------------
LOOP: cpu time 48.6028: real time 48.6203
eigenvalue-minimisations : 21688
total energy-change (2. order) :-0.2334481E-04 (-0.3266026E-04)
number of electron 383.9999999 magnetization 0.0001013
augmentation part 76.1450262 magnetization 0.0004705
Broyden mixing:
rms(total) = 0.36895E-03 rms(broyden)= 0.36878E-03
rms(prec ) = 0.41741E-03
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.4927
4.9646 2.8949 2.5176 2.1543 1.4584 1.4584 1.0859 0.9066 0.9066 0.7775
0.6731 0.6731 0.6534 0.6331 0.6331
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 1442.21779323
Ewald energy TEWEN = -26484.75774145
-Hartree energ DENC = -11647.41697458
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 1891.93151679
PAW double counting = 44501.16287944 -44189.93631915
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -5188.84092441
atomic energy EATOM = 39244.87094880
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -430.76882134 eV
energy without entropy = -430.76882134 energy(sigma->0) = -430.76882134
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 21) ---------------------------------------
POTLOK: cpu time 0.1884: real time 0.1886
SETDIJ: cpu time 0.6098: real time 0.6098
EDDIAG: cpu time 8.9005: real time 8.9024
RMM-DIIS: cpu time 29.1535: real time 29.1566
ORTHCH: cpu time 1.9988: real time 1.9989
CHARGE: cpu time 1.8501: real time 1.8508
MIXING: cpu time 0.0202: real time 0.0202
--------------------------------------------
LOOP: cpu time 42.7212: real time 42.7275
eigenvalue-minimisations : 18018
total energy-change (2. order) :-0.1294021E-04 (-0.1809376E-04)
number of electron 383.9999999 magnetization 0.0000788
augmentation part 76.1434383 magnetization 0.0003254
Broyden mixing:
rms(total) = 0.27794E-03 rms(broyden)= 0.27789E-03
rms(prec ) = 0.31549E-03
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.5023
5.3162 2.9855 2.5774 2.2201 1.8318 1.3515 1.1698 0.9256 0.9256 0.7925
0.7102 0.7102 0.6559 0.6559 0.6233 0.5855
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 1442.21779323
Ewald energy TEWEN = -26484.75774145
-Hartree energ DENC = -11647.46534063
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 1891.93361631
PAW double counting = 44501.75090795 -44190.46747167
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -5188.85154682
atomic energy EATOM = 39244.87094880
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -430.76883428 eV
energy without entropy = -430.76883428 energy(sigma->0) = -430.76883428
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 22) ---------------------------------------
POTLOK: cpu time 0.2077: real time 0.2176
SETDIJ: cpu time 0.6093: real time 0.6094
EDDIAG: cpu time 8.8231: real time 8.8239
RMM-DIIS: cpu time 28.4551: real time 28.4576
ORTHCH: cpu time 1.9013: real time 1.9014
CHARGE: cpu time 1.8448: real time 1.8454
MIXING: cpu time 0.0186: real time 0.0186
--------------------------------------------
LOOP: cpu time 41.8599: real time 41.8741
eigenvalue-minimisations : 17535
total energy-change (2. order) :-0.7700815E-05 (-0.1072236E-04)
number of electron 383.9999999 magnetization 0.0000183
augmentation part 76.1422915 magnetization 0.0001799
Broyden mixing:
rms(total) = 0.29948E-04 rms(broyden)= 0.29633E-04
rms(prec ) = 0.32649E-04
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.5004
5.3923 2.9825 2.6051 2.6051 2.0670 1.4058 1.1462 0.9540 0.9342 0.8062
0.7343 0.7343 0.6639 0.6639 0.6328 0.6328 0.5471
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 1442.21779323
Ewald energy TEWEN = -26484.75774145
-Hartree energ DENC = -11647.52116954
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 1891.93593261
PAW double counting = 44502.49467589 -44191.14226498
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -5188.86701654
atomic energy EATOM = 39244.87094880
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -430.76884198 eV
energy without entropy = -430.76884198 energy(sigma->0) = -430.76884198
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 23) ---------------------------------------
POTLOK: cpu time 0.1802: real time 0.1823
SETDIJ: cpu time 0.6131: real time 0.6131
EDDIAG: cpu time 8.8842: real time 8.8853
WARNING in EDDRMM: call to ZHEGV failed, returncode = 6 3 21
RMM-DIIS: cpu time 25.4365: real time 25.4393
ORTHCH: cpu time 1.9591: real time 1.9593
CHARGE: cpu time 1.8527: real time 1.8532
MIXING: cpu time 0.0211: real time 0.0211
--------------------------------------------
LOOP: cpu time 38.9468: real time 38.9536
eigenvalue-minimisations : 15247
total energy-change (2. order) :-0.4522881E-05 (-0.6156643E-05)
number of electron 383.9999999 magnetization 0.0000098
augmentation part 76.1416227 magnetization 0.0001123
Broyden mixing:
rms(total) = 0.99474E-04 rms(broyden)= 0.99448E-04
rms(prec ) = 0.11027E-03
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.5123
5.7657 3.3754 2.6064 2.6064 2.0716 1.3313 1.3313 0.9678 0.9678 0.9485
0.7558 0.7558 0.7130 0.6651 0.6651 0.6220 0.6220 0.4495
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 1442.21779323
Ewald energy TEWEN = -26484.75774145
-Hartree energ DENC = -11647.51968048
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 1891.93581801
PAW double counting = 44502.49256780 -44191.14007496
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -5188.86847746
atomic energy EATOM = 39244.87094880
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -430.76884650 eV
energy without entropy = -430.76884650 energy(sigma->0) = -430.76884650
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 24) ---------------------------------------
POTLOK: cpu time 0.2009: real time 0.2086
SETDIJ: cpu time 0.6082: real time 0.6083
EDDIAG: cpu time 8.9006: real time 8.9032
RMM-DIIS: cpu time 24.4543: real time 24.4587
ORTHCH: cpu time 1.9555: real time 1.9557
CHARGE: cpu time 1.8676: real time 1.8682
MIXING: cpu time 0.0203: real time 0.0203
--------------------------------------------
LOOP: cpu time 38.0073: real time 38.0229
eigenvalue-minimisations : 14690
total energy-change (2. order) :-0.2704845E-05 (-0.3733167E-05)
number of electron 383.9999999 magnetization -0.0000040
augmentation part 76.1411241 magnetization 0.0000672
Broyden mixing:
rms(total) = 0.11628E-04 rms(broyden)= 0.11458E-04
rms(prec ) = 0.13428E-04
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.5233
5.9480 3.5342 2.6670 2.6670 2.0911 1.6293 1.3264 1.1969 0.9475 0.9475
0.7852 0.7852 0.7102 0.7102 0.6567 0.6567 0.6182 0.6182 0.4480
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 1442.21779323
Ewald energy TEWEN = -26484.75774145
-Hartree energ DENC = -11647.54136196
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 1891.93676153
PAW double counting = 44502.76109288 -44191.38303933
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -5188.87330290
atomic energy EATOM = 39244.87094880
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -430.76884921 eV
energy without entropy = -430.76884921 energy(sigma->0) = -430.76884921
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 25) ---------------------------------------
POTLOK: cpu time 0.1851: real time 0.1855
SETDIJ: cpu time 0.6089: real time 0.6091
EDDIAG: cpu time 8.8508: real time 8.8516
RMM-DIIS: cpu time 23.8545: real time 23.8583
ORTHCH: cpu time 1.9413: real time 1.9415
CHARGE: cpu time 1.8628: real time 1.8636
MIXING: cpu time 0.0197: real time 0.0197
--------------------------------------------
LOOP: cpu time 37.3231: real time 37.3293
eigenvalue-minimisations : 13405
total energy-change (2. order) :-0.1644868E-05 (-0.2287516E-05)
number of electron 383.9999999 magnetization -0.0000030
augmentation part 76.1407846 magnetization 0.0000534
Broyden mixing:
rms(total) = 0.17507E-04 rms(broyden)= 0.17455E-04
rms(prec ) = 0.18810E-04
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.5602
6.4865 3.7140 2.6368 2.6140 2.1454 1.8765 1.5594 1.2578 1.0462 1.0462
0.9261 0.7883 0.7539 0.6848 0.6848 0.6622 0.6622 0.6193 0.6033 0.4356
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 1442.21779323
Ewald energy TEWEN = -26484.75774145
-Hartree energ DENC = -11647.54760698
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 1891.93702513
PAW double counting = 44502.82459030 -44191.43947814
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -5188.87438173
atomic energy EATOM = 39244.87094880
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -430.76885085 eV
energy without entropy = -430.76885085 energy(sigma->0) = -430.76885085
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 26) ---------------------------------------
POTLOK: cpu time 0.1910: real time 0.1967
SETDIJ: cpu time 0.6084: real time 0.6084
EDDIAG: cpu time 8.7512: real time 8.7519
WARNING in EDDRMM: call to ZHEGV failed, returncode = 6 3 24
RMM-DIIS: cpu time 22.9639: real time 22.9665
ORTHCH: cpu time 2.1271: real time 2.1273
CHARGE: cpu time 1.8390: real time 1.8396
MIXING: cpu time 0.0202: real time 0.0202
--------------------------------------------
LOOP: cpu time 36.5008: real time 36.5107
eigenvalue-minimisations : 13321
total energy-change (2. order) :-0.9845535E-06 (-0.1429029E-05)
number of electron 383.9999999 magnetization 0.0000003
augmentation part 76.1405689 magnetization 0.0000412
Broyden mixing:
rms(total) = 0.43449E-04 rms(broyden)= 0.43432E-04
rms(prec ) = 0.48677E-04
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.5499
6.1636 3.6732 2.9901 2.6342 2.6342 2.0850 1.5782 1.1424 1.1424 0.9254
0.9254 0.8232 0.8232 0.7129 0.7129 0.6666 0.6666 0.6253 0.6253 0.5669
0.4316
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 1442.21779323
Ewald energy TEWEN = -26484.75774145
-Hartree energ DENC = -11647.55900685
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 1891.93751587
PAW double counting = 44502.98319910 -44191.58390131
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -5188.87765922
atomic energy EATOM = 39244.87094880
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -430.76885184 eV
energy without entropy = -430.76885184 energy(sigma->0) = -430.76885184
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 27) ---------------------------------------
POTLOK: cpu time 0.1791: real time 0.1810
SETDIJ: cpu time 0.6086: real time 0.6087
EDDIAG: cpu time 8.9096: real time 8.9113
WARNING in EDDRMM: call to ZHEGV failed, returncode = 6 3 13
RMM-DIIS: cpu time 22.5082: real time 22.5105
ORTHCH: cpu time 1.9456: real time 1.9458
--------------------------------------------
LOOP: cpu time 34.1543: real time 34.1605
eigenvalue-minimisations : 11900
total energy-change (2. order) :-0.6352784E-06 (-0.8807430E-06)
number of electron 383.9999999 magnetization 0.0000003
augmentation part 76.1405689 magnetization 0.0000412
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 1442.21779323
Ewald energy TEWEN = -26484.75774145
-Hartree energ DENC = -11647.55089511
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 1891.93716455
PAW double counting = 44502.89424149 -44191.50420320
entropy T*S EENTRO = -0.00000000
eigenvalues EBANDS = -5188.87616077
atomic energy EATOM = 39244.87094880
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -430.76885247 eV
energy without entropy = -430.76885247 energy(sigma->0) = -430.76885247
--------------------------------------------------------------------------------------------------------
average (electrostatic) potential at core
the test charge radii are 1.0397 0.7215
(the norm of the test charge is 1.0000)
1 -77.2299 2 -77.2299 3 -77.2299 4 -77.2299 5 -77.2299
6 -77.2299 7 -77.2299 8 -77.2299 9 -77.2299 10 -77.2299
11 -77.2299 12 -77.2299 13 -77.2299 14 -77.2299 15 -77.2299
16 -77.2299 17 -70.3865 18 -70.3865 19 -70.3865 20 -70.3865
21 -70.3865 22 -70.3865 23 -70.3865 24 -70.3865 25 -70.3865
26 -70.3865 27 -70.3865 28 -70.3865 29 -70.3865 30 -70.3865
31 -70.3865 32 -70.3865 33 -70.3865 34 -70.3865 35 -70.3865
36 -70.3865 37 -70.3865 38 -70.3865 39 -70.3865 40 -70.3865
41 -70.3865 42 -70.3865 43 -70.3865 44 -70.3865 45 -70.3865
46 -70.3865 47 -70.3865 48 -70.3865
E-fermi : 3.5312 XC(G=0): -10.6838 alpha+bet :-12.5227
spin component 1
k-point 1 : 0.0833 0.0833 0.0833
band No. band energies occupation
1 -53.1004 1.00000
2 -53.0863 1.00000
3 -53.0863 1.00000
4 -53.0828 1.00000
5 -53.0828 1.00000
6 -53.0765 1.00000
7 -53.0721 1.00000
8 -53.0692 1.00000
9 -53.0689 1.00000
10 -53.0680 1.00000
11 -53.0648 1.00000
12 -53.0585 1.00000
13 -53.0585 1.00000
14 -53.0550 1.00000
15 -53.0550 1.00000
16 -53.0452 1.00000
17 -29.5511 1.00000
18 -29.5367 1.00000
19 -29.5367 1.00000
20 -29.5226 1.00000
21 -29.5226 1.00000
22 -29.5223 1.00000
23 -29.5117 1.00000
24 -29.5095 1.00000
25 -29.4999 1.00000
26 -29.4326 1.00000
27 -29.4326 1.00000
28 -29.4300 1.00000
29 -29.4300 1.00000
30 -29.3957 1.00000
31 -29.3725 1.00000
32 -29.3700 1.00000
33 -29.3673 1.00000
34 -29.3645 1.00000
35 -29.3577 1.00000
36 -29.3409 1.00000
37 -29.3313 1.00000
38 -29.3313 1.00000
39 -29.3301 1.00000
40 -29.3286 1.00000
41 -29.3286 1.00000
42 -29.3245 1.00000
43 -29.3223 1.00000
44 -29.3080 1.00000
45 -29.3080 1.00000
46 -29.3065 1.00000
47 -29.3065 1.00000
48 -29.2554 1.00000
49 -29.2537 1.00000
50 -29.2415 1.00000
51 -29.2415 1.00000
52 -29.2386 1.00000
53 -29.2386 1.00000
54 -29.2321 1.00000
55 -29.2321 1.00000
56 -29.2193 1.00000
57 -29.2117 1.00000
58 -29.2102 1.00000
59 -29.2018 1.00000
60 -29.2014 1.00000
61 -29.2014 1.00000
62 -29.1904 1.00000
63 -29.1904 1.00000
64 -29.1764 1.00000
65 -14.2924 1.00000
66 -13.8095 1.00000
67 -13.7935 1.00000
68 -13.7935 1.00000
69 -13.7404 1.00000
70 -13.7404 1.00000
71 -13.6661 1.00000
72 -13.2806 1.00000
73 -13.1851 1.00000
74 -13.1019 1.00000
75 -13.0672 1.00000
76 -13.0672 1.00000
77 -13.0574 1.00000
78 -13.0574 1.00000
79 -13.0537 1.00000
80 -13.0452 1.00000
81 -12.9844 1.00000
82 -12.9657 1.00000
83 -12.8997 1.00000
84 -12.8805 1.00000
85 -12.8805 1.00000
86 -12.8201 1.00000
87 -12.8179 1.00000
88 -12.8179 1.00000
89 -12.7660 1.00000
90 -12.7660 1.00000
91 -12.7588 1.00000
92 -12.7588 1.00000
93 -12.6735 1.00000
94 -12.6515 1.00000
95 -12.6463 1.00000
96 -12.6199 1.00000
97 -1.2428 1.00000
98 -1.2428 1.00000
99 -1.2069 1.00000
100 -1.1687 1.00000
101 -1.1574 1.00000
102 -1.0670 1.00000
103 -1.0670 1.00000
104 -1.0167 1.00000
105 -0.9594 1.00000
106 -0.9309 1.00000
107 -0.9309 1.00000
108 -0.7755 1.00000
109 -0.7210 1.00000
110 -0.6873 1.00000
111 -0.6630 1.00000
112 -0.6630 1.00000
113 -0.6197 1.00000
114 -0.5412 1.00000
115 -0.5217 1.00000
116 -0.4996 1.00000
117 -0.4845 1.00000
118 -0.4764 1.00000
119 -0.4764 1.00000
120 -0.4523 1.00000
121 -0.4523 1.00000
122 -0.4323 1.00000
123 -0.4323 1.00000
124 -0.4171 1.00000
125 -0.4171 1.00000
126 -0.4028 1.00000
127 -0.3863 1.00000
128 -0.3746 1.00000
129 -0.3682 1.00000
130 -0.3266 1.00000
131 -0.3192 1.00000
132 -0.1200 1.00000
133 0.1888 1.00000
134 0.1888 1.00000
135 0.2599 1.00000
136 0.2599 1.00000
137 0.5564 1.00000
138 0.5687 1.00000
139 0.5954 1.00000
140 0.5954 1.00000
141 0.6852 1.00000
142 0.7599 1.00000
143 0.8925 1.00000
144 0.8925 1.00000
145 1.0964 1.00000
146 1.1017 1.00000
147 1.1017 1.00000
148 1.2107 1.00000
149 1.2107 1.00000
150 1.2368 1.00000
151 1.2435 1.00000
152 1.2624 1.00000
153 1.2684 1.00000
154 1.2684 1.00000
155 1.2943 1.00000
156 1.3086 1.00000
157 1.3630 1.00000
158 1.3733 1.00000
159 1.3733 1.00000
160 1.4189 1.00000
161 1.5864 1.00000
162 1.9962 1.00000
163 2.0106 1.00000
164 2.0120 1.00000
165 2.0120 1.00000
166 2.0331 1.00000
167 2.0711 1.00000
168 2.1199 1.00000
169 2.1199 1.00000
170 2.3160 1.00000
171 2.3160 1.00000
172 2.3571 1.00000
173 2.3571 1.00000
174 2.4171 1.00000
175 2.4171 1.00000
176 2.4306 1.00000
177 2.4306 1.00000
178 2.4628 1.00000
179 2.4643 1.00000
180 2.4702 1.00000
181 2.4702 1.00000
182 2.5047 1.00000
183 2.5047 1.00000
184 2.5320 1.00000
185 2.7852 1.00000
186 2.8988 1.00000
187 3.1379 1.00000
188 3.1458 1.00000
189 3.1672 1.00000
190 3.2314 1.00000
191 3.2541 1.00000
192 3.2981 1.00000
193 5.5158 0.00000
194 5.7747 0.00000
195 5.8574 0.00000
196 6.1407 0.00000
197 6.5101 0.00000
198 6.5658 0.00000
199 6.5487 0.00000
200 6.5413 0.00000
201 6.5910 0.00000
202 6.5861 0.00000
203 6.5753 0.00000
204 6.6414 0.00000
205 6.6882 0.00000
206 6.6856 0.00000
207 6.6864 0.00000
208 6.6860 0.00000
209 6.8026 0.00000
210 6.7984 0.00000
211 6.8460 0.00000
212 6.8423 0.00000
213 6.8549 0.00000
214 6.8488 0.00000
215 6.8914 0.00000
216 6.8860 0.00000
217 6.9139 0.00000
218 7.0209 0.00000
219 7.0224 0.00000
220 6.9702 0.00000
221 6.9820 0.00000
222 7.0396 0.00000
223 7.1392 0.00000
224 7.2136 0.00000
225 7.2500 0.00000
226 7.2532 0.00000
227 7.3517 0.00000
228 7.3468 0.00000
229 7.4517 0.00000
230 7.4464 0.00000
231 7.6147 0.00000
232 7.6120 0.00000
233 7.6288 0.00000
234 7.6203 0.00000
235 7.7277 0.00000
236 7.7192 0.00000
237 8.1061 0.00000
238 8.1348 0.00000
239 8.1344 0.00000
240 8.1670 0.00000
241 8.2935 0.00000
242 8.3909 0.00000
243 8.4307 0.00000
244 8.5978 0.00000
245 8.6946 0.00000
246 8.6995 0.00000
247 8.7191 0.00000
248 8.7319 0.00000
249 8.8257 0.00000
250 9.1482 0.00000
251 9.3648 0.00000
252 9.5605 0.00000
253 9.6168 0.00000
254 9.6949 0.00000
255 9.7582 0.00000
256 9.8790 0.00000
k-point 2 : 0.2500 0.0833 0.0833
band No. band energies occupation
1 -53.0991 1.00000
2 -53.0900 1.00000
3 -53.0850 1.00000
4 -53.0815 1.00000
5 -53.0797 1.00000
6 -53.0762 1.00000
7 -53.0759 1.00000
8 -53.0724 1.00000
9 -53.0689 1.00000
10 -53.0651 1.00000
11 -53.0621 1.00000
12 -53.0616 1.00000
13 -53.0592 1.00000
14 -53.0556 1.00000
15 -53.0518 1.00000
16 -53.0459 1.00000
17 -29.5503 1.00000
18 -29.5441 1.00000
19 -29.5358 1.00000
20 -29.5288 1.00000
21 -29.5219 1.00000
22 -29.5164 1.00000
23 -29.5005 1.00000
24 -29.4929 1.00000
25 -29.4836 1.00000
26 -29.4390 1.00000
27 -29.4352 1.00000
28 -29.4246 1.00000
29 -29.4161 1.00000
30 -29.4111 1.00000
31 -29.3754 1.00000
32 -29.3714 1.00000
33 -29.3687 1.00000
34 -29.3587 1.00000
35 -29.3551 1.00000
36 -29.3408 1.00000
37 -29.3398 1.00000
38 -29.3397 1.00000
39 -29.3392 1.00000
40 -29.3341 1.00000
41 -29.3264 1.00000
42 -29.3230 1.00000
43 -29.3184 1.00000
44 -29.3152 1.00000
45 -29.3130 1.00000
46 -29.3077 1.00000
47 -29.3009 1.00000
48 -29.2633 1.00000
49 -29.2528 1.00000
50 -29.2447 1.00000
51 -29.2417 1.00000
52 -29.2379 1.00000
53 -29.2361 1.00000
54 -29.2324 1.00000
55 -29.2315 1.00000
56 -29.2278 1.00000
57 -29.2205 1.00000
58 -29.2124 1.00000
59 -29.2039 1.00000
60 -29.1995 1.00000
61 -29.1943 1.00000
62 -29.1887 1.00000
63 -29.1813 1.00000
64 -29.1743 1.00000
65 -14.2288 1.00000
66 -13.8783 1.00000
67 -13.7676 1.00000
68 -13.7149 1.00000
69 -13.7099 1.00000
70 -13.6552 1.00000
71 -13.6086 1.00000
72 -13.2428 1.00000
73 -13.1900 1.00000
74 -13.1566 1.00000
75 -13.1185 1.00000
76 -13.0901 1.00000
77 -13.0832 1.00000
78 -13.0727 1.00000
79 -13.0452 1.00000
80 -13.0183 1.00000
81 -13.0127 1.00000
82 -13.0083 1.00000
83 -12.9372 1.00000
84 -12.9090 1.00000
85 -12.8763 1.00000
86 -12.8689 1.00000
87 -12.8077 1.00000
88 -12.8014 1.00000
89 -12.7794 1.00000
90 -12.7580 1.00000
91 -12.7479 1.00000
92 -12.7170 1.00000
93 -12.7147 1.00000
94 -12.6888 1.00000
95 -12.6708 1.00000
96 -12.6288 1.00000
97 -1.3750 1.00000
98 -1.3142 1.00000
99 -1.2978 1.00000
100 -1.2411 1.00000
101 -1.2350 1.00000
102 -1.1820 1.00000
103 -1.0781 1.00000
104 -1.0343 1.00000
105 -0.9454 1.00000
106 -0.9315 1.00000
107 -0.7705 1.00000
108 -0.7462 1.00000
109 -0.7338 1.00000
110 -0.7075 1.00000
111 -0.6943 1.00000
112 -0.6694 1.00000
113 -0.6297 1.00000
114 -0.6073 1.00000
115 -0.5614 1.00000
116 -0.5376 1.00000
117 -0.5193 1.00000
118 -0.4773 1.00000
119 -0.4754 1.00000
120 -0.4549 1.00000
121 -0.4544 1.00000
122 -0.4206 1.00000
123 -0.3908 1.00000
124 -0.2835 1.00000
125 -0.2786 1.00000
126 -0.2781 1.00000
127 -0.2699 1.00000
128 -0.1948 1.00000
129 -0.1119 1.00000
130 -0.0736 1.00000
131 -0.0081 1.00000
132 -0.0044 1.00000
133 0.1856 1.00000
134 0.1976 1.00000
135 0.2065 1.00000
136 0.2454 1.00000
137 0.4210 1.00000
138 0.4495 1.00000
139 0.5005 1.00000
140 0.5921 1.00000
141 0.7079 1.00000
142 0.7791 1.00000
143 0.8431 1.00000
144 0.8687 1.00000
145 0.9779 1.00000
146 1.0268 1.00000
147 1.0504 1.00000
148 1.0680 1.00000
149 1.0681 1.00000
150 1.1463 1.00000
151 1.1583 1.00000
152 1.1775 1.00000
153 1.2088 1.00000
154 1.2253 1.00000
155 1.2623 1.00000
156 1.3032 1.00000
157 1.4231 1.00000
158 1.4722 1.00000
159 1.5540 1.00000
160 1.7512 1.00000
161 1.7950 1.00000
162 1.8663 1.00000
163 1.9065 1.00000
164 1.9932 1.00000
165 2.0365 1.00000
166 2.0550 1.00000
167 2.0751 1.00000
168 2.1027 1.00000
169 2.1983 1.00000
170 2.2634 1.00000
171 2.2946 1.00000
172 2.3360 1.00000
173 2.3766 1.00000
174 2.4206 1.00000
175 2.4285 1.00000
176 2.4646 1.00000
177 2.4788 1.00000
178 2.4865 1.00000
179 2.5191 1.00000
180 2.5383 1.00000
181 2.5730 1.00000
182 2.5735 1.00000
183 2.6259 1.00000
184 2.6446 1.00000
185 2.6881 1.00000
186 2.9202 1.00000
187 2.9472 1.00000
188 2.9697 1.00000
189 3.0330 1.00000
190 3.1259 1.00000
191 3.2496 1.00000
192 3.2841 1.00000
193 5.8037 0.00000
194 5.8883 0.00000
195 6.0798 0.00000
196 6.1924 0.00000
197 6.3767 0.00000
198 6.4364 0.00000
199 6.4592 0.00000
200 6.4927 0.00000
201 6.4911 0.00000
202 6.5059 0.00000
203 6.4629 0.00000
204 6.5554 0.00000
205 6.5569 0.00000
206 6.6126 0.00000
207 6.6531 0.00000
208 6.6724 0.00000
209 6.7813 0.00000
210 6.8043 0.00000
211 6.8369 0.00000
212 6.8645 0.00000
213 6.8475 0.00000
214 6.8322 0.00000
215 6.8109 0.00000
216 6.7989 0.00000
217 6.8749 0.00000
218 6.8731 0.00000
219 6.9885 0.00000
220 6.9288 0.00000
221 6.9546 0.00000
222 7.0547 0.00000
223 6.9710 0.00000
224 6.9858 0.00000
225 7.0242 0.00000
226 7.1600 0.00000
227 7.2132 0.00000
228 7.3449 0.00000
229 7.3737 0.00000
230 7.4358 0.00000
231 7.3968 0.00000
232 7.5229 0.00000
233 7.6342 0.00000
234 7.7122 0.00000
235 7.7141 0.00000
236 7.6449 0.00000
237 7.9635 0.00000
238 7.9882 0.00000
239 8.0494 0.00000
240 8.0899 0.00000
241 8.3997 0.00000
242 8.5625 0.00000
243 8.6342 0.00000
244 8.7157 0.00000
245 8.7467 0.00000
246 8.8009 0.00000
247 8.9568 0.00000
248 9.0399 0.00000
249 9.0983 0.00000
250 9.3117 0.00000
251 9.4183 0.00000
252 9.5035 0.00000
253 9.5969 0.00000
254 9.6609 0.00000
255 9.7788 0.00000
256 9.9760 0.00000
k-point 3 : 0.4167 0.0833 0.0833
band No. band energies occupation
1 -53.0968 1.00000
2 -53.0937 1.00000
3 -53.0827 1.00000
4 -53.0795 1.00000
5 -53.0792 1.00000
6 -53.0775 1.00000
7 -53.0763 1.00000
8 -53.0760 1.00000
9 -53.0678 1.00000
10 -53.0654 1.00000
11 -53.0625 1.00000
12 -53.0605 1.00000
13 -53.0589 1.00000
14 -53.0569 1.00000
15 -53.0492 1.00000
16 -53.0472 1.00000
17 -29.5491 1.00000
18 -29.5474 1.00000
19 -29.5343 1.00000
20 -29.5322 1.00000
21 -29.5206 1.00000
22 -29.5190 1.00000
23 -29.4720 1.00000
24 -29.4715 1.00000
25 -29.4641 1.00000
26 -29.4525 1.00000
27 -29.4467 1.00000
28 -29.4394 1.00000
29 -29.4095 1.00000
30 -29.3930 1.00000
31 -29.3922 1.00000
32 -29.3653 1.00000
33 -29.3652 1.00000
34 -29.3635 1.00000
35 -29.3536 1.00000
36 -29.3536 1.00000
37 -29.3446 1.00000
38 -29.3411 1.00000
39 -29.3387 1.00000
40 -29.3368 1.00000
41 -29.3286 1.00000
42 -29.3256 1.00000
43 -29.3248 1.00000
44 -29.3237 1.00000
45 -29.3108 1.00000
46 -29.3079 1.00000
47 -29.2904 1.00000
48 -29.2765 1.00000
49 -29.2507 1.00000
50 -29.2479 1.00000
51 -29.2399 1.00000
52 -29.2351 1.00000
53 -29.2349 1.00000
54 -29.2343 1.00000
55 -29.2331 1.00000
56 -29.2288 1.00000
57 -29.2285 1.00000
58 -29.2219 1.00000
59 -29.1995 1.00000
60 -29.1982 1.00000
61 -29.1893 1.00000
62 -29.1876 1.00000
63 -29.1753 1.00000
64 -29.1731 1.00000
65 -14.1190 1.00000
66 -13.9924 1.00000
67 -13.7295 1.00000
68 -13.7122 1.00000
69 -13.5587 1.00000
70 -13.5006 1.00000
71 -13.4709 1.00000
72 -13.3714 1.00000
73 -13.3076 1.00000
74 -13.2743 1.00000
75 -13.1847 1.00000
76 -13.1295 1.00000
77 -13.0986 1.00000
78 -13.0690 1.00000
79 -13.0595 1.00000
80 -13.0121 1.00000
81 -12.9496 1.00000
82 -12.9461 1.00000
83 -12.9372 1.00000
84 -12.9289 1.00000
85 -12.8920 1.00000
86 -12.8465 1.00000
87 -12.8269 1.00000
88 -12.7872 1.00000
89 -12.7664 1.00000
90 -12.7565 1.00000
91 -12.7442 1.00000
92 -12.7423 1.00000
93 -12.7279 1.00000
94 -12.7215 1.00000
95 -12.7187 1.00000
96 -12.6745 1.00000
97 -1.3087 1.00000
98 -1.2728 1.00000
99 -1.2414 1.00000
100 -1.2214 1.00000
101 -1.2100 1.00000
102 -1.2013 1.00000
103 -1.1354 1.00000
104 -1.0811 1.00000
105 -1.0170 1.00000
106 -1.0163 1.00000
107 -1.0108 1.00000
108 -0.9448 1.00000
109 -0.9392 1.00000
110 -0.9093 1.00000
111 -0.6668 1.00000
112 -0.6560 1.00000
113 -0.6469 1.00000
114 -0.6403 1.00000
115 -0.5073 1.00000
116 -0.5026 1.00000
117 -0.5004 1.00000
118 -0.4835 1.00000
119 -0.4799 1.00000
120 -0.4697 1.00000
121 -0.4524 1.00000
122 -0.4315 1.00000
123 -0.3269 1.00000
124 -0.2863 1.00000
125 -0.1725 1.00000
126 -0.0977 1.00000
127 -0.0975 1.00000
128 -0.0254 1.00000
129 -0.0093 1.00000
130 0.0846 1.00000
131 0.2187 1.00000
132 0.2286 1.00000
133 0.2805 1.00000
134 0.2991 1.00000
135 0.3283 1.00000
136 0.4797 1.00000
137 0.5159 1.00000
138 0.5956 1.00000
139 0.6801 1.00000
140 0.6862 1.00000
141 0.7038 1.00000
142 0.7466 1.00000
143 0.7508 1.00000
144 0.8012 1.00000
145 0.8528 1.00000
146 0.8701 1.00000
147 0.9597 1.00000
148 1.0339 1.00000
149 1.0424 1.00000
150 1.0702 1.00000
151 1.1347 1.00000
152 1.1574 1.00000
153 1.1672 1.00000
154 1.1813 1.00000
155 1.2267 1.00000
156 1.3088 1.00000
157 1.3637 1.00000
158 1.4414 1.00000
159 1.4444 1.00000
160 1.4641 1.00000
161 1.7492 1.00000
162 1.7579 1.00000
163 1.8160 1.00000
164 1.8811 1.00000
165 1.9053 1.00000
166 2.0472 1.00000
167 2.0697 1.00000
168 2.1064 1.00000
169 2.1378 1.00000
170 2.2335 1.00000
171 2.3239 1.00000
172 2.4172 1.00000
173 2.4311 1.00000
174 2.4550 1.00000
175 2.4587 1.00000
176 2.5267 1.00000
177 2.5533 1.00000
178 2.5843 1.00000
179 2.6107 1.00000
180 2.6132 1.00000
181 2.7015 1.00000
182 2.7273 1.00000
183 2.7421 1.00000
184 2.7498 1.00000
185 2.7912 1.00000
186 2.8428 1.00000
187 2.9021 1.00000
188 2.9318 1.00000
189 2.9571 1.00000
190 2.9617 1.00000
191 3.1508 1.00000
192 3.1763 1.00000
193 6.0298 0.00000
194 6.2131 0.00000
195 6.2007 0.00000
196 6.2979 0.00000
197 6.3728 0.00000
198 6.3803 0.00000
199 6.3759 0.00000
200 6.4224 0.00000
201 6.4273 0.00000
202 6.4509 0.00000
203 6.3632 0.00000
204 6.4281 0.00000
205 6.4478 0.00000
206 6.4905 0.00000
207 6.5274 0.00000
208 6.5516 0.00000
209 6.6182 0.00000
210 6.5198 0.00000
211 6.6755 0.00000
212 6.7854 0.00000
213 6.7806 0.00000
214 6.8158 0.00000
215 6.7949 0.00000
216 6.8332 0.00000
217 6.8311 0.00000
218 6.8231 0.00000
219 6.8589 0.00000
220 6.8954 0.00000
221 6.9920 0.00000
222 6.9407 0.00000
223 6.9607 0.00000
224 7.0726 0.00000
225 6.9804 0.00000
226 7.0079 0.00000
227 7.0991 0.00000
228 7.1253 0.00000
229 7.4720 0.00000
230 7.5538 0.00000
231 7.6033 0.00000
232 7.6084 0.00000
233 7.4854 0.00000
234 7.5853 0.00000
235 7.7388 0.00000
236 7.7532 0.00000
237 7.7795 0.00000
238 7.7979 0.00000
239 7.8974 0.00000
240 7.9459 0.00000
241 8.4726 0.00000
242 8.5514 0.00000
243 8.6283 0.00000
244 8.6670 0.00000
245 9.0324 0.00000
246 9.0609 0.00000
247 9.1632 0.00000
248 9.1931 0.00000
249 9.2237 0.00000
250 9.3270 0.00000
251 9.3840 0.00000
252 9.5214 0.00000
253 9.6110 0.00000
254 9.8175 0.00000
255 9.9964 0.00000
256 10.0722 0.00000
k-point 4 : 0.2500 0.2500 0.0833
band No. band energies occupation
1 -53.0979 1.00000
2 -53.0888 1.00000
3 -53.0888 1.00000
4 -53.0796 1.00000
5 -53.0785 1.00000
6 -53.0785 1.00000
7 -53.0757 1.00000
8 -53.0704 1.00000
9 -53.0689 1.00000
10 -53.0676 1.00000
11 -53.0628 1.00000
12 -53.0628 1.00000
13 -53.0584 1.00000
14 -53.0524 1.00000
15 -53.0524 1.00000
16 -53.0465 1.00000
17 -29.5496 1.00000
18 -29.5432 1.00000
19 -29.5432 1.00000
20 -29.5358 1.00000
21 -29.5005 1.00000
22 -29.5001 1.00000
23 -29.5001 1.00000
24 -29.4939 1.00000
25 -29.4679 1.00000
26 -29.4331 1.00000
27 -29.4331 1.00000
28 -29.4208 1.00000
29 -29.4208 1.00000
30 -29.4189 1.00000
31 -29.3934 1.00000
32 -29.3700 1.00000
33 -29.3635 1.00000
34 -29.3556 1.00000
35 -29.3482 1.00000
36 -29.3462 1.00000
37 -29.3416 1.00000
38 -29.3416 1.00000
39 -29.3373 1.00000
40 -29.3373 1.00000
41 -29.3362 1.00000
42 -29.3306 1.00000
43 -29.3173 1.00000
44 -29.3152 1.00000
45 -29.3152 1.00000
46 -29.3067 1.00000
47 -29.3067 1.00000
48 -29.2690 1.00000
49 -29.2540 1.00000
50 -29.2458 1.00000
51 -29.2458 1.00000
52 -29.2352 1.00000
53 -29.2347 1.00000
54 -29.2347 1.00000
55 -29.2318 1.00000
56 -29.2307 1.00000
57 -29.2163 1.00000
58 -29.2122 1.00000
59 -29.2105 1.00000
60 -29.2105 1.00000
61 -29.1862 1.00000
62 -29.1796 1.00000
63 -29.1796 1.00000
64 -29.1724 1.00000
65 -14.1629 1.00000
66 -13.7977 1.00000
67 -13.7977 1.00000
68 -13.7060 1.00000
69 -13.6289 1.00000
70 -13.6289 1.00000
71 -13.5705 1.00000
72 -13.3119 1.00000
73 -13.2028 1.00000
74 -13.1303 1.00000
75 -13.1070 1.00000
76 -13.0527 1.00000
77 -13.0527 1.00000
78 -13.0502 1.00000
79 -13.0489 1.00000
80 -13.0419 1.00000
81 -13.0419 1.00000
82 -13.0046 1.00000
83 -13.0046 1.00000
84 -12.9956 1.00000
85 -12.8963 1.00000
86 -12.8963 1.00000
87 -12.8705 1.00000
88 -12.7845 1.00000
89 -12.7734 1.00000
90 -12.7725 1.00000
91 -12.7725 1.00000
92 -12.7226 1.00000
93 -12.7042 1.00000
94 -12.7036 1.00000
95 -12.7036 1.00000
96 -12.6189 1.00000
97 -1.3720 1.00000
98 -1.3665 1.00000
99 -1.3665 1.00000
100 -1.3186 1.00000
101 -1.3045 1.00000
102 -1.2511 1.00000
103 -1.2511 1.00000
104 -1.1247 1.00000
105 -0.8633 1.00000
106 -0.7993 1.00000
107 -0.7748 1.00000
108 -0.7387 1.00000
109 -0.7287 1.00000
110 -0.7287 1.00000
111 -0.6952 1.00000
112 -0.6952 1.00000
113 -0.6804 1.00000
114 -0.6804 1.00000
115 -0.6718 1.00000
116 -0.6408 1.00000
117 -0.4330 1.00000
118 -0.3769 1.00000
119 -0.3769 1.00000
120 -0.3653 1.00000
121 -0.2462 1.00000
122 -0.2462 1.00000
123 -0.2379 1.00000
124 -0.2214 1.00000
125 -0.1865 1.00000
126 -0.0943 1.00000
127 -0.0645 1.00000
128 -0.0645 1.00000
129 -0.0150 1.00000
130 -0.0084 1.00000
131 0.0009 1.00000
132 0.0550 1.00000
133 0.2013 1.00000
134 0.2013 1.00000
135 0.2280 1.00000
136 0.2280 1.00000
137 0.3564 1.00000
138 0.4307 1.00000
139 0.4307 1.00000
140 0.5064 1.00000
141 0.5593 1.00000
142 0.5789 1.00000
143 0.8110 1.00000
144 0.8110 1.00000
145 0.9209 1.00000
146 0.9209 1.00000
147 0.9612 1.00000
148 0.9789 1.00000
149 1.0656 1.00000
150 1.1186 1.00000
151 1.1186 1.00000
152 1.1765 1.00000
153 1.2546 1.00000
154 1.2546 1.00000
155 1.3819 1.00000
156 1.4839 1.00000
157 1.4977 1.00000
158 1.4977 1.00000
159 1.5418 1.00000
160 1.7267 1.00000
161 1.7732 1.00000
162 1.8055 1.00000
163 2.0095 1.00000
164 2.0095 1.00000
165 2.1226 1.00000
166 2.1226 1.00000
167 2.1278 1.00000
168 2.1461 1.00000
169 2.1957 1.00000
170 2.1957 1.00000
171 2.1958 1.00000
172 2.2664 1.00000
173 2.2699 1.00000
174 2.2699 1.00000
175 2.2754 1.00000
176 2.3768 1.00000
177 2.5470 1.00000
178 2.5470 1.00000
179 2.5966 1.00000
180 2.6238 1.00000
181 2.6238 1.00000
182 2.7059 1.00000
183 2.7059 1.00000
184 2.7768 1.00000
185 2.7831 1.00000
186 2.7831 1.00000
187 2.8334 1.00000
188 2.8892 1.00000
189 3.0248 1.00000
190 3.1276 1.00000
191 3.1963 1.00000
192 3.2669 1.00000
193 6.0316 0.00000
194 6.0902 0.00000
195 6.1172 0.00000
196 6.2091 0.00000
197 6.3676 0.00000
198 6.3828 0.00000
199 6.3824 0.00000
200 6.3503 0.00000
201 6.3452 0.00000
202 6.4895 0.00000
203 6.5315 0.00000
204 6.5306 0.00000
205 6.5366 0.00000
206 6.5467 0.00000
207 6.5418 0.00000
208 6.6612 0.00000
209 6.6785 0.00000
210 6.6757 0.00000
211 6.8199 0.00000
212 6.8187 0.00000
213 6.8431 0.00000
214 6.7781 0.00000
215 6.7709 0.00000
216 6.8513 0.00000
217 6.8584 0.00000
218 6.8615 0.00000
219 6.8561 0.00000
220 6.8762 0.00000
221 6.9343 0.00000
222 6.9282 0.00000
223 7.0239 0.00000
224 6.9934 0.00000
225 6.8751 0.00000
226 7.0492 0.00000
227 7.0099 0.00000
228 7.2112 0.00000
229 7.2117 0.00000
230 7.2270 0.00000
231 7.4158 0.00000
232 7.4129 0.00000
233 7.5021 0.00000
234 7.4999 0.00000
235 7.6703 0.00000
236 7.6686 0.00000
237 7.8189 0.00000
238 7.8975 0.00000
239 7.8967 0.00000
240 8.0157 0.00000
241 8.6920 0.00000
242 8.7274 0.00000
243 8.8451 0.00000
244 8.8884 0.00000
245 8.9097 0.00000
246 8.9232 0.00000
247 8.9407 0.00000
248 9.1927 0.00000
249 9.3543 0.00000
250 9.4205 0.00000
251 9.4452 0.00000
252 9.5024 0.00000
253 9.6059 0.00000
254 9.7316 0.00000
255 9.8796 0.00000
256 10.0905 0.00000
k-point 5 : 0.4167 0.2500 0.0833
band No. band energies occupation
1 -53.0956 1.00000
2 -53.0924 1.00000
3 -53.0865 1.00000
4 -53.0833 1.00000
5 -53.0764 1.00000
6 -53.0762 1.00000
7 -53.0754 1.00000
8 -53.0732 1.00000
9 -53.0681 1.00000
10 -53.0660 1.00000
11 -53.0659 1.00000
12 -53.0640 1.00000
13 -53.0557 1.00000
14 -53.0537 1.00000
15 -53.0498 1.00000
16 -53.0478 1.00000
17 -29.5483 1.00000
18 -29.5465 1.00000
19 -29.5416 1.00000
20 -29.5394 1.00000
21 -29.4996 1.00000
22 -29.4992 1.00000
23 -29.4731 1.00000
24 -29.4717 1.00000
25 -29.4503 1.00000
26 -29.4487 1.00000
27 -29.4414 1.00000
28 -29.4316 1.00000
29 -29.4217 1.00000
30 -29.4090 1.00000
31 -29.3977 1.00000
32 -29.3707 1.00000
33 -29.3639 1.00000
34 -29.3583 1.00000
35 -29.3523 1.00000
36 -29.3510 1.00000
37 -29.3439 1.00000
38 -29.3406 1.00000
39 -29.3378 1.00000
40 -29.3357 1.00000
41 -29.3340 1.00000
42 -29.3330 1.00000
43 -29.3286 1.00000
44 -29.3184 1.00000
45 -29.3155 1.00000
46 -29.3148 1.00000
47 -29.2956 1.00000
48 -29.2815 1.00000
49 -29.2527 1.00000
50 -29.2496 1.00000
51 -29.2452 1.00000
52 -29.2414 1.00000
53 -29.2325 1.00000
54 -29.2316 1.00000
55 -29.2307 1.00000
56 -29.2272 1.00000
57 -29.2238 1.00000
58 -29.2202 1.00000
59 -29.2100 1.00000
60 -29.2091 1.00000
61 -29.1808 1.00000
62 -29.1788 1.00000
63 -29.1737 1.00000
64 -29.1714 1.00000
65 -14.0487 1.00000
66 -13.9166 1.00000
67 -13.6533 1.00000
68 -13.6476 1.00000
69 -13.6262 1.00000
70 -13.4776 1.00000
71 -13.4727 1.00000
72 -13.4532 1.00000
73 -13.2778 1.00000
74 -13.2610 1.00000
75 -13.1412 1.00000
76 -13.0829 1.00000
77 -13.0764 1.00000
78 -13.0550 1.00000
79 -13.0512 1.00000
80 -13.0231 1.00000
81 -13.0119 1.00000
82 -12.9949 1.00000
83 -12.9677 1.00000
84 -12.9308 1.00000
85 -12.9053 1.00000
86 -12.9032 1.00000
87 -12.8699 1.00000
88 -12.8405 1.00000
89 -12.8283 1.00000
90 -12.7969 1.00000
91 -12.7591 1.00000
92 -12.7522 1.00000
93 -12.7385 1.00000
94 -12.7159 1.00000
95 -12.6800 1.00000
96 -12.6454 1.00000
97 -1.3513 1.00000
98 -1.3513 1.00000
99 -1.3329 1.00000
100 -1.3000 1.00000
101 -1.2837 1.00000
102 -1.2455 1.00000
103 -1.2209 1.00000
104 -1.0917 1.00000
105 -1.0716 1.00000
106 -1.0319 1.00000
107 -1.0159 1.00000
108 -0.9436 1.00000
109 -0.8186 1.00000
110 -0.7687 1.00000
111 -0.7337 1.00000
112 -0.7109 1.00000
113 -0.6997 1.00000
114 -0.6926 1.00000
115 -0.6852 1.00000
116 -0.6610 1.00000
117 -0.3688 1.00000
118 -0.3615 1.00000
119 -0.2929 1.00000
120 -0.2408 1.00000
121 -0.1877 1.00000
122 -0.1465 1.00000
123 -0.1287 1.00000
124 -0.1282 1.00000
125 -0.0640 1.00000
126 -0.0613 1.00000
127 -0.0500 1.00000
128 0.0016 1.00000
129 0.0293 1.00000
130 0.1750 1.00000
131 0.2378 1.00000
132 0.2485 1.00000
133 0.2655 1.00000
134 0.2776 1.00000
135 0.3610 1.00000
136 0.4929 1.00000
137 0.5015 1.00000
138 0.5378 1.00000
139 0.5477 1.00000
140 0.6152 1.00000
141 0.6514 1.00000
142 0.6518 1.00000
143 0.6902 1.00000
144 0.7327 1.00000
145 0.7527 1.00000
146 0.7998 1.00000
147 0.8042 1.00000
148 0.8558 1.00000
149 0.9490 1.00000
150 0.9531 1.00000
151 1.2351 1.00000
152 1.2804 1.00000
153 1.2996 1.00000
154 1.3151 1.00000
155 1.3222 1.00000
156 1.3548 1.00000
157 1.4549 1.00000
158 1.4860 1.00000
159 1.5079 1.00000
160 1.5654 1.00000
161 1.6512 1.00000
162 1.6787 1.00000
163 1.7629 1.00000
164 1.8067 1.00000
165 1.9373 1.00000
166 1.9515 1.00000
167 2.0265 1.00000
168 2.1877 1.00000
169 2.2033 1.00000
170 2.2295 1.00000
171 2.2612 1.00000
172 2.2740 1.00000
173 2.2870 1.00000
174 2.4128 1.00000
175 2.4381 1.00000
176 2.4616 1.00000
177 2.5919 1.00000
178 2.6163 1.00000
179 2.6346 1.00000
180 2.6375 1.00000
181 2.6633 1.00000
182 2.6987 1.00000
183 2.7481 1.00000
184 2.7957 1.00000
185 2.8290 1.00000
186 2.9243 1.00000
187 2.9293 1.00000
188 3.0008 1.00000
189 3.0096 1.00000
190 3.0306 1.00000
191 3.1156 1.00000
192 3.1757 1.00000
193 6.1657 0.00000
194 6.2445 0.00000
195 6.2557 0.00000
196 6.3060 0.00000
197 6.3079 0.00000
198 6.3127 0.00000
199 6.3597 0.00000
200 6.3915 0.00000
201 6.3275 0.00000
202 6.4196 0.00000
203 6.4533 0.00000
204 6.4696 0.00000
205 6.4784 0.00000
206 6.4529 0.00000
207 6.4745 0.00000
208 6.4820 0.00000
209 6.4999 0.00000
210 6.7201 0.00000
211 6.7693 0.00000
212 6.7730 0.00000
213 6.7014 0.00000
214 6.8057 0.00000
215 6.8071 0.00000
216 6.7079 0.00000
217 6.8645 0.00000
218 6.8515 0.00000
219 6.8689 0.00000
220 6.8394 0.00000
221 6.8378 0.00000
222 6.9117 0.00000
223 6.9346 0.00000
224 6.9484 0.00000
225 6.9615 0.00000
226 6.7849 0.00000
227 6.8302 0.00000
228 7.1071 0.00000
229 7.2028 0.00000
230 7.3573 0.00000
231 7.3696 0.00000
232 7.3666 0.00000
233 7.5177 0.00000
234 7.5341 0.00000
235 7.5518 0.00000
236 7.5923 0.00000
237 7.6820 0.00000
238 7.7351 0.00000
239 7.7325 0.00000
240 7.8742 0.00000
241 8.7816 0.00000
242 8.7884 0.00000
243 8.8364 0.00000
244 8.8554 0.00000
245 9.0741 0.00000
246 9.1283 0.00000
247 9.1890 0.00000
248 9.2451 0.00000
249 9.2679 0.00000
250 9.3693 0.00000
251 9.5207 0.00000
252 9.5609 0.00000
253 9.7211 0.00000
254 9.7984 0.00000
255 10.0070 0.00000
256 10.1387 0.00000
k-point 6 : 0.4167 0.4167 0.0833
band No. band energies occupation
1 -53.0933 1.00000
2 -53.0901 1.00000
3 -53.0901 1.00000
4 -53.0869 1.00000
5 -53.0743 1.00000
6 -53.0743 1.00000
7 -53.0741 1.00000
8 -53.0723 1.00000
9 -53.0683 1.00000
10 -53.0678 1.00000
11 -53.0670 1.00000
12 -53.0670 1.00000
13 -53.0531 1.00000
14 -53.0511 1.00000
15 -53.0511 1.00000
16 -53.0491 1.00000
17 -29.5470 1.00000
18 -29.5451 1.00000
19 -29.5451 1.00000
20 -29.5430 1.00000
21 -29.4784 1.00000
22 -29.4729 1.00000
23 -29.4729 1.00000
24 -29.4667 1.00000
25 -29.4493 1.00000
26 -29.4436 1.00000
27 -29.4436 1.00000
28 -29.4316 1.00000
29 -29.4284 1.00000
30 -29.4094 1.00000
31 -29.4094 1.00000
32 -29.3860 1.00000
33 -29.3592 1.00000
34 -29.3513 1.00000
35 -29.3496 1.00000
36 -29.3496 1.00000
37 -29.3456 1.00000
38 -29.3456 1.00000
39 -29.3444 1.00000
40 -29.3398 1.00000
41 -29.3382 1.00000
42 -29.3267 1.00000
43 -29.3267 1.00000
44 -29.3222 1.00000
45 -29.3206 1.00000
46 -29.3066 1.00000
47 -29.3066 1.00000
48 -29.2927 1.00000
49 -29.2526 1.00000
50 -29.2497 1.00000
51 -29.2497 1.00000
52 -29.2467 1.00000
53 -29.2286 1.00000
54 -29.2282 1.00000
55 -29.2282 1.00000
56 -29.2251 1.00000
57 -29.2226 1.00000
58 -29.2187 1.00000
59 -29.2187 1.00000
60 -29.2177 1.00000
61 -29.1752 1.00000
62 -29.1729 1.00000
63 -29.1729 1.00000
64 -29.1707 1.00000
65 -13.9259 1.00000
66 -13.7826 1.00000
67 -13.7826 1.00000
68 -13.6233 1.00000
69 -13.5229 1.00000
70 -13.4715 1.00000
71 -13.4715 1.00000
72 -13.4040 1.00000
73 -13.3042 1.00000
74 -13.2460 1.00000
75 -13.2460 1.00000
76 -13.2120 1.00000
77 -13.0739 1.00000
78 -13.0302 1.00000
79 -13.0108 1.00000
80 -13.0108 1.00000
81 -12.9589 1.00000
82 -12.9589 1.00000
83 -12.9531 1.00000
84 -12.9449 1.00000
85 -12.9244 1.00000
86 -12.9244 1.00000
87 -12.9073 1.00000
88 -12.9016 1.00000
89 -12.8346 1.00000
90 -12.8286 1.00000
91 -12.8286 1.00000
92 -12.8010 1.00000
93 -12.7245 1.00000
94 -12.6918 1.00000
95 -12.6918 1.00000
96 -12.6610 1.00000
97 -1.3340 1.00000
98 -1.2848 1.00000
99 -1.2848 1.00000
100 -1.2805 1.00000
101 -1.2583 1.00000
102 -1.2583 1.00000
103 -1.2484 1.00000
104 -1.1146 1.00000
105 -1.0730 1.00000
106 -1.0663 1.00000
107 -1.0327 1.00000
108 -1.0314 1.00000
109 -1.0314 1.00000
110 -0.9373 1.00000
111 -0.9373 1.00000
112 -0.8877 1.00000
113 -0.7687 1.00000
114 -0.7223 1.00000
115 -0.7223 1.00000
116 -0.6879 1.00000
117 -0.2308 1.00000
118 -0.2308 1.00000
119 -0.1912 1.00000
120 -0.1516 1.00000
121 -0.1430 1.00000
122 -0.1205 1.00000
123 -0.0047 1.00000
124 -0.0047 1.00000
125 -0.0023 1.00000
126 0.0470 1.00000
127 0.0470 1.00000
128 0.1740 1.00000
129 0.2734 1.00000
130 0.3517 1.00000
131 0.3894 1.00000
132 0.3894 1.00000
133 0.4385 1.00000
134 0.4385 1.00000
135 0.4860 1.00000
136 0.5065 1.00000
137 0.5737 1.00000
138 0.6141 1.00000
139 0.6141 1.00000
140 0.6281 1.00000
141 0.6286 1.00000
142 0.6627 1.00000
143 0.6689 1.00000
144 0.6689 1.00000
145 0.6806 1.00000
146 0.7428 1.00000
147 0.7428 1.00000
148 0.7568 1.00000
149 0.9811 1.00000
150 0.9867 1.00000
151 0.9867 1.00000
152 1.1123 1.00000
153 1.3011 1.00000
154 1.3138 1.00000
155 1.3357 1.00000
156 1.3357 1.00000
157 1.3519 1.00000
158 1.4484 1.00000
159 1.4809 1.00000
160 1.4809 1.00000
161 1.5163 1.00000
162 1.5163 1.00000
163 1.6226 1.00000
164 1.6618 1.00000
165 1.8772 1.00000
166 1.9740 1.00000
167 1.9740 1.00000
168 2.0428 1.00000
169 2.1981 1.00000
170 2.2126 1.00000
171 2.2443 1.00000
172 2.2443 1.00000
173 2.3218 1.00000
174 2.3218 1.00000
175 2.3284 1.00000
176 2.5259 1.00000
177 2.6105 1.00000
178 2.7016 1.00000
179 2.7016 1.00000
180 2.7173 1.00000
181 2.7235 1.00000
182 2.8084 1.00000
183 2.8084 1.00000
184 2.8489 1.00000
185 2.9390 1.00000
186 2.9390 1.00000
187 2.9540 1.00000
188 3.0500 1.00000
189 3.0500 1.00000
190 3.0649 1.00000
191 3.0876 1.00000
192 3.1342 1.00000
193 6.2283 0.00000
194 6.2528 0.00000
195 6.2523 0.00000
196 6.2620 0.00000
197 6.2707 0.00000
198 6.2862 0.00000
199 6.2809 0.00000
200 6.3425 0.00000
201 6.3467 0.00000
202 6.4214 0.00000
203 6.4202 0.00000
204 6.3971 0.00000
205 6.3995 0.00000
206 6.3903 0.00000
207 6.4538 0.00000
208 6.4334 0.00000
209 6.6622 0.00000
210 6.7608 0.00000
211 6.7636 0.00000
212 6.7547 0.00000
213 6.7702 0.00000
214 6.6549 0.00000
215 6.7904 0.00000
216 6.6641 0.00000
217 6.7912 0.00000
218 6.6355 0.00000
219 6.7857 0.00000
220 6.7824 0.00000
221 6.8954 0.00000
222 6.9030 0.00000
223 6.8983 0.00000
224 6.5911 0.00000
225 6.9346 0.00000
226 7.0568 0.00000
227 7.0527 0.00000
228 7.0926 0.00000
229 7.1263 0.00000
230 7.2899 0.00000
231 7.2866 0.00000
232 7.3368 0.00000
233 7.3448 0.00000
234 7.3412 0.00000
235 7.4273 0.00000
236 7.4980 0.00000
237 7.5108 0.00000
238 7.5851 0.00000
239 7.5806 0.00000
240 7.7317 0.00000
241 8.9002 0.00000
242 8.9878 0.00000
243 8.9902 0.00000
244 9.0590 0.00000
245 9.0832 0.00000
246 9.0912 0.00000
247 9.1757 0.00000
248 9.2049 0.00000
249 9.2827 0.00000
250 9.3429 0.00000
251 9.4086 0.00000
252 9.5552 0.00000
253 9.9662 0.00000
254 10.0638 0.00000
255 10.1540 0.00000
256 10.2238 0.00000
k-point 7 : 0.0833 0.0833 0.2500
band No. band energies occupation
1 -53.0985 1.00000
2 -53.0859 1.00000
3 -53.0859 1.00000
4 -53.0835 1.00000
5 -53.0833 1.00000
6 -53.0833 1.00000
7 -53.0718 1.00000
8 -53.0698 1.00000
9 -53.0670 1.00000
10 -53.0651 1.00000
11 -53.0622 1.00000
12 -53.0580 1.00000
13 -53.0580 1.00000
14 -53.0554 1.00000
15 -53.0554 1.00000
16 -53.0471 1.00000
17 -29.5389 1.00000
18 -29.5322 1.00000
19 -29.5322 1.00000
20 -29.5212 1.00000
21 -29.5212 1.00000
22 -29.5211 1.00000
23 -29.5140 1.00000
24 -29.5074 1.00000
25 -29.5010 1.00000
26 -29.4406 1.00000
27 -29.4401 1.00000
28 -29.4401 1.00000
29 -29.4371 1.00000
30 -29.4371 1.00000
31 -29.3730 1.00000
32 -29.3722 1.00000
33 -29.3651 1.00000
34 -29.3640 1.00000
35 -29.3460 1.00000
36 -29.3403 1.00000
37 -29.3311 1.00000
38 -29.3311 1.00000
39 -29.3291 1.00000
40 -29.3291 1.00000
41 -29.3282 1.00000
42 -29.3258 1.00000
43 -29.3003 1.00000
44 -29.3003 1.00000
45 -29.3000 1.00000
46 -29.3000 1.00000
47 -29.2923 1.00000
48 -29.2519 1.00000
49 -29.2501 1.00000
50 -29.2410 1.00000
51 -29.2410 1.00000
52 -29.2388 1.00000
53 -29.2388 1.00000
54 -29.2345 1.00000
55 -29.2341 1.00000
56 -29.2184 1.00000
57 -29.2133 1.00000
58 -29.2085 1.00000
59 -29.2029 1.00000
60 -29.2028 1.00000
61 -29.2028 1.00000
62 -29.1944 1.00000
63 -29.1944 1.00000
64 -29.1892 1.00000
65 -14.2541 1.00000
66 -13.9497 1.00000
67 -13.7862 1.00000
68 -13.7862 1.00000
69 -13.7473 1.00000
70 -13.7473 1.00000
71 -13.5301 1.00000
72 -13.2840 1.00000
73 -13.2059 1.00000
74 -13.1515 1.00000
75 -13.0665 1.00000
76 -13.0665 1.00000
77 -13.0593 1.00000
78 -13.0593 1.00000
79 -13.0476 1.00000
80 -13.0032 1.00000
81 -12.9854 1.00000
82 -12.9478 1.00000
83 -12.9057 1.00000
84 -12.8779 1.00000
85 -12.8779 1.00000
86 -12.8400 1.00000
87 -12.8344 1.00000
88 -12.8344 1.00000
89 -12.7588 1.00000
90 -12.7588 1.00000
91 -12.7511 1.00000
92 -12.7511 1.00000
93 -12.6708 1.00000
94 -12.6565 1.00000
95 -12.6404 1.00000
96 -12.6227 1.00000
97 -1.2293 1.00000
98 -1.2293 1.00000
99 -1.1763 1.00000
100 -1.1529 1.00000
101 -1.1245 1.00000
102 -1.1159 1.00000
103 -1.1159 1.00000
104 -1.0519 1.00000
105 -0.8744 1.00000
106 -0.8685 1.00000
107 -0.8685 1.00000
108 -0.8145 1.00000
109 -0.7131 1.00000
110 -0.6974 1.00000
111 -0.6974 1.00000
112 -0.6656 1.00000
113 -0.5759 1.00000
114 -0.5364 1.00000
115 -0.5156 1.00000
116 -0.5127 1.00000
117 -0.4801 1.00000
118 -0.4409 1.00000
119 -0.4388 1.00000
120 -0.4388 1.00000
121 -0.4293 1.00000
122 -0.4293 1.00000
123 -0.4188 1.00000
124 -0.4188 1.00000
125 -0.3982 1.00000
126 -0.3982 1.00000
127 -0.3925 1.00000
128 -0.3850 1.00000
129 -0.3792 1.00000
130 -0.3561 1.00000
131 -0.3163 1.00000
132 -0.1793 1.00000
133 0.0782 1.00000
134 0.0782 1.00000
135 0.0822 1.00000
136 0.0822 1.00000
137 0.3830 1.00000
138 0.4267 1.00000
139 0.5697 1.00000
140 0.6056 1.00000
141 0.8111 1.00000
142 0.8111 1.00000
143 1.0476 1.00000
144 1.0476 1.00000
145 1.1086 1.00000
146 1.1086 1.00000
147 1.1553 1.00000
148 1.1553 1.00000
149 1.2303 1.00000
150 1.2346 1.00000
151 1.2788 1.00000
152 1.2941 1.00000
153 1.3143 1.00000
154 1.3143 1.00000
155 1.3652 1.00000
156 1.3773 1.00000
157 1.3773 1.00000
158 1.4380 1.00000
159 1.4788 1.00000
160 1.6597 1.00000
161 1.7428 1.00000
162 1.7627 1.00000
163 1.7627 1.00000
164 1.8768 1.00000
165 1.8768 1.00000
166 1.9309 1.00000
167 2.0433 1.00000
168 2.0667 1.00000
169 2.1473 1.00000
170 2.3548 1.00000
171 2.3651 1.00000
172 2.4036 1.00000
173 2.4036 1.00000
174 2.4110 1.00000
175 2.4110 1.00000
176 2.4246 1.00000
177 2.4246 1.00000
178 2.4351 1.00000
179 2.4351 1.00000
180 2.4888 1.00000
181 2.5833 1.00000
182 2.5833 1.00000
183 2.5865 1.00000
184 2.5865 1.00000
185 2.8707 1.00000
186 2.9525 1.00000
187 3.0948 1.00000
188 3.1052 1.00000
189 3.1288 1.00000
190 3.1323 1.00000
191 3.1948 1.00000
192 3.2156 1.00000
193 5.5351 0.00000
194 5.6954 0.00000
195 5.9385 0.00000
196 6.1182 0.00000
197 6.5251 0.00000
198 6.5222 0.00000
199 6.5471 0.00000
200 6.5462 0.00000
201 6.5602 0.00000
202 6.5816 0.00000
203 6.6384 0.00000
204 6.6703 0.00000
205 6.6980 0.00000
206 6.6961 0.00000
207 6.7087 0.00000
208 6.7052 0.00000
209 6.8185 0.00000
210 6.8157 0.00000
211 6.8438 0.00000
212 6.8404 0.00000
213 6.8553 0.00000
214 6.8466 0.00000
215 6.8518 0.00000
216 6.8834 0.00000
217 6.8781 0.00000
218 6.8981 0.00000
219 6.9929 0.00000
220 6.9777 0.00000
221 7.0314 0.00000
222 6.9678 0.00000
223 7.1126 0.00000
224 7.1422 0.00000
225 7.2900 0.00000
226 7.2589 0.00000
227 7.3479 0.00000
228 7.3373 0.00000
229 7.4762 0.00000
230 7.4654 0.00000
231 7.5750 0.00000
232 7.5700 0.00000
233 7.6617 0.00000
234 7.6569 0.00000
235 7.7127 0.00000
236 7.7122 0.00000
237 8.1112 0.00000
238 8.1317 0.00000
239 8.1325 0.00000
240 8.1564 0.00000
241 8.2237 0.00000
242 8.3259 0.00000
243 8.4971 0.00000
244 8.6835 0.00000
245 8.6989 0.00000
246 8.7098 0.00000
247 8.7260 0.00000
248 8.7613 0.00000
249 8.7715 0.00000
250 9.0127 0.00000
251 9.5192 0.00000
252 9.6266 0.00000
253 9.6699 0.00000
254 9.6986 0.00000
255 9.8676 0.00000
256 10.1590 0.00000
k-point 8 : 0.2500 0.0833 0.2500
band No. band energies occupation
1 -53.0973 1.00000
2 -53.0890 1.00000
3 -53.0846 1.00000
4 -53.0829 1.00000
5 -53.0820 1.00000
6 -53.0817 1.00000
7 -53.0755 1.00000
8 -53.0730 1.00000
9 -53.0645 1.00000
10 -53.0622 1.00000
11 -53.0619 1.00000
12 -53.0602 1.00000
13 -53.0586 1.00000
14 -53.0560 1.00000
15 -53.0528 1.00000
16 -53.0477 1.00000
17 -29.5387 1.00000
18 -29.5372 1.00000
19 -29.5316 1.00000
20 -29.5266 1.00000
21 -29.5207 1.00000
22 -29.5172 1.00000
23 -29.5035 1.00000
24 -29.4927 1.00000
25 -29.4856 1.00000
26 -29.4475 1.00000
27 -29.4451 1.00000
28 -29.4415 1.00000
29 -29.4317 1.00000
30 -29.4226 1.00000
31 -29.3728 1.00000
32 -29.3719 1.00000
33 -29.3652 1.00000
34 -29.3551 1.00000
35 -29.3536 1.00000
36 -29.3441 1.00000
37 -29.3417 1.00000
38 -29.3402 1.00000
39 -29.3397 1.00000
40 -29.3334 1.00000
41 -29.3277 1.00000
42 -29.3263 1.00000
43 -29.3083 1.00000
44 -29.3075 1.00000
45 -29.2977 1.00000
46 -29.2953 1.00000
47 -29.2885 1.00000
48 -29.2598 1.00000
49 -29.2494 1.00000
50 -29.2434 1.00000
51 -29.2406 1.00000
52 -29.2377 1.00000
53 -29.2371 1.00000
54 -29.2347 1.00000
55 -29.2323 1.00000
56 -29.2262 1.00000
57 -29.2206 1.00000
58 -29.2116 1.00000
59 -29.2035 1.00000
60 -29.2006 1.00000
61 -29.1961 1.00000
62 -29.1923 1.00000
63 -29.1876 1.00000
64 -29.1859 1.00000
65 -14.1917 1.00000
66 -13.8976 1.00000
67 -13.8593 1.00000
68 -13.7405 1.00000
69 -13.7024 1.00000
70 -13.6623 1.00000
71 -13.4825 1.00000
72 -13.2440 1.00000
73 -13.1814 1.00000
74 -13.1791 1.00000
75 -13.1293 1.00000
76 -13.1266 1.00000
77 -13.0869 1.00000
78 -13.0668 1.00000
79 -13.0343 1.00000
80 -13.0180 1.00000
81 -13.0108 1.00000
82 -12.9595 1.00000
83 -12.9293 1.00000
84 -12.9281 1.00000
85 -12.8853 1.00000
86 -12.8652 1.00000
87 -12.8224 1.00000
88 -12.8205 1.00000
89 -12.7678 1.00000
90 -12.7511 1.00000
91 -12.7419 1.00000
92 -12.7206 1.00000
93 -12.7122 1.00000
94 -12.6926 1.00000
95 -12.6636 1.00000
96 -12.6336 1.00000
97 -1.3626 1.00000
98 -1.2976 1.00000
99 -1.2853 1.00000
100 -1.2676 1.00000
101 -1.2217 1.00000
102 -1.1599 1.00000
103 -1.1201 1.00000
104 -1.0684 1.00000
105 -0.8672 1.00000
106 -0.8666 1.00000
107 -0.7720 1.00000
108 -0.7516 1.00000
109 -0.7376 1.00000
110 -0.7231 1.00000
111 -0.6705 1.00000
112 -0.6334 1.00000
113 -0.6244 1.00000
114 -0.5805 1.00000
115 -0.5331 1.00000
116 -0.5113 1.00000
117 -0.4954 1.00000
118 -0.4794 1.00000
119 -0.4494 1.00000
120 -0.4375 1.00000
121 -0.4263 1.00000
122 -0.3940 1.00000
123 -0.3764 1.00000
124 -0.3240 1.00000
125 -0.3150 1.00000
126 -0.2931 1.00000
127 -0.2648 1.00000
128 -0.2421 1.00000
129 -0.1579 1.00000
130 -0.1394 1.00000
131 -0.0156 1.00000
132 -0.0060 1.00000
133 0.0673 1.00000
134 0.0746 1.00000
135 0.0812 1.00000
136 0.1336 1.00000
137 0.2506 1.00000
138 0.3242 1.00000
139 0.6358 1.00000
140 0.6722 1.00000
141 0.6840 1.00000
142 0.7104 1.00000
143 0.8478 1.00000
144 0.9370 1.00000
145 0.9993 1.00000
146 1.0663 1.00000
147 1.0764 1.00000
148 1.1228 1.00000
149 1.1335 1.00000
150 1.1874 1.00000
151 1.2348 1.00000
152 1.2776 1.00000
153 1.2824 1.00000
154 1.2973 1.00000
155 1.3026 1.00000
156 1.3519 1.00000
157 1.4656 1.00000
158 1.5353 1.00000
159 1.5548 1.00000
160 1.6834 1.00000
161 1.8227 1.00000
162 1.9229 1.00000
163 1.9567 1.00000
164 1.9810 1.00000
165 2.0157 1.00000
166 2.0273 1.00000
167 2.0332 1.00000
168 2.0757 1.00000
169 2.0998 1.00000
170 2.1150 1.00000
171 2.1229 1.00000
172 2.3107 1.00000
173 2.3723 1.00000
174 2.4200 1.00000
175 2.4523 1.00000
176 2.4564 1.00000
177 2.4890 1.00000
178 2.5538 1.00000
179 2.6230 1.00000
180 2.6295 1.00000
181 2.6621 1.00000
182 2.6664 1.00000
183 2.6714 1.00000
184 2.6760 1.00000
185 2.6867 1.00000
186 2.9084 1.00000
187 2.9127 1.00000
188 2.9667 1.00000
189 2.9681 1.00000
190 3.0286 1.00000
191 3.1949 1.00000
192 3.2080 1.00000
193 5.8091 0.00000
194 5.8669 0.00000
195 6.1063 0.00000
196 6.1835 0.00000
197 6.3838 0.00000
198 6.4548 0.00000
199 6.4567 0.00000
200 6.4849 0.00000
201 6.4821 0.00000
202 6.4854 0.00000
203 6.5128 0.00000
204 6.5321 0.00000
205 6.5992 0.00000
206 6.6508 0.00000
207 6.6619 0.00000
208 6.6038 0.00000
209 6.8235 0.00000
210 6.7844 0.00000
211 6.7901 0.00000
212 6.8683 0.00000
213 6.8333 0.00000
214 6.8555 0.00000
215 6.8422 0.00000
216 6.8283 0.00000
217 6.8158 0.00000
218 6.8676 0.00000
219 6.9944 0.00000
220 6.9007 0.00000
221 6.9182 0.00000
222 6.9224 0.00000
223 6.9666 0.00000
224 7.0318 0.00000
225 7.0024 0.00000
226 7.1256 0.00000
227 7.2261 0.00000
228 7.3521 0.00000
229 7.3283 0.00000
230 7.4610 0.00000
231 7.3987 0.00000
232 7.5362 0.00000
233 7.6261 0.00000
234 7.6964 0.00000
235 7.6964 0.00000
236 7.6535 0.00000
237 7.9747 0.00000
238 7.9937 0.00000
239 8.0440 0.00000
240 8.0726 0.00000
241 8.3545 0.00000
242 8.4725 0.00000
243 8.6148 0.00000
244 8.6982 0.00000
245 8.8211 0.00000
246 8.8911 0.00000
247 8.9551 0.00000
248 9.0952 0.00000
249 9.1389 0.00000
250 9.2864 0.00000
251 9.4490 0.00000
252 9.5211 0.00000
253 9.6422 0.00000
254 9.7432 0.00000
255 9.8436 0.00000
256 10.2236 0.00000
k-point 9 : 0.4167 0.0833 0.2500
band No. band energies occupation
1 -53.0951 1.00000
2 -53.0922 1.00000
3 -53.0823 1.00000
4 -53.0820 1.00000
5 -53.0814 1.00000
6 -53.0797 1.00000
7 -53.0791 1.00000
8 -53.0766 1.00000
9 -53.0621 1.00000
10 -53.0619 1.00000
11 -53.0615 1.00000
12 -53.0599 1.00000
13 -53.0593 1.00000
14 -53.0573 1.00000
15 -53.0506 1.00000
16 -53.0488 1.00000
17 -29.5386 1.00000
18 -29.5385 1.00000
19 -29.5306 1.00000
20 -29.5292 1.00000
21 -29.5199 1.00000
22 -29.5190 1.00000
23 -29.4819 1.00000
24 -29.4735 1.00000
25 -29.4673 1.00000
26 -29.4617 1.00000
27 -29.4564 1.00000
28 -29.4514 1.00000
29 -29.4143 1.00000
30 -29.3987 1.00000
31 -29.3906 1.00000
32 -29.3703 1.00000
33 -29.3672 1.00000
34 -29.3669 1.00000
35 -29.3560 1.00000
36 -29.3554 1.00000
37 -29.3399 1.00000
38 -29.3384 1.00000
39 -29.3381 1.00000
40 -29.3359 1.00000
41 -29.3268 1.00000
42 -29.3264 1.00000
43 -29.3228 1.00000
44 -29.3215 1.00000
45 -29.2935 1.00000
46 -29.2893 1.00000
47 -29.2857 1.00000
48 -29.2727 1.00000
49 -29.2479 1.00000
50 -29.2458 1.00000
51 -29.2383 1.00000
52 -29.2358 1.00000
53 -29.2351 1.00000
54 -29.2343 1.00000
55 -29.2332 1.00000
56 -29.2284 1.00000
57 -29.2273 1.00000
58 -29.2200 1.00000
59 -29.1997 1.00000
60 -29.1989 1.00000
61 -29.1919 1.00000
62 -29.1907 1.00000
63 -29.1836 1.00000
64 -29.1831 1.00000
65 -14.0849 1.00000
66 -13.9642 1.00000
67 -13.8235 1.00000
68 -13.7658 1.00000
69 -13.5508 1.00000
70 -13.5082 1.00000
71 -13.3807 1.00000
72 -13.3630 1.00000
73 -13.3161 1.00000
74 -13.2241 1.00000
75 -13.1810 1.00000
76 -13.1244 1.00000
77 -13.1241 1.00000
78 -13.0952 1.00000
79 -13.0725 1.00000
80 -13.0371 1.00000
81 -12.9514 1.00000
82 -12.9482 1.00000
83 -12.9263 1.00000
84 -12.9020 1.00000
85 -12.8992 1.00000
86 -12.8258 1.00000
87 -12.8232 1.00000
88 -12.7950 1.00000
89 -12.7834 1.00000
90 -12.7542 1.00000
91 -12.7460 1.00000
92 -12.7406 1.00000
93 -12.7358 1.00000
94 -12.7201 1.00000
95 -12.7103 1.00000
96 -12.6787 1.00000
97 -1.2998 1.00000
98 -1.2618 1.00000
99 -1.2403 1.00000
100 -1.2288 1.00000
101 -1.2095 1.00000
102 -1.1728 1.00000
103 -1.1507 1.00000
104 -1.0766 1.00000
105 -1.0497 1.00000
106 -1.0290 1.00000
107 -1.0027 1.00000
108 -0.9449 1.00000
109 -0.8666 1.00000
110 -0.8629 1.00000
111 -0.6904 1.00000
112 -0.6778 1.00000
113 -0.5944 1.00000
114 -0.5876 1.00000
115 -0.4947 1.00000
116 -0.4733 1.00000
117 -0.4727 1.00000
118 -0.4587 1.00000
119 -0.4449 1.00000
120 -0.4381 1.00000
121 -0.4375 1.00000
122 -0.4006 1.00000
123 -0.3218 1.00000
124 -0.3024 1.00000
125 -0.2065 1.00000
126 -0.1416 1.00000
127 -0.1392 1.00000
128 -0.1056 1.00000
129 -0.0922 1.00000
130 -0.0298 1.00000
131 0.0324 1.00000
132 0.0603 1.00000
133 0.1740 1.00000
134 0.2623 1.00000
135 0.3537 1.00000
136 0.4829 1.00000
137 0.5154 1.00000
138 0.5526 1.00000
139 0.6598 1.00000
140 0.6650 1.00000
141 0.7359 1.00000
142 0.7673 1.00000
143 0.8282 1.00000
144 0.8285 1.00000
145 0.8296 1.00000
146 0.8645 1.00000
147 0.9492 1.00000
148 1.1040 1.00000
149 1.1317 1.00000
150 1.1623 1.00000
151 1.1871 1.00000
152 1.2071 1.00000
153 1.2192 1.00000
154 1.2518 1.00000
155 1.2992 1.00000
156 1.3472 1.00000
157 1.4606 1.00000
158 1.4778 1.00000
159 1.4894 1.00000
160 1.5505 1.00000
161 1.5990 1.00000
162 1.7537 1.00000
163 1.7588 1.00000
164 1.8073 1.00000
165 1.9292 1.00000
166 1.9884 1.00000
167 1.9950 1.00000
168 2.1019 1.00000
169 2.2161 1.00000
170 2.3100 1.00000
171 2.3239 1.00000
172 2.3493 1.00000
173 2.4450 1.00000
174 2.4964 1.00000
175 2.5248 1.00000
176 2.5319 1.00000
177 2.5876 1.00000
178 2.5943 1.00000
179 2.6278 1.00000
180 2.6716 1.00000
181 2.6925 1.00000
182 2.7054 1.00000
183 2.7312 1.00000
184 2.7604 1.00000
185 2.7898 1.00000
186 2.7918 1.00000
187 2.8638 1.00000
188 2.8692 1.00000
189 2.9342 1.00000
190 2.9343 1.00000
191 3.1176 1.00000
192 3.1200 1.00000
193 6.0404 0.00000
194 6.1557 0.00000
195 6.2140 0.00000
196 6.3332 0.00000
197 6.3527 0.00000
198 6.3745 0.00000
199 6.3970 0.00000
200 6.3904 0.00000
201 6.4153 0.00000
202 6.4456 0.00000
203 6.4627 0.00000
204 6.4636 0.00000
205 6.5266 0.00000
206 6.5185 0.00000
207 6.5371 0.00000
208 6.5586 0.00000
209 6.5442 0.00000
210 6.6676 0.00000
211 6.6606 0.00000
212 6.7735 0.00000
213 6.8071 0.00000
214 6.8280 0.00000
215 6.8162 0.00000
216 6.7961 0.00000
217 6.8380 0.00000
218 6.8479 0.00000
219 6.8117 0.00000
220 6.8856 0.00000
221 7.0072 0.00000
222 6.8931 0.00000
223 6.8874 0.00000
224 6.9369 0.00000
225 6.9378 0.00000
226 7.0594 0.00000
227 7.0973 0.00000
228 7.0859 0.00000
229 7.4549 0.00000
230 7.5761 0.00000
231 7.6195 0.00000
232 7.4859 0.00000
233 7.5911 0.00000
234 7.5813 0.00000
235 7.7202 0.00000
236 7.7704 0.00000
237 7.7719 0.00000
238 7.7939 0.00000
239 7.8863 0.00000
240 7.9238 0.00000
241 8.4419 0.00000
242 8.5221 0.00000
243 8.5589 0.00000
244 8.6098 0.00000
245 9.1196 0.00000
246 9.1327 0.00000
247 9.1754 0.00000
248 9.2266 0.00000
249 9.2828 0.00000
250 9.3143 0.00000
251 9.3545 0.00000
252 9.4208 0.00000
253 9.5831 0.00000
254 9.7446 0.00000
255 9.9390 0.00000
256 10.2602 0.00000
k-point 10 : 0.2500 0.2500 0.2500
band No. band energies occupation
1 -53.0962 1.00000
2 -53.0878 1.00000
3 -53.0878 1.00000
4 -53.0822 1.00000
5 -53.0805 1.00000
6 -53.0805 1.00000
7 -53.0789 1.00000
8 -53.0731 1.00000
9 -53.0649 1.00000
10 -53.0623 1.00000
11 -53.0607 1.00000
12 -53.0607 1.00000
13 -53.0591 1.00000
14 -53.0535 1.00000
15 -53.0535 1.00000
16 -53.0483 1.00000
17 -29.5385 1.00000
18 -29.5366 1.00000
19 -29.5366 1.00000
20 -29.5320 1.00000
21 -29.5081 1.00000
22 -29.5035 1.00000
23 -29.5035 1.00000
24 -29.4878 1.00000
25 -29.4709 1.00000
26 -29.4529 1.00000
27 -29.4380 1.00000
28 -29.4380 1.00000
29 -29.4267 1.00000
30 -29.4267 1.00000
31 -29.3785 1.00000
32 -29.3714 1.00000
33 -29.3697 1.00000
34 -29.3525 1.00000
35 -29.3485 1.00000
36 -29.3449 1.00000
37 -29.3432 1.00000
38 -29.3432 1.00000
39 -29.3429 1.00000
40 -29.3389 1.00000
41 -29.3389 1.00000
42 -29.3338 1.00000
43 -29.3057 1.00000
44 -29.3057 1.00000
45 -29.3022 1.00000
46 -29.3022 1.00000
47 -29.2894 1.00000
48 -29.2661 1.00000
49 -29.2504 1.00000
50 -29.2439 1.00000
51 -29.2439 1.00000
52 -29.2355 1.00000
53 -29.2355 1.00000
54 -29.2345 1.00000
55 -29.2329 1.00000
56 -29.2295 1.00000
57 -29.2202 1.00000
58 -29.2092 1.00000
59 -29.2092 1.00000
60 -29.2074 1.00000
61 -29.1894 1.00000
62 -29.1854 1.00000
63 -29.1854 1.00000
64 -29.1830 1.00000
65 -14.1267 1.00000
66 -13.8385 1.00000
67 -13.7784 1.00000
68 -13.7784 1.00000
69 -13.6560 1.00000
70 -13.6560 1.00000
71 -13.4417 1.00000
72 -13.2950 1.00000
73 -13.2022 1.00000
74 -13.1644 1.00000
75 -13.1540 1.00000
76 -13.0957 1.00000
77 -13.0387 1.00000
78 -13.0387 1.00000
79 -13.0317 1.00000
80 -13.0317 1.00000
81 -13.0080 1.00000
82 -13.0080 1.00000
83 -12.9975 1.00000
84 -12.9395 1.00000
85 -12.9146 1.00000
86 -12.9146 1.00000
87 -12.8862 1.00000
88 -12.8031 1.00000
89 -12.7678 1.00000
90 -12.7603 1.00000
91 -12.7603 1.00000
92 -12.7376 1.00000
93 -12.7103 1.00000
94 -12.7103 1.00000
95 -12.6832 1.00000
96 -12.6270 1.00000
97 -1.3573 1.00000
98 -1.3550 1.00000
99 -1.3550 1.00000
100 -1.3210 1.00000
101 -1.2758 1.00000
102 -1.2729 1.00000
103 -1.2729 1.00000
104 -1.1556 1.00000
105 -0.8046 1.00000
106 -0.8027 1.00000
107 -0.7645 1.00000
108 -0.7062 1.00000
109 -0.6913 1.00000
110 -0.6913 1.00000
111 -0.6807 1.00000
112 -0.6807 1.00000
113 -0.6721 1.00000
114 -0.6420 1.00000
115 -0.6420 1.00000
116 -0.5861 1.00000
117 -0.4607 1.00000
118 -0.3614 1.00000
119 -0.3614 1.00000
120 -0.3034 1.00000
121 -0.2890 1.00000
122 -0.2620 1.00000
123 -0.2620 1.00000
124 -0.2363 1.00000
125 -0.2185 1.00000
126 -0.1340 1.00000
127 -0.1221 1.00000
128 -0.1221 1.00000
129 -0.0462 1.00000
130 -0.0310 1.00000
131 -0.0225 1.00000
132 0.0551 1.00000
133 0.0801 1.00000
134 0.0801 1.00000
135 0.1396 1.00000
136 0.1396 1.00000
137 0.1506 1.00000
138 0.3849 1.00000
139 0.5390 1.00000
140 0.5390 1.00000
141 0.5473 1.00000
142 0.6759 1.00000
143 0.8496 1.00000
144 0.8496 1.00000
145 0.8998 1.00000
146 0.9294 1.00000
147 0.9294 1.00000
148 0.9577 1.00000
149 1.1454 1.00000
150 1.1454 1.00000
151 1.1812 1.00000
152 1.3487 1.00000
153 1.3677 1.00000
154 1.3688 1.00000
155 1.3688 1.00000
156 1.4955 1.00000
157 1.4955 1.00000
158 1.5038 1.00000
159 1.6027 1.00000
160 1.7670 1.00000
161 1.8591 1.00000
162 1.9312 1.00000
163 1.9312 1.00000
164 1.9761 1.00000
165 1.9975 1.00000
166 2.0956 1.00000
167 2.0956 1.00000
168 2.1255 1.00000
169 2.1481 1.00000
170 2.1492 1.00000
171 2.1492 1.00000
172 2.1880 1.00000
173 2.1880 1.00000
174 2.2351 1.00000
175 2.3962 1.00000
176 2.4646 1.00000
177 2.6068 1.00000
178 2.6168 1.00000
179 2.6168 1.00000
180 2.6252 1.00000
181 2.6252 1.00000
182 2.7057 1.00000
183 2.7708 1.00000
184 2.7708 1.00000
185 2.7890 1.00000
186 2.7890 1.00000
187 2.8383 1.00000
188 2.8786 1.00000
189 2.9900 1.00000
190 2.9961 1.00000
191 3.1821 1.00000
192 3.1928 1.00000
193 6.0338 0.00000
194 6.0681 0.00000
195 6.1447 0.00000
196 6.2040 0.00000
197 6.3769 0.00000
198 6.3765 0.00000
199 6.3681 0.00000
200 6.3649 0.00000
201 6.4150 0.00000
202 6.4603 0.00000
203 6.5249 0.00000
204 6.5212 0.00000
205 6.5446 0.00000
206 6.5389 0.00000
207 6.6107 0.00000
208 6.6476 0.00000
209 6.6966 0.00000
210 6.6543 0.00000
211 6.8109 0.00000
212 6.7963 0.00000
213 6.8150 0.00000
214 6.8132 0.00000
215 6.7625 0.00000
216 6.7552 0.00000
217 6.8943 0.00000
218 6.8442 0.00000
219 6.8395 0.00000
220 6.8377 0.00000
221 6.9735 0.00000
222 6.9038 0.00000
223 6.8853 0.00000
224 6.9466 0.00000
225 6.9131 0.00000
226 7.1032 0.00000
227 6.9876 0.00000
228 7.2500 0.00000
229 7.2302 0.00000
230 7.2171 0.00000
231 7.3910 0.00000
232 7.3883 0.00000
233 7.5378 0.00000
234 7.5298 0.00000
235 7.6475 0.00000
236 7.6441 0.00000
237 7.8350 0.00000
238 7.8922 0.00000
239 7.9064 0.00000
240 7.9930 0.00000
241 8.5785 0.00000
242 8.6348 0.00000
243 8.8599 0.00000
244 8.8670 0.00000
245 8.8753 0.00000
246 8.9438 0.00000
247 9.0209 0.00000
248 9.2318 0.00000
249 9.3009 0.00000
250 9.4294 0.00000
251 9.4753 0.00000
252 9.5077 0.00000
253 9.5876 0.00000
254 9.6666 0.00000
255 9.9676 0.00000
256 10.3049 0.00000
k-point 11 : 0.4167 0.2500 0.2500
band No. band energies occupation
1 -53.0940 1.00000
2 -53.0910 1.00000
3 -53.0855 1.00000
4 -53.0824 1.00000
5 -53.0811 1.00000
6 -53.0803 1.00000
7 -53.0784 1.00000
8 -53.0756 1.00000
9 -53.0635 1.00000
10 -53.0624 1.00000
11 -53.0620 1.00000
12 -53.0619 1.00000
13 -53.0566 1.00000
14 -53.0547 1.00000
15 -53.0512 1.00000
16 -53.0494 1.00000
17 -29.5383 1.00000
18 -29.5381 1.00000
19 -29.5357 1.00000
20 -29.5344 1.00000
21 -29.5050 1.00000
22 -29.5038 1.00000
23 -29.4830 1.00000
24 -29.4703 1.00000
25 -29.4648 1.00000
26 -29.4525 1.00000
27 -29.4513 1.00000
28 -29.4365 1.00000
29 -29.4221 1.00000
30 -29.4030 1.00000
31 -29.4005 1.00000
32 -29.3756 1.00000
33 -29.3657 1.00000
34 -29.3648 1.00000
35 -29.3556 1.00000
36 -29.3541 1.00000
37 -29.3442 1.00000
38 -29.3441 1.00000
39 -29.3379 1.00000
40 -29.3368 1.00000
41 -29.3356 1.00000
42 -29.3310 1.00000
43 -29.3197 1.00000
44 -29.3152 1.00000
45 -29.3006 1.00000
46 -29.2942 1.00000
47 -29.2919 1.00000
48 -29.2785 1.00000
49 -29.2493 1.00000
50 -29.2469 1.00000
51 -29.2426 1.00000
52 -29.2387 1.00000
53 -29.2343 1.00000
54 -29.2342 1.00000
55 -29.2316 1.00000
56 -29.2258 1.00000
57 -29.2242 1.00000
58 -29.2172 1.00000
59 -29.2070 1.00000
60 -29.2067 1.00000
61 -29.1851 1.00000
62 -29.1839 1.00000
63 -29.1813 1.00000
64 -29.1807 1.00000
65 -14.0150 1.00000
66 -13.8884 1.00000
67 -13.7523 1.00000
68 -13.6849 1.00000
69 -13.6336 1.00000
70 -13.5036 1.00000
71 -13.4580 1.00000
72 -13.3522 1.00000
73 -13.3182 1.00000
74 -13.2056 1.00000
75 -13.1357 1.00000
76 -13.1034 1.00000
77 -13.0768 1.00000
78 -13.0551 1.00000
79 -13.0272 1.00000
80 -13.0272 1.00000
81 -13.0207 1.00000
82 -13.0201 1.00000
83 -12.9687 1.00000
84 -12.9156 1.00000
85 -12.9099 1.00000
86 -12.8902 1.00000
87 -12.8828 1.00000
88 -12.8280 1.00000
89 -12.8179 1.00000
90 -12.8081 1.00000
91 -12.7692 1.00000
92 -12.7451 1.00000
93 -12.7290 1.00000
94 -12.7195 1.00000
95 -12.6881 1.00000
96 -12.6547 1.00000
97 -1.3438 1.00000
98 -1.3422 1.00000
99 -1.3312 1.00000
100 -1.2933 1.00000
101 -1.2928 1.00000
102 -1.2356 1.00000
103 -1.2239 1.00000
104 -1.1182 1.00000
105 -1.0713 1.00000
106 -1.0410 1.00000
107 -1.0043 1.00000
108 -0.9552 1.00000
109 -0.7248 1.00000
110 -0.7216 1.00000
111 -0.7060 1.00000
112 -0.7012 1.00000
113 -0.6925 1.00000
114 -0.6767 1.00000
115 -0.6087 1.00000
116 -0.5965 1.00000
117 -0.3699 1.00000
118 -0.3482 1.00000
119 -0.2882 1.00000
120 -0.2639 1.00000
121 -0.2071 1.00000
122 -0.1676 1.00000
123 -0.1554 1.00000
124 -0.1060 1.00000
125 -0.1007 1.00000
126 -0.0980 1.00000
127 -0.0866 1.00000
128 -0.0765 1.00000
129 -0.0551 1.00000
130 0.0566 1.00000
131 0.0775 1.00000
132 0.0964 1.00000
133 0.1418 1.00000
134 0.2463 1.00000
135 0.3322 1.00000
136 0.4888 1.00000
137 0.4908 1.00000
138 0.5625 1.00000
139 0.5871 1.00000
140 0.6391 1.00000
141 0.6944 1.00000
142 0.6957 1.00000
143 0.7280 1.00000
144 0.7481 1.00000
145 0.7795 1.00000
146 0.7811 1.00000
147 0.8110 1.00000
148 0.9075 1.00000
149 0.9965 1.00000
150 1.0799 1.00000
151 1.2276 1.00000
152 1.3160 1.00000
153 1.3331 1.00000
154 1.3590 1.00000
155 1.3732 1.00000
156 1.4138 1.00000
157 1.4945 1.00000
158 1.5620 1.00000
159 1.5699 1.00000
160 1.5750 1.00000
161 1.6584 1.00000
162 1.6812 1.00000
163 1.7438 1.00000
164 1.7833 1.00000
165 1.8727 1.00000
166 1.9274 1.00000
167 2.1355 1.00000
168 2.1754 1.00000
169 2.1846 1.00000
170 2.1952 1.00000
171 2.2511 1.00000
172 2.2930 1.00000
173 2.3102 1.00000
174 2.3492 1.00000
175 2.4579 1.00000
176 2.4701 1.00000
177 2.6174 1.00000
178 2.6245 1.00000
179 2.6449 1.00000
180 2.6453 1.00000
181 2.6713 1.00000
182 2.6731 1.00000
183 2.7127 1.00000
184 2.8188 1.00000
185 2.8390 1.00000
186 2.8652 1.00000
187 2.9189 1.00000
188 2.9730 1.00000
189 2.9773 1.00000
190 3.0033 1.00000
191 3.1190 1.00000
192 3.1263 1.00000
193 6.1696 0.00000
194 6.2277 0.00000
195 6.2597 0.00000
196 6.2917 0.00000
197 6.3117 0.00000
198 6.3357 0.00000
199 6.3641 0.00000
200 6.2980 0.00000
201 6.3888 0.00000
202 6.3542 0.00000
203 6.4918 0.00000
204 6.4747 0.00000
205 6.4747 0.00000
206 6.4826 0.00000
207 6.5379 0.00000
208 6.5424 0.00000
209 6.5154 0.00000
210 6.7226 0.00000
211 6.7002 0.00000
212 6.7558 0.00000
213 6.7721 0.00000
214 6.7859 0.00000
215 6.7142 0.00000
216 6.6764 0.00000
217 6.8786 0.00000
218 6.8389 0.00000
219 6.9169 0.00000
220 6.8149 0.00000
221 6.8015 0.00000
222 6.8406 0.00000
223 6.9249 0.00000
224 6.9002 0.00000
225 6.9114 0.00000
226 6.8415 0.00000
227 6.8056 0.00000
228 7.0942 0.00000
229 7.2005 0.00000
230 7.3486 0.00000
231 7.3913 0.00000
232 7.3832 0.00000
233 7.5138 0.00000
234 7.5121 0.00000
235 7.5641 0.00000
236 7.6157 0.00000
237 7.6911 0.00000
238 7.7035 0.00000
239 7.7354 0.00000
240 7.8470 0.00000
241 8.6898 0.00000
242 8.7170 0.00000
243 8.7759 0.00000
244 8.8166 0.00000
245 9.0806 0.00000
246 9.1177 0.00000
247 9.2137 0.00000
248 9.2371 0.00000
249 9.3595 0.00000
250 9.4254 0.00000
251 9.6094 0.00000
252 9.6793 0.00000
253 9.7106 0.00000
254 9.7620 0.00000
255 10.0179 0.00000
256 10.2462 0.00000
k-point 12 : 0.4167 0.4167 0.2500
band No. band energies occupation
1 -53.0918 1.00000
2 -53.0888 1.00000
3 -53.0888 1.00000
4 -53.0858 1.00000
5 -53.0798 1.00000
6 -53.0785 1.00000
7 -53.0785 1.00000
8 -53.0766 1.00000
9 -53.0635 1.00000
10 -53.0628 1.00000
11 -53.0628 1.00000
12 -53.0627 1.00000
13 -53.0543 1.00000
14 -53.0524 1.00000
15 -53.0524 1.00000
16 -53.0506 1.00000
17 -29.5379 1.00000
18 -29.5374 1.00000
19 -29.5374 1.00000
20 -29.5364 1.00000
21 -29.4928 1.00000
22 -29.4860 1.00000
23 -29.4860 1.00000
24 -29.4724 1.00000
25 -29.4569 1.00000
26 -29.4378 1.00000
27 -29.4378 1.00000
28 -29.4326 1.00000
29 -29.4186 1.00000
30 -29.4141 1.00000
31 -29.4141 1.00000
32 -29.3907 1.00000
33 -29.3614 1.00000
34 -29.3607 1.00000
35 -29.3538 1.00000
36 -29.3538 1.00000
37 -29.3520 1.00000
38 -29.3520 1.00000
39 -29.3501 1.00000
40 -29.3472 1.00000
41 -29.3259 1.00000
42 -29.3185 1.00000
43 -29.3128 1.00000
44 -29.3128 1.00000
45 -29.3040 1.00000
46 -29.3040 1.00000
47 -29.3032 1.00000
48 -29.2902 1.00000
49 -29.2490 1.00000
50 -29.2465 1.00000
51 -29.2465 1.00000
52 -29.2435 1.00000
53 -29.2324 1.00000
54 -29.2311 1.00000
55 -29.2311 1.00000
56 -29.2272 1.00000
57 -29.2195 1.00000
58 -29.2139 1.00000
59 -29.2139 1.00000
60 -29.2111 1.00000
61 -29.1808 1.00000
62 -29.1797 1.00000
63 -29.1797 1.00000
64 -29.1787 1.00000
65 -13.8938 1.00000
66 -13.7548 1.00000
67 -13.7548 1.00000
68 -13.6395 1.00000
69 -13.5977 1.00000
70 -13.5442 1.00000
71 -13.5442 1.00000
72 -13.3957 1.00000
73 -13.2913 1.00000
74 -13.1776 1.00000
75 -13.1776 1.00000
76 -13.1257 1.00000
77 -13.0664 1.00000
78 -13.0580 1.00000
79 -13.0104 1.00000
80 -13.0104 1.00000
81 -12.9932 1.00000
82 -12.9771 1.00000
83 -12.9771 1.00000
84 -12.9582 1.00000
85 -12.9451 1.00000
86 -12.9451 1.00000
87 -12.9040 1.00000
88 -12.8631 1.00000
89 -12.8590 1.00000
90 -12.8001 1.00000
91 -12.8001 1.00000
92 -12.7647 1.00000
93 -12.7407 1.00000
94 -12.7053 1.00000
95 -12.7053 1.00000
96 -12.6737 1.00000
97 -1.3285 1.00000
98 -1.3008 1.00000
99 -1.2832 1.00000
100 -1.2832 1.00000
101 -1.2627 1.00000
102 -1.2627 1.00000
103 -1.2075 1.00000
104 -1.1163 1.00000
105 -1.1018 1.00000
106 -1.0896 1.00000
107 -1.0153 1.00000
108 -1.0153 1.00000
109 -0.9892 1.00000
110 -0.9499 1.00000
111 -0.9499 1.00000
112 -0.9002 1.00000
113 -0.6751 1.00000
114 -0.6370 1.00000
115 -0.6370 1.00000
116 -0.6138 1.00000
117 -0.2288 1.00000
118 -0.2288 1.00000
119 -0.2199 1.00000
120 -0.1928 1.00000
121 -0.1665 1.00000
122 -0.0798 1.00000
123 -0.0798 1.00000
124 -0.0563 1.00000
125 -0.0527 1.00000
126 -0.0288 1.00000
127 -0.0288 1.00000
128 0.0329 1.00000
129 0.0345 1.00000
130 0.2749 1.00000
131 0.2749 1.00000
132 0.3112 1.00000
133 0.4154 1.00000
134 0.4154 1.00000
135 0.4654 1.00000
136 0.4945 1.00000
137 0.5667 1.00000
138 0.5914 1.00000
139 0.6355 1.00000
140 0.6355 1.00000
141 0.7111 1.00000
142 0.7111 1.00000
143 0.7195 1.00000
144 0.7209 1.00000
145 0.7461 1.00000
146 0.8429 1.00000
147 0.8429 1.00000
148 0.9204 1.00000
149 0.9442 1.00000
150 1.0228 1.00000
151 1.0228 1.00000
152 1.1170 1.00000
153 1.2618 1.00000
154 1.3258 1.00000
155 1.3403 1.00000
156 1.3403 1.00000
157 1.4100 1.00000
158 1.4433 1.00000
159 1.4433 1.00000
160 1.5556 1.00000
161 1.6164 1.00000
162 1.6203 1.00000
163 1.6203 1.00000
164 1.7057 1.00000
165 1.7841 1.00000
166 1.9157 1.00000
167 1.9157 1.00000
168 2.1070 1.00000
169 2.2154 1.00000
170 2.2487 1.00000
171 2.2989 1.00000
172 2.2989 1.00000
173 2.3444 1.00000
174 2.3444 1.00000
175 2.4499 1.00000
176 2.5021 1.00000
177 2.5638 1.00000
178 2.6338 1.00000
179 2.6653 1.00000
180 2.6653 1.00000
181 2.6999 1.00000
182 2.7070 1.00000
183 2.7070 1.00000
184 2.7867 1.00000
185 2.9386 1.00000
186 3.0035 1.00000
187 3.0035 1.00000
188 3.0356 1.00000
189 3.0356 1.00000
190 3.0706 1.00000
191 3.0949 1.00000
192 3.1074 1.00000
193 6.2190 0.00000
194 6.2453 0.00000
195 6.2447 0.00000
196 6.2349 0.00000
197 6.2634 0.00000
198 6.2424 0.00000
199 6.2397 0.00000
200 6.2770 0.00000
201 6.4156 0.00000
202 6.4434 0.00000
203 6.4385 0.00000
204 6.4464 0.00000
205 6.4863 0.00000
206 6.4848 0.00000
207 6.4695 0.00000
208 6.5452 0.00000
209 6.6159 0.00000
210 6.6965 0.00000
211 6.7129 0.00000
212 6.7256 0.00000
213 6.7239 0.00000
214 6.7130 0.00000
215 6.6705 0.00000
216 6.6530 0.00000
217 6.7886 0.00000
218 6.7448 0.00000
219 6.7351 0.00000
220 6.7232 0.00000
221 6.8553 0.00000
222 6.7765 0.00000
223 6.7689 0.00000
224 6.5520 0.00000
225 6.9763 0.00000
226 7.0737 0.00000
227 7.1287 0.00000
228 7.1257 0.00000
229 7.1866 0.00000
230 7.2784 0.00000
231 7.2750 0.00000
232 7.3762 0.00000
233 7.3748 0.00000
234 7.3691 0.00000
235 7.3920 0.00000
236 7.4870 0.00000
237 7.5373 0.00000
238 7.5541 0.00000
239 7.5519 0.00000
240 7.6970 0.00000
241 8.8471 0.00000
242 8.8691 0.00000
243 8.9513 0.00000
244 8.9619 0.00000
245 8.9786 0.00000
246 9.0022 0.00000
247 9.0903 0.00000
248 9.1505 0.00000
249 9.3934 0.00000
250 9.5159 0.00000
251 9.5786 0.00000
252 9.6943 0.00000
253 9.9368 0.00000
254 10.0420 0.00000
255 10.1647 0.00000
256 10.4338 0.00000
k-point 13 : 0.0833 0.0833 0.4167
band No. band energies occupation
1 -53.0949 1.00000
2 -53.0898 1.00000
3 -53.0851 1.00000
4 -53.0851 1.00000
5 -53.0842 1.00000
6 -53.0842 1.00000
7 -53.0713 1.00000
8 -53.0707 1.00000
9 -53.0662 1.00000
10 -53.0655 1.00000
11 -53.0571 1.00000
12 -53.0571 1.00000
13 -53.0562 1.00000
14 -53.0562 1.00000
15 -53.0559 1.00000
16 -53.0507 1.00000
17 -29.5257 1.00000
18 -29.5257 1.00000
19 -29.5212 1.00000
20 -29.5212 1.00000
21 -29.5190 1.00000
22 -29.5165 1.00000
23 -29.5152 1.00000
24 -29.5052 1.00000
25 -29.5029 1.00000
26 -29.4817 1.00000
27 -29.4465 1.00000
28 -29.4465 1.00000
29 -29.4450 1.00000
30 -29.4450 1.00000
31 -29.3735 1.00000
32 -29.3733 1.00000
33 -29.3637 1.00000
34 -29.3635 1.00000
35 -29.3401 1.00000
36 -29.3365 1.00000
37 -29.3339 1.00000
38 -29.3312 1.00000
39 -29.3305 1.00000
40 -29.3305 1.00000
41 -29.3298 1.00000
42 -29.3298 1.00000
43 -29.2933 1.00000
44 -29.2933 1.00000
45 -29.2932 1.00000
46 -29.2932 1.00000
47 -29.2537 1.00000
48 -29.2471 1.00000
49 -29.2445 1.00000
50 -29.2402 1.00000
51 -29.2402 1.00000
52 -29.2394 1.00000
53 -29.2394 1.00000
54 -29.2389 1.00000
55 -29.2357 1.00000
56 -29.2169 1.00000
57 -29.2151 1.00000
58 -29.2133 1.00000
59 -29.2066 1.00000
60 -29.2046 1.00000
61 -29.2033 1.00000
62 -29.2033 1.00000
63 -29.2000 1.00000
64 -29.2000 1.00000
65 -14.1804 1.00000
66 -14.0764 1.00000
67 -13.7737 1.00000
68 -13.7737 1.00000
69 -13.7594 1.00000
70 -13.7594 1.00000
71 -13.4118 1.00000
72 -13.3233 1.00000
73 -13.2134 1.00000
74 -13.1905 1.00000
75 -13.0649 1.00000
76 -13.0649 1.00000
77 -13.0622 1.00000
78 -13.0622 1.00000
79 -13.0363 1.00000
80 -13.0209 1.00000
81 -12.9312 1.00000
82 -12.9275 1.00000
83 -12.9167 1.00000
84 -12.8772 1.00000
85 -12.8694 1.00000
86 -12.8694 1.00000
87 -12.8540 1.00000
88 -12.8540 1.00000
89 -12.7505 1.00000
90 -12.7505 1.00000
91 -12.7471 1.00000
92 -12.7471 1.00000
93 -12.6665 1.00000
94 -12.6614 1.00000
95 -12.6340 1.00000
96 -12.6278 1.00000
97 -1.2027 1.00000
98 -1.2027 1.00000
99 -1.1642 1.00000
100 -1.1642 1.00000
101 -1.1312 1.00000
102 -1.1208 1.00000
103 -1.1053 1.00000
104 -1.0852 1.00000
105 -0.8141 1.00000
106 -0.8016 1.00000
107 -0.8016 1.00000
108 -0.7652 1.00000
109 -0.7596 1.00000
110 -0.7449 1.00000
111 -0.7449 1.00000
112 -0.6625 1.00000
113 -0.5302 1.00000
114 -0.5247 1.00000
115 -0.5107 1.00000
116 -0.4891 1.00000
117 -0.4883 1.00000
118 -0.4659 1.00000
119 -0.4301 1.00000
120 -0.4254 1.00000
121 -0.4254 1.00000
122 -0.4213 1.00000
123 -0.4213 1.00000
124 -0.4164 1.00000
125 -0.3896 1.00000
126 -0.3895 1.00000
127 -0.3713 1.00000
128 -0.3713 1.00000
129 -0.3431 1.00000
130 -0.3431 1.00000
131 -0.2990 1.00000
132 -0.2517 1.00000
133 -0.0526 1.00000
134 -0.0526 1.00000
135 -0.0390 1.00000
136 -0.0390 1.00000
137 0.2801 1.00000
138 0.3041 1.00000
139 0.4768 1.00000
140 0.4991 1.00000
141 1.0225 1.00000
142 1.0225 1.00000
143 1.1043 1.00000
144 1.1043 1.00000
145 1.1568 1.00000
146 1.1568 1.00000
147 1.2273 1.00000
148 1.2307 1.00000
149 1.2450 1.00000
150 1.2450 1.00000
151 1.2887 1.00000
152 1.2929 1.00000
153 1.3086 1.00000
154 1.3086 1.00000
155 1.3660 1.00000
156 1.3660 1.00000
157 1.5583 1.00000
158 1.5583 1.00000
159 1.5647 1.00000
160 1.5846 1.00000
161 1.6371 1.00000
162 1.6371 1.00000
163 1.6502 1.00000
164 1.8133 1.00000
165 1.8556 1.00000
166 1.8826 1.00000
167 2.1175 1.00000
168 2.1428 1.00000
169 2.2284 1.00000
170 2.2476 1.00000
171 2.2548 1.00000
172 2.3800 1.00000
173 2.4117 1.00000
174 2.4117 1.00000
175 2.4139 1.00000
176 2.4139 1.00000
177 2.4430 1.00000
178 2.4430 1.00000
179 2.4443 1.00000
180 2.4443 1.00000
181 2.6705 1.00000
182 2.6705 1.00000
183 2.6717 1.00000
184 2.6717 1.00000
185 2.9670 1.00000
186 3.0160 1.00000
187 3.0250 1.00000
188 3.0280 1.00000
189 3.0477 1.00000
190 3.0875 1.00000
191 3.1162 1.00000
192 3.1208 1.00000
193 5.5735 0.00000
194 5.6277 0.00000
195 6.0131 0.00000
196 6.0749 0.00000
197 6.5066 0.00000
198 6.5049 0.00000
199 6.5121 0.00000
200 6.5116 0.00000
201 6.6673 0.00000
202 6.6753 0.00000
203 6.7081 0.00000
204 6.7022 0.00000
205 6.7066 0.00000
206 6.7028 0.00000
207 6.7253 0.00000
208 6.7365 0.00000
209 6.7800 0.00000
210 6.7683 0.00000
211 6.8515 0.00000
212 6.8514 0.00000
213 6.8491 0.00000
214 6.8319 0.00000
215 6.8546 0.00000
216 6.8415 0.00000
217 6.8475 0.00000
218 6.8585 0.00000
219 6.8498 0.00000
220 6.8396 0.00000
221 7.0438 0.00000
222 7.0576 0.00000
223 7.0747 0.00000
224 7.0931 0.00000
225 7.3106 0.00000
226 7.2949 0.00000
227 7.3285 0.00000
228 7.3277 0.00000
229 7.5072 0.00000
230 7.4961 0.00000
231 7.5387 0.00000
232 7.5328 0.00000
233 7.6988 0.00000
234 7.6925 0.00000
235 7.6990 0.00000
236 7.6862 0.00000
237 8.1195 0.00000
238 8.1259 0.00000
239 8.1364 0.00000
240 8.1468 0.00000
241 8.2064 0.00000
242 8.2459 0.00000
243 8.5752 0.00000
244 8.6579 0.00000
245 8.7097 0.00000
246 8.7279 0.00000
247 8.7488 0.00000
248 8.7958 0.00000
249 8.8422 0.00000
250 8.9472 0.00000
251 9.5140 0.00000
252 9.6197 0.00000
253 9.7009 0.00000
254 9.7874 0.00000
255 10.3569 0.00000
256 10.7640 0.00000
k-point 14 : 0.2500 0.0833 0.4167
band No. band energies occupation
1 -53.0938 1.00000
2 -53.0889 1.00000
3 -53.0870 1.00000
4 -53.0845 1.00000
5 -53.0839 1.00000
6 -53.0829 1.00000
7 -53.0748 1.00000
8 -53.0739 1.00000
9 -53.0635 1.00000
10 -53.0626 1.00000
11 -53.0577 1.00000
12 -53.0574 1.00000
13 -53.0568 1.00000
14 -53.0562 1.00000
15 -53.0548 1.00000
16 -53.0512 1.00000
17 -29.5254 1.00000
18 -29.5253 1.00000
19 -29.5230 1.00000
20 -29.5210 1.00000
21 -29.5194 1.00000
22 -29.5162 1.00000
23 -29.5122 1.00000
24 -29.4914 1.00000
25 -29.4887 1.00000
26 -29.4848 1.00000
27 -29.4504 1.00000
28 -29.4486 1.00000
29 -29.4353 1.00000
30 -29.4309 1.00000
31 -29.3741 1.00000
32 -29.3740 1.00000
33 -29.3579 1.00000
34 -29.3526 1.00000
35 -29.3523 1.00000
36 -29.3507 1.00000
37 -29.3419 1.00000
38 -29.3413 1.00000
39 -29.3363 1.00000
40 -29.3318 1.00000
41 -29.3313 1.00000
42 -29.3297 1.00000
43 -29.3022 1.00000
44 -29.3022 1.00000
45 -29.2893 1.00000
46 -29.2893 1.00000
47 -29.2610 1.00000
48 -29.2559 1.00000
49 -29.2442 1.00000
50 -29.2413 1.00000
51 -29.2390 1.00000
52 -29.2389 1.00000
53 -29.2389 1.00000
54 -29.2378 1.00000
55 -29.2278 1.00000
56 -29.2238 1.00000
57 -29.2217 1.00000
58 -29.2072 1.00000
59 -29.2069 1.00000
60 -29.2019 1.00000
61 -29.2007 1.00000
62 -29.1991 1.00000
63 -29.1978 1.00000
64 -29.1974 1.00000
65 -14.1202 1.00000
66 -14.0195 1.00000
67 -13.8247 1.00000
68 -13.7815 1.00000
69 -13.6895 1.00000
70 -13.6748 1.00000
71 -13.3684 1.00000
72 -13.2816 1.00000
73 -13.1869 1.00000
74 -13.1659 1.00000
75 -13.1639 1.00000
76 -13.1470 1.00000
77 -13.0806 1.00000
78 -13.0724 1.00000
79 -13.0168 1.00000
80 -13.0143 1.00000
81 -13.0008 1.00000
82 -12.9614 1.00000
83 -12.9159 1.00000
84 -12.9045 1.00000
85 -12.9000 1.00000
86 -12.8564 1.00000
87 -12.8558 1.00000
88 -12.8407 1.00000
89 -12.7500 1.00000
90 -12.7429 1.00000
91 -12.7391 1.00000
92 -12.7328 1.00000
93 -12.7052 1.00000
94 -12.6983 1.00000
95 -12.6531 1.00000
96 -12.6423 1.00000
97 -1.3382 1.00000
98 -1.3044 1.00000
99 -1.2781 1.00000
100 -1.2734 1.00000
101 -1.1966 1.00000
102 -1.1621 1.00000
103 -1.1290 1.00000
104 -1.0993 1.00000
105 -0.7986 1.00000
106 -0.7821 1.00000
107 -0.7692 1.00000
108 -0.7608 1.00000
109 -0.7543 1.00000
110 -0.7438 1.00000
111 -0.6693 1.00000
112 -0.6582 1.00000
113 -0.5072 1.00000
114 -0.5012 1.00000
115 -0.4887 1.00000
116 -0.4874 1.00000
117 -0.4829 1.00000
118 -0.4382 1.00000
119 -0.4342 1.00000
120 -0.4119 1.00000
121 -0.4053 1.00000
122 -0.3989 1.00000
123 -0.3604 1.00000
124 -0.3515 1.00000
125 -0.3240 1.00000
126 -0.3220 1.00000
127 -0.3202 1.00000
128 -0.3008 1.00000
129 -0.2500 1.00000
130 -0.2134 1.00000
131 -0.0881 1.00000
132 -0.0642 1.00000
133 -0.0205 1.00000
134 -0.0119 1.00000
135 0.0529 1.00000
136 0.0789 1.00000
137 0.1689 1.00000
138 0.2070 1.00000
139 0.5717 1.00000
140 0.6015 1.00000
141 0.7364 1.00000
142 0.7975 1.00000
143 0.9270 1.00000
144 1.0088 1.00000
145 1.0155 1.00000
146 1.0576 1.00000
147 1.0820 1.00000
148 1.1095 1.00000
149 1.1498 1.00000
150 1.2636 1.00000
151 1.2847 1.00000
152 1.3214 1.00000
153 1.3264 1.00000
154 1.3285 1.00000
155 1.4737 1.00000
156 1.4802 1.00000
157 1.4914 1.00000
158 1.5483 1.00000
159 1.6077 1.00000
160 1.7042 1.00000
161 1.7559 1.00000
162 1.8639 1.00000
163 1.8889 1.00000
164 1.9189 1.00000
165 1.9611 1.00000
166 1.9819 1.00000
167 2.0778 1.00000
168 2.0830 1.00000
169 2.0986 1.00000
170 2.0994 1.00000
171 2.1370 1.00000
172 2.1957 1.00000
173 2.4303 1.00000
174 2.4418 1.00000
175 2.4443 1.00000
176 2.4912 1.00000
177 2.4961 1.00000
178 2.5217 1.00000
179 2.6460 1.00000
180 2.6564 1.00000
181 2.7226 1.00000
182 2.7230 1.00000
183 2.7315 1.00000
184 2.7383 1.00000
185 2.7635 1.00000
186 2.8464 1.00000
187 2.8981 1.00000
188 2.9192 1.00000
189 2.9250 1.00000
190 2.9505 1.00000
191 3.1212 1.00000
192 3.1214 1.00000
193 5.8229 0.00000
194 5.8429 0.00000
195 6.1377 0.00000
196 6.1645 0.00000
197 6.3933 0.00000
198 6.4179 0.00000
199 6.4546 0.00000
200 6.4670 0.00000
201 6.5009 0.00000
202 6.5164 0.00000
203 6.5544 0.00000
204 6.5517 0.00000
205 6.6539 0.00000
206 6.6490 0.00000
207 6.6873 0.00000
208 6.6669 0.00000
209 6.8115 0.00000
210 6.7826 0.00000
211 6.8005 0.00000
212 6.8565 0.00000
213 6.7868 0.00000
214 6.8418 0.00000
215 6.8555 0.00000
216 6.8420 0.00000
217 6.8599 0.00000
218 6.8648 0.00000
219 6.8544 0.00000
220 6.8161 0.00000
221 6.9033 0.00000
222 6.8905 0.00000
223 6.9966 0.00000
224 7.0094 0.00000
225 7.0460 0.00000
226 7.0851 0.00000
227 7.2554 0.00000
228 7.3140 0.00000
229 7.3569 0.00000
230 7.5032 0.00000
231 7.3832 0.00000
232 7.5345 0.00000
233 7.6370 0.00000
234 7.6617 0.00000
235 7.6787 0.00000
236 7.6601 0.00000
237 7.9906 0.00000
238 8.0007 0.00000
239 8.0361 0.00000
240 8.0504 0.00000
241 8.3425 0.00000
242 8.3835 0.00000
243 8.6195 0.00000
244 8.6869 0.00000
245 8.9225 0.00000
246 8.9424 0.00000
247 8.9676 0.00000
248 8.9893 0.00000
249 9.0981 0.00000
250 9.1928 0.00000
251 9.4984 0.00000
252 9.5855 0.00000
253 9.7261 0.00000
254 9.7661 0.00000
255 10.1961 0.00000
256 10.8121 0.00000
k-point 15 : 0.4167 0.0833 0.4167
band No. band energies occupation
1 -53.0919 1.00000
2 -53.0895 1.00000
3 -53.0874 1.00000
4 -53.0857 1.00000
5 -53.0815 1.00000
6 -53.0806 1.00000
7 -53.0784 1.00000
8 -53.0775 1.00000
9 -53.0610 1.00000
10 -53.0601 1.00000
11 -53.0590 1.00000
12 -53.0581 1.00000
13 -53.0571 1.00000
14 -53.0566 1.00000
15 -53.0533 1.00000
16 -53.0521 1.00000
17 -29.5250 1.00000
18 -29.5245 1.00000
19 -29.5221 1.00000
20 -29.5208 1.00000
21 -29.5206 1.00000
22 -29.5186 1.00000
23 -29.5012 1.00000
24 -29.4914 1.00000
25 -29.4741 1.00000
26 -29.4716 1.00000
27 -29.4593 1.00000
28 -29.4572 1.00000
29 -29.4134 1.00000
30 -29.4069 1.00000
31 -29.3854 1.00000
32 -29.3779 1.00000
33 -29.3690 1.00000
34 -29.3689 1.00000
35 -29.3573 1.00000
36 -29.3569 1.00000
37 -29.3363 1.00000
38 -29.3360 1.00000
39 -29.3350 1.00000
40 -29.3334 1.00000
41 -29.3307 1.00000
42 -29.3301 1.00000
43 -29.3180 1.00000
44 -29.3178 1.00000
45 -29.2818 1.00000
46 -29.2807 1.00000
47 -29.2715 1.00000
48 -29.2686 1.00000
49 -29.2434 1.00000
50 -29.2424 1.00000
51 -29.2388 1.00000
52 -29.2387 1.00000
53 -29.2358 1.00000
54 -29.2342 1.00000
55 -29.2305 1.00000
56 -29.2286 1.00000
57 -29.2190 1.00000
58 -29.2122 1.00000
59 -29.2008 1.00000
60 -29.1987 1.00000
61 -29.1984 1.00000
62 -29.1978 1.00000
63 -29.1957 1.00000
64 -29.1953 1.00000
65 -14.0195 1.00000
66 -13.9289 1.00000
67 -13.9111 1.00000
68 -13.8405 1.00000
69 -13.5372 1.00000
70 -13.5215 1.00000
71 -13.3482 1.00000
72 -13.3310 1.00000
73 -13.2826 1.00000
74 -13.2051 1.00000
75 -13.1567 1.00000
76 -13.1428 1.00000
77 -13.1243 1.00000
78 -13.1172 1.00000
79 -13.0890 1.00000
80 -13.0804 1.00000
81 -12.9523 1.00000
82 -12.9510 1.00000
83 -12.9199 1.00000
84 -12.9100 1.00000
85 -12.8570 1.00000
86 -12.8161 1.00000
87 -12.8151 1.00000
88 -12.8060 1.00000
89 -12.7950 1.00000
90 -12.7643 1.00000
91 -12.7510 1.00000
92 -12.7482 1.00000
93 -12.7272 1.00000
94 -12.7214 1.00000
95 -12.6983 1.00000
96 -12.6870 1.00000
97 -1.2817 1.00000
98 -1.2561 1.00000
99 -1.2474 1.00000
100 -1.2396 1.00000
101 -1.1902 1.00000
102 -1.1697 1.00000
103 -1.1318 1.00000
104 -1.0894 1.00000
105 -1.0654 1.00000
106 -1.0479 1.00000
107 -0.9807 1.00000
108 -0.9595 1.00000
109 -0.7914 1.00000
110 -0.7876 1.00000
111 -0.7309 1.00000
112 -0.7282 1.00000
113 -0.4931 1.00000
114 -0.4749 1.00000
115 -0.4746 1.00000
116 -0.4701 1.00000
117 -0.4566 1.00000
118 -0.4491 1.00000
119 -0.3980 1.00000
120 -0.3725 1.00000
121 -0.3555 1.00000
122 -0.3461 1.00000
123 -0.3304 1.00000
124 -0.2993 1.00000
125 -0.2537 1.00000
126 -0.2199 1.00000
127 -0.2082 1.00000
128 -0.1963 1.00000
129 -0.1901 1.00000
130 -0.1889 1.00000
131 -0.1649 1.00000
132 -0.1164 1.00000
133 0.1661 1.00000
134 0.2134 1.00000
135 0.3980 1.00000
136 0.4502 1.00000
137 0.5201 1.00000
138 0.5317 1.00000
139 0.6626 1.00000
140 0.6633 1.00000
141 0.6865 1.00000
142 0.7096 1.00000
143 0.8159 1.00000
144 0.8330 1.00000
145 0.8940 1.00000
146 0.9268 1.00000
147 0.9856 1.00000
148 1.0816 1.00000
149 1.1889 1.00000
150 1.1930 1.00000
151 1.2066 1.00000
152 1.2695 1.00000
153 1.2789 1.00000
154 1.3775 1.00000
155 1.4256 1.00000
156 1.4357 1.00000
157 1.4411 1.00000
158 1.5195 1.00000
159 1.5345 1.00000
160 1.5876 1.00000
161 1.6551 1.00000
162 1.7165 1.00000
163 1.7728 1.00000
164 1.7945 1.00000
165 1.8429 1.00000
166 1.8786 1.00000
167 1.9768 1.00000
168 2.0385 1.00000
169 2.2760 1.00000
170 2.2804 1.00000
171 2.3354 1.00000
172 2.3693 1.00000
173 2.4734 1.00000
174 2.5050 1.00000
175 2.5677 1.00000
176 2.5782 1.00000
177 2.5975 1.00000
178 2.6351 1.00000
179 2.6411 1.00000
180 2.6553 1.00000
181 2.7174 1.00000
182 2.7280 1.00000
183 2.7469 1.00000
184 2.7647 1.00000
185 2.7682 1.00000
186 2.7746 1.00000
187 2.7856 1.00000
188 2.8166 1.00000
189 2.9015 1.00000
190 2.9129 1.00000
191 3.0548 1.00000
192 3.0614 1.00000
193 6.0634 0.00000
194 6.1015 0.00000
195 6.2391 0.00000
196 6.2795 0.00000
197 6.3637 0.00000
198 6.3991 0.00000
199 6.3440 0.00000
200 6.4256 0.00000
201 6.3994 0.00000
202 6.3975 0.00000
203 6.4943 0.00000
204 6.4904 0.00000
205 6.5681 0.00000
206 6.5756 0.00000
207 6.5543 0.00000
208 6.5454 0.00000
209 6.5822 0.00000
210 6.6224 0.00000
211 6.7204 0.00000
212 6.7546 0.00000
213 6.8369 0.00000
214 6.8415 0.00000
215 6.8420 0.00000
216 6.8624 0.00000
217 6.8068 0.00000
218 6.8286 0.00000
219 6.7848 0.00000
220 6.8158 0.00000
221 6.8420 0.00000
222 6.8023 0.00000
223 6.8705 0.00000
224 6.8293 0.00000
225 7.0300 0.00000
226 7.0524 0.00000
227 7.0670 0.00000
228 7.0592 0.00000
229 7.4587 0.00000
230 7.4799 0.00000
231 7.6037 0.00000
232 7.6296 0.00000
233 7.5914 0.00000
234 7.5898 0.00000
235 7.7101 0.00000
236 7.7340 0.00000
237 7.7926 0.00000
238 7.8075 0.00000
239 7.8738 0.00000
240 7.8883 0.00000
241 8.4277 0.00000
242 8.4663 0.00000
243 8.5135 0.00000
244 8.5601 0.00000
245 9.1478 0.00000
246 9.1793 0.00000
247 9.2178 0.00000
248 9.2376 0.00000
249 9.2927 0.00000
250 9.3154 0.00000
251 9.3980 0.00000
252 9.4733 0.00000
253 9.5418 0.00000
254 9.7436 0.00000
255 9.9072 0.00000
256 10.5543 0.00000
k-point 16 : 0.2500 0.2500 0.4167
band No. band energies occupation
1 -53.0928 1.00000
2 -53.0880 1.00000
3 -53.0859 1.00000
4 -53.0859 1.00000
5 -53.0833 1.00000
6 -53.0833 1.00000
7 -53.0775 1.00000
8 -53.0756 1.00000
9 -53.0625 1.00000
10 -53.0605 1.00000
11 -53.0580 1.00000
12 -53.0580 1.00000
13 -53.0565 1.00000
14 -53.0554 1.00000
15 -53.0554 1.00000
16 -53.0517 1.00000
17 -29.5252 1.00000
18 -29.5252 1.00000
19 -29.5252 1.00000
20 -29.5171 1.00000
21 -29.5167 1.00000
22 -29.5125 1.00000
23 -29.5125 1.00000
24 -29.4875 1.00000
25 -29.4818 1.00000
26 -29.4759 1.00000
27 -29.4395 1.00000
28 -29.4395 1.00000
29 -29.4346 1.00000
30 -29.4346 1.00000
31 -29.3729 1.00000
32 -29.3728 1.00000
33 -29.3683 1.00000
34 -29.3597 1.00000
35 -29.3444 1.00000
36 -29.3436 1.00000
37 -29.3428 1.00000
38 -29.3428 1.00000
39 -29.3425 1.00000
40 -29.3411 1.00000
41 -29.3411 1.00000
42 -29.3386 1.00000
43 -29.2981 1.00000
44 -29.2981 1.00000
45 -29.2976 1.00000
46 -29.2976 1.00000
47 -29.2679 1.00000
48 -29.2632 1.00000
49 -29.2448 1.00000
50 -29.2407 1.00000
51 -29.2407 1.00000
52 -29.2391 1.00000
53 -29.2375 1.00000
54 -29.2375 1.00000
55 -29.2289 1.00000
56 -29.2245 1.00000
57 -29.2214 1.00000
58 -29.2042 1.00000
59 -29.2042 1.00000
60 -29.2019 1.00000
61 -29.2015 1.00000
62 -29.1950 1.00000
63 -29.1950 1.00000
64 -29.1950 1.00000
65 -14.0568 1.00000
66 -13.9584 1.00000
67 -13.7431 1.00000
68 -13.7431 1.00000
69 -13.6987 1.00000
70 -13.6987 1.00000
71 -13.3290 1.00000
72 -13.2626 1.00000
73 -13.2418 1.00000
74 -13.2178 1.00000
75 -13.1585 1.00000
76 -13.1334 1.00000
77 -13.0328 1.00000
78 -13.0328 1.00000
79 -13.0253 1.00000
80 -13.0253 1.00000
81 -12.9857 1.00000
82 -12.9857 1.00000
83 -12.9516 1.00000
84 -12.9470 1.00000
85 -12.9470 1.00000
86 -12.9141 1.00000
87 -12.8852 1.00000
88 -12.8380 1.00000
89 -12.7594 1.00000
90 -12.7495 1.00000
91 -12.7417 1.00000
92 -12.7417 1.00000
93 -12.7235 1.00000
94 -12.7235 1.00000
95 -12.6616 1.00000
96 -12.6420 1.00000
97 -1.3371 1.00000
98 -1.3330 1.00000
99 -1.3330 1.00000
100 -1.3238 1.00000
101 -1.3037 1.00000
102 -1.3037 1.00000
103 -1.2373 1.00000
104 -1.1957 1.00000
105 -0.8146 1.00000
106 -0.8123 1.00000
107 -0.6857 1.00000
108 -0.6857 1.00000
109 -0.6848 1.00000
110 -0.6818 1.00000
111 -0.6818 1.00000
112 -0.6748 1.00000
113 -0.5976 1.00000
114 -0.4905 1.00000
115 -0.4894 1.00000
116 -0.4894 1.00000
117 -0.4308 1.00000
118 -0.4008 1.00000
119 -0.3805 1.00000
120 -0.3421 1.00000
121 -0.3328 1.00000
122 -0.3328 1.00000
123 -0.2952 1.00000
124 -0.2952 1.00000
125 -0.2935 1.00000
126 -0.2935 1.00000
127 -0.2092 1.00000
128 -0.1805 1.00000
129 -0.0606 1.00000
130 -0.0492 1.00000
131 0.0180 1.00000
132 0.0468 1.00000
133 0.0468 1.00000
134 0.0539 1.00000
135 0.0765 1.00000
136 0.0765 1.00000
137 0.0956 1.00000
138 0.2106 1.00000
139 0.5779 1.00000
140 0.6405 1.00000
141 0.6420 1.00000
142 0.6420 1.00000
143 0.7498 1.00000
144 0.7498 1.00000
145 0.8935 1.00000
146 0.9228 1.00000
147 1.0631 1.00000
148 1.0631 1.00000
149 1.1369 1.00000
150 1.1369 1.00000
151 1.2774 1.00000
152 1.3379 1.00000
153 1.4882 1.00000
154 1.4882 1.00000
155 1.5025 1.00000
156 1.5025 1.00000
157 1.5183 1.00000
158 1.5567 1.00000
159 1.7758 1.00000
160 1.7954 1.00000
161 1.8792 1.00000
162 1.8792 1.00000
163 1.8937 1.00000
164 1.9338 1.00000
165 1.9795 1.00000
166 1.9795 1.00000
167 1.9878 1.00000
168 2.0272 1.00000
169 2.1364 1.00000
170 2.1364 1.00000
171 2.1429 1.00000
172 2.1429 1.00000
173 2.2003 1.00000
174 2.2956 1.00000
175 2.5149 1.00000
176 2.5406 1.00000
177 2.5925 1.00000
178 2.6184 1.00000
179 2.6347 1.00000
180 2.6347 1.00000
181 2.6516 1.00000
182 2.6516 1.00000
183 2.7962 1.00000
184 2.8121 1.00000
185 2.8121 1.00000
186 2.8138 1.00000
187 2.8138 1.00000
188 2.8490 1.00000
189 2.9171 1.00000
190 2.9556 1.00000
191 3.1148 1.00000
192 3.1241 1.00000
193 6.0391 0.00000
194 6.0472 0.00000
195 6.1733 0.00000
196 6.1927 0.00000
197 6.3712 0.00000
198 6.3703 0.00000
199 6.3719 0.00000
200 6.3691 0.00000
201 6.4761 0.00000
202 6.5238 0.00000
203 6.5223 0.00000
204 6.4616 0.00000
205 6.5314 0.00000
206 6.5284 0.00000
207 6.6422 0.00000
208 6.7057 0.00000
209 6.7166 0.00000
210 6.7315 0.00000
211 6.7722 0.00000
212 6.8052 0.00000
213 6.8046 0.00000
214 6.7775 0.00000
215 6.7800 0.00000
216 6.7066 0.00000
217 6.8488 0.00000
218 6.9149 0.00000
219 6.9244 0.00000
220 6.7722 0.00000
221 6.8405 0.00000
222 6.8235 0.00000
223 6.8340 0.00000
224 6.8256 0.00000
225 6.9459 0.00000
226 6.9721 0.00000
227 7.1294 0.00000
228 7.2088 0.00000
229 7.2946 0.00000
230 7.2874 0.00000
231 7.3473 0.00000
232 7.3406 0.00000
233 7.5731 0.00000
234 7.5634 0.00000
235 7.6114 0.00000
236 7.6003 0.00000
237 7.8564 0.00000
238 7.8759 0.00000
239 7.9242 0.00000
240 7.9570 0.00000
241 8.5318 0.00000
242 8.5585 0.00000
243 8.8348 0.00000
244 8.8405 0.00000
245 8.8625 0.00000
246 8.8944 0.00000
247 9.1221 0.00000
248 9.2491 0.00000
249 9.3221 0.00000
250 9.3854 0.00000
251 9.4627 0.00000
252 9.5772 0.00000
253 9.6955 0.00000
254 9.8082 0.00000
255 10.0880 0.00000
256 10.8239 0.00000
k-point 17 : 0.4167 0.2500 0.4167
band No. band energies occupation
1 -53.0909 1.00000
2 -53.0884 1.00000
3 -53.0865 1.00000
4 -53.0847 1.00000
5 -53.0837 1.00000
6 -53.0811 1.00000
7 -53.0807 1.00000
8 -53.0784 1.00000
9 -53.0607 1.00000
10 -53.0591 1.00000
11 -53.0583 1.00000
12 -53.0576 1.00000
13 -53.0570 1.00000
14 -53.0566 1.00000
15 -53.0539 1.00000
16 -53.0526 1.00000
17 -29.5255 1.00000
18 -29.5252 1.00000
19 -29.5223 1.00000
20 -29.5192 1.00000
21 -29.5147 1.00000
22 -29.5132 1.00000
23 -29.5022 1.00000
24 -29.4934 1.00000
25 -29.4651 1.00000
26 -29.4586 1.00000
27 -29.4494 1.00000
28 -29.4436 1.00000
29 -29.4183 1.00000
30 -29.4110 1.00000
31 -29.3918 1.00000
32 -29.3833 1.00000
33 -29.3681 1.00000
34 -29.3678 1.00000
35 -29.3574 1.00000
36 -29.3564 1.00000
37 -29.3443 1.00000
38 -29.3439 1.00000
39 -29.3412 1.00000
40 -29.3410 1.00000
41 -29.3302 1.00000
42 -29.3291 1.00000
43 -29.3132 1.00000
44 -29.3122 1.00000
45 -29.2899 1.00000
46 -29.2882 1.00000
47 -29.2789 1.00000
48 -29.2756 1.00000
49 -29.2441 1.00000
50 -29.2426 1.00000
51 -29.2386 1.00000
52 -29.2385 1.00000
53 -29.2379 1.00000
54 -29.2343 1.00000
55 -29.2343 1.00000
56 -29.2296 1.00000
57 -29.2141 1.00000
58 -29.2084 1.00000
59 -29.2012 1.00000
60 -29.2004 1.00000
61 -29.1969 1.00000
62 -29.1945 1.00000
63 -29.1924 1.00000
64 -29.1923 1.00000
65 -13.9503 1.00000
66 -13.8598 1.00000
67 -13.8349 1.00000
68 -13.7630 1.00000
69 -13.5971 1.00000
70 -13.5503 1.00000
71 -13.4210 1.00000
72 -13.3716 1.00000
73 -13.2512 1.00000
74 -13.1696 1.00000
75 -13.1335 1.00000
76 -13.1110 1.00000
77 -13.0872 1.00000
78 -13.0682 1.00000
79 -13.0645 1.00000
80 -13.0471 1.00000
81 -12.9957 1.00000
82 -12.9778 1.00000
83 -12.9750 1.00000
84 -12.9409 1.00000
85 -12.9117 1.00000
86 -12.9013 1.00000
87 -12.8432 1.00000
88 -12.8253 1.00000
89 -12.8188 1.00000
90 -12.8009 1.00000
91 -12.7853 1.00000
92 -12.7535 1.00000
93 -12.7242 1.00000
94 -12.7036 1.00000
95 -12.6950 1.00000
96 -12.6721 1.00000
97 -1.3345 1.00000
98 -1.3301 1.00000
99 -1.3265 1.00000
100 -1.3087 1.00000
101 -1.2780 1.00000
102 -1.2572 1.00000
103 -1.1903 1.00000
104 -1.1534 1.00000
105 -1.0661 1.00000
106 -1.0545 1.00000
107 -0.9869 1.00000
108 -0.9698 1.00000
109 -0.7135 1.00000
110 -0.7052 1.00000
111 -0.6993 1.00000
112 -0.6943 1.00000
113 -0.5534 1.00000
114 -0.5151 1.00000
115 -0.4835 1.00000
116 -0.4728 1.00000
117 -0.3737 1.00000
118 -0.3536 1.00000
119 -0.3368 1.00000
120 -0.3249 1.00000
121 -0.2694 1.00000
122 -0.2646 1.00000
123 -0.2501 1.00000
124 -0.2297 1.00000
125 -0.1866 1.00000
126 -0.1832 1.00000
127 -0.1638 1.00000
128 -0.1558 1.00000
129 -0.0048 1.00000
130 0.0182 1.00000
131 0.0245 1.00000
132 0.0592 1.00000
133 0.1027 1.00000
134 0.2279 1.00000
135 0.3313 1.00000
136 0.4481 1.00000
137 0.4827 1.00000
138 0.4853 1.00000
139 0.6653 1.00000
140 0.6659 1.00000
141 0.6960 1.00000
142 0.6962 1.00000
143 0.7242 1.00000
144 0.7367 1.00000
145 0.7554 1.00000
146 0.8336 1.00000
147 0.8612 1.00000
148 0.8647 1.00000
149 1.1651 1.00000
150 1.1778 1.00000
151 1.2140 1.00000
152 1.3045 1.00000
153 1.3266 1.00000
154 1.3524 1.00000
155 1.4013 1.00000
156 1.5208 1.00000
157 1.5595 1.00000
158 1.5972 1.00000
159 1.6158 1.00000
160 1.6695 1.00000
161 1.6807 1.00000
162 1.6883 1.00000
163 1.8219 1.00000
164 1.8379 1.00000
165 1.8624 1.00000
166 1.8788 1.00000
167 1.9994 1.00000
168 2.0224 1.00000
169 2.2182 1.00000
170 2.2563 1.00000
171 2.2923 1.00000
172 2.3122 1.00000
173 2.3277 1.00000
174 2.3647 1.00000
175 2.4111 1.00000
176 2.4598 1.00000
177 2.6281 1.00000
178 2.6393 1.00000
179 2.6456 1.00000
180 2.6561 1.00000
181 2.6647 1.00000
182 2.6702 1.00000
183 2.7005 1.00000
184 2.7206 1.00000
185 2.8815 1.00000
186 2.8892 1.00000
187 2.9072 1.00000
188 2.9534 1.00000
189 2.9588 1.00000
190 2.9775 1.00000
191 3.0678 1.00000
192 3.0884 1.00000
193 6.1828 0.00000
194 6.2037 0.00000
195 6.2775 0.00000
196 6.2628 0.00000
197 6.3054 0.00000
198 6.2917 0.00000
199 6.3695 0.00000
200 6.3738 0.00000
201 6.3541 0.00000
202 6.3364 0.00000
203 6.4859 0.00000
204 6.5115 0.00000
205 6.5032 0.00000
206 6.4899 0.00000
207 6.5605 0.00000
208 6.6016 0.00000
209 6.5803 0.00000
210 6.6558 0.00000
211 6.7074 0.00000
212 6.7269 0.00000
213 6.7450 0.00000
214 6.7885 0.00000
215 6.7511 0.00000
216 6.7381 0.00000
217 6.8926 0.00000
218 6.8226 0.00000
219 6.9045 0.00000
220 6.7424 0.00000
221 6.8042 0.00000
222 6.7684 0.00000
223 6.6753 0.00000
224 6.8428 0.00000
225 6.8802 0.00000
226 6.8619 0.00000
227 6.9854 0.00000
228 7.0627 0.00000
229 7.2429 0.00000
230 7.2971 0.00000
231 7.4359 0.00000
232 7.4277 0.00000
233 7.4817 0.00000
234 7.4679 0.00000
235 7.5991 0.00000
236 7.6467 0.00000
237 7.6516 0.00000
238 7.6779 0.00000
239 7.7549 0.00000
240 7.8002 0.00000
241 8.6430 0.00000
242 8.6567 0.00000
243 8.7347 0.00000
244 8.7559 0.00000
245 9.0307 0.00000
246 9.0556 0.00000
247 9.1842 0.00000
248 9.2463 0.00000
249 9.3913 0.00000
250 9.5197 0.00000
251 9.6249 0.00000
252 9.6756 0.00000
253 9.7568 0.00000
254 9.8635 0.00000
255 10.1709 0.00000
256 10.5464 0.00000
k-point 18 : 0.4167 0.4167 0.4167
band No. band energies occupation
1 -53.0889 1.00000
2 -53.0863 1.00000
3 -53.0863 1.00000
4 -53.0848 1.00000
5 -53.0836 1.00000
6 -53.0828 1.00000
7 -53.0828 1.00000
8 -53.0804 1.00000
9 -53.0597 1.00000
10 -53.0585 1.00000
11 -53.0585 1.00000
12 -53.0577 1.00000
13 -53.0565 1.00000
14 -53.0549 1.00000
15 -53.0549 1.00000
16 -53.0536 1.00000
17 -29.5244 1.00000
18 -29.5231 1.00000
19 -29.5231 1.00000
20 -29.5207 1.00000
21 -29.5089 1.00000
22 -29.5047 1.00000
23 -29.5047 1.00000
24 -29.4977 1.00000
25 -29.4480 1.00000
26 -29.4396 1.00000
27 -29.4301 1.00000
28 -29.4301 1.00000
29 -29.4217 1.00000
30 -29.4217 1.00000
31 -29.4079 1.00000
32 -29.3985 1.00000
33 -29.3646 1.00000
34 -29.3641 1.00000
35 -29.3565 1.00000
36 -29.3565 1.00000
37 -29.3551 1.00000
38 -29.3551 1.00000
39 -29.3530 1.00000
40 -29.3510 1.00000
41 -29.3185 1.00000
42 -29.3168 1.00000
43 -29.3037 1.00000
44 -29.3037 1.00000
45 -29.3017 1.00000
46 -29.3017 1.00000
47 -29.2910 1.00000
48 -29.2881 1.00000
49 -29.2434 1.00000
50 -29.2413 1.00000
51 -29.2413 1.00000
52 -29.2383 1.00000
53 -29.2375 1.00000
54 -29.2357 1.00000
55 -29.2357 1.00000
56 -29.2325 1.00000
57 -29.2084 1.00000
58 -29.2042 1.00000
59 -29.2042 1.00000
60 -29.2016 1.00000
61 -29.1929 1.00000
62 -29.1913 1.00000
63 -29.1913 1.00000
64 -29.1905 1.00000
65 -13.8320 1.00000
66 -13.7451 1.00000
67 -13.7016 1.00000
68 -13.7016 1.00000
69 -13.6283 1.00000
70 -13.6283 1.00000
71 -13.5483 1.00000
72 -13.4791 1.00000
73 -13.1923 1.00000
74 -13.1132 1.00000
75 -13.1012 1.00000
76 -13.1012 1.00000
77 -13.0513 1.00000
78 -13.0500 1.00000
79 -13.0388 1.00000
80 -13.0388 1.00000
81 -13.0258 1.00000
82 -12.9939 1.00000
83 -12.9827 1.00000
84 -12.9827 1.00000
85 -12.9673 1.00000
86 -12.9673 1.00000
87 -12.8989 1.00000
88 -12.8848 1.00000
89 -12.8120 1.00000
90 -12.7711 1.00000
91 -12.7640 1.00000
92 -12.7640 1.00000
93 -12.7306 1.00000
94 -12.7306 1.00000
95 -12.7289 1.00000
96 -12.6973 1.00000
97 -1.3204 1.00000
98 -1.3122 1.00000
99 -1.2780 1.00000
100 -1.2780 1.00000
101 -1.2701 1.00000
102 -1.2701 1.00000
103 -1.1642 1.00000
104 -1.1239 1.00000
105 -1.1183 1.00000
106 -1.1157 1.00000
107 -0.9915 1.00000
108 -0.9915 1.00000
109 -0.9686 1.00000
110 -0.9686 1.00000
111 -0.9507 1.00000
112 -0.9210 1.00000
113 -0.5067 1.00000
114 -0.4842 1.00000
115 -0.4842 1.00000
116 -0.4828 1.00000
117 -0.3244 1.00000
118 -0.2934 1.00000
119 -0.2934 1.00000
120 -0.2810 1.00000
121 -0.1940 1.00000
122 -0.1781 1.00000
123 -0.1781 1.00000
124 -0.1596 1.00000
125 -0.1206 1.00000
126 -0.1206 1.00000
127 -0.1202 1.00000
128 -0.1060 1.00000
129 0.1160 1.00000
130 0.2288 1.00000
131 0.3040 1.00000
132 0.3040 1.00000
133 0.3691 1.00000
134 0.3691 1.00000
135 0.4674 1.00000
136 0.5146 1.00000
137 0.5282 1.00000
138 0.5421 1.00000
139 0.6449 1.00000
140 0.6449 1.00000
141 0.6706 1.00000
142 0.6706 1.00000
143 0.7705 1.00000
144 0.7917 1.00000
145 0.8094 1.00000
146 0.8392 1.00000
147 0.9779 1.00000
148 0.9779 1.00000
149 1.0324 1.00000
150 1.0324 1.00000
151 1.0797 1.00000
152 1.1202 1.00000
153 1.2514 1.00000
154 1.2935 1.00000
155 1.3575 1.00000
156 1.3575 1.00000
157 1.3950 1.00000
158 1.3950 1.00000
159 1.4753 1.00000
160 1.5471 1.00000
161 1.6882 1.00000
162 1.7514 1.00000
163 1.7630 1.00000
164 1.7630 1.00000
165 1.8570 1.00000
166 1.8577 1.00000
167 1.8577 1.00000
168 1.9982 1.00000
169 2.2715 1.00000
170 2.3049 1.00000
171 2.3049 1.00000
172 2.3746 1.00000
173 2.3746 1.00000
174 2.3951 1.00000
175 2.4524 1.00000
176 2.5067 1.00000
177 2.5631 1.00000
178 2.5976 1.00000
179 2.5998 1.00000
180 2.5998 1.00000
181 2.6104 1.00000
182 2.6503 1.00000
183 2.6684 1.00000
184 2.6684 1.00000
185 2.9997 1.00000
186 3.0285 1.00000
187 3.0285 1.00000
188 3.0297 1.00000
189 3.0297 1.00000
190 3.0413 1.00000
191 3.0729 1.00000
192 3.0955 1.00000
193 6.2077 0.00000
194 6.2071 0.00000
195 6.2366 0.00000
196 6.2321 0.00000
197 6.2312 0.00000
198 6.2252 0.00000
199 6.2627 0.00000
200 6.2542 0.00000
201 6.4819 0.00000
202 6.5024 0.00000
203 6.4990 0.00000
204 6.5276 0.00000
205 6.5267 0.00000
206 6.5225 0.00000
207 6.5427 0.00000
208 6.5511 0.00000
209 6.6138 0.00000
210 6.6298 0.00000
211 6.6481 0.00000
212 6.6897 0.00000
213 6.6868 0.00000
214 6.7138 0.00000
215 6.7110 0.00000
216 6.7357 0.00000
217 6.6883 0.00000
218 6.7037 0.00000
219 6.6260 0.00000
220 6.6426 0.00000
221 6.6140 0.00000
222 6.6235 0.00000
223 6.5780 0.00000
224 6.5501 0.00000
225 7.0188 0.00000
226 7.0411 0.00000
227 7.1958 0.00000
228 7.1900 0.00000
229 7.2493 0.00000
230 7.2471 0.00000
231 7.2577 0.00000
232 7.3343 0.00000
233 7.4174 0.00000
234 7.4338 0.00000
235 7.4325 0.00000
236 7.4613 0.00000
237 7.4965 0.00000
238 7.4941 0.00000
239 7.5863 0.00000
240 7.6461 0.00000
241 8.7928 0.00000
242 8.8049 0.00000
243 8.9079 0.00000
244 8.9082 0.00000
245 8.9142 0.00000
246 8.9270 0.00000
247 9.0466 0.00000
248 9.0909 0.00000
249 9.5781 0.00000
250 9.6578 0.00000
251 9.7427 0.00000
252 9.8414 0.00000
253 9.9644 0.00000
254 10.0018 0.00000
255 10.0756 0.00000
256 10.2827 0.00000
spin component 2
k-point 1 : 0.0833 0.0833 0.0833
band No. band energies occupation
1 -53.1004 1.00000
2 -53.0863 1.00000
3 -53.0863 1.00000
4 -53.0828 1.00000
5 -53.0828 1.00000
6 -53.0765 1.00000
7 -53.0721 1.00000
8 -53.0692 1.00000
9 -53.0689 1.00000
10 -53.0680 1.00000
11 -53.0648 1.00000
12 -53.0585 1.00000
13 -53.0585 1.00000
14 -53.0550 1.00000
15 -53.0550 1.00000
16 -53.0452 1.00000
17 -29.5511 1.00000
18 -29.5367 1.00000
19 -29.5367 1.00000
20 -29.5226 1.00000
21 -29.5226 1.00000
22 -29.5223 1.00000
23 -29.5117 1.00000
24 -29.5095 1.00000
25 -29.4999 1.00000
26 -29.4326 1.00000
27 -29.4326 1.00000
28 -29.4300 1.00000
29 -29.4300 1.00000
30 -29.3957 1.00000
31 -29.3725 1.00000
32 -29.3700 1.00000
33 -29.3673 1.00000
34 -29.3645 1.00000
35 -29.3577 1.00000
36 -29.3409 1.00000
37 -29.3313 1.00000
38 -29.3313 1.00000
39 -29.3301 1.00000
40 -29.3286 1.00000
41 -29.3286 1.00000
42 -29.3245 1.00000
43 -29.3223 1.00000
44 -29.3080 1.00000
45 -29.3080 1.00000
46 -29.3065 1.00000
47 -29.3065 1.00000
48 -29.2554 1.00000
49 -29.2537 1.00000
50 -29.2415 1.00000
51 -29.2415 1.00000
52 -29.2386 1.00000
53 -29.2386 1.00000
54 -29.2321 1.00000
55 -29.2321 1.00000
56 -29.2193 1.00000
57 -29.2117 1.00000
58 -29.2102 1.00000
59 -29.2018 1.00000
60 -29.2014 1.00000
61 -29.2014 1.00000
62 -29.1904 1.00000
63 -29.1904 1.00000
64 -29.1764 1.00000
65 -14.2924 1.00000
66 -13.8095 1.00000
67 -13.7935 1.00000
68 -13.7935 1.00000
69 -13.7404 1.00000
70 -13.7404 1.00000
71 -13.6661 1.00000
72 -13.2806 1.00000
73 -13.1851 1.00000
74 -13.1019 1.00000
75 -13.0672 1.00000
76 -13.0672 1.00000
77 -13.0574 1.00000
78 -13.0574 1.00000
79 -13.0537 1.00000
80 -13.0452 1.00000
81 -12.9844 1.00000
82 -12.9657 1.00000
83 -12.8997 1.00000
84 -12.8805 1.00000
85 -12.8805 1.00000
86 -12.8201 1.00000
87 -12.8179 1.00000
88 -12.8179 1.00000
89 -12.7660 1.00000
90 -12.7660 1.00000
91 -12.7588 1.00000
92 -12.7588 1.00000
93 -12.6735 1.00000
94 -12.6515 1.00000
95 -12.6463 1.00000
96 -12.6199 1.00000
97 -1.2428 1.00000
98 -1.2428 1.00000
99 -1.2069 1.00000
100 -1.1687 1.00000
101 -1.1574 1.00000
102 -1.0670 1.00000
103 -1.0670 1.00000
104 -1.0167 1.00000
105 -0.9594 1.00000
106 -0.9309 1.00000
107 -0.9309 1.00000
108 -0.7755 1.00000
109 -0.7210 1.00000
110 -0.6873 1.00000
111 -0.6630 1.00000
112 -0.6630 1.00000
113 -0.6197 1.00000
114 -0.5412 1.00000
115 -0.5217 1.00000
116 -0.4996 1.00000
117 -0.4845 1.00000
118 -0.4764 1.00000
119 -0.4764 1.00000
120 -0.4523 1.00000
121 -0.4523 1.00000
122 -0.4323 1.00000
123 -0.4323 1.00000
124 -0.4171 1.00000
125 -0.4171 1.00000
126 -0.4028 1.00000
127 -0.3863 1.00000
128 -0.3746 1.00000
129 -0.3682 1.00000
130 -0.3266 1.00000
131 -0.3192 1.00000
132 -0.1200 1.00000
133 0.1888 1.00000
134 0.1888 1.00000
135 0.2599 1.00000
136 0.2599 1.00000
137 0.5564 1.00000
138 0.5687 1.00000
139 0.5954 1.00000
140 0.5954 1.00000
141 0.6852 1.00000
142 0.7599 1.00000
143 0.8925 1.00000
144 0.8925 1.00000
145 1.0964 1.00000
146 1.1017 1.00000
147 1.1017 1.00000
148 1.2107 1.00000
149 1.2107 1.00000
150 1.2368 1.00000
151 1.2435 1.00000
152 1.2624 1.00000
153 1.2684 1.00000
154 1.2684 1.00000
155 1.2943 1.00000
156 1.3086 1.00000
157 1.3630 1.00000
158 1.3733 1.00000
159 1.3733 1.00000
160 1.4189 1.00000
161 1.5864 1.00000
162 1.9962 1.00000
163 2.0106 1.00000
164 2.0120 1.00000
165 2.0120 1.00000
166 2.0331 1.00000
167 2.0711 1.00000
168 2.1199 1.00000
169 2.1199 1.00000
170 2.3160 1.00000
171 2.3160 1.00000
172 2.3571 1.00000
173 2.3571 1.00000
174 2.4171 1.00000
175 2.4171 1.00000
176 2.4306 1.00000
177 2.4306 1.00000
178 2.4628 1.00000
179 2.4643 1.00000
180 2.4702 1.00000
181 2.4702 1.00000
182 2.5047 1.00000
183 2.5047 1.00000
184 2.5320 1.00000
185 2.7852 1.00000
186 2.8988 1.00000
187 3.1379 1.00000
188 3.1458 1.00000
189 3.1672 1.00000
190 3.2314 1.00000
191 3.2541 1.00000
192 3.2981 1.00000
193 5.5160 0.00000
194 5.7756 0.00000
195 5.8591 0.00000
196 6.1404 0.00000
197 6.5216 0.00000
198 6.5603 0.00000
199 6.5561 0.00000
200 6.5711 0.00000
201 6.5944 0.00000
202 6.5930 0.00000
203 6.5795 0.00000
204 6.6402 0.00000
205 6.6939 0.00000
206 6.6924 0.00000
207 6.7001 0.00000
208 6.6986 0.00000
209 6.8191 0.00000
210 6.8165 0.00000
211 6.8563 0.00000
212 6.8520 0.00000
213 6.8819 0.00000
214 6.8774 0.00000
215 6.9224 0.00000
216 6.9182 0.00000
217 6.9332 0.00000
218 7.0240 0.00000
219 7.0272 0.00000
220 6.9907 0.00000
221 7.0046 0.00000
222 7.0609 0.00000
223 7.1643 0.00000
224 7.2177 0.00000
225 7.2570 0.00000
226 7.2999 0.00000
227 7.4112 0.00000
228 7.4027 0.00000
229 7.5057 0.00000
230 7.4980 0.00000
231 7.6110 0.00000
232 7.6091 0.00000
233 7.6658 0.00000
234 7.6620 0.00000
235 7.7294 0.00000
236 7.7205 0.00000
237 8.1084 0.00000
238 8.1343 0.00000
239 8.1312 0.00000
240 8.1654 0.00000
241 8.2873 0.00000
242 8.3872 0.00000
243 8.4481 0.00000
244 8.5968 0.00000
245 8.6930 0.00000
246 8.6975 0.00000
247 8.7365 0.00000
248 8.7791 0.00000
249 8.8865 0.00000
250 9.1486 0.00000
251 9.3944 0.00000
252 9.5431 0.00000
253 9.5937 0.00000
254 9.6272 0.00000
255 9.7731 0.00000
256 9.8311 0.00000
k-point 2 : 0.2500 0.0833 0.0833
band No. band energies occupation
1 -53.0991 1.00000
2 -53.0900 1.00000
3 -53.0850 1.00000
4 -53.0815 1.00000
5 -53.0797 1.00000
6 -53.0762 1.00000
7 -53.0759 1.00000
8 -53.0724 1.00000
9 -53.0689 1.00000
10 -53.0651 1.00000
11 -53.0621 1.00000
12 -53.0616 1.00000
13 -53.0592 1.00000
14 -53.0556 1.00000
15 -53.0518 1.00000
16 -53.0459 1.00000
17 -29.5503 1.00000
18 -29.5441 1.00000
19 -29.5358 1.00000
20 -29.5288 1.00000
21 -29.5219 1.00000
22 -29.5164 1.00000
23 -29.5005 1.00000
24 -29.4929 1.00000
25 -29.4836 1.00000
26 -29.4390 1.00000
27 -29.4352 1.00000
28 -29.4246 1.00000
29 -29.4161 1.00000
30 -29.4111 1.00000
31 -29.3754 1.00000
32 -29.3714 1.00000
33 -29.3687 1.00000
34 -29.3587 1.00000
35 -29.3551 1.00000
36 -29.3408 1.00000
37 -29.3398 1.00000
38 -29.3397 1.00000
39 -29.3392 1.00000
40 -29.3341 1.00000
41 -29.3264 1.00000
42 -29.3230 1.00000
43 -29.3184 1.00000
44 -29.3152 1.00000
45 -29.3130 1.00000
46 -29.3077 1.00000
47 -29.3009 1.00000
48 -29.2633 1.00000
49 -29.2528 1.00000
50 -29.2447 1.00000
51 -29.2417 1.00000
52 -29.2379 1.00000
53 -29.2361 1.00000
54 -29.2324 1.00000
55 -29.2315 1.00000
56 -29.2278 1.00000
57 -29.2205 1.00000
58 -29.2124 1.00000
59 -29.2039 1.00000
60 -29.1995 1.00000
61 -29.1943 1.00000
62 -29.1887 1.00000
63 -29.1813 1.00000
64 -29.1743 1.00000
65 -14.2288 1.00000
66 -13.8783 1.00000
67 -13.7676 1.00000
68 -13.7149 1.00000
69 -13.7099 1.00000
70 -13.6552 1.00000
71 -13.6086 1.00000
72 -13.2428 1.00000
73 -13.1900 1.00000
74 -13.1566 1.00000
75 -13.1185 1.00000
76 -13.0901 1.00000
77 -13.0832 1.00000
78 -13.0727 1.00000
79 -13.0452 1.00000
80 -13.0183 1.00000
81 -13.0127 1.00000
82 -13.0083 1.00000
83 -12.9372 1.00000
84 -12.9090 1.00000
85 -12.8763 1.00000
86 -12.8689 1.00000
87 -12.8077 1.00000
88 -12.8014 1.00000
89 -12.7794 1.00000
90 -12.7580 1.00000
91 -12.7479 1.00000
92 -12.7170 1.00000
93 -12.7147 1.00000
94 -12.6888 1.00000
95 -12.6708 1.00000
96 -12.6288 1.00000
97 -1.3750 1.00000
98 -1.3142 1.00000
99 -1.2978 1.00000
100 -1.2411 1.00000
101 -1.2350 1.00000
102 -1.1820 1.00000
103 -1.0781 1.00000
104 -1.0343 1.00000
105 -0.9454 1.00000
106 -0.9315 1.00000
107 -0.7705 1.00000
108 -0.7462 1.00000
109 -0.7338 1.00000
110 -0.7075 1.00000
111 -0.6943 1.00000
112 -0.6694 1.00000
113 -0.6297 1.00000
114 -0.6073 1.00000
115 -0.5614 1.00000
116 -0.5376 1.00000
117 -0.5193 1.00000
118 -0.4773 1.00000
119 -0.4754 1.00000
120 -0.4549 1.00000
121 -0.4544 1.00000
122 -0.4206 1.00000
123 -0.3908 1.00000
124 -0.2835 1.00000
125 -0.2786 1.00000
126 -0.2781 1.00000
127 -0.2699 1.00000
128 -0.1948 1.00000
129 -0.1119 1.00000
130 -0.0736 1.00000
131 -0.0081 1.00000
132 -0.0044 1.00000
133 0.1856 1.00000
134 0.1976 1.00000
135 0.2065 1.00000
136 0.2454 1.00000
137 0.4210 1.00000
138 0.4495 1.00000
139 0.5005 1.00000
140 0.5921 1.00000
141 0.7079 1.00000
142 0.7791 1.00000
143 0.8431 1.00000
144 0.8687 1.00000
145 0.9779 1.00000
146 1.0268 1.00000
147 1.0504 1.00000
148 1.0680 1.00000
149 1.0681 1.00000
150 1.1463 1.00000
151 1.1583 1.00000
152 1.1775 1.00000
153 1.2088 1.00000
154 1.2253 1.00000
155 1.2623 1.00000
156 1.3032 1.00000
157 1.4231 1.00000
158 1.4722 1.00000
159 1.5540 1.00000
160 1.7512 1.00000
161 1.7950 1.00000
162 1.8663 1.00000
163 1.9065 1.00000
164 1.9932 1.00000
165 2.0365 1.00000
166 2.0550 1.00000
167 2.0751 1.00000
168 2.1027 1.00000
169 2.1983 1.00000
170 2.2634 1.00000
171 2.2946 1.00000
172 2.3360 1.00000
173 2.3766 1.00000
174 2.4206 1.00000
175 2.4285 1.00000
176 2.4646 1.00000
177 2.4788 1.00000
178 2.4865 1.00000
179 2.5191 1.00000
180 2.5383 1.00000
181 2.5730 1.00000
182 2.5735 1.00000
183 2.6259 1.00000
184 2.6446 1.00000
185 2.6881 1.00000
186 2.9202 1.00000
187 2.9472 1.00000
188 2.9697 1.00000
189 3.0330 1.00000
190 3.1259 1.00000
191 3.2496 1.00000
192 3.2841 1.00000
193 5.8029 0.00000
194 5.8939 0.00000
195 6.0849 0.00000
196 6.1943 0.00000
197 6.3954 0.00000
198 6.4426 0.00000
199 6.4600 0.00000
200 6.4948 0.00000
201 6.4971 0.00000
202 6.5049 0.00000
203 6.4982 0.00000
204 6.5522 0.00000
205 6.5840 0.00000
206 6.6377 0.00000
207 6.6717 0.00000
208 6.6835 0.00000
209 6.7890 0.00000
210 6.8314 0.00000
211 6.8474 0.00000
212 6.8732 0.00000
213 6.8575 0.00000
214 6.8339 0.00000
215 6.8262 0.00000
216 6.8462 0.00000
217 6.9072 0.00000
218 6.8939 0.00000
219 6.9936 0.00000
220 6.9576 0.00000
221 6.9901 0.00000
222 7.0476 0.00000
223 7.0121 0.00000
224 7.0418 0.00000
225 7.0661 0.00000
226 7.1748 0.00000
227 7.2728 0.00000
228 7.3535 0.00000
229 7.3738 0.00000
230 7.4624 0.00000
231 7.4703 0.00000
232 7.5523 0.00000
233 7.6292 0.00000
234 7.7122 0.00000
235 7.7126 0.00000
236 7.6770 0.00000
237 7.9650 0.00000
238 7.9880 0.00000
239 8.0507 0.00000
240 8.0903 0.00000
241 8.3924 0.00000
242 8.5873 0.00000
243 8.6370 0.00000
244 8.7085 0.00000
245 8.7381 0.00000
246 8.8193 0.00000
247 8.9381 0.00000
248 8.9891 0.00000
249 9.2035 0.00000
250 9.2707 0.00000
251 9.3931 0.00000
252 9.4776 0.00000
253 9.6026 0.00000
254 9.8043 0.00000
255 9.8510 0.00000
256 9.9212 0.00000
k-point 3 : 0.4167 0.0833 0.0833
band No. band energies occupation
1 -53.0968 1.00000
2 -53.0937 1.00000
3 -53.0827 1.00000
4 -53.0795 1.00000
5 -53.0792 1.00000
6 -53.0775 1.00000
7 -53.0763 1.00000
8 -53.0760 1.00000
9 -53.0678 1.00000
10 -53.0654 1.00000
11 -53.0625 1.00000
12 -53.0605 1.00000
13 -53.0589 1.00000
14 -53.0569 1.00000
15 -53.0492 1.00000
16 -53.0472 1.00000
17 -29.5491 1.00000
18 -29.5474 1.00000
19 -29.5343 1.00000
20 -29.5322 1.00000
21 -29.5206 1.00000
22 -29.5190 1.00000
23 -29.4720 1.00000
24 -29.4715 1.00000
25 -29.4641 1.00000
26 -29.4525 1.00000
27 -29.4467 1.00000
28 -29.4394 1.00000
29 -29.4095 1.00000
30 -29.3930 1.00000
31 -29.3922 1.00000
32 -29.3653 1.00000
33 -29.3652 1.00000
34 -29.3635 1.00000
35 -29.3536 1.00000
36 -29.3536 1.00000
37 -29.3446 1.00000
38 -29.3411 1.00000
39 -29.3387 1.00000
40 -29.3368 1.00000
41 -29.3286 1.00000
42 -29.3256 1.00000
43 -29.3248 1.00000
44 -29.3237 1.00000
45 -29.3109 1.00000
46 -29.3079 1.00000
47 -29.2904 1.00000
48 -29.2765 1.00000
49 -29.2507 1.00000
50 -29.2479 1.00000
51 -29.2399 1.00000
52 -29.2351 1.00000
53 -29.2349 1.00000
54 -29.2343 1.00000
55 -29.2331 1.00000
56 -29.2288 1.00000
57 -29.2285 1.00000
58 -29.2219 1.00000
59 -29.1995 1.00000
60 -29.1982 1.00000
61 -29.1893 1.00000
62 -29.1876 1.00000
63 -29.1753 1.00000
64 -29.1731 1.00000
65 -14.1190 1.00000
66 -13.9924 1.00000
67 -13.7295 1.00000
68 -13.7122 1.00000
69 -13.5587 1.00000
70 -13.5006 1.00000
71 -13.4709 1.00000
72 -13.3714 1.00000
73 -13.3076 1.00000
74 -13.2743 1.00000
75 -13.1847 1.00000
76 -13.1295 1.00000
77 -13.0986 1.00000
78 -13.0690 1.00000
79 -13.0595 1.00000
80 -13.0121 1.00000
81 -12.9496 1.00000
82 -12.9461 1.00000
83 -12.9372 1.00000
84 -12.9289 1.00000
85 -12.8920 1.00000
86 -12.8465 1.00000
87 -12.8269 1.00000
88 -12.7872 1.00000
89 -12.7664 1.00000
90 -12.7565 1.00000
91 -12.7442 1.00000
92 -12.7423 1.00000
93 -12.7279 1.00000
94 -12.7215 1.00000
95 -12.7187 1.00000
96 -12.6745 1.00000
97 -1.3087 1.00000
98 -1.2728 1.00000
99 -1.2414 1.00000
100 -1.2214 1.00000
101 -1.2100 1.00000
102 -1.2013 1.00000
103 -1.1354 1.00000
104 -1.0811 1.00000
105 -1.0170 1.00000
106 -1.0163 1.00000
107 -1.0108 1.00000
108 -0.9448 1.00000
109 -0.9392 1.00000
110 -0.9093 1.00000
111 -0.6668 1.00000
112 -0.6560 1.00000
113 -0.6469 1.00000
114 -0.6403 1.00000
115 -0.5073 1.00000
116 -0.5026 1.00000
117 -0.5004 1.00000
118 -0.4835 1.00000
119 -0.4799 1.00000
120 -0.4697 1.00000
121 -0.4524 1.00000
122 -0.4315 1.00000
123 -0.3269 1.00000
124 -0.2863 1.00000
125 -0.1725 1.00000
126 -0.0977 1.00000
127 -0.0975 1.00000
128 -0.0254 1.00000
129 -0.0093 1.00000
130 0.0846 1.00000
131 0.2187 1.00000
132 0.2286 1.00000
133 0.2805 1.00000
134 0.2991 1.00000
135 0.3283 1.00000
136 0.4797 1.00000
137 0.5159 1.00000
138 0.5956 1.00000
139 0.6801 1.00000
140 0.6862 1.00000
141 0.7038 1.00000
142 0.7466 1.00000
143 0.7508 1.00000
144 0.8012 1.00000
145 0.8528 1.00000
146 0.8701 1.00000
147 0.9597 1.00000
148 1.0339 1.00000
149 1.0424 1.00000
150 1.0702 1.00000
151 1.1347 1.00000
152 1.1574 1.00000
153 1.1672 1.00000
154 1.1813 1.00000
155 1.2267 1.00000
156 1.3088 1.00000
157 1.3637 1.00000
158 1.4414 1.00000
159 1.4444 1.00000
160 1.4641 1.00000
161 1.7492 1.00000
162 1.7579 1.00000
163 1.8160 1.00000
164 1.8811 1.00000
165 1.9053 1.00000
166 2.0472 1.00000
167 2.0697 1.00000
168 2.1064 1.00000
169 2.1378 1.00000
170 2.2335 1.00000
171 2.3239 1.00000
172 2.4172 1.00000
173 2.4311 1.00000
174 2.4550 1.00000
175 2.4587 1.00000
176 2.5267 1.00000
177 2.5533 1.00000
178 2.5843 1.00000
179 2.6107 1.00000
180 2.6132 1.00000
181 2.7015 1.00000
182 2.7273 1.00000
183 2.7421 1.00000
184 2.7498 1.00000
185 2.7912 1.00000
186 2.8428 1.00000
187 2.9021 1.00000
188 2.9318 1.00000
189 2.9571 1.00000
190 2.9617 1.00000
191 3.1508 1.00000
192 3.1763 1.00000
193 6.0408 0.00000
194 6.2139 0.00000
195 6.2160 0.00000
196 6.3007 0.00000
197 6.3731 0.00000
198 6.3827 0.00000
199 6.3804 0.00000
200 6.4218 0.00000
201 6.4289 0.00000
202 6.4589 0.00000
203 6.4006 0.00000
204 6.4555 0.00000
205 6.4464 0.00000
206 6.4957 0.00000
207 6.5595 0.00000
208 6.5777 0.00000
209 6.5787 0.00000
210 6.6311 0.00000
211 6.7303 0.00000
212 6.7863 0.00000
213 6.7854 0.00000
214 6.8254 0.00000
215 6.8084 0.00000
216 6.8484 0.00000
217 6.8455 0.00000
218 6.8315 0.00000
219 6.8816 0.00000
220 6.9088 0.00000
221 7.0014 0.00000
222 6.9829 0.00000
223 6.9813 0.00000
224 7.0333 0.00000
225 7.0679 0.00000
226 7.0394 0.00000
227 7.1361 0.00000
228 7.1457 0.00000
229 7.4708 0.00000
230 7.5529 0.00000
231 7.6024 0.00000
232 7.6045 0.00000
233 7.5294 0.00000
234 7.6278 0.00000
235 7.7356 0.00000
236 7.7525 0.00000
237 7.7760 0.00000
238 7.7969 0.00000
239 7.8985 0.00000
240 7.9479 0.00000
241 8.4660 0.00000
242 8.5460 0.00000
243 8.6147 0.00000
244 8.6850 0.00000
245 9.0238 0.00000
246 9.1221 0.00000
247 9.1734 0.00000
248 9.1939 0.00000
249 9.2092 0.00000
250 9.3193 0.00000
251 9.3689 0.00000
252 9.4616 0.00000
253 9.6066 0.00000
254 9.7993 0.00000
255 9.9923 0.00000
256 10.0466 0.00000
k-point 4 : 0.2500 0.2500 0.0833
band No. band energies occupation
1 -53.0979 1.00000
2 -53.0888 1.00000
3 -53.0888 1.00000
4 -53.0796 1.00000
5 -53.0785 1.00000
6 -53.0785 1.00000
7 -53.0757 1.00000
8 -53.0704 1.00000
9 -53.0689 1.00000
10 -53.0676 1.00000
11 -53.0628 1.00000
12 -53.0628 1.00000
13 -53.0584 1.00000
14 -53.0524 1.00000
15 -53.0524 1.00000
16 -53.0465 1.00000
17 -29.5496 1.00000
18 -29.5432 1.00000
19 -29.5432 1.00000
20 -29.5358 1.00000
21 -29.5005 1.00000
22 -29.5001 1.00000
23 -29.5001 1.00000
24 -29.4939 1.00000
25 -29.4679 1.00000
26 -29.4331 1.00000
27 -29.4331 1.00000
28 -29.4208 1.00000
29 -29.4208 1.00000
30 -29.4189 1.00000
31 -29.3934 1.00000
32 -29.3700 1.00000
33 -29.3635 1.00000
34 -29.3556 1.00000
35 -29.3482 1.00000
36 -29.3462 1.00000
37 -29.3416 1.00000
38 -29.3416 1.00000
39 -29.3373 1.00000
40 -29.3373 1.00000
41 -29.3362 1.00000
42 -29.3306 1.00000
43 -29.3173 1.00000
44 -29.3152 1.00000
45 -29.3152 1.00000
46 -29.3067 1.00000
47 -29.3067 1.00000
48 -29.2690 1.00000
49 -29.2540 1.00000
50 -29.2458 1.00000
51 -29.2458 1.00000
52 -29.2352 1.00000
53 -29.2347 1.00000
54 -29.2347 1.00000
55 -29.2318 1.00000
56 -29.2307 1.00000
57 -29.2163 1.00000
58 -29.2122 1.00000
59 -29.2105 1.00000
60 -29.2105 1.00000
61 -29.1862 1.00000
62 -29.1796 1.00000
63 -29.1796 1.00000
64 -29.1724 1.00000
65 -14.1629 1.00000
66 -13.7977 1.00000
67 -13.7977 1.00000
68 -13.7060 1.00000
69 -13.6289 1.00000
70 -13.6289 1.00000
71 -13.5705 1.00000
72 -13.3119 1.00000
73 -13.2028 1.00000
74 -13.1303 1.00000
75 -13.1070 1.00000
76 -13.0527 1.00000
77 -13.0527 1.00000
78 -13.0501 1.00000
79 -13.0489 1.00000
80 -13.0419 1.00000
81 -13.0419 1.00000
82 -13.0046 1.00000
83 -13.0046 1.00000
84 -12.9956 1.00000
85 -12.8963 1.00000
86 -12.8963 1.00000
87 -12.8705 1.00000
88 -12.7845 1.00000
89 -12.7734 1.00000
90 -12.7725 1.00000
91 -12.7725 1.00000
92 -12.7226 1.00000
93 -12.7042 1.00000
94 -12.7036 1.00000
95 -12.7036 1.00000
96 -12.6189 1.00000
97 -1.3720 1.00000
98 -1.3665 1.00000
99 -1.3665 1.00000
100 -1.3186 1.00000
101 -1.3045 1.00000
102 -1.2511 1.00000
103 -1.2511 1.00000
104 -1.1247 1.00000
105 -0.8633 1.00000
106 -0.7993 1.00000
107 -0.7748 1.00000
108 -0.7387 1.00000
109 -0.7287 1.00000
110 -0.7287 1.00000
111 -0.6952 1.00000
112 -0.6952 1.00000
113 -0.6804 1.00000
114 -0.6804 1.00000
115 -0.6718 1.00000
116 -0.6408 1.00000
117 -0.4330 1.00000
118 -0.3769 1.00000
119 -0.3769 1.00000
120 -0.3653 1.00000
121 -0.2462 1.00000
122 -0.2462 1.00000
123 -0.2379 1.00000
124 -0.2214 1.00000
125 -0.1865 1.00000
126 -0.0943 1.00000
127 -0.0645 1.00000
128 -0.0645 1.00000
129 -0.0150 1.00000
130 -0.0084 1.00000
131 0.0009 1.00000
132 0.0550 1.00000
133 0.2013 1.00000
134 0.2013 1.00000
135 0.2280 1.00000
136 0.2280 1.00000
137 0.3564 1.00000
138 0.4307 1.00000
139 0.4307 1.00000
140 0.5064 1.00000
141 0.5593 1.00000
142 0.5789 1.00000
143 0.8110 1.00000
144 0.8110 1.00000
145 0.9209 1.00000
146 0.9209 1.00000
147 0.9612 1.00000
148 0.9788 1.00000
149 1.0656 1.00000
150 1.1186 1.00000
151 1.1186 1.00000
152 1.1765 1.00000
153 1.2546 1.00000
154 1.2546 1.00000
155 1.3819 1.00000
156 1.4839 1.00000
157 1.4977 1.00000
158 1.4977 1.00000
159 1.5418 1.00000
160 1.7267 1.00000
161 1.7732 1.00000
162 1.8055 1.00000
163 2.0095 1.00000
164 2.0095 1.00000
165 2.1226 1.00000
166 2.1226 1.00000
167 2.1278 1.00000
168 2.1461 1.00000
169 2.1957 1.00000
170 2.1957 1.00000
171 2.1958 1.00000
172 2.2664 1.00000
173 2.2699 1.00000
174 2.2699 1.00000
175 2.2754 1.00000
176 2.3768 1.00000
177 2.5470 1.00000
178 2.5470 1.00000
179 2.5966 1.00000
180 2.6238 1.00000
181 2.6238 1.00000
182 2.7059 1.00000
183 2.7059 1.00000
184 2.7768 1.00000
185 2.7831 1.00000
186 2.7831 1.00000
187 2.8334 1.00000
188 2.8892 1.00000
189 3.0248 1.00000
190 3.1276 1.00000
191 3.1963 1.00000
192 3.2669 1.00000
193 6.0353 0.00000
194 6.0964 0.00000
195 6.1265 0.00000
196 6.2098 0.00000
197 6.3740 0.00000
198 6.3834 0.00000
199 6.3822 0.00000
200 6.3778 0.00000
201 6.3748 0.00000
202 6.4699 0.00000
203 6.5316 0.00000
204 6.5296 0.00000
205 6.5300 0.00000
206 6.5662 0.00000
207 6.5647 0.00000
208 6.6734 0.00000
209 6.6906 0.00000
210 6.7096 0.00000
211 6.8264 0.00000
212 6.8250 0.00000
213 6.8460 0.00000
214 6.7857 0.00000
215 6.7753 0.00000
216 6.8716 0.00000
217 6.8746 0.00000
218 6.8911 0.00000
219 6.8853 0.00000
220 6.9062 0.00000
221 6.9686 0.00000
222 6.9636 0.00000
223 7.0285 0.00000
224 7.0571 0.00000
225 6.9633 0.00000
226 7.1165 0.00000
227 7.1070 0.00000
228 7.2221 0.00000
229 7.2153 0.00000
230 7.2575 0.00000
231 7.4107 0.00000
232 7.4078 0.00000
233 7.5268 0.00000
234 7.5185 0.00000
235 7.6703 0.00000
236 7.6609 0.00000
237 7.8203 0.00000
238 7.8980 0.00000
239 7.8935 0.00000
240 8.0166 0.00000
241 8.6861 0.00000
242 8.7328 0.00000
243 8.8330 0.00000
244 8.8882 0.00000
245 8.8955 0.00000
246 8.9103 0.00000
247 8.9513 0.00000
248 9.1471 0.00000
249 9.4035 0.00000
250 9.4202 0.00000
251 9.4541 0.00000
252 9.5004 0.00000
253 9.6534 0.00000
254 9.8132 0.00000
255 9.9465 0.00000
256 10.0224 0.00000
k-point 5 : 0.4167 0.2500 0.0833
band No. band energies occupation
1 -53.0956 1.00000
2 -53.0924 1.00000
3 -53.0865 1.00000
4 -53.0833 1.00000
5 -53.0764 1.00000
6 -53.0762 1.00000
7 -53.0754 1.00000
8 -53.0732 1.00000
9 -53.0681 1.00000
10 -53.0660 1.00000
11 -53.0659 1.00000
12 -53.0640 1.00000
13 -53.0557 1.00000
14 -53.0537 1.00000
15 -53.0498 1.00000
16 -53.0478 1.00000
17 -29.5483 1.00000
18 -29.5465 1.00000
19 -29.5416 1.00000
20 -29.5394 1.00000
21 -29.4996 1.00000
22 -29.4992 1.00000
23 -29.4731 1.00000
24 -29.4717 1.00000
25 -29.4503 1.00000
26 -29.4487 1.00000
27 -29.4414 1.00000
28 -29.4316 1.00000
29 -29.4217 1.00000
30 -29.4090 1.00000
31 -29.3977 1.00000
32 -29.3707 1.00000
33 -29.3639 1.00000
34 -29.3583 1.00000
35 -29.3523 1.00000
36 -29.3510 1.00000
37 -29.3439 1.00000
38 -29.3406 1.00000
39 -29.3378 1.00000
40 -29.3357 1.00000
41 -29.3340 1.00000
42 -29.3330 1.00000
43 -29.3286 1.00000
44 -29.3184 1.00000
45 -29.3155 1.00000
46 -29.3148 1.00000
47 -29.2956 1.00000
48 -29.2815 1.00000
49 -29.2527 1.00000
50 -29.2496 1.00000
51 -29.2452 1.00000
52 -29.2414 1.00000
53 -29.2325 1.00000
54 -29.2316 1.00000
55 -29.2307 1.00000
56 -29.2272 1.00000
57 -29.2238 1.00000
58 -29.2202 1.00000
59 -29.2100 1.00000
60 -29.2091 1.00000
61 -29.1808 1.00000
62 -29.1788 1.00000
63 -29.1737 1.00000
64 -29.1714 1.00000
65 -14.0487 1.00000
66 -13.9166 1.00000
67 -13.6533 1.00000
68 -13.6476 1.00000
69 -13.6262 1.00000
70 -13.4776 1.00000
71 -13.4727 1.00000
72 -13.4532 1.00000
73 -13.2778 1.00000
74 -13.2610 1.00000
75 -13.1412 1.00000
76 -13.0829 1.00000
77 -13.0764 1.00000
78 -13.0550 1.00000
79 -13.0512 1.00000
80 -13.0231 1.00000
81 -13.0119 1.00000
82 -12.9949 1.00000
83 -12.9677 1.00000
84 -12.9308 1.00000
85 -12.9053 1.00000
86 -12.9032 1.00000
87 -12.8699 1.00000
88 -12.8405 1.00000
89 -12.8283 1.00000
90 -12.7969 1.00000
91 -12.7591 1.00000
92 -12.7522 1.00000
93 -12.7385 1.00000
94 -12.7159 1.00000
95 -12.6800 1.00000
96 -12.6454 1.00000
97 -1.3513 1.00000
98 -1.3513 1.00000
99 -1.3329 1.00000
100 -1.3000 1.00000
101 -1.2837 1.00000
102 -1.2455 1.00000
103 -1.2209 1.00000
104 -1.0917 1.00000
105 -1.0716 1.00000
106 -1.0319 1.00000
107 -1.0159 1.00000
108 -0.9436 1.00000
109 -0.8186 1.00000
110 -0.7687 1.00000
111 -0.7337 1.00000
112 -0.7109 1.00000
113 -0.6997 1.00000
114 -0.6926 1.00000
115 -0.6852 1.00000
116 -0.6610 1.00000
117 -0.3688 1.00000
118 -0.3615 1.00000
119 -0.2929 1.00000
120 -0.2408 1.00000
121 -0.1877 1.00000
122 -0.1465 1.00000
123 -0.1287 1.00000
124 -0.1282 1.00000
125 -0.0640 1.00000
126 -0.0613 1.00000
127 -0.0500 1.00000
128 0.0016 1.00000
129 0.0293 1.00000
130 0.1750 1.00000
131 0.2378 1.00000
132 0.2485 1.00000
133 0.2655 1.00000
134 0.2776 1.00000
135 0.3610 1.00000
136 0.4929 1.00000
137 0.5015 1.00000
138 0.5378 1.00000
139 0.5477 1.00000
140 0.6152 1.00000
141 0.6514 1.00000
142 0.6518 1.00000
143 0.6902 1.00000
144 0.7327 1.00000
145 0.7527 1.00000
146 0.7998 1.00000
147 0.8042 1.00000
148 0.8558 1.00000
149 0.9490 1.00000
150 0.9531 1.00000
151 1.2351 1.00000
152 1.2804 1.00000
153 1.2996 1.00000
154 1.3151 1.00000
155 1.3222 1.00000
156 1.3548 1.00000
157 1.4549 1.00000
158 1.4860 1.00000
159 1.5079 1.00000
160 1.5654 1.00000
161 1.6512 1.00000
162 1.6787 1.00000
163 1.7629 1.00000
164 1.8067 1.00000
165 1.9373 1.00000
166 1.9515 1.00000
167 2.0265 1.00000
168 2.1877 1.00000
169 2.2033 1.00000
170 2.2296 1.00000
171 2.2612 1.00000
172 2.2740 1.00000
173 2.2870 1.00000
174 2.4128 1.00000
175 2.4381 1.00000
176 2.4616 1.00000
177 2.5919 1.00000
178 2.6163 1.00000
179 2.6346 1.00000
180 2.6375 1.00000
181 2.6633 1.00000
182 2.6987 1.00000
183 2.7481 1.00000
184 2.7957 1.00000
185 2.8290 1.00000
186 2.9243 1.00000
187 2.9293 1.00000
188 3.0008 1.00000
189 3.0096 1.00000
190 3.0306 1.00000
191 3.1156 1.00000
192 3.1757 1.00000
193 6.1755 0.00000
194 6.2450 0.00000
195 6.2695 0.00000
196 6.3071 0.00000
197 6.3096 0.00000
198 6.3153 0.00000
199 6.3720 0.00000
200 6.3934 0.00000
201 6.3496 0.00000
202 6.4123 0.00000
203 6.4497 0.00000
204 6.4718 0.00000
205 6.4687 0.00000
206 6.4523 0.00000
207 6.4874 0.00000
208 6.5172 0.00000
209 6.5201 0.00000
210 6.7245 0.00000
211 6.7709 0.00000
212 6.7777 0.00000
213 6.7074 0.00000
214 6.8148 0.00000
215 6.8181 0.00000
216 6.7378 0.00000
217 6.8656 0.00000
218 6.8689 0.00000
219 6.9127 0.00000
220 6.8832 0.00000
221 6.8673 0.00000
222 6.9402 0.00000
223 6.9498 0.00000
224 7.0023 0.00000
225 6.8585 0.00000
226 7.0052 0.00000
227 6.9003 0.00000
228 7.1002 0.00000
229 7.2386 0.00000
230 7.3647 0.00000
231 7.3676 0.00000
232 7.4004 0.00000
233 7.5124 0.00000
234 7.5306 0.00000
235 7.5487 0.00000
236 7.5902 0.00000
237 7.6790 0.00000
238 7.7323 0.00000
239 7.7328 0.00000
240 7.8773 0.00000
241 8.7861 0.00000
242 8.7945 0.00000
243 8.8382 0.00000
244 8.8564 0.00000
245 9.0676 0.00000
246 9.1159 0.00000
247 9.1660 0.00000
248 9.2429 0.00000
249 9.3398 0.00000
250 9.4096 0.00000
251 9.4806 0.00000
252 9.5619 0.00000
253 9.6371 0.00000
254 9.8010 0.00000
255 10.0417 0.00000
256 10.0983 0.00000
k-point 6 : 0.4167 0.4167 0.0833
band No. band energies occupation
1 -53.0933 1.00000
2 -53.0901 1.00000
3 -53.0901 1.00000
4 -53.0869 1.00000
5 -53.0743 1.00000
6 -53.0743 1.00000
7 -53.0741 1.00000
8 -53.0723 1.00000
9 -53.0683 1.00000
10 -53.0678 1.00000
11 -53.0670 1.00000
12 -53.0670 1.00000
13 -53.0531 1.00000
14 -53.0511 1.00000
15 -53.0511 1.00000
16 -53.0491 1.00000
17 -29.5470 1.00000
18 -29.5451 1.00000
19 -29.5451 1.00000
20 -29.5430 1.00000
21 -29.4784 1.00000
22 -29.4729 1.00000
23 -29.4729 1.00000
24 -29.4667 1.00000
25 -29.4493 1.00000
26 -29.4436 1.00000
27 -29.4436 1.00000
28 -29.4316 1.00000
29 -29.4284 1.00000
30 -29.4094 1.00000
31 -29.4094 1.00000
32 -29.3860 1.00000
33 -29.3592 1.00000
34 -29.3513 1.00000
35 -29.3496 1.00000
36 -29.3496 1.00000
37 -29.3456 1.00000
38 -29.3456 1.00000
39 -29.3444 1.00000
40 -29.3398 1.00000
41 -29.3382 1.00000
42 -29.3267 1.00000
43 -29.3267 1.00000
44 -29.3222 1.00000
45 -29.3206 1.00000
46 -29.3066 1.00000
47 -29.3066 1.00000
48 -29.2927 1.00000
49 -29.2526 1.00000
50 -29.2497 1.00000
51 -29.2497 1.00000
52 -29.2467 1.00000
53 -29.2286 1.00000
54 -29.2282 1.00000
55 -29.2282 1.00000
56 -29.2251 1.00000
57 -29.2226 1.00000
58 -29.2187 1.00000
59 -29.2187 1.00000
60 -29.2177 1.00000
61 -29.1752 1.00000
62 -29.1729 1.00000
63 -29.1729 1.00000
64 -29.1707 1.00000
65 -13.9259 1.00000
66 -13.7826 1.00000
67 -13.7826 1.00000
68 -13.6233 1.00000
69 -13.5229 1.00000
70 -13.4715 1.00000
71 -13.4715 1.00000
72 -13.4040 1.00000
73 -13.3042 1.00000
74 -13.2460 1.00000
75 -13.2460 1.00000
76 -13.2120 1.00000
77 -13.0739 1.00000
78 -13.0302 1.00000
79 -13.0108 1.00000
80 -13.0108 1.00000
81 -12.9589 1.00000
82 -12.9589 1.00000
83 -12.9531 1.00000
84 -12.9449 1.00000
85 -12.9244 1.00000
86 -12.9244 1.00000
87 -12.9073 1.00000
88 -12.9016 1.00000
89 -12.8346 1.00000
90 -12.8286 1.00000
91 -12.8286 1.00000
92 -12.8010 1.00000
93 -12.7245 1.00000
94 -12.6918 1.00000
95 -12.6918 1.00000
96 -12.6610 1.00000
97 -1.3340 1.00000
98 -1.2848 1.00000
99 -1.2848 1.00000
100 -1.2805 1.00000
101 -1.2583 1.00000
102 -1.2583 1.00000
103 -1.2484 1.00000
104 -1.1146 1.00000
105 -1.0730 1.00000
106 -1.0663 1.00000
107 -1.0327 1.00000
108 -1.0314 1.00000
109 -1.0314 1.00000
110 -0.9373 1.00000
111 -0.9373 1.00000
112 -0.8877 1.00000
113 -0.7687 1.00000
114 -0.7223 1.00000
115 -0.7223 1.00000
116 -0.6879 1.00000
117 -0.2308 1.00000
118 -0.2308 1.00000
119 -0.1912 1.00000
120 -0.1516 1.00000
121 -0.1430 1.00000
122 -0.1205 1.00000
123 -0.0047 1.00000
124 -0.0047 1.00000
125 -0.0023 1.00000
126 0.0470 1.00000
127 0.0470 1.00000
128 0.1740 1.00000
129 0.2734 1.00000
130 0.3517 1.00000
131 0.3894 1.00000
132 0.3894 1.00000
133 0.4385 1.00000
134 0.4385 1.00000
135 0.4860 1.00000
136 0.5065 1.00000
137 0.5737 1.00000
138 0.6141 1.00000
139 0.6141 1.00000
140 0.6281 1.00000
141 0.6286 1.00000
142 0.6627 1.00000
143 0.6689 1.00000
144 0.6689 1.00000
145 0.6806 1.00000
146 0.7428 1.00000
147 0.7428 1.00000
148 0.7568 1.00000
149 0.9811 1.00000
150 0.9867 1.00000
151 0.9867 1.00000
152 1.1123 1.00000
153 1.3011 1.00000
154 1.3138 1.00000
155 1.3357 1.00000
156 1.3357 1.00000
157 1.3519 1.00000
158 1.4484 1.00000
159 1.4809 1.00000
160 1.4809 1.00000
161 1.5163 1.00000
162 1.5163 1.00000
163 1.6226 1.00000
164 1.6618 1.00000
165 1.8772 1.00000
166 1.9740 1.00000
167 1.9740 1.00000
168 2.0428 1.00000
169 2.1981 1.00000
170 2.2126 1.00000
171 2.2443 1.00000
172 2.2443 1.00000
173 2.3218 1.00000
174 2.3218 1.00000
175 2.3284 1.00000
176 2.5259 1.00000
177 2.6105 1.00000
178 2.7016 1.00000
179 2.7016 1.00000
180 2.7173 1.00000
181 2.7235 1.00000
182 2.8084 1.00000
183 2.8084 1.00000
184 2.8489 1.00000
185 2.9390 1.00000
186 2.9390 1.00000
187 2.9540 1.00000
188 3.0500 1.00000
189 3.0500 1.00000
190 3.0649 1.00000
191 3.0876 1.00000
192 3.1342 1.00000
193 6.2285 0.00000
194 6.2537 0.00000
195 6.2529 0.00000
196 6.2626 0.00000
197 6.2989 0.00000
198 6.3173 0.00000
199 6.3110 0.00000
200 6.3458 0.00000
201 6.3510 0.00000
202 6.4200 0.00000
203 6.4148 0.00000
204 6.4153 0.00000
205 6.4157 0.00000
206 6.4095 0.00000
207 6.4328 0.00000
208 6.4444 0.00000
209 6.6610 0.00000
210 6.7615 0.00000
211 6.7698 0.00000
212 6.7687 0.00000
213 6.7799 0.00000
214 6.6737 0.00000
215 6.8075 0.00000
216 6.7052 0.00000
217 6.6992 0.00000
218 6.8200 0.00000
219 6.8133 0.00000
220 6.8094 0.00000
221 6.7018 0.00000
222 6.9514 0.00000
223 6.9521 0.00000
224 6.9618 0.00000
225 6.9824 0.00000
226 7.0798 0.00000
227 7.0760 0.00000
228 7.1024 0.00000
229 7.1369 0.00000
230 7.2859 0.00000
231 7.2774 0.00000
232 7.3336 0.00000
233 7.3431 0.00000
234 7.3394 0.00000
235 7.4222 0.00000
236 7.4945 0.00000
237 7.5043 0.00000
238 7.5826 0.00000
239 7.5798 0.00000
240 7.7297 0.00000
241 8.8997 0.00000
242 8.9832 0.00000
243 8.9864 0.00000
244 9.0666 0.00000
245 9.0824 0.00000
246 9.0900 0.00000
247 9.1718 0.00000
248 9.1924 0.00000
249 9.2664 0.00000
250 9.3139 0.00000
251 9.3282 0.00000
252 9.5296 0.00000
253 9.9869 0.00000
254 10.0850 0.00000
255 10.1521 0.00000
256 10.1720 0.00000
k-point 7 : 0.0833 0.0833 0.2500
band No. band energies occupation
1 -53.0985 1.00000
2 -53.0859 1.00000
3 -53.0859 1.00000
4 -53.0835 1.00000
5 -53.0833 1.00000
6 -53.0833 1.00000
7 -53.0718 1.00000
8 -53.0698 1.00000
9 -53.0670 1.00000
10 -53.0651 1.00000
11 -53.0622 1.00000
12 -53.0580 1.00000
13 -53.0580 1.00000
14 -53.0554 1.00000
15 -53.0554 1.00000
16 -53.0471 1.00000
17 -29.5389 1.00000
18 -29.5322 1.00000
19 -29.5322 1.00000
20 -29.5212 1.00000
21 -29.5212 1.00000
22 -29.5211 1.00000
23 -29.5140 1.00000
24 -29.5074 1.00000
25 -29.5010 1.00000
26 -29.4406 1.00000
27 -29.4401 1.00000
28 -29.4401 1.00000
29 -29.4371 1.00000
30 -29.4371 1.00000
31 -29.3730 1.00000
32 -29.3722 1.00000
33 -29.3651 1.00000
34 -29.3640 1.00000
35 -29.3460 1.00000
36 -29.3403 1.00000
37 -29.3311 1.00000
38 -29.3311 1.00000
39 -29.3291 1.00000
40 -29.3291 1.00000
41 -29.3282 1.00000
42 -29.3258 1.00000
43 -29.3003 1.00000
44 -29.3003 1.00000
45 -29.3000 1.00000
46 -29.3000 1.00000
47 -29.2923 1.00000
48 -29.2519 1.00000
49 -29.2501 1.00000
50 -29.2410 1.00000
51 -29.2410 1.00000
52 -29.2388 1.00000
53 -29.2388 1.00000
54 -29.2345 1.00000
55 -29.2341 1.00000
56 -29.2184 1.00000
57 -29.2133 1.00000
58 -29.2085 1.00000
59 -29.2029 1.00000
60 -29.2028 1.00000
61 -29.2028 1.00000
62 -29.1944 1.00000
63 -29.1944 1.00000
64 -29.1892 1.00000
65 -14.2541 1.00000
66 -13.9497 1.00000
67 -13.7862 1.00000
68 -13.7862 1.00000
69 -13.7473 1.00000
70 -13.7473 1.00000
71 -13.5301 1.00000
72 -13.2840 1.00000
73 -13.2059 1.00000
74 -13.1515 1.00000
75 -13.0665 1.00000
76 -13.0665 1.00000
77 -13.0593 1.00000
78 -13.0593 1.00000
79 -13.0476 1.00000
80 -13.0032 1.00000
81 -12.9854 1.00000
82 -12.9478 1.00000
83 -12.9057 1.00000
84 -12.8779 1.00000
85 -12.8779 1.00000
86 -12.8400 1.00000
87 -12.8344 1.00000
88 -12.8344 1.00000
89 -12.7588 1.00000
90 -12.7588 1.00000
91 -12.7511 1.00000
92 -12.7511 1.00000
93 -12.6708 1.00000
94 -12.6565 1.00000
95 -12.6404 1.00000
96 -12.6227 1.00000
97 -1.2293 1.00000
98 -1.2293 1.00000
99 -1.1763 1.00000
100 -1.1529 1.00000
101 -1.1245 1.00000
102 -1.1159 1.00000
103 -1.1159 1.00000
104 -1.0519 1.00000
105 -0.8744 1.00000
106 -0.8685 1.00000
107 -0.8685 1.00000
108 -0.8145 1.00000
109 -0.7131 1.00000
110 -0.6974 1.00000
111 -0.6974 1.00000
112 -0.6656 1.00000
113 -0.5759 1.00000
114 -0.5364 1.00000
115 -0.5156 1.00000
116 -0.5127 1.00000
117 -0.4801 1.00000
118 -0.4409 1.00000
119 -0.4388 1.00000
120 -0.4388 1.00000
121 -0.4293 1.00000
122 -0.4293 1.00000
123 -0.4188 1.00000
124 -0.4188 1.00000
125 -0.3982 1.00000
126 -0.3982 1.00000
127 -0.3925 1.00000
128 -0.3850 1.00000
129 -0.3792 1.00000
130 -0.3561 1.00000
131 -0.3163 1.00000
132 -0.1793 1.00000
133 0.0782 1.00000
134 0.0782 1.00000
135 0.0822 1.00000
136 0.0822 1.00000
137 0.3830 1.00000
138 0.4267 1.00000
139 0.5697 1.00000
140 0.6056 1.00000
141 0.8111 1.00000
142 0.8111 1.00000
143 1.0476 1.00000
144 1.0476 1.00000
145 1.1086 1.00000
146 1.1086 1.00000
147 1.1553 1.00000
148 1.1553 1.00000
149 1.2303 1.00000
150 1.2346 1.00000
151 1.2788 1.00000
152 1.2941 1.00000
153 1.3143 1.00000
154 1.3143 1.00000
155 1.3652 1.00000
156 1.3773 1.00000
157 1.3773 1.00000
158 1.4380 1.00000
159 1.4788 1.00000
160 1.6597 1.00000
161 1.7428 1.00000
162 1.7627 1.00000
163 1.7627 1.00000
164 1.8768 1.00000
165 1.8768 1.00000
166 1.9309 1.00000
167 2.0433 1.00000
168 2.0667 1.00000
169 2.1473 1.00000
170 2.3548 1.00000
171 2.3651 1.00000
172 2.4036 1.00000
173 2.4036 1.00000
174 2.4110 1.00000
175 2.4110 1.00000
176 2.4246 1.00000
177 2.4246 1.00000
178 2.4351 1.00000
179 2.4351 1.00000
180 2.4888 1.00000
181 2.5833 1.00000
182 2.5833 1.00000
183 2.5865 1.00000
184 2.5865 1.00000
185 2.8707 1.00000
186 2.9525 1.00000
187 3.0948 1.00000
188 3.1052 1.00000
189 3.1288 1.00000
190 3.1323 1.00000
191 3.1948 1.00000
192 3.2156 1.00000
193 5.5368 0.00000
194 5.6979 0.00000
195 5.9406 0.00000
196 6.1180 0.00000
197 6.5320 0.00000
198 6.5306 0.00000
199 6.5500 0.00000
200 6.5494 0.00000
201 6.5769 0.00000
202 6.6066 0.00000
203 6.6490 0.00000
204 6.6843 0.00000
205 6.7178 0.00000
206 6.7154 0.00000
207 6.7246 0.00000
208 6.7204 0.00000
209 6.8370 0.00000
210 6.8323 0.00000
211 6.8580 0.00000
212 6.8542 0.00000
213 6.8843 0.00000
214 6.8808 0.00000
215 6.8760 0.00000
216 6.9121 0.00000
217 6.9066 0.00000
218 6.9189 0.00000
219 6.9750 0.00000
220 7.0326 0.00000
221 7.0389 0.00000
222 6.9936 0.00000
223 7.1314 0.00000
224 7.1522 0.00000
225 7.3221 0.00000
226 7.3082 0.00000
227 7.4012 0.00000
228 7.3895 0.00000
229 7.5089 0.00000
230 7.5015 0.00000
231 7.5712 0.00000
232 7.5658 0.00000
233 7.6898 0.00000
234 7.6816 0.00000
235 7.7264 0.00000
236 7.7166 0.00000
237 8.1095 0.00000
238 8.1324 0.00000
239 8.1327 0.00000
240 8.1587 0.00000
241 8.2120 0.00000
242 8.3439 0.00000
243 8.4994 0.00000
244 8.6718 0.00000
245 8.6959 0.00000
246 8.7048 0.00000
247 8.7164 0.00000
248 8.7388 0.00000
249 8.8518 0.00000
250 9.0251 0.00000
251 9.5337 0.00000
252 9.5430 0.00000
253 9.6660 0.00000
254 9.7418 0.00000
255 9.8153 0.00000
256 10.0776 0.00000
k-point 8 : 0.2500 0.0833 0.2500
band No. band energies occupation
1 -53.0973 1.00000
2 -53.0890 1.00000
3 -53.0846 1.00000
4 -53.0829 1.00000
5 -53.0820 1.00000
6 -53.0817 1.00000
7 -53.0755 1.00000
8 -53.0730 1.00000
9 -53.0645 1.00000
10 -53.0622 1.00000
11 -53.0619 1.00000
12 -53.0602 1.00000
13 -53.0586 1.00000
14 -53.0560 1.00000
15 -53.0528 1.00000
16 -53.0477 1.00000
17 -29.5387 1.00000
18 -29.5372 1.00000
19 -29.5316 1.00000
20 -29.5266 1.00000
21 -29.5207 1.00000
22 -29.5172 1.00000
23 -29.5035 1.00000
24 -29.4927 1.00000
25 -29.4856 1.00000
26 -29.4475 1.00000
27 -29.4451 1.00000
28 -29.4415 1.00000
29 -29.4317 1.00000
30 -29.4226 1.00000
31 -29.3728 1.00000
32 -29.3719 1.00000
33 -29.3652 1.00000
34 -29.3551 1.00000
35 -29.3536 1.00000
36 -29.3441 1.00000
37 -29.3417 1.00000
38 -29.3402 1.00000
39 -29.3397 1.00000
40 -29.3334 1.00000
41 -29.3277 1.00000
42 -29.3263 1.00000
43 -29.3083 1.00000
44 -29.3075 1.00000
45 -29.2977 1.00000
46 -29.2953 1.00000
47 -29.2885 1.00000
48 -29.2598 1.00000
49 -29.2494 1.00000
50 -29.2434 1.00000
51 -29.2406 1.00000
52 -29.2377 1.00000
53 -29.2371 1.00000
54 -29.2347 1.00000
55 -29.2323 1.00000
56 -29.2262 1.00000
57 -29.2207 1.00000
58 -29.2117 1.00000
59 -29.2035 1.00000
60 -29.2006 1.00000
61 -29.1961 1.00000
62 -29.1923 1.00000
63 -29.1876 1.00000
64 -29.1859 1.00000
65 -14.1917 1.00000
66 -13.8976 1.00000
67 -13.8593 1.00000
68 -13.7405 1.00000
69 -13.7024 1.00000
70 -13.6623 1.00000
71 -13.4825 1.00000
72 -13.2440 1.00000
73 -13.1814 1.00000
74 -13.1791 1.00000
75 -13.1293 1.00000
76 -13.1266 1.00000
77 -13.0869 1.00000
78 -13.0668 1.00000
79 -13.0343 1.00000
80 -13.0180 1.00000
81 -13.0108 1.00000
82 -12.9595 1.00000
83 -12.9293 1.00000
84 -12.9281 1.00000
85 -12.8853 1.00000
86 -12.8652 1.00000
87 -12.8224 1.00000
88 -12.8205 1.00000
89 -12.7678 1.00000
90 -12.7511 1.00000
91 -12.7419 1.00000
92 -12.7206 1.00000
93 -12.7122 1.00000
94 -12.6926 1.00000
95 -12.6636 1.00000
96 -12.6336 1.00000
97 -1.3626 1.00000
98 -1.2976 1.00000
99 -1.2853 1.00000
100 -1.2676 1.00000
101 -1.2217 1.00000
102 -1.1599 1.00000
103 -1.1201 1.00000
104 -1.0684 1.00000
105 -0.8672 1.00000
106 -0.8666 1.00000
107 -0.7720 1.00000
108 -0.7516 1.00000
109 -0.7376 1.00000
110 -0.7231 1.00000
111 -0.6705 1.00000
112 -0.6334 1.00000
113 -0.6244 1.00000
114 -0.5805 1.00000
115 -0.5331 1.00000
116 -0.5113 1.00000
117 -0.4954 1.00000
118 -0.4794 1.00000
119 -0.4494 1.00000
120 -0.4375 1.00000
121 -0.4263 1.00000
122 -0.3940 1.00000
123 -0.3764 1.00000
124 -0.3240 1.00000
125 -0.3150 1.00000
126 -0.2931 1.00000
127 -0.2648 1.00000
128 -0.2421 1.00000
129 -0.1579 1.00000
130 -0.1394 1.00000
131 -0.0156 1.00000
132 -0.0060 1.00000
133 0.0673 1.00000
134 0.0746 1.00000
135 0.0812 1.00000
136 0.1336 1.00000
137 0.2506 1.00000
138 0.3242 1.00000
139 0.6358 1.00000
140 0.6722 1.00000
141 0.6840 1.00000
142 0.7104 1.00000
143 0.8478 1.00000
144 0.9370 1.00000
145 0.9993 1.00000
146 1.0663 1.00000
147 1.0764 1.00000
148 1.1228 1.00000
149 1.1335 1.00000
150 1.1874 1.00000
151 1.2348 1.00000
152 1.2776 1.00000
153 1.2824 1.00000
154 1.2973 1.00000
155 1.3026 1.00000
156 1.3519 1.00000
157 1.4656 1.00000
158 1.5353 1.00000
159 1.5548 1.00000
160 1.6834 1.00000
161 1.8227 1.00000
162 1.9229 1.00000
163 1.9567 1.00000
164 1.9810 1.00000
165 2.0157 1.00000
166 2.0273 1.00000
167 2.0332 1.00000
168 2.0757 1.00000
169 2.0998 1.00000
170 2.1150 1.00000
171 2.1229 1.00000
172 2.3107 1.00000
173 2.3723 1.00000
174 2.4200 1.00000
175 2.4523 1.00000
176 2.4564 1.00000
177 2.4890 1.00000
178 2.5538 1.00000
179 2.6230 1.00000
180 2.6295 1.00000
181 2.6621 1.00000
182 2.6664 1.00000
183 2.6714 1.00000
184 2.6760 1.00000
185 2.6867 1.00000
186 2.9084 1.00000
187 2.9127 1.00000
188 2.9667 1.00000
189 2.9681 1.00000
190 3.0286 1.00000
191 3.1949 1.00000
192 3.2080 1.00000
193 5.8115 0.00000
194 5.8720 0.00000
195 6.1081 0.00000
196 6.1856 0.00000
197 6.3958 0.00000
198 6.4561 0.00000
199 6.4604 0.00000
200 6.4839 0.00000
201 6.4944 0.00000
202 6.5124 0.00000
203 6.5237 0.00000
204 6.5523 0.00000
205 6.6323 0.00000
206 6.6651 0.00000
207 6.6710 0.00000
208 6.6527 0.00000
209 6.8340 0.00000
210 6.8137 0.00000
211 6.8019 0.00000
212 6.8736 0.00000
213 6.8477 0.00000
214 6.8659 0.00000
215 6.8579 0.00000
216 6.8439 0.00000
217 6.8476 0.00000
218 6.8982 0.00000
219 7.0036 0.00000
220 6.9494 0.00000
221 6.9610 0.00000
222 6.9575 0.00000
223 6.9938 0.00000
224 7.0410 0.00000
225 7.0520 0.00000
226 7.1577 0.00000
227 7.2656 0.00000
228 7.3516 0.00000
229 7.3684 0.00000
230 7.4744 0.00000
231 7.4418 0.00000
232 7.5493 0.00000
233 7.6280 0.00000
234 7.6947 0.00000
235 7.7040 0.00000
236 7.6829 0.00000
237 7.9722 0.00000
238 7.9912 0.00000
239 8.0414 0.00000
240 8.0744 0.00000
241 8.3449 0.00000
242 8.4751 0.00000
243 8.6155 0.00000
244 8.6850 0.00000
245 8.8244 0.00000
246 8.8848 0.00000
247 8.9515 0.00000
248 9.0197 0.00000
249 9.1813 0.00000
250 9.2714 0.00000
251 9.4573 0.00000
252 9.5397 0.00000
253 9.5966 0.00000
254 9.7621 0.00000
255 9.8276 0.00000
256 10.1378 0.00000
k-point 9 : 0.4167 0.0833 0.2500
band No. band energies occupation
1 -53.0951 1.00000
2 -53.0922 1.00000
3 -53.0823 1.00000
4 -53.0820 1.00000
5 -53.0814 1.00000
6 -53.0797 1.00000
7 -53.0791 1.00000
8 -53.0766 1.00000
9 -53.0621 1.00000
10 -53.0619 1.00000
11 -53.0615 1.00000
12 -53.0599 1.00000
13 -53.0593 1.00000
14 -53.0573 1.00000
15 -53.0506 1.00000
16 -53.0488 1.00000
17 -29.5386 1.00000
18 -29.5385 1.00000
19 -29.5306 1.00000
20 -29.5292 1.00000
21 -29.5199 1.00000
22 -29.5190 1.00000
23 -29.4819 1.00000
24 -29.4735 1.00000
25 -29.4673 1.00000
26 -29.4617 1.00000
27 -29.4564 1.00000
28 -29.4514 1.00000
29 -29.4143 1.00000
30 -29.3987 1.00000
31 -29.3906 1.00000
32 -29.3703 1.00000
33 -29.3672 1.00000
34 -29.3669 1.00000
35 -29.3560 1.00000
36 -29.3554 1.00000
37 -29.3399 1.00000
38 -29.3384 1.00000
39 -29.3381 1.00000
40 -29.3359 1.00000
41 -29.3268 1.00000
42 -29.3264 1.00000
43 -29.3228 1.00000
44 -29.3215 1.00000
45 -29.2935 1.00000
46 -29.2893 1.00000
47 -29.2857 1.00000
48 -29.2727 1.00000
49 -29.2479 1.00000
50 -29.2458 1.00000
51 -29.2383 1.00000
52 -29.2358 1.00000
53 -29.2351 1.00000
54 -29.2343 1.00000
55 -29.2332 1.00000
56 -29.2284 1.00000
57 -29.2273 1.00000
58 -29.2200 1.00000
59 -29.1997 1.00000
60 -29.1989 1.00000
61 -29.1919 1.00000
62 -29.1907 1.00000
63 -29.1836 1.00000
64 -29.1831 1.00000
65 -14.0849 1.00000
66 -13.9642 1.00000
67 -13.8235 1.00000
68 -13.7658 1.00000
69 -13.5508 1.00000
70 -13.5082 1.00000
71 -13.3807 1.00000
72 -13.3630 1.00000
73 -13.3161 1.00000
74 -13.2241 1.00000
75 -13.1810 1.00000
76 -13.1244 1.00000
77 -13.1241 1.00000
78 -13.0952 1.00000
79 -13.0725 1.00000
80 -13.0371 1.00000
81 -12.9514 1.00000
82 -12.9482 1.00000
83 -12.9263 1.00000
84 -12.9020 1.00000
85 -12.8992 1.00000
86 -12.8258 1.00000
87 -12.8232 1.00000
88 -12.7950 1.00000
89 -12.7834 1.00000
90 -12.7542 1.00000
91 -12.7460 1.00000
92 -12.7406 1.00000
93 -12.7358 1.00000
94 -12.7201 1.00000
95 -12.7103 1.00000
96 -12.6787 1.00000
97 -1.2998 1.00000
98 -1.2618 1.00000
99 -1.2403 1.00000
100 -1.2288 1.00000
101 -1.2095 1.00000
102 -1.1728 1.00000
103 -1.1507 1.00000
104 -1.0766 1.00000
105 -1.0497 1.00000
106 -1.0290 1.00000
107 -1.0027 1.00000
108 -0.9449 1.00000
109 -0.8666 1.00000
110 -0.8629 1.00000
111 -0.6904 1.00000
112 -0.6778 1.00000
113 -0.5944 1.00000
114 -0.5876 1.00000
115 -0.4947 1.00000
116 -0.4733 1.00000
117 -0.4727 1.00000
118 -0.4587 1.00000
119 -0.4449 1.00000
120 -0.4381 1.00000
121 -0.4375 1.00000
122 -0.4006 1.00000
123 -0.3218 1.00000
124 -0.3024 1.00000
125 -0.2065 1.00000
126 -0.1416 1.00000
127 -0.1392 1.00000
128 -0.1056 1.00000
129 -0.0922 1.00000
130 -0.0298 1.00000
131 0.0324 1.00000
132 0.0603 1.00000
133 0.1740 1.00000
134 0.2623 1.00000
135 0.3537 1.00000
136 0.4829 1.00000
137 0.5154 1.00000
138 0.5526 1.00000
139 0.6598 1.00000
140 0.6650 1.00000
141 0.7359 1.00000
142 0.7673 1.00000
143 0.8282 1.00000
144 0.8285 1.00000
145 0.8296 1.00000
146 0.8645 1.00000
147 0.9492 1.00000
148 1.1040 1.00000
149 1.1317 1.00000
150 1.1623 1.00000
151 1.1871 1.00000
152 1.2071 1.00000
153 1.2192 1.00000
154 1.2518 1.00000
155 1.2992 1.00000
156 1.3472 1.00000
157 1.4606 1.00000
158 1.4778 1.00000
159 1.4894 1.00000
160 1.5505 1.00000
161 1.5990 1.00000
162 1.7537 1.00000
163 1.7588 1.00000
164 1.8073 1.00000
165 1.9292 1.00000
166 1.9884 1.00000
167 1.9950 1.00000
168 2.1019 1.00000
169 2.2161 1.00000
170 2.3100 1.00000
171 2.3239 1.00000
172 2.3493 1.00000
173 2.4450 1.00000
174 2.4964 1.00000
175 2.5248 1.00000
176 2.5319 1.00000
177 2.5876 1.00000
178 2.5943 1.00000
179 2.6278 1.00000
180 2.6716 1.00000
181 2.6925 1.00000
182 2.7054 1.00000
183 2.7312 1.00000
184 2.7604 1.00000
185 2.7898 1.00000
186 2.7918 1.00000
187 2.8638 1.00000
188 2.8692 1.00000
189 2.9342 1.00000
190 2.9343 1.00000
191 3.1176 1.00000
192 3.1200 1.00000
193 6.0482 0.00000
194 6.1592 0.00000
195 6.2245 0.00000
196 6.3374 0.00000
197 6.3579 0.00000
198 6.3765 0.00000
199 6.4043 0.00000
200 6.3978 0.00000
201 6.4266 0.00000
202 6.4508 0.00000
203 6.4710 0.00000
204 6.4813 0.00000
205 6.5317 0.00000
206 6.5343 0.00000
207 6.5608 0.00000
208 6.5767 0.00000
209 6.6004 0.00000
210 6.6777 0.00000
211 6.7118 0.00000
212 6.7805 0.00000
213 6.8044 0.00000
214 6.8348 0.00000
215 6.8236 0.00000
216 6.8224 0.00000
217 6.8529 0.00000
218 6.8665 0.00000
219 6.8263 0.00000
220 6.8918 0.00000
221 7.0155 0.00000
222 6.9408 0.00000
223 6.9328 0.00000
224 6.9772 0.00000
225 6.9738 0.00000
226 7.0701 0.00000
227 7.1230 0.00000
228 7.1164 0.00000
229 7.4767 0.00000
230 7.5743 0.00000
231 7.5419 0.00000
232 7.6144 0.00000
233 7.6080 0.00000
234 7.6226 0.00000
235 7.7208 0.00000
236 7.7664 0.00000
237 7.7717 0.00000
238 7.7932 0.00000
239 7.8852 0.00000
240 7.9245 0.00000
241 8.4265 0.00000
242 8.5174 0.00000
243 8.5494 0.00000
244 8.6090 0.00000
245 9.1099 0.00000
246 9.1449 0.00000
247 9.1534 0.00000
248 9.2414 0.00000
249 9.2883 0.00000
250 9.2969 0.00000
251 9.3965 0.00000
252 9.4297 0.00000
253 9.5215 0.00000
254 9.6801 0.00000
255 9.9708 0.00000
256 10.0653 0.00000
k-point 10 : 0.2500 0.2500 0.2500
band No. band energies occupation
1 -53.0962 1.00000
2 -53.0878 1.00000
3 -53.0878 1.00000
4 -53.0822 1.00000
5 -53.0805 1.00000
6 -53.0805 1.00000
7 -53.0789 1.00000
8 -53.0731 1.00000
9 -53.0649 1.00000
10 -53.0623 1.00000
11 -53.0607 1.00000
12 -53.0607 1.00000
13 -53.0591 1.00000
14 -53.0535 1.00000
15 -53.0535 1.00000
16 -53.0483 1.00000
17 -29.5385 1.00000
18 -29.5366 1.00000
19 -29.5366 1.00000
20 -29.5320 1.00000
21 -29.5082 1.00000
22 -29.5035 1.00000
23 -29.5035 1.00000
24 -29.4878 1.00000
25 -29.4709 1.00000
26 -29.4529 1.00000
27 -29.4380 1.00000
28 -29.4380 1.00000
29 -29.4267 1.00000
30 -29.4267 1.00000
31 -29.3785 1.00000
32 -29.3714 1.00000
33 -29.3697 1.00000
34 -29.3525 1.00000
35 -29.3485 1.00000
36 -29.3449 1.00000
37 -29.3432 1.00000
38 -29.3432 1.00000
39 -29.3429 1.00000
40 -29.3389 1.00000
41 -29.3389 1.00000
42 -29.3338 1.00000
43 -29.3057 1.00000
44 -29.3057 1.00000
45 -29.3022 1.00000
46 -29.3022 1.00000
47 -29.2894 1.00000
48 -29.2661 1.00000
49 -29.2504 1.00000
50 -29.2439 1.00000
51 -29.2439 1.00000
52 -29.2355 1.00000
53 -29.2355 1.00000
54 -29.2345 1.00000
55 -29.2329 1.00000
56 -29.2295 1.00000
57 -29.2202 1.00000
58 -29.2092 1.00000
59 -29.2092 1.00000
60 -29.2074 1.00000
61 -29.1894 1.00000
62 -29.1854 1.00000
63 -29.1854 1.00000
64 -29.1830 1.00000
65 -14.1267 1.00000
66 -13.8385 1.00000
67 -13.7784 1.00000
68 -13.7784 1.00000
69 -13.6560 1.00000
70 -13.6560 1.00000
71 -13.4417 1.00000
72 -13.2950 1.00000
73 -13.2022 1.00000
74 -13.1644 1.00000
75 -13.1540 1.00000
76 -13.0957 1.00000
77 -13.0387 1.00000
78 -13.0387 1.00000
79 -13.0317 1.00000
80 -13.0317 1.00000
81 -13.0080 1.00000
82 -13.0080 1.00000
83 -12.9975 1.00000
84 -12.9395 1.00000
85 -12.9146 1.00000
86 -12.9146 1.00000
87 -12.8862 1.00000
88 -12.8031 1.00000
89 -12.7678 1.00000
90 -12.7603 1.00000
91 -12.7603 1.00000
92 -12.7376 1.00000
93 -12.7103 1.00000
94 -12.7103 1.00000
95 -12.6832 1.00000
96 -12.6270 1.00000
97 -1.3573 1.00000
98 -1.3550 1.00000
99 -1.3550 1.00000
100 -1.3210 1.00000
101 -1.2758 1.00000
102 -1.2729 1.00000
103 -1.2729 1.00000
104 -1.1556 1.00000
105 -0.8046 1.00000
106 -0.8027 1.00000
107 -0.7645 1.00000
108 -0.7062 1.00000
109 -0.6913 1.00000
110 -0.6913 1.00000
111 -0.6807 1.00000
112 -0.6807 1.00000
113 -0.6721 1.00000
114 -0.6420 1.00000
115 -0.6420 1.00000
116 -0.5861 1.00000
117 -0.4607 1.00000
118 -0.3614 1.00000
119 -0.3614 1.00000
120 -0.3034 1.00000
121 -0.2890 1.00000
122 -0.2620 1.00000
123 -0.2620 1.00000
124 -0.2363 1.00000
125 -0.2185 1.00000
126 -0.1340 1.00000
127 -0.1221 1.00000
128 -0.1221 1.00000
129 -0.0461 1.00000
130 -0.0310 1.00000
131 -0.0225 1.00000
132 0.0551 1.00000
133 0.0801 1.00000
134 0.0801 1.00000
135 0.1396 1.00000
136 0.1396 1.00000
137 0.1506 1.00000
138 0.3849 1.00000
139 0.5390 1.00000
140 0.5390 1.00000
141 0.5473 1.00000
142 0.6759 1.00000
143 0.8496 1.00000
144 0.8496 1.00000
145 0.8998 1.00000
146 0.9294 1.00000
147 0.9294 1.00000
148 0.9577 1.00000
149 1.1454 1.00000
150 1.1454 1.00000
151 1.1812 1.00000
152 1.3487 1.00000
153 1.3677 1.00000
154 1.3688 1.00000
155 1.3688 1.00000
156 1.4955 1.00000
157 1.4955 1.00000
158 1.5038 1.00000
159 1.6027 1.00000
160 1.7670 1.00000
161 1.8591 1.00000
162 1.9312 1.00000
163 1.9312 1.00000
164 1.9761 1.00000
165 1.9975 1.00000
166 2.0956 1.00000
167 2.0956 1.00000
168 2.1255 1.00000
169 2.1481 1.00000
170 2.1492 1.00000
171 2.1492 1.00000
172 2.1880 1.00000
173 2.1880 1.00000
174 2.2351 1.00000
175 2.3962 1.00000
176 2.4646 1.00000
177 2.6068 1.00000
178 2.6168 1.00000
179 2.6168 1.00000
180 2.6252 1.00000
181 2.6252 1.00000
182 2.7057 1.00000
183 2.7708 1.00000
184 2.7708 1.00000
185 2.7890 1.00000
186 2.7890 1.00000
187 2.8383 1.00000
188 2.8786 1.00000
189 2.9900 1.00000
190 2.9961 1.00000
191 3.1821 1.00000
192 3.1928 1.00000
193 6.0342 0.00000
194 6.0689 0.00000
195 6.1547 0.00000
196 6.2051 0.00000
197 6.3786 0.00000
198 6.3781 0.00000
199 6.3803 0.00000
200 6.3764 0.00000
201 6.4226 0.00000
202 6.4706 0.00000
203 6.5295 0.00000
204 6.5264 0.00000
205 6.5581 0.00000
206 6.5539 0.00000
207 6.6262 0.00000
208 6.6596 0.00000
209 6.7278 0.00000
210 6.6616 0.00000
211 6.8177 0.00000
212 6.8048 0.00000
213 6.8252 0.00000
214 6.8229 0.00000
215 6.8064 0.00000
216 6.7960 0.00000
217 6.8994 0.00000
218 6.8937 0.00000
219 6.8892 0.00000
220 6.8786 0.00000
221 6.9706 0.00000
222 6.9538 0.00000
223 6.9387 0.00000
224 6.9902 0.00000
225 7.0098 0.00000
226 7.0953 0.00000
227 7.1462 0.00000
228 7.2472 0.00000
229 7.2530 0.00000
230 7.2491 0.00000
231 7.3855 0.00000
232 7.3827 0.00000
233 7.5458 0.00000
234 7.5447 0.00000
235 7.6497 0.00000
236 7.6455 0.00000
237 7.8333 0.00000
238 7.8917 0.00000
239 7.9063 0.00000
240 7.9954 0.00000
241 8.5674 0.00000
242 8.6271 0.00000
243 8.8563 0.00000
244 8.8585 0.00000
245 8.8844 0.00000
246 8.9046 0.00000
247 8.9891 0.00000
248 9.2136 0.00000
249 9.2856 0.00000
250 9.3936 0.00000
251 9.4317 0.00000
252 9.5260 0.00000
253 9.5828 0.00000
254 9.6466 0.00000
255 9.9043 0.00000
256 10.1783 0.00000
k-point 11 : 0.4167 0.2500 0.2500
band No. band energies occupation
1 -53.0940 1.00000
2 -53.0910 1.00000
3 -53.0855 1.00000
4 -53.0824 1.00000
5 -53.0811 1.00000
6 -53.0803 1.00000
7 -53.0784 1.00000
8 -53.0756 1.00000
9 -53.0635 1.00000
10 -53.0624 1.00000
11 -53.0620 1.00000
12 -53.0619 1.00000
13 -53.0566 1.00000
14 -53.0547 1.00000
15 -53.0512 1.00000
16 -53.0494 1.00000
17 -29.5383 1.00000
18 -29.5381 1.00000
19 -29.5357 1.00000
20 -29.5344 1.00000
21 -29.5050 1.00000
22 -29.5038 1.00000
23 -29.4830 1.00000
24 -29.4703 1.00000
25 -29.4648 1.00000
26 -29.4525 1.00000
27 -29.4513 1.00000
28 -29.4365 1.00000
29 -29.4221 1.00000
30 -29.4030 1.00000
31 -29.4005 1.00000
32 -29.3756 1.00000
33 -29.3657 1.00000
34 -29.3648 1.00000
35 -29.3556 1.00000
36 -29.3541 1.00000
37 -29.3442 1.00000
38 -29.3441 1.00000
39 -29.3379 1.00000
40 -29.3368 1.00000
41 -29.3356 1.00000
42 -29.3310 1.00000
43 -29.3197 1.00000
44 -29.3152 1.00000
45 -29.3006 1.00000
46 -29.2942 1.00000
47 -29.2919 1.00000
48 -29.2785 1.00000
49 -29.2493 1.00000
50 -29.2469 1.00000
51 -29.2426 1.00000
52 -29.2387 1.00000
53 -29.2343 1.00000
54 -29.2342 1.00000
55 -29.2316 1.00000
56 -29.2258 1.00000
57 -29.2242 1.00000
58 -29.2172 1.00000
59 -29.2070 1.00000
60 -29.2067 1.00000
61 -29.1851 1.00000
62 -29.1839 1.00000
63 -29.1813 1.00000
64 -29.1807 1.00000
65 -14.0150 1.00000
66 -13.8884 1.00000
67 -13.7523 1.00000
68 -13.6849 1.00000
69 -13.6336 1.00000
70 -13.5036 1.00000
71 -13.4580 1.00000
72 -13.3522 1.00000
73 -13.3182 1.00000
74 -13.2056 1.00000
75 -13.1357 1.00000
76 -13.1034 1.00000
77 -13.0768 1.00000
78 -13.0551 1.00000
79 -13.0272 1.00000
80 -13.0272 1.00000
81 -13.0207 1.00000
82 -13.0201 1.00000
83 -12.9687 1.00000
84 -12.9156 1.00000
85 -12.9099 1.00000
86 -12.8902 1.00000
87 -12.8828 1.00000
88 -12.8280 1.00000
89 -12.8179 1.00000
90 -12.8081 1.00000
91 -12.7692 1.00000
92 -12.7451 1.00000
93 -12.7290 1.00000
94 -12.7195 1.00000
95 -12.6881 1.00000
96 -12.6547 1.00000
97 -1.3438 1.00000
98 -1.3422 1.00000
99 -1.3312 1.00000
100 -1.2933 1.00000
101 -1.2928 1.00000
102 -1.2356 1.00000
103 -1.2239 1.00000
104 -1.1182 1.00000
105 -1.0713 1.00000
106 -1.0410 1.00000
107 -1.0043 1.00000
108 -0.9552 1.00000
109 -0.7248 1.00000
110 -0.7216 1.00000
111 -0.7060 1.00000
112 -0.7012 1.00000
113 -0.6925 1.00000
114 -0.6767 1.00000
115 -0.6087 1.00000
116 -0.5965 1.00000
117 -0.3699 1.00000
118 -0.3482 1.00000
119 -0.2882 1.00000
120 -0.2639 1.00000
121 -0.2071 1.00000
122 -0.1676 1.00000
123 -0.1554 1.00000
124 -0.1060 1.00000
125 -0.1007 1.00000
126 -0.0980 1.00000
127 -0.0866 1.00000
128 -0.0765 1.00000
129 -0.0551 1.00000
130 0.0566 1.00000
131 0.0775 1.00000
132 0.0964 1.00000
133 0.1418 1.00000
134 0.2463 1.00000
135 0.3322 1.00000
136 0.4888 1.00000
137 0.4908 1.00000
138 0.5625 1.00000
139 0.5871 1.00000
140 0.6391 1.00000
141 0.6944 1.00000
142 0.6957 1.00000
143 0.7280 1.00000
144 0.7481 1.00000
145 0.7795 1.00000
146 0.7811 1.00000
147 0.8110 1.00000
148 0.9075 1.00000
149 0.9965 1.00000
150 1.0799 1.00000
151 1.2276 1.00000
152 1.3160 1.00000
153 1.3331 1.00000
154 1.3590 1.00000
155 1.3732 1.00000
156 1.4138 1.00000
157 1.4945 1.00000
158 1.5620 1.00000
159 1.5699 1.00000
160 1.5750 1.00000
161 1.6584 1.00000
162 1.6812 1.00000
163 1.7438 1.00000
164 1.7833 1.00000
165 1.8727 1.00000
166 1.9274 1.00000
167 2.1355 1.00000
168 2.1754 1.00000
169 2.1846 1.00000
170 2.1952 1.00000
171 2.2511 1.00000
172 2.2930 1.00000
173 2.3102 1.00000
174 2.3492 1.00000
175 2.4579 1.00000
176 2.4701 1.00000
177 2.6174 1.00000
178 2.6245 1.00000
179 2.6449 1.00000
180 2.6453 1.00000
181 2.6713 1.00000
182 2.6731 1.00000
183 2.7127 1.00000
184 2.8188 1.00000
185 2.8390 1.00000
186 2.8652 1.00000
187 2.9189 1.00000
188 2.9730 1.00000
189 2.9773 1.00000
190 3.0033 1.00000
191 3.1190 1.00000
192 3.1263 1.00000
193 6.1814 0.00000
194 6.2299 0.00000
195 6.2729 0.00000
196 6.2952 0.00000
197 6.3129 0.00000
198 6.3411 0.00000
199 6.3663 0.00000
200 6.3367 0.00000
201 6.3937 0.00000
202 6.3780 0.00000
203 6.4826 0.00000
204 6.4801 0.00000
205 6.4891 0.00000
206 6.5007 0.00000
207 6.5351 0.00000
208 6.5488 0.00000
209 6.5501 0.00000
210 6.7316 0.00000
211 6.7168 0.00000
212 6.7628 0.00000
213 6.7797 0.00000
214 6.8042 0.00000
215 6.7007 0.00000
216 6.7749 0.00000
217 6.8855 0.00000
218 6.8723 0.00000
219 6.8993 0.00000
220 6.9011 0.00000
221 6.8465 0.00000
222 6.9204 0.00000
223 6.9391 0.00000
224 6.9437 0.00000
225 6.9586 0.00000
226 6.9329 0.00000
227 6.8803 0.00000
228 7.0884 0.00000
229 7.2533 0.00000
230 7.3507 0.00000
231 7.3953 0.00000
232 7.4158 0.00000
233 7.5082 0.00000
234 7.5153 0.00000
235 7.5618 0.00000
236 7.6165 0.00000
237 7.6877 0.00000
238 7.7029 0.00000
239 7.7333 0.00000
240 7.8477 0.00000
241 8.6828 0.00000
242 8.7498 0.00000
243 8.7714 0.00000
244 8.8296 0.00000
245 9.0710 0.00000
246 9.1414 0.00000
247 9.2185 0.00000
248 9.2377 0.00000
249 9.3235 0.00000
250 9.3863 0.00000
251 9.5835 0.00000
252 9.6077 0.00000
253 9.7314 0.00000
254 9.8071 0.00000
255 10.0244 0.00000
256 10.2043 0.00000
k-point 12 : 0.4167 0.4167 0.2500
band No. band energies occupation
1 -53.0918 1.00000
2 -53.0888 1.00000
3 -53.0888 1.00000
4 -53.0858 1.00000
5 -53.0798 1.00000
6 -53.0785 1.00000
7 -53.0785 1.00000
8 -53.0766 1.00000
9 -53.0635 1.00000
10 -53.0628 1.00000
11 -53.0628 1.00000
12 -53.0627 1.00000
13 -53.0543 1.00000
14 -53.0524 1.00000
15 -53.0524 1.00000
16 -53.0506 1.00000
17 -29.5379 1.00000
18 -29.5374 1.00000
19 -29.5374 1.00000
20 -29.5364 1.00000
21 -29.4928 1.00000
22 -29.4860 1.00000
23 -29.4860 1.00000
24 -29.4724 1.00000
25 -29.4569 1.00000
26 -29.4378 1.00000
27 -29.4378 1.00000
28 -29.4326 1.00000
29 -29.4186 1.00000
30 -29.4141 1.00000
31 -29.4141 1.00000
32 -29.3907 1.00000
33 -29.3614 1.00000
34 -29.3607 1.00000
35 -29.3538 1.00000
36 -29.3538 1.00000
37 -29.3520 1.00000
38 -29.3520 1.00000
39 -29.3501 1.00000
40 -29.3472 1.00000
41 -29.3259 1.00000
42 -29.3185 1.00000
43 -29.3128 1.00000
44 -29.3128 1.00000
45 -29.3040 1.00000
46 -29.3040 1.00000
47 -29.3032 1.00000
48 -29.2902 1.00000
49 -29.2490 1.00000
50 -29.2465 1.00000
51 -29.2465 1.00000
52 -29.2435 1.00000
53 -29.2324 1.00000
54 -29.2311 1.00000
55 -29.2311 1.00000
56 -29.2272 1.00000
57 -29.2195 1.00000
58 -29.2139 1.00000
59 -29.2139 1.00000
60 -29.2111 1.00000
61 -29.1808 1.00000
62 -29.1797 1.00000
63 -29.1797 1.00000
64 -29.1788 1.00000
65 -13.8938 1.00000
66 -13.7548 1.00000
67 -13.7548 1.00000
68 -13.6395 1.00000
69 -13.5977 1.00000
70 -13.5442 1.00000
71 -13.5442 1.00000
72 -13.3957 1.00000
73 -13.2913 1.00000
74 -13.1776 1.00000
75 -13.1776 1.00000
76 -13.1257 1.00000
77 -13.0664 1.00000
78 -13.0580 1.00000
79 -13.0104 1.00000
80 -13.0104 1.00000
81 -12.9932 1.00000
82 -12.9771 1.00000
83 -12.9771 1.00000
84 -12.9582 1.00000
85 -12.9451 1.00000
86 -12.9451 1.00000
87 -12.9040 1.00000
88 -12.8631 1.00000
89 -12.8590 1.00000
90 -12.8001 1.00000
91 -12.8001 1.00000
92 -12.7647 1.00000
93 -12.7407 1.00000
94 -12.7053 1.00000
95 -12.7053 1.00000
96 -12.6737 1.00000
97 -1.3285 1.00000
98 -1.3008 1.00000
99 -1.2832 1.00000
100 -1.2832 1.00000
101 -1.2627 1.00000
102 -1.2627 1.00000
103 -1.2075 1.00000
104 -1.1163 1.00000
105 -1.1018 1.00000
106 -1.0896 1.00000
107 -1.0153 1.00000
108 -1.0153 1.00000
109 -0.9892 1.00000
110 -0.9499 1.00000
111 -0.9499 1.00000
112 -0.9002 1.00000
113 -0.6751 1.00000
114 -0.6370 1.00000
115 -0.6370 1.00000
116 -0.6138 1.00000
117 -0.2288 1.00000
118 -0.2288 1.00000
119 -0.2199 1.00000
120 -0.1928 1.00000
121 -0.1665 1.00000
122 -0.0798 1.00000
123 -0.0798 1.00000
124 -0.0563 1.00000
125 -0.0527 1.00000
126 -0.0288 1.00000
127 -0.0288 1.00000
128 0.0329 1.00000
129 0.0345 1.00000
130 0.2749 1.00000
131 0.2749 1.00000
132 0.3112 1.00000
133 0.4154 1.00000
134 0.4154 1.00000
135 0.4654 1.00000
136 0.4945 1.00000
137 0.5667 1.00000
138 0.5914 1.00000
139 0.6355 1.00000
140 0.6355 1.00000
141 0.7111 1.00000
142 0.7111 1.00000
143 0.7195 1.00000
144 0.7209 1.00000
145 0.7461 1.00000
146 0.8429 1.00000
147 0.8429 1.00000
148 0.9204 1.00000
149 0.9442 1.00000
150 1.0228 1.00000
151 1.0228 1.00000
152 1.1170 1.00000
153 1.2618 1.00000
154 1.3258 1.00000
155 1.3403 1.00000
156 1.3403 1.00000
157 1.4100 1.00000
158 1.4433 1.00000
159 1.4433 1.00000
160 1.5556 1.00000
161 1.6164 1.00000
162 1.6203 1.00000
163 1.6203 1.00000
164 1.7057 1.00000
165 1.7841 1.00000
166 1.9157 1.00000
167 1.9157 1.00000
168 2.1070 1.00000
169 2.2154 1.00000
170 2.2487 1.00000
171 2.2989 1.00000
172 2.2989 1.00000
173 2.3444 1.00000
174 2.3444 1.00000
175 2.4499 1.00000
176 2.5021 1.00000
177 2.5638 1.00000
178 2.6338 1.00000
179 2.6653 1.00000
180 2.6653 1.00000
181 2.6999 1.00000
182 2.7070 1.00000
183 2.7070 1.00000
184 2.7867 1.00000
185 2.9386 1.00000
186 3.0035 1.00000
187 3.0035 1.00000
188 3.0356 1.00000
189 3.0356 1.00000
190 3.0706 1.00000
191 3.0949 1.00000
192 3.1074 1.00000
193 6.2214 0.00000
194 6.2475 0.00000
195 6.2446 0.00000
196 6.2597 0.00000
197 6.2716 0.00000
198 6.2850 0.00000
199 6.2793 0.00000
200 6.3041 0.00000
201 6.4100 0.00000
202 6.4556 0.00000
203 6.4540 0.00000
204 6.4618 0.00000
205 6.4803 0.00000
206 6.4774 0.00000
207 6.4777 0.00000
208 6.5372 0.00000
209 6.6229 0.00000
210 6.6990 0.00000
211 6.7151 0.00000
212 6.7277 0.00000
213 6.7256 0.00000
214 6.7654 0.00000
215 6.7592 0.00000
216 6.6903 0.00000
217 6.8301 0.00000
218 6.8072 0.00000
219 6.7977 0.00000
220 6.7925 0.00000
221 6.8001 0.00000
222 6.8907 0.00000
223 6.7777 0.00000
224 6.7672 0.00000
225 6.9879 0.00000
226 7.0784 0.00000
227 7.1447 0.00000
228 7.1391 0.00000
229 7.1896 0.00000
230 7.2727 0.00000
231 7.2683 0.00000
232 7.3752 0.00000
233 7.3726 0.00000
234 7.3759 0.00000
235 7.3868 0.00000
236 7.4830 0.00000
237 7.5334 0.00000
238 7.5534 0.00000
239 7.5489 0.00000
240 7.6990 0.00000
241 8.8490 0.00000
242 8.8493 0.00000
243 8.9499 0.00000
244 8.9593 0.00000
245 8.9670 0.00000
246 8.9811 0.00000
247 9.0932 0.00000
248 9.1266 0.00000
249 9.3701 0.00000
250 9.4819 0.00000
251 9.5561 0.00000
252 9.6073 0.00000
253 9.8644 0.00000
254 10.0121 0.00000
255 10.0544 0.00000
256 10.2490 0.00000
k-point 13 : 0.0833 0.0833 0.4167
band No. band energies occupation
1 -53.0949 1.00000
2 -53.0898 1.00000
3 -53.0851 1.00000
4 -53.0851 1.00000
5 -53.0842 1.00000
6 -53.0842 1.00000
7 -53.0713 1.00000
8 -53.0707 1.00000
9 -53.0662 1.00000
10 -53.0655 1.00000
11 -53.0571 1.00000
12 -53.0571 1.00000
13 -53.0562 1.00000
14 -53.0562 1.00000
15 -53.0559 1.00000
16 -53.0507 1.00000
17 -29.5257 1.00000
18 -29.5257 1.00000
19 -29.5212 1.00000
20 -29.5212 1.00000
21 -29.5190 1.00000
22 -29.5165 1.00000
23 -29.5152 1.00000
24 -29.5052 1.00000
25 -29.5029 1.00000
26 -29.4817 1.00000
27 -29.4465 1.00000
28 -29.4465 1.00000
29 -29.4450 1.00000
30 -29.4450 1.00000
31 -29.3735 1.00000
32 -29.3733 1.00000
33 -29.3637 1.00000
34 -29.3635 1.00000
35 -29.3401 1.00000
36 -29.3365 1.00000
37 -29.3339 1.00000
38 -29.3312 1.00000
39 -29.3305 1.00000
40 -29.3305 1.00000
41 -29.3298 1.00000
42 -29.3298 1.00000
43 -29.2933 1.00000
44 -29.2933 1.00000
45 -29.2932 1.00000
46 -29.2932 1.00000
47 -29.2537 1.00000
48 -29.2471 1.00000
49 -29.2445 1.00000
50 -29.2402 1.00000
51 -29.2402 1.00000
52 -29.2394 1.00000
53 -29.2394 1.00000
54 -29.2389 1.00000
55 -29.2357 1.00000
56 -29.2169 1.00000
57 -29.2151 1.00000
58 -29.2133 1.00000
59 -29.2066 1.00000
60 -29.2046 1.00000
61 -29.2033 1.00000
62 -29.2033 1.00000
63 -29.2000 1.00000
64 -29.2000 1.00000
65 -14.1804 1.00000
66 -14.0764 1.00000
67 -13.7737 1.00000
68 -13.7737 1.00000
69 -13.7594 1.00000
70 -13.7594 1.00000
71 -13.4118 1.00000
72 -13.3233 1.00000
73 -13.2134 1.00000
74 -13.1905 1.00000
75 -13.0649 1.00000
76 -13.0649 1.00000
77 -13.0622 1.00000
78 -13.0622 1.00000
79 -13.0363 1.00000
80 -13.0209 1.00000
81 -12.9312 1.00000
82 -12.9275 1.00000
83 -12.9167 1.00000
84 -12.8772 1.00000
85 -12.8694 1.00000
86 -12.8694 1.00000
87 -12.8540 1.00000
88 -12.8540 1.00000
89 -12.7505 1.00000
90 -12.7505 1.00000
91 -12.7471 1.00000
92 -12.7471 1.00000
93 -12.6665 1.00000
94 -12.6614 1.00000
95 -12.6340 1.00000
96 -12.6278 1.00000
97 -1.2027 1.00000
98 -1.2027 1.00000
99 -1.1642 1.00000
100 -1.1642 1.00000
101 -1.1312 1.00000
102 -1.1208 1.00000
103 -1.1053 1.00000
104 -1.0852 1.00000
105 -0.8141 1.00000
106 -0.8016 1.00000
107 -0.8016 1.00000
108 -0.7652 1.00000
109 -0.7596 1.00000
110 -0.7449 1.00000
111 -0.7449 1.00000
112 -0.6625 1.00000
113 -0.5302 1.00000
114 -0.5247 1.00000
115 -0.5107 1.00000
116 -0.4891 1.00000
117 -0.4883 1.00000
118 -0.4659 1.00000
119 -0.4301 1.00000
120 -0.4254 1.00000
121 -0.4254 1.00000
122 -0.4213 1.00000
123 -0.4213 1.00000
124 -0.4164 1.00000
125 -0.3896 1.00000
126 -0.3895 1.00000
127 -0.3713 1.00000
128 -0.3713 1.00000
129 -0.3431 1.00000
130 -0.3431 1.00000
131 -0.2990 1.00000
132 -0.2517 1.00000
133 -0.0526 1.00000
134 -0.0526 1.00000
135 -0.0390 1.00000
136 -0.0390 1.00000
137 0.2801 1.00000
138 0.3041 1.00000
139 0.4768 1.00000
140 0.4991 1.00000
141 1.0225 1.00000
142 1.0225 1.00000
143 1.1043 1.00000
144 1.1043 1.00000
145 1.1568 1.00000
146 1.1568 1.00000
147 1.2273 1.00000
148 1.2307 1.00000
149 1.2450 1.00000
150 1.2450 1.00000
151 1.2887 1.00000
152 1.2929 1.00000
153 1.3086 1.00000
154 1.3086 1.00000
155 1.3660 1.00000
156 1.3660 1.00000
157 1.5583 1.00000
158 1.5583 1.00000
159 1.5647 1.00000
160 1.5846 1.00000
161 1.6371 1.00000
162 1.6371 1.00000
163 1.6502 1.00000
164 1.8133 1.00000
165 1.8556 1.00000
166 1.8826 1.00000
167 2.1175 1.00000
168 2.1428 1.00000
169 2.2284 1.00000
170 2.2476 1.00000
171 2.2548 1.00000
172 2.3800 1.00000
173 2.4117 1.00000
174 2.4117 1.00000
175 2.4139 1.00000
176 2.4139 1.00000
177 2.4430 1.00000
178 2.4430 1.00000
179 2.4443 1.00000
180 2.4443 1.00000
181 2.6705 1.00000
182 2.6705 1.00000
183 2.6717 1.00000
184 2.6717 1.00000
185 2.9670 1.00000
186 3.0160 1.00000
187 3.0250 1.00000
188 3.0280 1.00000
189 3.0477 1.00000
190 3.0875 1.00000
191 3.1162 1.00000
192 3.1208 1.00000
193 5.5742 0.00000
194 5.6279 0.00000
195 6.0142 0.00000
196 6.0753 0.00000
197 6.5109 0.00000
198 6.5098 0.00000
199 6.5166 0.00000
200 6.5159 0.00000
201 6.6799 0.00000
202 6.6762 0.00000
203 6.7219 0.00000
204 6.7179 0.00000
205 6.7217 0.00000
206 6.7151 0.00000
207 6.7442 0.00000
208 6.7494 0.00000
209 6.8124 0.00000
210 6.7957 0.00000
211 6.8743 0.00000
212 6.8601 0.00000
213 6.8613 0.00000
214 6.8642 0.00000
215 6.8760 0.00000
216 6.8735 0.00000
217 6.8849 0.00000
218 6.8871 0.00000
219 6.8811 0.00000
220 6.8832 0.00000
221 7.0545 0.00000
222 7.0674 0.00000
223 7.0887 0.00000
224 7.1064 0.00000
225 7.3410 0.00000
226 7.3285 0.00000
227 7.3689 0.00000
228 7.3662 0.00000
229 7.5088 0.00000
230 7.5054 0.00000
231 7.5316 0.00000
232 7.5238 0.00000
233 7.7090 0.00000
234 7.7121 0.00000
235 7.7138 0.00000
236 7.7090 0.00000
237 8.1191 0.00000
238 8.1270 0.00000
239 8.1376 0.00000
240 8.1413 0.00000
241 8.1991 0.00000
242 8.2536 0.00000
243 8.5661 0.00000
244 8.6509 0.00000
245 8.7040 0.00000
246 8.7245 0.00000
247 8.7418 0.00000
248 8.7670 0.00000
249 8.8066 0.00000
250 8.8566 0.00000
251 9.5405 0.00000
252 9.6162 0.00000
253 9.7102 0.00000
254 9.7994 0.00000
255 10.1194 0.00000
256 10.6112 0.00000
k-point 14 : 0.2500 0.0833 0.4167
band No. band energies occupation
1 -53.0938 1.00000
2 -53.0889 1.00000
3 -53.0870 1.00000
4 -53.0845 1.00000
5 -53.0839 1.00000
6 -53.0829 1.00000
7 -53.0748 1.00000
8 -53.0739 1.00000
9 -53.0635 1.00000
10 -53.0626 1.00000
11 -53.0577 1.00000
12 -53.0574 1.00000
13 -53.0568 1.00000
14 -53.0562 1.00000
15 -53.0548 1.00000
16 -53.0512 1.00000
17 -29.5254 1.00000
18 -29.5253 1.00000
19 -29.5230 1.00000
20 -29.5210 1.00000
21 -29.5194 1.00000
22 -29.5162 1.00000
23 -29.5122 1.00000
24 -29.4914 1.00000
25 -29.4887 1.00000
26 -29.4848 1.00000
27 -29.4504 1.00000
28 -29.4486 1.00000
29 -29.4353 1.00000
30 -29.4309 1.00000
31 -29.3741 1.00000
32 -29.3740 1.00000
33 -29.3579 1.00000
34 -29.3526 1.00000
35 -29.3523 1.00000
36 -29.3507 1.00000
37 -29.3419 1.00000
38 -29.3413 1.00000
39 -29.3363 1.00000
40 -29.3318 1.00000
41 -29.3313 1.00000
42 -29.3297 1.00000
43 -29.3022 1.00000
44 -29.3022 1.00000
45 -29.2893 1.00000
46 -29.2893 1.00000
47 -29.2610 1.00000
48 -29.2559 1.00000
49 -29.2442 1.00000
50 -29.2413 1.00000
51 -29.2390 1.00000
52 -29.2389 1.00000
53 -29.2389 1.00000
54 -29.2378 1.00000
55 -29.2278 1.00000
56 -29.2238 1.00000
57 -29.2217 1.00000
58 -29.2072 1.00000
59 -29.2069 1.00000
60 -29.2019 1.00000
61 -29.2007 1.00000
62 -29.1991 1.00000
63 -29.1978 1.00000
64 -29.1974 1.00000
65 -14.1202 1.00000
66 -14.0195 1.00000
67 -13.8247 1.00000
68 -13.7815 1.00000
69 -13.6895 1.00000
70 -13.6748 1.00000
71 -13.3684 1.00000
72 -13.2816 1.00000
73 -13.1869 1.00000
74 -13.1659 1.00000
75 -13.1639 1.00000
76 -13.1470 1.00000
77 -13.0806 1.00000
78 -13.0724 1.00000
79 -13.0168 1.00000
80 -13.0143 1.00000
81 -13.0008 1.00000
82 -12.9614 1.00000
83 -12.9159 1.00000
84 -12.9045 1.00000
85 -12.9000 1.00000
86 -12.8564 1.00000
87 -12.8558 1.00000
88 -12.8407 1.00000
89 -12.7500 1.00000
90 -12.7429 1.00000
91 -12.7391 1.00000
92 -12.7328 1.00000
93 -12.7052 1.00000
94 -12.6983 1.00000
95 -12.6531 1.00000
96 -12.6423 1.00000
97 -1.3382 1.00000
98 -1.3044 1.00000
99 -1.2781 1.00000
100 -1.2734 1.00000
101 -1.1966 1.00000
102 -1.1621 1.00000
103 -1.1290 1.00000
104 -1.0993 1.00000
105 -0.7986 1.00000
106 -0.7821 1.00000
107 -0.7692 1.00000
108 -0.7608 1.00000
109 -0.7543 1.00000
110 -0.7438 1.00000
111 -0.6693 1.00000
112 -0.6582 1.00000
113 -0.5072 1.00000
114 -0.5012 1.00000
115 -0.4887 1.00000
116 -0.4874 1.00000
117 -0.4829 1.00000
118 -0.4382 1.00000
119 -0.4342 1.00000
120 -0.4119 1.00000
121 -0.4053 1.00000
122 -0.3989 1.00000
123 -0.3604 1.00000
124 -0.3515 1.00000
125 -0.3240 1.00000
126 -0.3220 1.00000
127 -0.3202 1.00000
128 -0.3008 1.00000
129 -0.2500 1.00000
130 -0.2134 1.00000
131 -0.0881 1.00000
132 -0.0642 1.00000
133 -0.0205 1.00000
134 -0.0119 1.00000
135 0.0529 1.00000
136 0.0789 1.00000
137 0.1689 1.00000
138 0.2070 1.00000
139 0.5717 1.00000
140 0.6015 1.00000
141 0.7364 1.00000
142 0.7975 1.00000
143 0.9270 1.00000
144 1.0088 1.00000
145 1.0155 1.00000
146 1.0576 1.00000
147 1.0820 1.00000
148 1.1095 1.00000
149 1.1498 1.00000
150 1.2636 1.00000
151 1.2847 1.00000
152 1.3214 1.00000
153 1.3264 1.00000
154 1.3285 1.00000
155 1.4737 1.00000
156 1.4802 1.00000
157 1.4914 1.00000
158 1.5483 1.00000
159 1.6077 1.00000
160 1.7042 1.00000
161 1.7559 1.00000
162 1.8639 1.00000
163 1.8889 1.00000
164 1.9189 1.00000
165 1.9611 1.00000
166 1.9819 1.00000
167 2.0778 1.00000
168 2.0830 1.00000
169 2.0986 1.00000
170 2.0994 1.00000
171 2.1370 1.00000
172 2.1957 1.00000
173 2.4303 1.00000
174 2.4418 1.00000
175 2.4443 1.00000
176 2.4912 1.00000
177 2.4961 1.00000
178 2.5217 1.00000
179 2.6460 1.00000
180 2.6564 1.00000
181 2.7226 1.00000
182 2.7230 1.00000
183 2.7315 1.00000
184 2.7383 1.00000
185 2.7635 1.00000
186 2.8464 1.00000
187 2.8981 1.00000
188 2.9192 1.00000
189 2.9250 1.00000
190 2.9505 1.00000
191 3.1212 1.00000
192 3.1214 1.00000
193 5.8252 0.00000
194 5.8456 0.00000
195 6.1405 0.00000
196 6.1676 0.00000
197 6.4017 0.00000
198 6.4239 0.00000
199 6.4571 0.00000
200 6.4684 0.00000
201 6.5241 0.00000
202 6.5365 0.00000
203 6.5686 0.00000
204 6.5706 0.00000
205 6.6592 0.00000
206 6.6570 0.00000
207 6.7012 0.00000
208 6.6785 0.00000
209 6.8221 0.00000
210 6.8233 0.00000
211 6.8342 0.00000
212 6.8136 0.00000
213 6.8669 0.00000
214 6.8639 0.00000
215 6.8820 0.00000
216 6.8801 0.00000
217 6.8816 0.00000
218 6.8891 0.00000
219 6.8930 0.00000
220 6.8615 0.00000
221 6.9126 0.00000
222 6.9185 0.00000
223 7.0124 0.00000
224 7.0253 0.00000
225 7.0792 0.00000
226 7.1161 0.00000
227 7.2810 0.00000
228 7.3176 0.00000
229 7.3935 0.00000
230 7.5042 0.00000
231 7.4235 0.00000
232 7.5318 0.00000
233 7.6425 0.00000
234 7.6682 0.00000
235 7.7093 0.00000
236 7.6963 0.00000
237 7.9906 0.00000
238 8.0001 0.00000
239 8.0356 0.00000
240 8.0513 0.00000
241 8.3312 0.00000
242 8.3773 0.00000
243 8.6202 0.00000
244 8.6699 0.00000
245 8.9052 0.00000
246 8.9252 0.00000
247 8.9992 0.00000
248 9.0265 0.00000
249 9.0991 0.00000
250 9.3224 0.00000
251 9.4916 0.00000
252 9.5995 0.00000
253 9.6573 0.00000
254 9.7641 0.00000
255 10.2105 0.00000
256 10.6307 0.00000
k-point 15 : 0.4167 0.0833 0.4167
band No. band energies occupation
1 -53.0919 1.00000
2 -53.0895 1.00000
3 -53.0874 1.00000
4 -53.0857 1.00000
5 -53.0815 1.00000
6 -53.0806 1.00000
7 -53.0784 1.00000
8 -53.0775 1.00000
9 -53.0610 1.00000
10 -53.0601 1.00000
11 -53.0590 1.00000
12 -53.0581 1.00000
13 -53.0571 1.00000
14 -53.0566 1.00000
15 -53.0533 1.00000
16 -53.0521 1.00000
17 -29.5250 1.00000
18 -29.5245 1.00000
19 -29.5221 1.00000
20 -29.5208 1.00000
21 -29.5206 1.00000
22 -29.5186 1.00000
23 -29.5012 1.00000
24 -29.4914 1.00000
25 -29.4741 1.00000
26 -29.4716 1.00000
27 -29.4593 1.00000
28 -29.4572 1.00000
29 -29.4134 1.00000
30 -29.4069 1.00000
31 -29.3854 1.00000
32 -29.3779 1.00000
33 -29.3690 1.00000
34 -29.3689 1.00000
35 -29.3573 1.00000
36 -29.3569 1.00000
37 -29.3363 1.00000
38 -29.3360 1.00000
39 -29.3350 1.00000
40 -29.3334 1.00000
41 -29.3307 1.00000
42 -29.3301 1.00000
43 -29.3180 1.00000
44 -29.3178 1.00000
45 -29.2818 1.00000
46 -29.2807 1.00000
47 -29.2715 1.00000
48 -29.2686 1.00000
49 -29.2434 1.00000
50 -29.2424 1.00000
51 -29.2388 1.00000
52 -29.2387 1.00000
53 -29.2358 1.00000
54 -29.2342 1.00000
55 -29.2305 1.00000
56 -29.2286 1.00000
57 -29.2190 1.00000
58 -29.2122 1.00000
59 -29.2008 1.00000
60 -29.1987 1.00000
61 -29.1984 1.00000
62 -29.1978 1.00000
63 -29.1957 1.00000
64 -29.1953 1.00000
65 -14.0195 1.00000
66 -13.9289 1.00000
67 -13.9111 1.00000
68 -13.8405 1.00000
69 -13.5372 1.00000
70 -13.5215 1.00000
71 -13.3482 1.00000
72 -13.3310 1.00000
73 -13.2826 1.00000
74 -13.2051 1.00000
75 -13.1567 1.00000
76 -13.1428 1.00000
77 -13.1243 1.00000
78 -13.1172 1.00000
79 -13.0890 1.00000
80 -13.0804 1.00000
81 -12.9523 1.00000
82 -12.9510 1.00000
83 -12.9199 1.00000
84 -12.9100 1.00000
85 -12.8570 1.00000
86 -12.8161 1.00000
87 -12.8151 1.00000
88 -12.8060 1.00000
89 -12.7950 1.00000
90 -12.7643 1.00000
91 -12.7510 1.00000
92 -12.7482 1.00000
93 -12.7272 1.00000
94 -12.7214 1.00000
95 -12.6983 1.00000
96 -12.6870 1.00000
97 -1.2817 1.00000
98 -1.2561 1.00000
99 -1.2474 1.00000
100 -1.2396 1.00000
101 -1.1902 1.00000
102 -1.1697 1.00000
103 -1.1318 1.00000
104 -1.0894 1.00000
105 -1.0654 1.00000
106 -1.0479 1.00000
107 -0.9807 1.00000
108 -0.9595 1.00000
109 -0.7914 1.00000
110 -0.7876 1.00000
111 -0.7309 1.00000
112 -0.7282 1.00000
113 -0.4931 1.00000
114 -0.4749 1.00000
115 -0.4746 1.00000
116 -0.4701 1.00000
117 -0.4566 1.00000
118 -0.4491 1.00000
119 -0.3980 1.00000
120 -0.3725 1.00000
121 -0.3555 1.00000
122 -0.3461 1.00000
123 -0.3304 1.00000
124 -0.2993 1.00000
125 -0.2537 1.00000
126 -0.2199 1.00000
127 -0.2082 1.00000
128 -0.1963 1.00000
129 -0.1901 1.00000
130 -0.1889 1.00000
131 -0.1649 1.00000
132 -0.1164 1.00000
133 0.1661 1.00000
134 0.2134 1.00000
135 0.3980 1.00000
136 0.4502 1.00000
137 0.5201 1.00000
138 0.5317 1.00000
139 0.6626 1.00000
140 0.6633 1.00000
141 0.6865 1.00000
142 0.7096 1.00000
143 0.8159 1.00000
144 0.8330 1.00000
145 0.8940 1.00000
146 0.9268 1.00000
147 0.9856 1.00000
148 1.0816 1.00000
149 1.1889 1.00000
150 1.1930 1.00000
151 1.2066 1.00000
152 1.2695 1.00000
153 1.2789 1.00000
154 1.3775 1.00000
155 1.4256 1.00000
156 1.4357 1.00000
157 1.4411 1.00000
158 1.5195 1.00000
159 1.5345 1.00000
160 1.5876 1.00000
161 1.6551 1.00000
162 1.7165 1.00000
163 1.7728 1.00000
164 1.7945 1.00000
165 1.8429 1.00000
166 1.8786 1.00000
167 1.9768 1.00000
168 2.0385 1.00000
169 2.2760 1.00000
170 2.2804 1.00000
171 2.3354 1.00000
172 2.3693 1.00000
173 2.4734 1.00000
174 2.5050 1.00000
175 2.5677 1.00000
176 2.5782 1.00000
177 2.5975 1.00000
178 2.6351 1.00000
179 2.6411 1.00000
180 2.6553 1.00000
181 2.7174 1.00000
182 2.7280 1.00000
183 2.7469 1.00000
184 2.7647 1.00000
185 2.7682 1.00000
186 2.7746 1.00000
187 2.7856 1.00000
188 2.8166 1.00000
189 2.9015 1.00000
190 2.9129 1.00000
191 3.0548 1.00000
192 3.0614 1.00000
193 6.0701 0.00000
194 6.1069 0.00000
195 6.2472 0.00000
196 6.2859 0.00000
197 6.3782 0.00000
198 6.4036 0.00000
199 6.3751 0.00000
200 6.4361 0.00000
201 6.4240 0.00000
202 6.4181 0.00000
203 6.4934 0.00000
204 6.4978 0.00000
205 6.5752 0.00000
206 6.5811 0.00000
207 6.5588 0.00000
208 6.5645 0.00000
209 6.6301 0.00000
210 6.6703 0.00000
211 6.7335 0.00000
212 6.7672 0.00000
213 6.8348 0.00000
214 6.8462 0.00000
215 6.8536 0.00000
216 6.8650 0.00000
217 6.8389 0.00000
218 6.8392 0.00000
219 6.8438 0.00000
220 6.8438 0.00000
221 6.9041 0.00000
222 6.8603 0.00000
223 6.9077 0.00000
224 6.8721 0.00000
225 7.0485 0.00000
226 7.0701 0.00000
227 7.0878 0.00000
228 7.0905 0.00000
229 7.4936 0.00000
230 7.5099 0.00000
231 7.6056 0.00000
232 7.6301 0.00000
233 7.6108 0.00000
234 7.6155 0.00000
235 7.7068 0.00000
236 7.7354 0.00000
237 7.7942 0.00000
238 7.8071 0.00000
239 7.8728 0.00000
240 7.8893 0.00000
241 8.4179 0.00000
242 8.4651 0.00000
243 8.5107 0.00000
244 8.5536 0.00000
245 9.1439 0.00000
246 9.1743 0.00000
247 9.2174 0.00000
248 9.2457 0.00000
249 9.2958 0.00000
250 9.3297 0.00000
251 9.3641 0.00000
252 9.3938 0.00000
253 9.4874 0.00000
254 9.6758 0.00000
255 9.9384 0.00000
256 10.1829 0.00000
k-point 16 : 0.2500 0.2500 0.4167
band No. band energies occupation
1 -53.0928 1.00000
2 -53.0880 1.00000
3 -53.0859 1.00000
4 -53.0859 1.00000
5 -53.0833 1.00000
6 -53.0833 1.00000
7 -53.0775 1.00000
8 -53.0756 1.00000
9 -53.0625 1.00000
10 -53.0605 1.00000
11 -53.0580 1.00000
12 -53.0580 1.00000
13 -53.0565 1.00000
14 -53.0554 1.00000
15 -53.0554 1.00000
16 -53.0517 1.00000
17 -29.5252 1.00000
18 -29.5252 1.00000
19 -29.5252 1.00000
20 -29.5171 1.00000
21 -29.5167 1.00000
22 -29.5125 1.00000
23 -29.5125 1.00000
24 -29.4875 1.00000
25 -29.4818 1.00000
26 -29.4759 1.00000
27 -29.4395 1.00000
28 -29.4395 1.00000
29 -29.4346 1.00000
30 -29.4346 1.00000
31 -29.3729 1.00000
32 -29.3729 1.00000
33 -29.3683 1.00000
34 -29.3597 1.00000
35 -29.3444 1.00000
36 -29.3436 1.00000
37 -29.3428 1.00000
38 -29.3428 1.00000
39 -29.3425 1.00000
40 -29.3411 1.00000
41 -29.3411 1.00000
42 -29.3386 1.00000
43 -29.2981 1.00000
44 -29.2981 1.00000
45 -29.2976 1.00000
46 -29.2976 1.00000
47 -29.2679 1.00000
48 -29.2632 1.00000
49 -29.2448 1.00000
50 -29.2407 1.00000
51 -29.2407 1.00000
52 -29.2391 1.00000
53 -29.2375 1.00000
54 -29.2375 1.00000
55 -29.2289 1.00000
56 -29.2245 1.00000
57 -29.2214 1.00000
58 -29.2042 1.00000
59 -29.2042 1.00000
60 -29.2019 1.00000
61 -29.2015 1.00000
62 -29.1950 1.00000
63 -29.1950 1.00000
64 -29.1950 1.00000
65 -14.0568 1.00000
66 -13.9584 1.00000
67 -13.7431 1.00000
68 -13.7431 1.00000
69 -13.6987 1.00000
70 -13.6987 1.00000
71 -13.3290 1.00000
72 -13.2626 1.00000
73 -13.2418 1.00000
74 -13.2178 1.00000
75 -13.1585 1.00000
76 -13.1334 1.00000
77 -13.0328 1.00000
78 -13.0328 1.00000
79 -13.0253 1.00000
80 -13.0253 1.00000
81 -12.9857 1.00000
82 -12.9857 1.00000
83 -12.9516 1.00000
84 -12.9470 1.00000
85 -12.9470 1.00000
86 -12.9141 1.00000
87 -12.8852 1.00000
88 -12.8380 1.00000
89 -12.7594 1.00000
90 -12.7495 1.00000
91 -12.7417 1.00000
92 -12.7417 1.00000
93 -12.7235 1.00000
94 -12.7235 1.00000
95 -12.6616 1.00000
96 -12.6420 1.00000
97 -1.3371 1.00000
98 -1.3330 1.00000
99 -1.3330 1.00000
100 -1.3238 1.00000
101 -1.3037 1.00000
102 -1.3037 1.00000
103 -1.2373 1.00000
104 -1.1957 1.00000
105 -0.8146 1.00000
106 -0.8123 1.00000
107 -0.6857 1.00000
108 -0.6857 1.00000
109 -0.6848 1.00000
110 -0.6818 1.00000
111 -0.6818 1.00000
112 -0.6748 1.00000
113 -0.5976 1.00000
114 -0.4905 1.00000
115 -0.4894 1.00000
116 -0.4894 1.00000
117 -0.4308 1.00000
118 -0.4008 1.00000
119 -0.3805 1.00000
120 -0.3421 1.00000
121 -0.3328 1.00000
122 -0.3328 1.00000
123 -0.2952 1.00000
124 -0.2952 1.00000
125 -0.2935 1.00000
126 -0.2935 1.00000
127 -0.2092 1.00000
128 -0.1805 1.00000
129 -0.0606 1.00000
130 -0.0492 1.00000
131 0.0180 1.00000
132 0.0468 1.00000
133 0.0468 1.00000
134 0.0539 1.00000
135 0.0765 1.00000
136 0.0765 1.00000
137 0.0956 1.00000
138 0.2106 1.00000
139 0.5779 1.00000
140 0.6405 1.00000
141 0.6420 1.00000
142 0.6420 1.00000
143 0.7498 1.00000
144 0.7498 1.00000
145 0.8935 1.00000
146 0.9228 1.00000
147 1.0631 1.00000
148 1.0631 1.00000
149 1.1369 1.00000
150 1.1369 1.00000
151 1.2774 1.00000
152 1.3379 1.00000
153 1.4882 1.00000
154 1.4882 1.00000
155 1.5025 1.00000
156 1.5025 1.00000
157 1.5183 1.00000
158 1.5567 1.00000
159 1.7758 1.00000
160 1.7954 1.00000
161 1.8792 1.00000
162 1.8792 1.00000
163 1.8937 1.00000
164 1.9338 1.00000
165 1.9795 1.00000
166 1.9795 1.00000
167 1.9878 1.00000
168 2.0272 1.00000
169 2.1364 1.00000
170 2.1364 1.00000
171 2.1429 1.00000
172 2.1429 1.00000
173 2.2003 1.00000
174 2.2956 1.00000
175 2.5149 1.00000
176 2.5406 1.00000
177 2.5925 1.00000
178 2.6184 1.00000
179 2.6347 1.00000
180 2.6347 1.00000
181 2.6516 1.00000
182 2.6516 1.00000
183 2.7962 1.00000
184 2.8121 1.00000
185 2.8121 1.00000
186 2.8138 1.00000
187 2.8138 1.00000
188 2.8490 1.00000
189 2.9171 1.00000
190 2.9556 1.00000
191 3.1148 1.00000
192 3.1241 1.00000
193 6.0400 0.00000
194 6.0512 0.00000
195 6.1787 0.00000
196 6.1956 0.00000
197 6.3769 0.00000
198 6.3754 0.00000
199 6.3795 0.00000
200 6.3775 0.00000
201 6.4904 0.00000
202 6.5298 0.00000
203 6.5258 0.00000
204 6.5021 0.00000
205 6.5461 0.00000
206 6.5425 0.00000
207 6.6491 0.00000
208 6.7091 0.00000
209 6.7424 0.00000
210 6.7522 0.00000
211 6.7846 0.00000
212 6.8247 0.00000
213 6.8217 0.00000
214 6.8200 0.00000
215 6.8038 0.00000
216 6.7867 0.00000
217 6.8800 0.00000
218 6.9233 0.00000
219 6.7947 0.00000
220 6.9520 0.00000
221 6.8702 0.00000
222 6.8556 0.00000
223 6.8818 0.00000
224 6.8676 0.00000
225 7.0695 0.00000
226 7.0163 0.00000
227 7.1765 0.00000
228 7.2132 0.00000
229 7.3015 0.00000
230 7.2961 0.00000
231 7.3474 0.00000
232 7.3452 0.00000
233 7.5804 0.00000
234 7.5675 0.00000
235 7.6139 0.00000
236 7.6119 0.00000
237 7.8588 0.00000
238 7.8768 0.00000
239 7.9269 0.00000
240 7.9594 0.00000
241 8.5229 0.00000
242 8.5521 0.00000
243 8.8330 0.00000
244 8.8372 0.00000
245 8.8546 0.00000
246 8.8657 0.00000
247 9.1170 0.00000
248 9.2146 0.00000
249 9.3296 0.00000
250 9.3855 0.00000
251 9.5144 0.00000
252 9.5584 0.00000
253 9.6650 0.00000
254 9.7971 0.00000
255 10.1309 0.00000
256 10.5140 0.00000
k-point 17 : 0.4167 0.2500 0.4167
band No. band energies occupation
1 -53.0909 1.00000
2 -53.0884 1.00000
3 -53.0865 1.00000
4 -53.0847 1.00000
5 -53.0837 1.00000
6 -53.0811 1.00000
7 -53.0807 1.00000
8 -53.0784 1.00000
9 -53.0607 1.00000
10 -53.0591 1.00000
11 -53.0583 1.00000
12 -53.0576 1.00000
13 -53.0570 1.00000
14 -53.0566 1.00000
15 -53.0539 1.00000
16 -53.0526 1.00000
17 -29.5255 1.00000
18 -29.5252 1.00000
19 -29.5223 1.00000
20 -29.5192 1.00000
21 -29.5147 1.00000
22 -29.5132 1.00000
23 -29.5022 1.00000
24 -29.4934 1.00000
25 -29.4651 1.00000
26 -29.4586 1.00000
27 -29.4494 1.00000
28 -29.4436 1.00000
29 -29.4183 1.00000
30 -29.4110 1.00000
31 -29.3918 1.00000
32 -29.3833 1.00000
33 -29.3681 1.00000
34 -29.3678 1.00000
35 -29.3574 1.00000
36 -29.3564 1.00000
37 -29.3443 1.00000
38 -29.3439 1.00000
39 -29.3412 1.00000
40 -29.3410 1.00000
41 -29.3302 1.00000
42 -29.3291 1.00000
43 -29.3132 1.00000
44 -29.3122 1.00000
45 -29.2899 1.00000
46 -29.2882 1.00000
47 -29.2789 1.00000
48 -29.2756 1.00000
49 -29.2441 1.00000
50 -29.2426 1.00000
51 -29.2386 1.00000
52 -29.2385 1.00000
53 -29.2379 1.00000
54 -29.2343 1.00000
55 -29.2343 1.00000
56 -29.2296 1.00000
57 -29.2141 1.00000
58 -29.2084 1.00000
59 -29.2012 1.00000
60 -29.2004 1.00000
61 -29.1969 1.00000
62 -29.1945 1.00000
63 -29.1924 1.00000
64 -29.1924 1.00000
65 -13.9503 1.00000
66 -13.8598 1.00000
67 -13.8349 1.00000
68 -13.7630 1.00000
69 -13.5971 1.00000
70 -13.5503 1.00000
71 -13.4210 1.00000
72 -13.3716 1.00000
73 -13.2512 1.00000
74 -13.1696 1.00000
75 -13.1335 1.00000
76 -13.1110 1.00000
77 -13.0872 1.00000
78 -13.0682 1.00000
79 -13.0645 1.00000
80 -13.0471 1.00000
81 -12.9956 1.00000
82 -12.9778 1.00000
83 -12.9750 1.00000
84 -12.9409 1.00000
85 -12.9117 1.00000
86 -12.9013 1.00000
87 -12.8432 1.00000
88 -12.8253 1.00000
89 -12.8188 1.00000
90 -12.8009 1.00000
91 -12.7853 1.00000
92 -12.7535 1.00000
93 -12.7242 1.00000
94 -12.7036 1.00000
95 -12.6950 1.00000
96 -12.6721 1.00000
97 -1.3345 1.00000
98 -1.3301 1.00000
99 -1.3265 1.00000
100 -1.3087 1.00000
101 -1.2780 1.00000
102 -1.2572 1.00000
103 -1.1903 1.00000
104 -1.1534 1.00000
105 -1.0661 1.00000
106 -1.0545 1.00000
107 -0.9869 1.00000
108 -0.9698 1.00000
109 -0.7135 1.00000
110 -0.7052 1.00000
111 -0.6993 1.00000
112 -0.6943 1.00000
113 -0.5534 1.00000
114 -0.5151 1.00000
115 -0.4835 1.00000
116 -0.4728 1.00000
117 -0.3737 1.00000
118 -0.3536 1.00000
119 -0.3368 1.00000
120 -0.3249 1.00000
121 -0.2694 1.00000
122 -0.2646 1.00000
123 -0.2501 1.00000
124 -0.2297 1.00000
125 -0.1866 1.00000
126 -0.1832 1.00000
127 -0.1638 1.00000
128 -0.1558 1.00000
129 -0.0048 1.00000
130 0.0182 1.00000
131 0.0245 1.00000
132 0.0592 1.00000
133 0.1027 1.00000
134 0.2279 1.00000
135 0.3313 1.00000
136 0.4481 1.00000
137 0.4827 1.00000
138 0.4853 1.00000
139 0.6653 1.00000
140 0.6659 1.00000
141 0.6960 1.00000
142 0.6962 1.00000
143 0.7242 1.00000
144 0.7367 1.00000
145 0.7554 1.00000
146 0.8336 1.00000
147 0.8612 1.00000
148 0.8647 1.00000
149 1.1651 1.00000
150 1.1778 1.00000
151 1.2140 1.00000
152 1.3045 1.00000
153 1.3266 1.00000
154 1.3524 1.00000
155 1.4013 1.00000
156 1.5208 1.00000
157 1.5595 1.00000
158 1.5972 1.00000
159 1.6158 1.00000
160 1.6695 1.00000
161 1.6807 1.00000
162 1.6883 1.00000
163 1.8219 1.00000
164 1.8379 1.00000
165 1.8624 1.00000
166 1.8788 1.00000
167 1.9994 1.00000
168 2.0224 1.00000
169 2.2182 1.00000
170 2.2563 1.00000
171 2.2923 1.00000
172 2.3122 1.00000
173 2.3277 1.00000
174 2.3647 1.00000
175 2.4111 1.00000
176 2.4598 1.00000
177 2.6281 1.00000
178 2.6393 1.00000
179 2.6456 1.00000
180 2.6561 1.00000
181 2.6647 1.00000
182 2.6702 1.00000
183 2.7005 1.00000
184 2.7205 1.00000
185 2.8815 1.00000
186 2.8892 1.00000
187 2.9072 1.00000
188 2.9534 1.00000
189 2.9588 1.00000
190 2.9775 1.00000
191 3.0678 1.00000
192 3.0884 1.00000
193 6.1915 0.00000
194 6.2097 0.00000
195 6.2752 0.00000
196 6.2822 0.00000
197 6.3159 0.00000
198 6.3230 0.00000
199 6.3738 0.00000
200 6.3672 0.00000
201 6.3859 0.00000
202 6.3620 0.00000
203 6.4918 0.00000
204 6.5094 0.00000
205 6.5130 0.00000
206 6.5030 0.00000
207 6.5715 0.00000
208 6.6049 0.00000
209 6.6059 0.00000
210 6.6714 0.00000
211 6.7211 0.00000
212 6.7394 0.00000
213 6.7679 0.00000
214 6.8033 0.00000
215 6.8060 0.00000
216 6.8158 0.00000
217 6.9043 0.00000
218 6.8328 0.00000
219 6.9040 0.00000
220 6.8240 0.00000
221 6.8507 0.00000
222 6.8088 0.00000
223 6.7482 0.00000
224 6.8746 0.00000
225 6.9172 0.00000
226 6.9130 0.00000
227 7.0345 0.00000
228 7.0664 0.00000
229 7.2780 0.00000
230 7.3119 0.00000
231 7.4400 0.00000
232 7.4436 0.00000
233 7.4838 0.00000
234 7.4783 0.00000
235 7.5996 0.00000
236 7.6494 0.00000
237 7.6536 0.00000
238 7.6792 0.00000
239 7.7589 0.00000
240 7.8006 0.00000
241 8.6312 0.00000
242 8.6560 0.00000
243 8.7307 0.00000
244 8.7465 0.00000
245 9.0304 0.00000
246 9.0499 0.00000
247 9.1918 0.00000
248 9.2225 0.00000
249 9.3882 0.00000
250 9.5544 0.00000
251 9.6160 0.00000
252 9.6815 0.00000
253 9.7767 0.00000
254 9.8211 0.00000
255 9.9493 0.00000
256 10.2559 0.00000
k-point 18 : 0.4167 0.4167 0.4167
band No. band energies occupation
1 -53.0889 1.00000
2 -53.0863 1.00000
3 -53.0863 1.00000
4 -53.0848 1.00000
5 -53.0836 1.00000
6 -53.0828 1.00000
7 -53.0828 1.00000
8 -53.0804 1.00000
9 -53.0597 1.00000
10 -53.0585 1.00000
11 -53.0585 1.00000
12 -53.0577 1.00000
13 -53.0565 1.00000
14 -53.0549 1.00000
15 -53.0549 1.00000
16 -53.0536 1.00000
17 -29.5244 1.00000
18 -29.5231 1.00000
19 -29.5231 1.00000
20 -29.5207 1.00000
21 -29.5089 1.00000
22 -29.5047 1.00000
23 -29.5047 1.00000
24 -29.4977 1.00000
25 -29.4480 1.00000
26 -29.4396 1.00000
27 -29.4301 1.00000
28 -29.4301 1.00000
29 -29.4217 1.00000
30 -29.4217 1.00000
31 -29.4079 1.00000
32 -29.3985 1.00000
33 -29.3646 1.00000
34 -29.3641 1.00000
35 -29.3565 1.00000
36 -29.3565 1.00000
37 -29.3551 1.00000
38 -29.3551 1.00000
39 -29.3530 1.00000
40 -29.3510 1.00000
41 -29.3185 1.00000
42 -29.3168 1.00000
43 -29.3037 1.00000
44 -29.3037 1.00000
45 -29.3017 1.00000
46 -29.3017 1.00000
47 -29.2910 1.00000
48 -29.2881 1.00000
49 -29.2434 1.00000
50 -29.2413 1.00000
51 -29.2413 1.00000
52 -29.2383 1.00000
53 -29.2375 1.00000
54 -29.2357 1.00000
55 -29.2357 1.00000
56 -29.2325 1.00000
57 -29.2084 1.00000
58 -29.2042 1.00000
59 -29.2042 1.00000
60 -29.2016 1.00000
61 -29.1929 1.00000
62 -29.1913 1.00000
63 -29.1913 1.00000
64 -29.1905 1.00000
65 -13.8320 1.00000
66 -13.7451 1.00000
67 -13.7016 1.00000
68 -13.7016 1.00000
69 -13.6283 1.00000
70 -13.6283 1.00000
71 -13.5483 1.00000
72 -13.4791 1.00000
73 -13.1923 1.00000
74 -13.1132 1.00000
75 -13.1012 1.00000
76 -13.1012 1.00000
77 -13.0513 1.00000
78 -13.0500 1.00000
79 -13.0388 1.00000
80 -13.0388 1.00000
81 -13.0258 1.00000
82 -12.9939 1.00000
83 -12.9827 1.00000
84 -12.9827 1.00000
85 -12.9673 1.00000
86 -12.9673 1.00000
87 -12.8989 1.00000
88 -12.8848 1.00000
89 -12.8120 1.00000
90 -12.7711 1.00000
91 -12.7640 1.00000
92 -12.7640 1.00000
93 -12.7306 1.00000
94 -12.7306 1.00000
95 -12.7289 1.00000
96 -12.6973 1.00000
97 -1.3204 1.00000
98 -1.3122 1.00000
99 -1.2780 1.00000
100 -1.2780 1.00000
101 -1.2701 1.00000
102 -1.2701 1.00000
103 -1.1642 1.00000
104 -1.1239 1.00000
105 -1.1183 1.00000
106 -1.1157 1.00000
107 -0.9915 1.00000
108 -0.9915 1.00000
109 -0.9686 1.00000
110 -0.9686 1.00000
111 -0.9507 1.00000
112 -0.9210 1.00000
113 -0.5067 1.00000
114 -0.4842 1.00000
115 -0.4842 1.00000
116 -0.4828 1.00000
117 -0.3244 1.00000
118 -0.2934 1.00000
119 -0.2934 1.00000
120 -0.2810 1.00000
121 -0.1940 1.00000
122 -0.1781 1.00000
123 -0.1781 1.00000
124 -0.1596 1.00000
125 -0.1206 1.00000
126 -0.1206 1.00000
127 -0.1202 1.00000
128 -0.1060 1.00000
129 0.1160 1.00000
130 0.2288 1.00000
131 0.3040 1.00000
132 0.3040 1.00000
133 0.3691 1.00000
134 0.3691 1.00000
135 0.4674 1.00000
136 0.5146 1.00000
137 0.5282 1.00000
138 0.5421 1.00000
139 0.6449 1.00000
140 0.6449 1.00000
141 0.6706 1.00000
142 0.6706 1.00000
143 0.7705 1.00000
144 0.7917 1.00000
145 0.8094 1.00000
146 0.8392 1.00000
147 0.9779 1.00000
148 0.9779 1.00000
149 1.0324 1.00000
150 1.0324 1.00000
151 1.0797 1.00000
152 1.1202 1.00000
153 1.2514 1.00000
154 1.2935 1.00000
155 1.3575 1.00000
156 1.3575 1.00000
157 1.3950 1.00000
158 1.3950 1.00000
159 1.4753 1.00000
160 1.5471 1.00000
161 1.6882 1.00000
162 1.7514 1.00000
163 1.7630 1.00000
164 1.7630 1.00000
165 1.8570 1.00000
166 1.8577 1.00000
167 1.8577 1.00000
168 1.9982 1.00000
169 2.2715 1.00000
170 2.3049 1.00000
171 2.3049 1.00000
172 2.3746 1.00000
173 2.3746 1.00000
174 2.3951 1.00000
175 2.4524 1.00000
176 2.5067 1.00000
177 2.5631 1.00000
178 2.5976 1.00000
179 2.5998 1.00000
180 2.5998 1.00000
181 2.6104 1.00000
182 2.6503 1.00000
183 2.6684 1.00000
184 2.6684 1.00000
185 2.9997 1.00000
186 3.0285 1.00000
187 3.0285 1.00000
188 3.0297 1.00000
189 3.0297 1.00000
190 3.0413 1.00000
191 3.0729 1.00000
192 3.0955 1.00000
193 6.2190 0.00000
194 6.2290 0.00000
195 6.2426 0.00000
196 6.2408 0.00000
197 6.2545 0.00000
198 6.2529 0.00000
199 6.2753 0.00000
200 6.2861 0.00000
201 6.4825 0.00000
202 6.5088 0.00000
203 6.5060 0.00000
204 6.5288 0.00000
205 6.5269 0.00000
206 6.5341 0.00000
207 6.5472 0.00000
208 6.5553 0.00000
209 6.6182 0.00000
210 6.6316 0.00000
211 6.6572 0.00000
212 6.6959 0.00000
213 6.6942 0.00000
214 6.7299 0.00000
215 6.7256 0.00000
216 6.7635 0.00000
217 6.8016 0.00000
218 6.7467 0.00000
219 6.7502 0.00000
220 6.7292 0.00000
221 6.7232 0.00000
222 6.7279 0.00000
223 6.6602 0.00000
224 6.6213 0.00000
225 7.0160 0.00000
226 7.0444 0.00000
227 7.2011 0.00000
228 7.1988 0.00000
229 7.2433 0.00000
230 7.2425 0.00000
231 7.2520 0.00000
232 7.3254 0.00000
233 7.4251 0.00000
234 7.4281 0.00000
235 7.4254 0.00000
236 7.4618 0.00000
237 7.4936 0.00000
238 7.4927 0.00000
239 7.5845 0.00000
240 7.6443 0.00000
241 8.7898 0.00000
242 8.8003 0.00000
243 8.9038 0.00000
244 8.9053 0.00000
245 8.9105 0.00000
246 8.9177 0.00000
247 9.0387 0.00000
248 9.0695 0.00000
249 9.5605 0.00000
250 9.6524 0.00000
251 9.6782 0.00000
252 9.7310 0.00000
253 9.7836 0.00000
254 9.9246 0.00000
255 10.0138 0.00000
256 10.3575 0.00000
--------------------------------------------------------------------------------------------------------
soft charge-density along one line, spin component 1
0 1 2 3 4 5 6 7 8 9
total charge-density along one line
soft charge-density along one line, spin component 2
0 1 2 3 4 5 6 7 8 9
total charge-density along one line
pseudopotential strength for first ion, spin component: 1
-3.302 -22.106 -0.000 0.000 0.000 0.000 -0.000 -0.000
-22.106 9.763 -0.000 0.000 0.000 -0.000 0.000 0.000
-0.000 -0.000 -25.410 -0.000 0.000 9.152 0.000 -0.000
0.000 0.000 -0.000 -25.431 -0.000 0.000 9.166 0.000
0.000 0.000 0.000 -0.000 -25.410 -0.000 0.000 9.152
0.000 -0.000 9.152 0.000 -0.000 5.595 -0.000 0.000
-0.000 0.000 0.000 9.166 0.000 -0.000 5.590 -0.000
-0.000 0.000 -0.000 0.000 9.152 0.000 -0.000 5.595
0.000 0.000 -0.000 -0.000 0.000 0.000 0.000 -0.000
-0.000 -0.000 -0.007 0.000 -0.000 0.003 -0.000 0.000
-0.009 -0.003 0.000 0.000 -0.000 -0.000 -0.000 0.000
-0.000 -0.000 -0.000 -0.000 0.007 0.000 0.000 -0.003
0.000 0.000 0.000 0.007 0.000 -0.000 -0.003 -0.000
0.000 0.000 -0.000 -0.000 0.000 0.000 0.000 -0.000
-0.000 -0.000 -0.008 0.000 -0.000 0.004 -0.000 0.000
-0.011 -0.003 0.000 0.000 -0.000 -0.000 -0.000 0.000
-0.000 -0.000 -0.000 -0.000 0.008 0.000 0.000 -0.004
0.000 0.000 0.000 0.008 0.000 -0.000 -0.004 -0.000
pseudopotential strength for first ion, spin component: 2
-3.302 -22.106 -0.000 0.000 0.000 0.000 -0.000 -0.000
-22.106 9.763 -0.000 0.000 0.000 -0.000 0.000 0.000
-0.000 -0.000 -25.410 -0.000 0.000 9.152 0.000 -0.000
0.000 0.000 -0.000 -25.431 -0.000 0.000 9.166 0.000
0.000 0.000 0.000 -0.000 -25.410 -0.000 0.000 9.152
0.000 -0.000 9.152 0.000 -0.000 5.595 -0.000 0.000
-0.000 0.000 0.000 9.166 0.000 -0.000 5.590 -0.000
-0.000 0.000 -0.000 0.000 9.152 0.000 -0.000 5.595
0.000 0.000 -0.000 -0.000 0.000 0.000 0.000 -0.000
-0.000 -0.000 -0.007 0.000 -0.000 0.003 -0.000 0.000
-0.009 -0.003 0.000 0.000 -0.000 -0.000 -0.000 0.000
-0.000 -0.000 -0.000 -0.000 0.007 0.000 0.000 -0.003
0.000 0.000 0.000 0.007 0.000 -0.000 -0.003 -0.000
0.000 0.000 -0.000 -0.000 0.000 0.000 0.000 -0.000
-0.000 -0.000 -0.008 0.000 -0.000 0.004 -0.000 0.000
-0.011 -0.003 0.000 0.000 -0.000 -0.000 -0.000 0.000
-0.000 -0.000 -0.000 -0.000 0.008 0.000 0.000 -0.004
0.000 0.000 0.000 0.008 0.000 -0.000 -0.004 -0.000
total augmentation occupancy for first ion, spin component: 1
1.990 -0.108 0.000 0.000 0.000 0.000 0.000 0.000 -0.000 0.000 -0.003 -0.000 0.000 -0.000 -0.000 0.003
-0.108 1.505 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -0.086 -0.000 -0.000 0.000 0.000 0.063
0.000 0.000 1.968 0.000 0.000 -0.069 0.000 0.000 -0.000 0.031 -0.000 -0.000 0.000 0.000 -0.029 -0.000
0.000 -0.000 0.000 1.969 0.000 0.000 -0.069 0.000 0.000 0.000 0.000 0.000 -0.031 0.000 -0.000 -0.000
0.000 0.000 0.000 0.000 1.968 0.000 0.000 -0.069 0.000 0.000 0.000 -0.031 -0.000 -0.000 0.000 0.000
0.000 0.000 -0.069 0.000 0.000 0.202 0.000 0.000 0.000 0.297 -0.000 0.000 -0.000 0.000 -0.192 0.000
0.000 -0.000 0.000 -0.069 0.000 0.000 0.191 0.000 -0.000 0.000 0.000 -0.000 -0.223 0.000 0.000 -0.000
0.000 0.000 0.000 0.000 -0.069 0.000 0.000 0.202 -0.000 -0.000 0.000 -0.297 -0.000 0.000 0.000 -0.000
-0.000 0.000 -0.000 -0.000 0.000 0.000 -0.000 -0.000 2.321 -0.000 0.000 0.000 0.000 -1.258 0.000 0.000
0.000 0.000 0.031 0.000 0.000 0.297 0.000 -0.000 -0.000 2.971 0.000 0.000 -0.000 0.000 -1.771 0.000
-0.003 -0.086 -0.000 0.000 0.000 -0.000 -0.000 0.000 0.000 0.000 7.807 -0.000 -0.000 0.000 0.000 -4.939
-0.000 -0.000 -0.000 0.000 -0.031 0.000 -0.000 -0.297 -0.000 0.000 -0.000 2.971 -0.000 0.000 -0.000 0.000
-0.000 -0.000 0.000 -0.031 -0.000 -0.000 -0.223 -0.000 0.000 -0.000 0.000 -0.000 8.635 0.000 -0.000 0.000
-0.000 0.000 0.000 -0.000 -0.000 0.000 0.000 0.000 -1.258 0.000 0.000 0.000 0.000 0.688 -0.000 0.000
-0.000 0.000 -0.029 -0.000 0.000 -0.192 0.000 0.000 0.000 -1.771 0.000 -0.000 -0.000 -0.000 1.075 -0.000
0.003 0.063 -0.000 -0.000 0.000 0.000 -0.000 -0.000 0.000 0.000 -4.939 0.000 0.000 0.000 -0.000 3.186
-0.000 0.000 0.000 0.000 0.029 -0.000 0.000 0.192 0.000 -0.000 0.000 -1.771 0.000 0.000 -0.000 -0.000
0.000 -0.000 -0.000 0.028 0.000 -0.000 0.156 -0.000 0.000 -0.000 0.000 -0.000 -5.556 0.000 0.000 0.000
total augmentation occupancy for first ion, spin component: 2
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -0.000 0.000 0.000 -0.000 0.000 0.000 -0.000
0.000 -0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -0.000 -0.000 0.000 -0.000 -0.000 0.000 0.000
0.000 0.000 -0.000 0.000 0.000 0.000 0.000 0.000 -0.000 -0.000 -0.000 0.000 -0.000 0.000 -0.000 -0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -0.000 0.000 0.000 0.000 -0.000 0.000 -0.000 -0.000
0.000 0.000 0.000 0.000 -0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -0.000 0.000 -0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -0.000 -0.000 -0.000 0.000 -0.000 0.000 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -0.000 -0.000 0.000 0.000 -0.000 0.000 0.000 -0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -0.000 -0.000 0.000 0.000 0.000 -0.000 0.000 -0.000
0.000 0.000 -0.000 -0.000 0.000 0.000 -0.000 -0.000 0.000 -0.000 0.000 0.000 -0.000 -0.000 0.000 -0.000
-0.000 -0.000 -0.000 0.000 0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 0.000 0.000 0.000 0.000
0.000 -0.000 -0.000 0.000 0.000 -0.000 0.000 0.000 0.000 -0.000 0.000 0.000 0.000 -0.000 -0.000 -0.000
0.000 0.000 0.000 0.000 0.000 -0.000 0.000 0.000 0.000 -0.000 0.000 -0.000 -0.000 0.000 0.000 0.000
-0.000 -0.000 -0.000 -0.000 0.000 0.000 -0.000 0.000 -0.000 0.000 0.000 -0.000 0.000 0.000 0.000 0.000
0.000 -0.000 0.000 0.000 -0.000 -0.000 0.000 -0.000 -0.000 0.000 -0.000 0.000 0.000 0.000 0.000 -0.000
0.000 0.000 -0.000 -0.000 0.000 0.000 0.000 0.000 0.000 0.000 -0.000 0.000 0.000 0.000 -0.000 0.000
-0.000 0.000 -0.000 -0.000 -0.000 0.000 -0.000 -0.000 -0.000 0.000 -0.000 0.000 0.000 -0.000 0.000 0.000
0.000 -0.000 0.000 -0.000 0.000 -0.000 0.000 -0.000 0.000 0.000 0.000 0.000 -0.000 0.000 0.000 0.000
0.000 -0.000 0.000 0.000 -0.000 0.000 -0.000 -0.000 -0.000 0.000 -0.000 -0.000 -0.000 0.000 -0.000 0.000
------------------------ aborting loop because EDIFF is reached ----------------------------------------
CHARGE: cpu time 1.8394: real time 1.8396
FORLOC: cpu time 0.0268: real time 0.0268
FORNL : cpu time 20.6469: real time 20.6497
STRESS: cpu time 31.6420: real time 31.6458
FORCOR: cpu time 0.1765: real time 0.1791
FORHAR: cpu time 0.0346: real time 0.0347
MIXING: cpu time 0.0077: real time 0.0077
OFIELD: cpu time 0.0001: real time 0.0001
FORCE on cell =-STRESS in cart. coord. units (eV):
Direction XX YY ZZ XY YZ ZX
--------------------------------------------------------------------------------------
Alpha Z 1442.21779 1442.21779 1442.21779
Ewald -9889.87593 -9889.87593 -6705.12515 -0.00000 0.00000 0.00000
Hartree 3180.37727 3180.37727 5286.80351 -0.00000 -0.00000 -0.00000
E(xc) -1978.51765 -1978.51765 -1977.36904 0.00000 0.00000 -0.00000
Local 289.29405 289.29405 -4975.89316 -0.00000 -0.00000 0.00000
n-local -1273.74570 -1271.97528 -1273.32731 0.20101 0.12126 0.11304
augment 1158.96583 1158.96583 1155.62654 0.00000 0.00000 0.00000
Kinetic 7090.30024 7077.98296 7061.34471 -0.53621 -0.20993 -0.20157
Fock 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000
-------------------------------------------------------------------------------------
Total 13.7424701 13.7424701 14.2779013 0.0000000 0.0000000 0.0000000
in kB 40.0125978 40.0125978 41.5715602 0.0000000 0.0000000 0.0000000
external PRESSURE = 40.5322520 kB Pullay stress = 0.0000000 kB
VOLUME and BASIS-vectors are now :
-----------------------------------------------------------------------------
energy-cutoff : 550.00
volume of cell : 550.27
direct lattice vectors reciprocal lattice vectors
7.565100000 0.000000000 0.000000000 0.132185959 0.000000000 0.000000000
0.000000000 7.565100000 0.000000000 0.000000000 0.132185959 0.000000000
0.000000000 0.000000000 9.615000000 0.000000000 0.000000000 0.104004160
length of vectors
7.565100000 7.565100000 9.615000000 0.132185959 0.132185959 0.104004160
FORCES acting on ions
electron-ion (+dipol) ewald-force non-local-force convergence-correction
-----------------------------------------------------------------------------------------------
0.305E-12 0.271E-11 -.662E-12 -.587E-13 -.171E-13 0.711E-14 0.339E-19 -.176E-18 0.130E-17 0.310E-12 0.238E-12 -.240E-12
0.277E-12 0.240E-12 -.686E-12 -.637E-13 -.110E-12 0.222E-13 -.339E-19 0.217E-18 -.694E-17 0.115E-12 0.241E-13 0.208E-12
-.193E-13 -.180E-12 0.568E-12 -.135E-12 -.675E-13 0.000E+00 -.203E-19 0.203E-18 0.781E-17 -.185E-12 0.109E-12 0.368E-12
-.200E-14 0.421E-12 -.615E-12 -.355E-13 -.211E-13 0.426E-13 -.210E-18 0.949E-19 -.113E-16 -.453E-12 0.175E-12 -.364E-12
0.908E-12 -.188E-10 -.473E-13 -.587E-13 -.464E-13 0.142E-13 -.678E-19 0.386E-18 0.520E-17 -.151E-13 0.214E-12 -.620E-12
0.802E-12 0.180E-12 -.267E-10 -.178E-13 -.213E-13 0.355E-14 -.542E-19 0.271E-19 0.000E+00 -.128E-12 0.711E-13 0.373E-12
0.586E-12 -.180E-12 -.485E-11 -.497E-13 -.497E-13 0.142E-13 0.339E-19 -.298E-18 -.260E-17 0.188E-13 0.895E-13 0.135E-12
0.542E-12 0.547E-11 -.289E-11 -.711E-13 -.541E-13 0.693E-13 0.610E-19 -.881E-19 -.390E-17 -.151E-13 0.195E-12 0.559E-14
0.336E-12 -.240E-11 -.102E-11 -.107E-12 -.640E-13 0.426E-13 -.122E-18 0.197E-18 0.390E-17 0.274E-12 0.114E-12 -.144E-12
0.318E-12 0.505E-11 0.135E-11 -.395E-13 -.115E-13 0.151E-13 0.115E-18 -.881E-19 0.477E-17 0.929E-13 -.154E-13 0.342E-12
-.291E-13 0.421E-12 0.568E-12 -.171E-12 -.142E-13 -.782E-13 0.474E-19 -.271E-18 0.000E+00 -.189E-12 0.539E-13 0.263E-12
0.221E-14 0.108E-11 -.473E-12 -.853E-13 -.388E-13 0.142E-13 0.122E-18 0.000E+00 0.173E-17 -.467E-12 0.114E-14 -.428E-12
0.866E-12 -.781E-11 0.111E-11 -.943E-13 -.356E-13 0.114E-12 -.203E-19 -.285E-18 0.564E-17 0.335E-13 0.513E-13 -.545E-12
0.805E-12 0.144E-11 -.132E-10 0.553E-16 -.924E-13 -.302E-13 0.203E-19 0.407E-19 -.130E-17 -.116E-12 0.173E-13 0.498E-12
0.590E-12 -.505E-11 -.246E-11 -.391E-13 -.924E-13 -.426E-13 -.474E-19 0.230E-18 -.130E-17 0.307E-13 0.521E-13 0.191E-13
0.524E-12 0.649E-11 -.579E-11 -.568E-13 0.154E-15 0.355E-13 0.115E-18 0.108E-18 -.390E-17 -.238E-13 0.480E-13 -.104E-12
0.583E-13 0.361E-12 -.988E+02 0.121E-12 -.191E-13 0.106E+03 -.805E-20 0.339E-19 -.669E+01 -.837E-13 0.748E-13 0.367E-04
0.138E-12 0.210E-11 -.988E+02 0.927E-14 0.318E-13 0.106E+03 -.745E-19 -.106E-19 -.669E+01 0.682E-13 0.130E-12 0.367E-04
0.861E-13 -.102E-11 0.988E+02 0.224E-13 0.160E-13 -.106E+03 -.881E-19 0.974E-20 0.669E+01 0.135E-12 0.178E-13 -.367E-04
0.178E-13 -.301E-12 0.988E+02 0.409E-13 -.533E-14 -.106E+03 -.203E-19 -.949E-19 0.669E+01 0.122E-12 0.137E-13 -.367E-04
0.208E-13 0.240E-12 -.988E+02 0.114E-12 0.107E-13 0.106E+03 0.720E-20 -.203E-19 -.669E+01 -.562E-13 0.605E-13 0.367E-04
0.134E-13 0.902E-12 -.988E+02 0.000E+00 0.995E-13 0.106E+03 0.813E-19 0.127E-19 -.669E+01 -.247E-12 0.476E-13 0.367E-04
-.757E-14 -.902E-12 0.988E+02 0.426E-13 0.358E-13 -.106E+03 0.339E-19 0.508E-20 0.669E+01 -.137E-12 0.138E-12 -.367E-04
-.942E-14 -.150E-11 0.988E+02 0.246E-13 -.643E-13 -.106E+03 0.424E-21 0.108E-18 0.669E+01 0.806E-13 0.518E-13 -.367E-04
0.132E-12 -.379E-11 -.988E+02 0.103E-12 0.412E-14 0.106E+03 0.508E-20 0.183E-18 -.669E+01 -.137E-12 0.749E-13 0.367E-04
0.352E-12 -.373E-11 -.988E+02 0.221E-13 0.101E-12 0.106E+03 0.271E-19 -.424E-21 -.669E+01 -.126E-12 0.130E-12 0.367E-04
0.366E-12 -.962E-12 0.988E+02 0.142E-13 -.462E-13 -.106E+03 -.610E-19 -.381E-20 0.669E+01 -.623E-13 0.259E-13 -.367E-04
0.139E-12 -.240E-12 0.988E+02 0.488E-13 -.231E-13 -.106E+03 0.127E-20 -.881E-19 0.669E+01 -.121E-12 0.308E-13 -.367E-04
0.253E-12 0.120E-12 -.988E+02 0.922E-13 -.338E-13 0.106E+03 0.199E-19 0.271E-19 -.669E+01 0.108E-12 0.415E-13 0.367E-04
0.267E-12 0.842E-12 -.988E+02 0.213E-13 0.782E-13 0.106E+03 0.881E-19 -.102E-19 -.669E+01 0.275E-13 0.478E-13 0.367E-04
0.248E-12 -.174E-11 0.988E+02 -.888E-15 -.573E-13 -.106E+03 0.678E-20 -.123E-19 0.669E+01 0.860E-13 0.110E-12 -.367E-04
0.253E-12 -.115E-10 0.988E+02 0.115E-13 0.132E-13 -.106E+03 -.152E-19 0.136E-19 0.669E+01 0.165E-12 0.732E-13 -.367E-04
0.719E-13 0.781E-12 -.988E+02 0.107E-12 0.143E-13 0.106E+03 0.762E-20 -.339E-19 -.669E+01 -.110E-12 0.376E-13 0.367E-04
0.141E-12 0.602E-13 -.988E+02 -.136E-13 0.799E-13 0.106E+03 0.678E-20 -.339E-20 -.669E+01 0.665E-13 -.511E-13 0.367E-04
0.822E-13 -.541E-12 0.988E+02 0.908E-14 0.622E-13 -.106E+03 -.407E-19 -.424E-20 0.669E+01 0.127E-12 -.149E-12 -.367E-04
-.328E-14 0.361E-12 0.988E+02 0.755E-13 -.471E-13 -.106E+03 -.106E-19 -.136E-19 0.669E+01 0.986E-13 0.107E-13 -.367E-04
0.798E-13 0.421E-12 -.988E+02 0.113E-12 0.266E-13 0.106E+03 0.208E-19 0.285E-18 -.669E+01 -.101E-12 0.481E-13 0.367E-04
0.116E-13 0.962E-12 -.988E+02 0.000E+00 0.853E-13 0.106E+03 0.813E-19 -.216E-19 -.669E+01 -.251E-12 -.637E-13 0.367E-04
0.150E-14 -.601E-12 0.988E+02 0.178E-13 0.762E-13 -.106E+03 -.949E-19 -.678E-20 0.669E+01 -.140E-12 -.149E-12 -.367E-04
0.272E-13 0.162E-11 0.988E+02 0.161E-13 -.704E-14 -.106E+03 -.551E-20 -.278E-18 0.669E+01 0.575E-13 0.129E-13 -.367E-04
0.122E-12 0.481E-11 -.988E+02 0.924E-13 -.319E-13 0.106E+03 0.106E-19 -.678E-19 -.669E+01 -.125E-12 0.483E-13 0.367E-04
0.342E-12 -.162E-11 -.988E+02 0.359E-14 0.621E-13 0.106E+03 0.271E-19 -.847E-20 -.669E+01 -.120E-12 -.105E-12 0.367E-04
0.369E-12 0.577E-11 0.988E+02 0.378E-14 0.888E-13 -.106E+03 -.678E-19 0.424E-21 0.669E+01 -.590E-13 -.101E-12 -.367E-04
0.160E-12 0.246E-11 0.988E+02 0.950E-13 -.533E-14 -.106E+03 -.140E-19 0.203E-19 0.669E+01 -.878E-13 0.257E-13 -.367E-04
0.211E-12 0.220E-16 -.988E+02 0.569E-13 0.266E-13 0.106E+03 -.123E-19 0.949E-19 -.669E+01 0.147E-12 0.375E-13 0.367E-04
0.279E-12 0.361E-11 -.988E+02 0.142E-13 0.497E-13 0.106E+03 0.115E-18 0.551E-20 -.669E+01 0.364E-13 -.101E-12 0.367E-04
0.252E-12 0.601E-12 0.988E+02 -.213E-13 0.709E-13 -.106E+03 0.542E-19 0.127E-19 0.669E+01 0.857E-13 -.106E-12 -.367E-04
0.215E-12 -.782E-12 0.988E+02 0.355E-13 -.142E-13 -.106E+03 0.889E-20 -.142E-18 0.669E+01 0.189E-12 0.202E-13 -.367E-04
-----------------------------------------------------------------------------------------------
0.115E-10 -.141E-10 -.745E-10 0.209E-12 -.576E-13 -.142E-12 0.635E-19 0.290E-18 0.000E+00 -.108E-11 0.192E-11 -.379E-12
POSITION TOTAL-FORCE (eV/Angst)
-----------------------------------------------------------------------------------
1.89128 1.89128 4.80750 0.000000 0.000000 0.000000
1.89128 0.00000 7.21125 -0.000000 -0.000000 0.000000
0.00000 0.00000 0.00000 -0.000000 -0.000000 0.000000
0.00000 1.89128 2.40375 -0.000000 -0.000000 0.000000
5.67382 1.89128 4.80750 -0.000000 -0.000000 0.000000
5.67382 0.00000 7.21125 0.000000 -0.000000 0.000000
3.78255 0.00000 0.00000 0.000000 0.000000 0.000000
3.78255 1.89128 2.40375 0.000000 0.000000 0.000000
1.89128 5.67382 4.80750 0.000000 -0.000000 0.000000
1.89128 3.78255 7.21125 -0.000000 0.000000 0.000000
0.00000 3.78255 0.00000 0.000000 0.000000 0.000000
0.00000 5.67382 2.40375 -0.000000 -0.000000 0.000000
5.67382 5.67382 4.80750 0.000000 -0.000000 0.000000
5.67382 3.78255 7.21125 -0.000000 -0.000000 0.000000
3.78255 3.78255 0.00000 0.000000 0.000000 0.000000
3.78255 5.67382 2.40375 -0.000000 0.000000 0.000000
0.00000 1.89128 4.39550 0.000000 0.000000 0.067480
1.89128 1.89128 6.79925 0.000000 0.000000 0.067480
1.89128 0.00000 5.21950 -0.000000 0.000000 -0.067480
0.00000 0.00000 7.62325 -0.000000 0.000000 -0.067480
1.89128 0.00000 9.20300 0.000000 0.000000 0.067480
0.00000 0.00000 1.99175 -0.000000 -0.000000 0.067480
0.00000 1.89128 0.41200 -0.000000 0.000000 -0.067480
1.89128 1.89128 2.81575 -0.000000 0.000000 -0.067480
3.78255 1.89128 4.39550 0.000000 0.000000 0.067480
5.67382 1.89128 6.79925 0.000000 -0.000000 0.067480
5.67382 0.00000 5.21950 0.000000 0.000000 -0.067480
3.78255 0.00000 7.62325 -0.000000 0.000000 -0.067480
5.67382 0.00000 9.20300 0.000000 -0.000000 0.067480
3.78255 0.00000 1.99175 0.000000 0.000000 0.067480
3.78255 1.89128 0.41200 0.000000 -0.000000 -0.067480
5.67382 1.89128 2.81575 -0.000000 0.000000 -0.067480
0.00000 5.67382 4.39550 0.000000 -0.000000 0.067480
1.89128 5.67382 6.79925 0.000000 0.000000 0.067480
1.89128 3.78255 5.21950 0.000000 0.000000 -0.067480
0.00000 3.78255 7.62325 0.000000 -0.000000 -0.067480
1.89128 3.78255 9.20300 0.000000 -0.000000 0.067480
0.00000 3.78255 1.99175 0.000000 0.000000 0.067480
0.00000 5.67382 0.41200 0.000000 0.000000 -0.067480
1.89128 5.67382 2.81575 -0.000000 -0.000000 -0.067480
3.78255 5.67382 4.39550 0.000000 0.000000 0.067480
5.67382 5.67382 6.79925 -0.000000 -0.000000 0.067480
5.67382 3.78255 5.21950 -0.000000 0.000000 -0.067480
3.78255 3.78255 7.62325 -0.000000 0.000000 -0.067480
5.67382 3.78255 9.20300 0.000000 0.000000 0.067480
3.78255 3.78255 1.99175 -0.000000 -0.000000 0.067480
3.78255 5.67382 0.41200 -0.000000 -0.000000 -0.067480
5.67382 5.67382 2.81575 -0.000000 -0.000000 -0.067480
-----------------------------------------------------------------------------------
total drift: 0.000000 -0.000000 -0.000000
--------------------------------------------------------------------------------------------------------
FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
---------------------------------------------------
free energy TOTEN = -430.7688524739 eV
energy without entropy= -430.7688524739 energy(sigma->0) = -430.76885247
--------------------------------------------------------------------------------------------------------
POTLOK: cpu time 0.7901: real time 0.7903
--------------------------------------------------------------------------------------------------------
--------------------------------------------------------------------------------------------------------
WAVPRE: cpu time 6.2548: real time 6.3601
FEWALD: cpu time 0.0028: real time 0.0028
GENKIN: cpu time 0.0484: real time 0.0484
ORTHCH: cpu time 4.1559: real time 4.1571
LOOP+: cpu time 1418.0273: real time 1419.1360
--------------------------------------- Iteration 2( 1) ---------------------------------------
POTLOK: cpu time 0.1881: real time 0.1973
SETDIJ: cpu time 0.5877: real time 0.5877
EDDAV: cpu time 57.6873: real time 57.6951
CHARGE: cpu time 1.8116: real time 1.8121
MIXING: cpu time 0.0179: real time 0.0179
--------------------------------------------
LOOP: cpu time 60.2927: real time 60.3102
eigenvalue-minimisations : 23680
total energy-change (2. order) :-0.4266275E+01 (-0.1378908E+02)
number of electron 384.0000006 magnetization 0.0000007
augmentation part 77.3969076 magnetization 0.0007154
free energy = -0.435035127100E+03 energy without entropy= -0.435035127100E+03
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 2( 2) ---------------------------------------
POTLOK: cpu time 0.1974: real time 0.2049
SETDIJ: cpu time 0.5889: real time 0.5890
EDDIAG: cpu time 8.8664: real time 8.8672
RMM-DIIS: cpu time 36.4853: real time 36.4890
ORTHCH: cpu time 1.9039: real time 1.9042
CHARGE: cpu time 1.8125: real time 1.8133
MIXING: cpu time 0.0174: real time 0.0174
--------------------------------------------
LOOP: cpu time 49.8719: real time 49.8850
eigenvalue-minimisations : 23028
total energy-change (2. order) : 0.3717409E+01 (-0.1461806E+01)
number of electron 384.0000006 magnetization 0.0000003
augmentation part 75.9720749 magnetization -0.0003667
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.3845
1.3845
free energy = -0.431317718376E+03 energy without entropy= -0.431317718376E+03
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 2( 3) ---------------------------------------
POTLOK: cpu time 0.1794: real time 0.1826
SETDIJ: cpu time 0.5876: real time 0.5876
EDDIAG: cpu time 8.7220: real time 8.7240
RMM-DIIS: cpu time 37.0415: real time 37.0465
ORTHCH: cpu time 1.9659: real time 1.9661
CHARGE: cpu time 1.8150: real time 1.8159
MIXING: cpu time 0.0169: real time 0.0169
--------------------------------------------
LOOP: cpu time 50.3284: real time 50.3397
eigenvalue-minimisations : 23392
total energy-change (2. order) : 0.3849167E+00 (-0.7564561E+00)
number of electron 384.0000006 magnetization 0.0000001
augmentation part 76.1615361 magnetization 0.0000077
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.0453
1.5268 0.5638
free energy = -0.430932801713E+03 energy without entropy= -0.430932801713E+03
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 2( 4) ---------------------------------------
POTLOK: cpu time 0.2015: real time 0.2070
SETDIJ: cpu time 0.5890: real time 0.5891
EDDIAG: cpu time 8.8718: real time 8.8746
RMM-DIIS: cpu time 36.3687: real time 36.3764
ORTHCH: cpu time 1.9335: real time 1.9337
CHARGE: cpu time 1.8218: real time 1.8225
MIXING: cpu time 0.0187: real time 0.0187
--------------------------------------------
LOOP: cpu time 49.8051: real time 49.8219
eigenvalue-minimisations : 22903
total energy-change (2. order) : 0.2407979E+00 (-0.8362031E-01)
number of electron 384.0000006 magnetization 0.0000001
augmentation part 75.9203310 magnetization -0.0001890
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.3718
1.7694 1.7694 0.5766
free energy = -0.430692003812E+03 energy without entropy= -0.430692003812E+03
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 2( 5) ---------------------------------------
POTLOK: cpu time 0.1873: real time 0.1900
SETDIJ: cpu time 0.5882: real time 0.5883
EDDIAG: cpu time 8.8646: real time 8.8677
RMM-DIIS: cpu time 34.7576: real time 34.7804
ORTHCH: cpu time 2.1099: real time 2.1103
CHARGE: cpu time 1.8401: real time 1.8413
MIXING: cpu time 0.0165: real time 0.0165
--------------------------------------------
LOOP: cpu time 48.3643: real time 48.3945
eigenvalue-minimisations : 21825
total energy-change (2. order) :-0.2626668E-01 (-0.5077507E-01)
number of electron 384.0000006 magnetization 0.0000000
augmentation part 76.1146585 magnetization -0.0001792
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.2198
1.6974 1.2740 1.2740 0.6338
free energy = -0.430718270487E+03 energy without entropy= -0.430718270487E+03
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 2( 6) ---------------------------------------
POTLOK: cpu time 0.2098: real time 0.2164
SETDIJ: cpu time 0.5879: real time 0.5880
EDDIAG: cpu time 8.8751: real time 8.8759
RMM-DIIS: cpu time 36.8232: real time 36.8266
ORTHCH: cpu time 1.9744: real time 1.9746
CHARGE: cpu time 1.8239: real time 1.8242
MIXING: cpu time 0.0182: real time 0.0182
--------------------------------------------
LOOP: cpu time 50.3125: real time 50.3239
eigenvalue-minimisations : 23209
total energy-change (2. order) : 0.2062071E-01 (-0.1225543E-01)
number of electron 384.0000006 magnetization 0.0000000
augmentation part 76.2476690 magnetization -0.0000032
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.2279
1.5994 1.5994 0.6215 1.1598 1.1598
free energy = -0.430697649777E+03 energy without entropy= -0.430697649777E+03
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 2( 7) ---------------------------------------
POTLOK: cpu time 0.1846: real time 0.1848
SETDIJ: cpu time 0.5860: real time 0.5861
EDDIAG: cpu time 8.7393: real time 8.7401
RMM-DIIS: cpu time 38.8246: real time 38.8281
ORTHCH: cpu time 1.9274: real time 1.9276
CHARGE: cpu time 1.8086: real time 1.8091
MIXING: cpu time 0.0177: real time 0.0177
--------------------------------------------
LOOP: cpu time 52.0882: real time 52.0934
eigenvalue-minimisations : 24592
total energy-change (2. order) :-0.1318249E-02 (-0.1002174E-02)
number of electron 384.0000006 magnetization 0.0000000
augmentation part 76.2606856 magnetization -0.0000553
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.5872
2.6817 2.6817 0.6222 1.1911 1.1732 1.1732
free energy = -0.430698968026E+03 energy without entropy= -0.430698968026E+03
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 2( 8) ---------------------------------------
POTLOK: cpu time 0.2004: real time 0.2071
SETDIJ: cpu time 0.5870: real time 0.5871
EDDIAG: cpu time 8.7157: real time 8.7167
RMM-DIIS: cpu time 39.4106: real time 39.4161
ORTHCH: cpu time 1.9814: real time 1.9816
CHARGE: cpu time 1.8224: real time 1.8230
MIXING: cpu time 0.0176: real time 0.0176
--------------------------------------------
LOOP: cpu time 52.7350: real time 52.7491
eigenvalue-minimisations : 24847
total energy-change (2. order) :-0.4403582E-02 (-0.1967635E-02)
number of electron 384.0000006 magnetization -0.0000000
augmentation part 76.3571736 magnetization -0.0000319
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.4062
2.2812 1.8646 1.8646 1.1770 1.1770 0.6218 0.8571
free energy = -0.430703371607E+03 energy without entropy= -0.430703371607E+03
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 2( 9) ---------------------------------------
POTLOK: cpu time 0.2018: real time 0.2080
SETDIJ: cpu time 0.5878: real time 0.5879
EDDIAG: cpu time 8.8427: real time 8.8452
WARNING in EDDRMM: call to ZHEGV failed, returncode = 6 3 10
RMM-DIIS: cpu time 42.2697: real time 42.2743
ORTHCH: cpu time 1.9465: real time 1.9467
CHARGE: cpu time 1.8123: real time 1.8129
MIXING: cpu time 0.0179: real time 0.0179
--------------------------------------------
LOOP: cpu time 55.6788: real time 55.6929
eigenvalue-minimisations : 26617
total energy-change (2. order) :-0.1793840E-03 (-0.5690863E-03)
number of electron 384.0000006 magnetization -0.0000000
augmentation part 76.3838692 magnetization 0.0000560
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.3388
2.3785 2.0304 2.0304 1.1933 1.1933 0.8040 0.6203 0.4601
free energy = -0.430703550991E+03 energy without entropy= -0.430703550991E+03
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 2( 10) ---------------------------------------
POTLOK: cpu time 0.1999: real time 0.2081
SETDIJ: cpu time 0.5860: real time 0.5862
EDDIAG: cpu time 8.7876: real time 8.7922
RMM-DIIS: cpu time 44.9294: real time 44.9552
ORTHCH: cpu time 1.9961: real time 1.9967
CHARGE: cpu time 1.8088: real time 1.8099
MIXING: cpu time 0.0182: real time 0.0182
--------------------------------------------
LOOP: cpu time 58.3259: real time 58.3665
eigenvalue-minimisations : 28149
total energy-change (2. order) :-0.1539337E-03 (-0.1847225E-03)
number of electron 384.0000006 magnetization -0.0000000
augmentation part 76.4030377 magnetization 0.0000353
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.1985
2.3814 2.0301 2.0301 1.1938 1.1938 0.8028 0.6201 0.4886 0.0456
free energy = -0.430703704925E+03 energy without entropy= -0.430703704925E+03
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 2( 11) ---------------------------------------
POTLOK: cpu time 0.1858: real time 0.1894
SETDIJ: cpu time 0.5879: real time 0.5884
EDDIAG: cpu time 8.7920: real time 8.7968
WARNING in EDDRMM: call to ZHEGV failed, returncode = 6 3 10
WARNING in EDDRMM: call to ZHEGV failed, returncode = 8 4 16
WARNING in EDDRMM: call to ZHEGV failed, returncode = 6 3 12
WARNING in EDDRMM: call to ZHEGV failed, returncode = 6 3 12
RMM-DIIS: cpu time 42.6047: real time 42.6344
ORTHCH: cpu time 1.9874: real time 1.9882
CHARGE: cpu time 1.8214: real time 1.8229
MIXING: cpu time 0.0203: real time 0.0203
--------------------------------------------
LOOP: cpu time 55.9995: real time 56.0404
eigenvalue-minimisations : 26794
total energy-change (2. order) :-0.2825401E-04 (-0.6075888E-04)
number of electron 384.0000006 magnetization -0.0000000
augmentation part 76.4120010 magnetization 0.0000396
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.2636
2.3497 2.0339 2.0339 0.8998 0.8998 1.1838 1.1838 0.8392 0.6205 0.5919
free energy = -0.430703733179E+03 energy without entropy= -0.430703733179E+03
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 2( 12) ---------------------------------------
POTLOK: cpu time 0.2058: real time 0.2115
SETDIJ: cpu time 0.5858: real time 0.5858
EDDIAG: cpu time 8.8535: real time 8.8543
RMM-DIIS: cpu time 40.1013: real time 40.1049
ORTHCH: cpu time 2.1591: real time 2.1593
CHARGE: cpu time 1.8157: real time 1.8162
MIXING: cpu time 0.0195: real time 0.0195
--------------------------------------------
LOOP: cpu time 53.7408: real time 53.7517
eigenvalue-minimisations : 25305
total energy-change (2. order) :-0.1481471E-04 (-0.2538645E-04)
number of electron 384.0000006 magnetization -0.0000000
augmentation part 76.4169703 magnetization 0.0000322
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.6348
3.7459 3.7459 2.3128 1.3155 1.3155 1.1951 1.1951 0.9535 0.9535 0.6252
0.6252
free energy = -0.430703747994E+03 energy without entropy= -0.430703747994E+03
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 2( 13) ---------------------------------------
POTLOK: cpu time 0.1797: real time 0.1841
SETDIJ: cpu time 0.5873: real time 0.5873
EDDIAG: cpu time 8.9291: real time 8.9304
RMM-DIIS: cpu time 36.6860: real time 36.6896
ORTHCH: cpu time 1.9663: real time 1.9664
CHARGE: cpu time 1.8253: real time 1.8259
MIXING: cpu time 0.0185: real time 0.0185
--------------------------------------------
LOOP: cpu time 50.1923: real time 50.2024
eigenvalue-minimisations : 23278
total energy-change (2. order) :-0.1258481E-03 (-0.7642836E-04)
number of electron 384.0000006 magnetization 0.0000000
augmentation part 76.4222162 magnetization 0.0000330
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.4939
4.0925 2.7080 1.7276 1.7276 1.2790 1.2790 1.1049 1.1049 0.9595 0.6261
0.6588 0.6588
free energy = -0.430703873842E+03 energy without entropy= -0.430703873842E+03
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 2( 14) ---------------------------------------
POTLOK: cpu time 0.1980: real time 0.2068
SETDIJ: cpu time 0.5852: real time 0.5852
EDDIAG: cpu time 8.8601: real time 8.8613
RMM-DIIS: cpu time 35.2413: real time 35.2446
ORTHCH: cpu time 1.9267: real time 1.9269
CHARGE: cpu time 1.8098: real time 1.8106
MIXING: cpu time 0.0197: real time 0.0197
--------------------------------------------
LOOP: cpu time 48.6407: real time 48.6551
eigenvalue-minimisations : 22160
total energy-change (2. order) : 0.7261211E-04 (-0.2267190E-04)
number of electron 384.0000006 magnetization 0.0000000
augmentation part 76.4231176 magnetization 0.0000195
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.4314
2.9167 2.9167 1.7193 1.7193 1.6790 1.6790 1.1592 1.1592 0.8440 0.7885
0.7885 0.6276 0.6110
free energy = -0.430703801230E+03 energy without entropy= -0.430703801230E+03
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 2( 15) ---------------------------------------
POTLOK: cpu time 0.1803: real time 0.1806
SETDIJ: cpu time 0.5885: real time 0.5886
EDDIAG: cpu time 8.7833: real time 8.7841
WARNING in EDDRMM: call to ZHEGV failed, returncode = 8 4 23
RMM-DIIS: cpu time 38.3297: real time 38.3335
ORTHCH: cpu time 1.9820: real time 1.9822
CHARGE: cpu time 1.8288: real time 1.8292
MIXING: cpu time 0.0206: real time 0.0206
--------------------------------------------
LOOP: cpu time 51.7131: real time 51.7187
eigenvalue-minimisations : 24246
total energy-change (2. order) : 0.3238594E-05 (-0.1849539E-04)
number of electron 384.0000006 magnetization 0.0000000
augmentation part 76.4243744 magnetization 0.0000168
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.3799
2.4224 2.4224 1.5763 1.5763 2.1871 2.0054 1.2270 1.2270 0.9611 0.8737
0.8737 0.7112 0.6272 0.6272
free energy = -0.430703797991E+03 energy without entropy= -0.430703797991E+03
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 2( 16) ---------------------------------------
POTLOK: cpu time 0.2060: real time 0.2131
SETDIJ: cpu time 0.5881: real time 0.5881
EDDIAG: cpu time 8.9168: real time 8.9180
RMM-DIIS: cpu time 31.9071: real time 31.9101
ORTHCH: cpu time 1.9925: real time 1.9927
CHARGE: cpu time 1.8242: real time 1.8247
MIXING: cpu time 0.0193: real time 0.0193
--------------------------------------------
LOOP: cpu time 45.4540: real time 45.4660
eigenvalue-minimisations : 19392
total energy-change (2. order) : 0.2541492E-06 (-0.2466844E-05)
number of electron 384.0000006 magnetization 0.0000000
augmentation part 76.4263151 magnetization 0.0000046
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.3887
2.4734 2.4734 2.5889 2.3708 1.3872 1.3872 1.2144 1.2144 0.9824 0.9824
0.9717 0.9033 0.6438 0.6206 0.6159
free energy = -0.430703797737E+03 energy without entropy= -0.430703797737E+03
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 2( 17) ---------------------------------------
POTLOK: cpu time 0.1886: real time 0.1888
SETDIJ: cpu time 0.5898: real time 0.5899
EDDIAG: cpu time 8.8922: real time 8.8944
RMM-DIIS: cpu time 32.4736: real time 32.4765
ORTHCH: cpu time 1.9629: real time 1.9631
CHARGE: cpu time 1.8008: real time 1.8012
MIXING: cpu time 0.0254: real time 0.0254
--------------------------------------------
LOOP: cpu time 45.9334: real time 45.9395
eigenvalue-minimisations : 20281
total energy-change (2. order) : 0.1217231E-05 (-0.1563018E-05)
number of electron 384.0000006 magnetization 0.0000000
augmentation part 76.4274691 magnetization 0.0000054
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.3851
2.9324 2.5588 2.5588 2.3335 1.3800 1.3800 1.2031 1.2031 1.0460 1.0460
0.9223 0.9223 0.7880 0.6244 0.6315 0.6315
free energy = -0.430703796520E+03 energy without entropy= -0.430703796520E+03
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 2( 18) ---------------------------------------
POTLOK: cpu time 0.2053: real time 0.2126
SETDIJ: cpu time 0.5903: real time 0.5903
EDDIAG: cpu time 9.0018: real time 9.0028
RMM-DIIS: cpu time 24.1530: real time 24.1558
ORTHCH: cpu time 2.0314: real time 2.0316
--------------------------------------------
LOOP: cpu time 35.9859: real time 35.9974
eigenvalue-minimisations : 14405
total energy-change (2. order) :-0.6199843E-07 (-0.4023597E-06)
number of electron 384.0000006 magnetization 0.0000000
augmentation part 76.4274691 magnetization 0.0000054
free energy = -0.430703796582E+03 energy without entropy= -0.430703796582E+03
--------------------------------------------------------------------------------------------------------
average (electrostatic) potential at core
the test charge radii are 1.0397 0.7215
(the norm of the test charge is 1.0000)
1 -77.7997 2 -77.7997 3 -77.7997 4 -77.7997 5 -77.7997
6 -77.7997 7 -77.7997 8 -77.7997 9 -77.7997 10 -77.7997
11 -77.7997 12 -77.7997 13 -77.7997 14 -77.7997 15 -77.7997
16 -77.7997 17 -70.7418 18 -70.7418 19 -70.7418 20 -70.7418
21 -70.7418 22 -70.7418 23 -70.7418 24 -70.7418 25 -70.7418
26 -70.7418 27 -70.7418 28 -70.7418 29 -70.7418 30 -70.7418
31 -70.7418 32 -70.7418 33 -70.7418 34 -70.7418 35 -70.7418
36 -70.7418 37 -70.7418 38 -70.7418 39 -70.7418 40 -70.7418
41 -70.7418 42 -70.7418 43 -70.7418 44 -70.7418 45 -70.7418
46 -70.7418 47 -70.7418 48 -70.7418
E-fermi : 3.3093 XC(G=0): -10.4751 alpha+bet :-12.0114
spin component 1
k-point 1 : 0.0833 0.0833 0.0833
band No. band energies occupation
1 -53.6391 1.00000
2 -53.6277 1.00000
3 -53.6277 1.00000
4 -53.6248 1.00000
5 -53.6248 1.00000
6 -53.6196 1.00000
7 -53.6161 1.00000
8 -53.6137 1.00000
9 -53.6136 1.00000
10 -53.6128 1.00000
11 -53.6102 1.00000
12 -53.6050 1.00000
13 -53.6050 1.00000
14 -53.6021 1.00000
15 -53.6021 1.00000
16 -53.5941 1.00000
17 -30.0319 1.00000
18 -30.0180 1.00000
19 -30.0180 1.00000
20 -30.0059 1.00000
21 -30.0059 1.00000
22 -30.0051 1.00000
23 -29.9960 1.00000
24 -29.9941 1.00000
25 -29.9859 1.00000
26 -29.9287 1.00000
27 -29.9287 1.00000
28 -29.9264 1.00000
29 -29.9264 1.00000
30 -29.9012 1.00000
31 -29.8771 1.00000
32 -29.8749 1.00000
33 -29.8727 1.00000
34 -29.8703 1.00000
35 -29.8679 1.00000
36 -29.8521 1.00000
37 -29.8445 1.00000
38 -29.8440 1.00000
39 -29.8440 1.00000
40 -29.8418 1.00000
41 -29.8418 1.00000
42 -29.8382 1.00000
43 -29.8364 1.00000
44 -29.8251 1.00000
45 -29.8251 1.00000
46 -29.8234 1.00000
47 -29.8234 1.00000
48 -29.7798 1.00000
49 -29.7785 1.00000
50 -29.7684 1.00000
51 -29.7684 1.00000
52 -29.7660 1.00000
53 -29.7660 1.00000
54 -29.7605 1.00000
55 -29.7605 1.00000
56 -29.7520 1.00000
57 -29.7458 1.00000
58 -29.7446 1.00000
59 -29.7378 1.00000
60 -29.7377 1.00000
61 -29.7377 1.00000
62 -29.7289 1.00000
63 -29.7289 1.00000
64 -29.7181 1.00000
65 -14.4999 1.00000
66 -14.0616 1.00000
67 -14.0387 1.00000
68 -14.0387 1.00000
69 -13.9904 1.00000
70 -13.9904 1.00000
71 -13.9308 1.00000
72 -13.5367 1.00000
73 -13.4812 1.00000
74 -13.3640 1.00000
75 -13.3561 1.00000
76 -13.3377 1.00000
77 -13.3377 1.00000
78 -13.3279 1.00000
79 -13.3279 1.00000
80 -13.3127 1.00000
81 -13.2915 1.00000
82 -13.2739 1.00000
83 -13.2107 1.00000
84 -13.2081 1.00000
85 -13.2081 1.00000
86 -13.1528 1.00000
87 -13.1528 1.00000
88 -13.1123 1.00000
89 -13.1011 1.00000
90 -13.1011 1.00000
91 -13.0924 1.00000
92 -13.0924 1.00000
93 -13.0268 1.00000
94 -13.0041 1.00000
95 -12.9989 1.00000
96 -12.9738 1.00000
97 -1.4589 1.00000
98 -1.4589 1.00000
99 -1.4453 1.00000
100 -1.3888 1.00000
101 -1.3875 1.00000
102 -1.3117 1.00000
103 -1.3117 1.00000
104 -1.2336 1.00000
105 -1.1713 1.00000
106 -1.1562 1.00000
107 -1.1562 1.00000
108 -1.0001 1.00000
109 -0.9613 1.00000
110 -0.9361 1.00000
111 -0.9361 1.00000
112 -0.9318 1.00000
113 -0.8119 1.00000
114 -0.7972 1.00000
115 -0.7779 1.00000
116 -0.7493 1.00000
117 -0.7369 1.00000
118 -0.7020 1.00000
119 -0.7020 1.00000
120 -0.6876 1.00000
121 -0.6876 1.00000
122 -0.6747 1.00000
123 -0.6747 1.00000
124 -0.6718 1.00000
125 -0.6718 1.00000
126 -0.6300 1.00000
127 -0.6264 1.00000
128 -0.6137 1.00000
129 -0.5663 1.00000
130 -0.5646 1.00000
131 -0.5634 1.00000
132 -0.3850 1.00000
133 -0.0628 1.00000
134 -0.0628 1.00000
135 0.0135 1.00000
136 0.0135 1.00000
137 0.3000 1.00000
138 0.3062 1.00000
139 0.3234 1.00000
140 0.3234 1.00000
141 0.4184 1.00000
142 0.4845 1.00000
143 0.6041 1.00000
144 0.6041 1.00000
145 0.8031 1.00000
146 0.8524 1.00000
147 0.8524 1.00000
148 0.9587 1.00000
149 0.9587 1.00000
150 0.9617 1.00000
151 0.9885 1.00000
152 1.0046 1.00000
153 1.0069 1.00000
154 1.0094 1.00000
155 1.0094 1.00000
156 1.0134 1.00000
157 1.0482 1.00000
158 1.1120 1.00000
159 1.1125 1.00000
160 1.1125 1.00000
161 1.2692 1.00000
162 1.6477 1.00000
163 1.6488 1.00000
164 1.6686 1.00000
165 1.6917 1.00000
166 1.6917 1.00000
167 1.7248 1.00000
168 1.7810 1.00000
169 1.7810 1.00000
170 1.9811 1.00000
171 1.9811 1.00000
172 1.9945 1.00000
173 1.9945 1.00000
174 2.0054 1.00000
175 2.0054 1.00000
176 2.0261 1.00000
177 2.0261 1.00000
178 2.0706 1.00000
179 2.0722 1.00000
180 2.1522 1.00000
181 2.1522 1.00000
182 2.1680 1.00000
183 2.1795 1.00000
184 2.1795 1.00000
185 2.4546 1.00000
186 2.5623 1.00000
187 2.7617 1.00000
188 2.7694 1.00000
189 2.8182 1.00000
190 2.8795 1.00000
191 2.9010 1.00000
192 2.9438 1.00000
193 5.0493 0.00000
194 5.2866 0.00000
195 5.3625 0.00000
196 5.6188 0.00000
197 5.9806 0.00000
198 6.0332 0.00000
199 6.0359 0.00000
200 6.0359 0.00000
201 6.0437 0.00000
202 6.0437 0.00000
203 6.0446 0.00000
204 6.1019 0.00000
205 6.1383 0.00000
206 6.1383 0.00000
207 6.1690 0.00000
208 6.1689 0.00000
209 6.2689 0.00000
210 6.2688 0.00000
211 6.2881 0.00000
212 6.2880 0.00000
213 6.3567 0.00000
214 6.3566 0.00000
215 6.3871 0.00000
216 6.3871 0.00000
217 6.4049 0.00000
218 6.4358 0.00000
219 6.4379 0.00000
220 6.4550 0.00000
221 6.4739 0.00000
222 6.5183 0.00000
223 6.5915 0.00000
224 6.6329 0.00000
225 6.6975 0.00000
226 6.7189 0.00000
227 6.8670 0.00000
228 6.8689 0.00000
229 6.9410 0.00000
230 6.9408 0.00000
231 7.0083 0.00000
232 7.0081 0.00000
233 7.0807 0.00000
234 7.0805 0.00000
235 7.1163 0.00000
236 7.1162 0.00000
237 7.4771 0.00000
238 7.5014 0.00000
239 7.5015 0.00000
240 7.5304 0.00000
241 7.5884 0.00000
242 7.6773 0.00000
243 7.7302 0.00000
244 7.8357 0.00000
245 7.9633 0.00000
246 7.9642 0.00000
247 7.9830 0.00000
248 7.9843 0.00000
249 8.0011 0.00000
250 8.3651 0.00000
251 8.5622 0.00000
252 8.6795 0.00000
253 8.7836 0.00000
254 8.8810 0.00000
255 8.9244 0.00000
256 8.9496 0.00000
k-point 2 : 0.2500 0.0833 0.0833
band No. band energies occupation
1 -53.6381 1.00000
2 -53.6307 1.00000
3 -53.6267 1.00000
4 -53.6238 1.00000
5 -53.6223 1.00000
6 -53.6194 1.00000
7 -53.6192 1.00000
8 -53.6163 1.00000
9 -53.6135 1.00000
10 -53.6104 1.00000
11 -53.6080 1.00000
12 -53.6076 1.00000
13 -53.6056 1.00000
14 -53.6027 1.00000
15 -53.5995 1.00000
16 -53.5947 1.00000
17 -30.0311 1.00000
18 -30.0247 1.00000
19 -30.0172 1.00000
20 -30.0108 1.00000
21 -30.0052 1.00000
22 -30.0001 1.00000
23 -29.9872 1.00000
24 -29.9801 1.00000
25 -29.9720 1.00000
26 -29.9342 1.00000
27 -29.9309 1.00000
28 -29.9225 1.00000
29 -29.9147 1.00000
30 -29.9134 1.00000
31 -29.8828 1.00000
32 -29.8763 1.00000
33 -29.8740 1.00000
34 -29.8655 1.00000
35 -29.8624 1.00000
36 -29.8517 1.00000
37 -29.8511 1.00000
38 -29.8511 1.00000
39 -29.8503 1.00000
40 -29.8463 1.00000
41 -29.8399 1.00000
42 -29.8370 1.00000
43 -29.8346 1.00000
44 -29.8307 1.00000
45 -29.8285 1.00000
46 -29.8251 1.00000
47 -29.8184 1.00000
48 -29.7864 1.00000
49 -29.7777 1.00000
50 -29.7711 1.00000
51 -29.7689 1.00000
52 -29.7658 1.00000
53 -29.7639 1.00000
54 -29.7608 1.00000
55 -29.7604 1.00000
56 -29.7587 1.00000
57 -29.7529 1.00000
58 -29.7465 1.00000
59 -29.7395 1.00000
60 -29.7361 1.00000
61 -29.7317 1.00000
62 -29.7274 1.00000
63 -29.7215 1.00000
64 -29.7162 1.00000
65 -14.4413 1.00000
66 -14.1170 1.00000
67 -14.0226 1.00000
68 -13.9683 1.00000
69 -13.9621 1.00000
70 -13.9125 1.00000
71 -13.8781 1.00000
72 -13.5028 1.00000
73 -13.4832 1.00000
74 -13.4563 1.00000
75 -13.4178 1.00000
76 -13.3817 1.00000
77 -13.3601 1.00000
78 -13.3480 1.00000
79 -13.3205 1.00000
80 -13.2964 1.00000
81 -13.2868 1.00000
82 -13.2861 1.00000
83 -13.2467 1.00000
84 -13.2372 1.00000
85 -13.1981 1.00000
86 -13.1865 1.00000
87 -13.1440 1.00000
88 -13.1050 1.00000
89 -13.0980 1.00000
90 -13.0942 1.00000
91 -13.0825 1.00000
92 -13.0659 1.00000
93 -13.0437 1.00000
94 -13.0360 1.00000
95 -13.0157 1.00000
96 -12.9778 1.00000
97 -1.5834 1.00000
98 -1.5468 1.00000
99 -1.5194 1.00000
100 -1.4737 1.00000
101 -1.4511 1.00000
102 -1.3996 1.00000
103 -1.3243 1.00000
104 -1.2583 1.00000
105 -1.1532 1.00000
106 -1.1455 1.00000
107 -1.0044 1.00000
108 -0.9965 1.00000
109 -0.9933 1.00000
110 -0.9426 1.00000
111 -0.9108 1.00000
112 -0.9014 1.00000
113 -0.8587 1.00000
114 -0.8209 1.00000
115 -0.7751 1.00000
116 -0.7718 1.00000
117 -0.7618 1.00000
118 -0.7292 1.00000
119 -0.7099 1.00000
120 -0.7040 1.00000
121 -0.6782 1.00000
122 -0.6730 1.00000
123 -0.6195 1.00000
124 -0.5446 1.00000
125 -0.5244 1.00000
126 -0.5145 1.00000
127 -0.4847 1.00000
128 -0.3918 1.00000
129 -0.3803 1.00000
130 -0.3740 1.00000
131 -0.3116 1.00000
132 -0.3101 1.00000
133 -0.0844 1.00000
134 -0.0517 1.00000
135 -0.0437 1.00000
136 0.0026 1.00000
137 0.1669 1.00000
138 0.1970 1.00000
139 0.2476 1.00000
140 0.3231 1.00000
141 0.4376 1.00000
142 0.5037 1.00000
143 0.6010 1.00000
144 0.6082 1.00000
145 0.7103 1.00000
146 0.7351 1.00000
147 0.8040 1.00000
148 0.8059 1.00000
149 0.8093 1.00000
150 0.8686 1.00000
151 0.8705 1.00000
152 0.9088 1.00000
153 0.9285 1.00000
154 0.9558 1.00000
155 0.9932 1.00000
156 1.0150 1.00000
157 1.1063 1.00000
158 1.2048 1.00000
159 1.2799 1.00000
160 1.4186 1.00000
161 1.4279 1.00000
162 1.5591 1.00000
163 1.5731 1.00000
164 1.6336 1.00000
165 1.6465 1.00000
166 1.6635 1.00000
167 1.6957 1.00000
168 1.7601 1.00000
169 1.8265 1.00000
170 1.9335 1.00000
171 1.9455 1.00000
172 1.9927 1.00000
173 2.0016 1.00000
174 2.0452 1.00000
175 2.0469 1.00000
176 2.0480 1.00000
177 2.1237 1.00000
178 2.1714 1.00000
179 2.1752 1.00000
180 2.1968 1.00000
181 2.2245 1.00000
182 2.2281 1.00000
183 2.2843 1.00000
184 2.3283 1.00000
185 2.3691 1.00000
186 2.5773 1.00000
187 2.5810 1.00000
188 2.6039 1.00000
189 2.6892 1.00000
190 2.7770 1.00000
191 2.8962 1.00000
192 2.9306 1.00000
193 5.3217 0.00000
194 5.3994 0.00000
195 5.5789 0.00000
196 5.6696 0.00000
197 5.8835 0.00000
198 5.9081 0.00000
199 5.9176 0.00000
200 5.9511 0.00000
201 5.9613 0.00000
202 5.9660 0.00000
203 5.9790 0.00000
204 6.0375 0.00000
205 6.0538 0.00000
206 6.1166 0.00000
207 6.1303 0.00000
208 6.1417 0.00000
209 6.2609 0.00000
210 6.2659 0.00000
211 6.2923 0.00000
212 6.2942 0.00000
213 6.2979 0.00000
214 6.2993 0.00000
215 6.3015 0.00000
216 6.3022 0.00000
217 6.3567 0.00000
218 6.3589 0.00000
219 6.4077 0.00000
220 6.4304 0.00000
221 6.4519 0.00000
222 6.4740 0.00000
223 6.4770 0.00000
224 6.4773 0.00000
225 6.5181 0.00000
226 6.6266 0.00000
227 6.7278 0.00000
228 6.7697 0.00000
229 6.7876 0.00000
230 6.8861 0.00000
231 6.9162 0.00000
232 6.9677 0.00000
233 7.0329 0.00000
234 7.0991 0.00000
235 7.1071 0.00000
236 7.1072 0.00000
237 7.3462 0.00000
238 7.3677 0.00000
239 7.4240 0.00000
240 7.4586 0.00000
241 7.6907 0.00000
242 7.8245 0.00000
243 7.9055 0.00000
244 7.9543 0.00000
245 8.0235 0.00000
246 8.0713 0.00000
247 8.1901 0.00000
248 8.1999 0.00000
249 8.3148 0.00000
250 8.4963 0.00000
251 8.6190 0.00000
252 8.6593 0.00000
253 8.7385 0.00000
254 8.8056 0.00000
255 8.8725 0.00000
256 9.0338 0.00000
k-point 3 : 0.4167 0.0833 0.0833
band No. band energies occupation
1 -53.6362 1.00000
2 -53.6337 1.00000
3 -53.6248 1.00000
4 -53.6222 1.00000
5 -53.6219 1.00000
6 -53.6205 1.00000
7 -53.6195 1.00000
8 -53.6193 1.00000
9 -53.6126 1.00000
10 -53.6106 1.00000
11 -53.6083 1.00000
12 -53.6066 1.00000
13 -53.6054 1.00000
14 -53.6038 1.00000
15 -53.5974 1.00000
16 -53.5958 1.00000
17 -30.0298 1.00000
18 -30.0280 1.00000
19 -30.0158 1.00000
20 -30.0139 1.00000
21 -30.0041 1.00000
22 -30.0026 1.00000
23 -29.9630 1.00000
24 -29.9624 1.00000
25 -29.9556 1.00000
26 -29.9458 1.00000
27 -29.9408 1.00000
28 -29.9365 1.00000
29 -29.9105 1.00000
30 -29.8966 1.00000
31 -29.8954 1.00000
32 -29.8724 1.00000
33 -29.8714 1.00000
34 -29.8699 1.00000
35 -29.8620 1.00000
36 -29.8619 1.00000
37 -29.8540 1.00000
38 -29.8510 1.00000
39 -29.8501 1.00000
40 -29.8485 1.00000
41 -29.8412 1.00000
42 -29.8385 1.00000
43 -29.8385 1.00000
44 -29.8376 1.00000
45 -29.8281 1.00000
46 -29.8255 1.00000
47 -29.8093 1.00000
48 -29.7975 1.00000
49 -29.7760 1.00000
50 -29.7737 1.00000
51 -29.7680 1.00000
52 -29.7645 1.00000
53 -29.7639 1.00000
54 -29.7624 1.00000
55 -29.7613 1.00000
56 -29.7594 1.00000
57 -29.7587 1.00000
58 -29.7539 1.00000
59 -29.7360 1.00000
60 -29.7350 1.00000
61 -29.7277 1.00000
62 -29.7264 1.00000
63 -29.7166 1.00000
64 -29.7150 1.00000
65 -14.3400 1.00000
66 -14.2228 1.00000
67 -13.9859 1.00000
68 -13.9678 1.00000
69 -13.8236 1.00000
70 -13.7708 1.00000
71 -13.7525 1.00000
72 -13.6512 1.00000
73 -13.5932 1.00000
74 -13.5727 1.00000
75 -13.4496 1.00000
76 -13.4058 1.00000
77 -13.3978 1.00000
78 -13.3352 1.00000
79 -13.3297 1.00000
80 -13.3270 1.00000
81 -13.2441 1.00000
82 -13.2372 1.00000
83 -13.2357 1.00000
84 -13.2267 1.00000
85 -13.1957 1.00000
86 -13.1552 1.00000
87 -13.1548 1.00000
88 -13.1263 1.00000
89 -13.0999 1.00000
90 -13.0807 1.00000
91 -13.0778 1.00000
92 -13.0719 1.00000
93 -13.0605 1.00000
94 -13.0584 1.00000
95 -13.0458 1.00000
96 -13.0160 1.00000
97 -1.5183 1.00000
98 -1.5075 1.00000
99 -1.4657 1.00000
100 -1.4401 1.00000
101 -1.4376 1.00000
102 -1.4161 1.00000
103 -1.3818 1.00000
104 -1.3002 1.00000
105 -1.2528 1.00000
106 -1.2514 1.00000
107 -1.2358 1.00000
108 -1.1572 1.00000
109 -1.1475 1.00000
110 -1.1383 1.00000
111 -0.9168 1.00000
112 -0.9035 1.00000
113 -0.8550 1.00000
114 -0.8365 1.00000
115 -0.7581 1.00000
116 -0.7351 1.00000
117 -0.7322 1.00000
118 -0.7124 1.00000
119 -0.7122 1.00000
120 -0.7088 1.00000
121 -0.6891 1.00000
122 -0.6826 1.00000
123 -0.5635 1.00000
124 -0.5287 1.00000
125 -0.4141 1.00000
126 -0.3550 1.00000
127 -0.3532 1.00000
128 -0.2564 1.00000
129 -0.2325 1.00000
130 -0.1209 1.00000
131 -0.0255 1.00000
132 -0.0088 1.00000
133 0.0352 1.00000
134 0.0521 1.00000
135 0.0980 1.00000
136 0.1994 1.00000
137 0.2557 1.00000
138 0.2753 1.00000
139 0.3464 1.00000
140 0.3611 1.00000
141 0.4137 1.00000
142 0.4679 1.00000
143 0.4794 1.00000
144 0.5295 1.00000
145 0.5969 1.00000
146 0.6065 1.00000
147 0.6498 1.00000
148 0.7416 1.00000
149 0.7474 1.00000
150 0.8236 1.00000
151 0.8843 1.00000
152 0.8855 1.00000
153 0.8905 1.00000
154 0.8982 1.00000
155 0.9389 1.00000
156 0.9487 1.00000
157 1.0516 1.00000
158 1.0602 1.00000
159 1.0831 1.00000
160 1.1248 1.00000
161 1.4495 1.00000
162 1.4681 1.00000
163 1.5205 1.00000
164 1.5561 1.00000
165 1.5714 1.00000
166 1.7066 1.00000
167 1.7280 1.00000
168 1.7657 1.00000
169 1.8360 1.00000
170 1.8833 1.00000
171 1.9719 1.00000
172 2.0216 1.00000
173 2.0540 1.00000
174 2.0599 1.00000
175 2.1217 1.00000
176 2.1483 1.00000
177 2.1815 1.00000
178 2.2510 1.00000
179 2.2653 1.00000
180 2.2799 1.00000
181 2.3442 1.00000
182 2.3571 1.00000
183 2.4033 1.00000
184 2.4075 1.00000
185 2.4377 1.00000
186 2.5055 1.00000
187 2.5492 1.00000
188 2.5958 1.00000
189 2.6130 1.00000
190 2.6268 1.00000
191 2.8021 1.00000
192 2.8286 1.00000
193 5.5409 0.00000
194 5.7053 0.00000
195 5.7101 0.00000
196 5.7747 0.00000
197 5.8381 0.00000
198 5.8471 0.00000
199 5.8470 0.00000
200 5.8852 0.00000
201 5.8957 0.00000
202 5.9252 0.00000
203 5.9295 0.00000
204 5.9565 0.00000
205 5.9828 0.00000
206 6.0170 0.00000
207 6.0320 0.00000
208 6.0546 0.00000
209 6.0652 0.00000
210 6.1142 0.00000
211 6.1730 0.00000
212 6.2157 0.00000
213 6.2167 0.00000
214 6.2714 0.00000
215 6.2764 0.00000
216 6.2948 0.00000
217 6.2955 0.00000
218 6.2963 0.00000
219 6.3232 0.00000
220 6.3458 0.00000
221 6.4151 0.00000
222 6.4541 0.00000
223 6.4633 0.00000
224 6.4822 0.00000
225 6.4985 0.00000
226 6.4994 0.00000
227 6.5924 0.00000
228 6.5996 0.00000
229 6.8774 0.00000
230 6.9652 0.00000
231 6.9890 0.00000
232 7.0029 0.00000
233 7.0065 0.00000
234 7.0644 0.00000
235 7.1323 0.00000
236 7.1495 0.00000
237 7.1734 0.00000
238 7.1858 0.00000
239 7.2828 0.00000
240 7.3246 0.00000
241 7.7610 0.00000
242 7.8328 0.00000
243 7.8599 0.00000
244 7.9049 0.00000
245 8.3117 0.00000
246 8.3310 0.00000
247 8.4053 0.00000
248 8.4246 0.00000
249 8.4800 0.00000
250 8.5120 0.00000
251 8.5654 0.00000
252 8.5953 0.00000
253 8.6443 0.00000
254 8.8414 0.00000
255 9.0246 0.00000
256 9.1375 0.00000
k-point 4 : 0.2500 0.2500 0.0833
band No. band energies occupation
1 -53.6371 1.00000
2 -53.6297 1.00000
3 -53.6297 1.00000
4 -53.6223 1.00000
5 -53.6213 1.00000
6 -53.6213 1.00000
7 -53.6190 1.00000
8 -53.6148 1.00000
9 -53.6134 1.00000
10 -53.6125 1.00000
11 -53.6085 1.00000
12 -53.6085 1.00000
13 -53.6050 1.00000
14 -53.6001 1.00000
15 -53.6001 1.00000
16 -53.5952 1.00000
17 -30.0304 1.00000
18 -30.0238 1.00000
19 -30.0238 1.00000
20 -30.0170 1.00000
21 -29.9868 1.00000
22 -29.9868 1.00000
23 -29.9868 1.00000
24 -29.9810 1.00000
25 -29.9588 1.00000
26 -29.9298 1.00000
27 -29.9298 1.00000
28 -29.9198 1.00000
29 -29.9188 1.00000
30 -29.9188 1.00000
31 -29.8975 1.00000
32 -29.8752 1.00000
33 -29.8697 1.00000
34 -29.8631 1.00000
35 -29.8582 1.00000
36 -29.8550 1.00000
37 -29.8523 1.00000
38 -29.8523 1.00000
39 -29.8488 1.00000
40 -29.8488 1.00000
41 -29.8483 1.00000
42 -29.8431 1.00000
43 -29.8332 1.00000
44 -29.8308 1.00000
45 -29.8308 1.00000
46 -29.8229 1.00000
47 -29.8229 1.00000
48 -29.7911 1.00000
49 -29.7789 1.00000
50 -29.7723 1.00000
51 -29.7723 1.00000
52 -29.7647 1.00000
53 -29.7632 1.00000
54 -29.7632 1.00000
55 -29.7606 1.00000
56 -29.7600 1.00000
57 -29.7494 1.00000
58 -29.7462 1.00000
59 -29.7450 1.00000
60 -29.7450 1.00000
61 -29.7251 1.00000
62 -29.7200 1.00000
63 -29.7200 1.00000
64 -29.7145 1.00000
65 -14.3807 1.00000
66 -14.0432 1.00000
67 -14.0432 1.00000
68 -13.9661 1.00000
69 -13.8896 1.00000
70 -13.8896 1.00000
71 -13.8427 1.00000
72 -13.5959 1.00000
73 -13.4676 1.00000
74 -13.4332 1.00000
75 -13.4082 1.00000
76 -13.3669 1.00000
77 -13.3669 1.00000
78 -13.3555 1.00000
79 -13.3203 1.00000
80 -13.3193 1.00000
81 -13.3193 1.00000
82 -13.2836 1.00000
83 -13.2836 1.00000
84 -13.2723 1.00000
85 -13.2262 1.00000
86 -13.2262 1.00000
87 -13.1788 1.00000
88 -13.1176 1.00000
89 -13.0990 1.00000
90 -13.0990 1.00000
91 -13.0848 1.00000
92 -13.0593 1.00000
93 -13.0419 1.00000
94 -13.0339 1.00000
95 -13.0339 1.00000
96 -12.9646 1.00000
97 -1.6068 1.00000
98 -1.5754 1.00000
99 -1.5754 1.00000
100 -1.5369 1.00000
101 -1.5164 1.00000
102 -1.4844 1.00000
103 -1.4844 1.00000
104 -1.3411 1.00000
105 -1.0462 1.00000
106 -1.0359 1.00000
107 -1.0086 1.00000
108 -0.9754 1.00000
109 -0.9381 1.00000
110 -0.9381 1.00000
111 -0.9235 1.00000
112 -0.9235 1.00000
113 -0.9187 1.00000
114 -0.9185 1.00000
115 -0.9185 1.00000
116 -0.8309 1.00000
117 -0.6355 1.00000
118 -0.6031 1.00000
119 -0.6031 1.00000
120 -0.5678 1.00000
121 -0.5159 1.00000
122 -0.5159 1.00000
123 -0.4801 1.00000
124 -0.4707 1.00000
125 -0.4618 1.00000
126 -0.3695 1.00000
127 -0.3695 1.00000
128 -0.3546 1.00000
129 -0.3134 1.00000
130 -0.3085 1.00000
131 -0.2581 1.00000
132 -0.1999 1.00000
133 -0.0662 1.00000
134 -0.0662 1.00000
135 -0.0239 1.00000
136 -0.0239 1.00000
137 0.1051 1.00000
138 0.1831 1.00000
139 0.1831 1.00000
140 0.2512 1.00000
141 0.2896 1.00000
142 0.3183 1.00000
143 0.5727 1.00000
144 0.5727 1.00000
145 0.6702 1.00000
146 0.6702 1.00000
147 0.7097 1.00000
148 0.7149 1.00000
149 0.8095 1.00000
150 0.8696 1.00000
151 0.8696 1.00000
152 0.8736 1.00000
153 0.9452 1.00000
154 0.9452 1.00000
155 1.0673 1.00000
156 1.1662 1.00000
157 1.2089 1.00000
158 1.2089 1.00000
159 1.2292 1.00000
160 1.4039 1.00000
161 1.4096 1.00000
162 1.4313 1.00000
163 1.6215 1.00000
164 1.6215 1.00000
165 1.7181 1.00000
166 1.7181 1.00000
167 1.7992 1.00000
168 1.8010 1.00000
169 1.8012 1.00000
170 1.8645 1.00000
171 1.8645 1.00000
172 1.9197 1.00000
173 1.9197 1.00000
174 1.9287 1.00000
175 1.9368 1.00000
176 2.0286 1.00000
177 2.1852 1.00000
178 2.1852 1.00000
179 2.2395 1.00000
180 2.3038 1.00000
181 2.3038 1.00000
182 2.3609 1.00000
183 2.3609 1.00000
184 2.4265 1.00000
185 2.4538 1.00000
186 2.4538 1.00000
187 2.4832 1.00000
188 2.5520 1.00000
189 2.6762 1.00000
190 2.7777 1.00000
191 2.8426 1.00000
192 2.9150 1.00000
193 5.5378 0.00000
194 5.5912 0.00000
195 5.6172 0.00000
196 5.6845 0.00000
197 5.8425 0.00000
198 5.8470 0.00000
199 5.8470 0.00000
200 5.8723 0.00000
201 5.8722 0.00000
202 5.9623 0.00000
203 5.9885 0.00000
204 5.9884 0.00000
205 6.0008 0.00000
206 6.0275 0.00000
207 6.0275 0.00000
208 6.1617 0.00000
209 6.1655 0.00000
210 6.1717 0.00000
211 6.2576 0.00000
212 6.2575 0.00000
213 6.2687 0.00000
214 6.2774 0.00000
215 6.2771 0.00000
216 6.2936 0.00000
217 6.3382 0.00000
218 6.3523 0.00000
219 6.3522 0.00000
220 6.3841 0.00000
221 6.4173 0.00000
222 6.4173 0.00000
223 6.4492 0.00000
224 6.4935 0.00000
225 6.5050 0.00000
226 6.5504 0.00000
227 6.5558 0.00000
228 6.6791 0.00000
229 6.6789 0.00000
230 6.6800 0.00000
231 6.8268 0.00000
232 6.8267 0.00000
233 6.9339 0.00000
234 6.9337 0.00000
235 7.0615 0.00000
236 7.0615 0.00000
237 7.2115 0.00000
238 7.2816 0.00000
239 7.2823 0.00000
240 7.3893 0.00000
241 7.9500 0.00000
242 7.9822 0.00000
243 8.1176 0.00000
244 8.1403 0.00000
245 8.1411 0.00000
246 8.1705 0.00000
247 8.1712 0.00000
248 8.3978 0.00000
249 8.5305 0.00000
250 8.6010 0.00000
251 8.6898 0.00000
252 8.7109 0.00000
253 8.7595 0.00000
254 8.8402 0.00000
255 8.9319 0.00000
256 9.1065 0.00000
k-point 5 : 0.4167 0.2500 0.0833
band No. band energies occupation
1 -53.6352 1.00000
2 -53.6327 1.00000
3 -53.6278 1.00000
4 -53.6253 1.00000
5 -53.6196 1.00000
6 -53.6195 1.00000
7 -53.6187 1.00000
8 -53.6170 1.00000
9 -53.6128 1.00000
10 -53.6111 1.00000
11 -53.6111 1.00000
12 -53.6095 1.00000
13 -53.6028 1.00000
14 -53.6012 1.00000
15 -53.5979 1.00000
16 -53.5963 1.00000
17 -30.0291 1.00000
18 -30.0272 1.00000
19 -30.0224 1.00000
20 -30.0203 1.00000
21 -29.9863 1.00000
22 -29.9859 1.00000
23 -29.9636 1.00000
24 -29.9632 1.00000
25 -29.9444 1.00000
26 -29.9426 1.00000
27 -29.9381 1.00000
28 -29.9281 1.00000
29 -29.9208 1.00000
30 -29.9105 1.00000
31 -29.8995 1.00000
32 -29.8771 1.00000
33 -29.8703 1.00000
34 -29.8656 1.00000
35 -29.8609 1.00000
36 -29.8598 1.00000
37 -29.8536 1.00000
38 -29.8515 1.00000
39 -29.8494 1.00000
40 -29.8474 1.00000
41 -29.8460 1.00000
42 -29.8440 1.00000
43 -29.8414 1.00000
44 -29.8321 1.00000
45 -29.8314 1.00000
46 -29.8307 1.00000
47 -29.8133 1.00000
48 -29.8015 1.00000
49 -29.7779 1.00000
50 -29.7754 1.00000
51 -29.7722 1.00000
52 -29.7695 1.00000
53 -29.7614 1.00000
54 -29.7606 1.00000
55 -29.7605 1.00000
56 -29.7577 1.00000
57 -29.7554 1.00000
58 -29.7525 1.00000
59 -29.7444 1.00000
60 -29.7437 1.00000
61 -29.7208 1.00000
62 -29.7192 1.00000
63 -29.7152 1.00000
64 -29.7135 1.00000
65 -14.2755 1.00000
66 -14.1532 1.00000
67 -13.9112 1.00000
68 -13.9107 1.00000
69 -13.8892 1.00000
70 -13.7489 1.00000
71 -13.7466 1.00000
72 -13.7354 1.00000
73 -13.5673 1.00000
74 -13.5595 1.00000
75 -13.4119 1.00000
76 -13.3863 1.00000
77 -13.3614 1.00000
78 -13.3602 1.00000
79 -13.3579 1.00000
80 -13.3148 1.00000
81 -13.2981 1.00000
82 -13.2883 1.00000
83 -13.2573 1.00000
84 -13.2211 1.00000
85 -13.2051 1.00000
86 -13.2050 1.00000
87 -13.2032 1.00000
88 -13.1660 1.00000
89 -13.1500 1.00000
90 -13.1173 1.00000
91 -13.0875 1.00000
92 -13.0701 1.00000
93 -13.0605 1.00000
94 -13.0356 1.00000
95 -13.0133 1.00000
96 -12.9843 1.00000
97 -1.5856 1.00000
98 -1.5615 1.00000
99 -1.5457 1.00000
100 -1.5186 1.00000
101 -1.5103 1.00000
102 -1.4621 1.00000
103 -1.4516 1.00000
104 -1.3104 1.00000
105 -1.2916 1.00000
106 -1.2690 1.00000
107 -1.2433 1.00000
108 -1.1713 1.00000
109 -0.9945 1.00000
110 -0.9713 1.00000
111 -0.9521 1.00000
112 -0.9509 1.00000
113 -0.9448 1.00000
114 -0.9361 1.00000
115 -0.8718 1.00000
116 -0.8491 1.00000
117 -0.5816 1.00000
118 -0.5776 1.00000
119 -0.5291 1.00000
120 -0.4839 1.00000
121 -0.4648 1.00000
122 -0.4131 1.00000
123 -0.3986 1.00000
124 -0.3764 1.00000
125 -0.3643 1.00000
126 -0.3211 1.00000
127 -0.3062 1.00000
128 -0.2623 1.00000
129 -0.2226 1.00000
130 -0.0708 1.00000
131 -0.0236 1.00000
132 0.0196 1.00000
133 0.0247 1.00000
134 0.0481 1.00000
135 0.1164 1.00000
136 0.1858 1.00000
137 0.2276 1.00000
138 0.2661 1.00000
139 0.2798 1.00000
140 0.3393 1.00000
141 0.3587 1.00000
142 0.3700 1.00000
143 0.4126 1.00000
144 0.4785 1.00000
145 0.4911 1.00000
146 0.5066 1.00000
147 0.5333 1.00000
148 0.6143 1.00000
149 0.6868 1.00000
150 0.7006 1.00000
151 0.9092 1.00000
152 0.9453 1.00000
153 0.9700 1.00000
154 0.9749 1.00000
155 0.9858 1.00000
156 1.0763 1.00000
157 1.0765 1.00000
158 1.1749 1.00000
159 1.2059 1.00000
160 1.2566 1.00000
161 1.3191 1.00000
162 1.3522 1.00000
163 1.4050 1.00000
164 1.5153 1.00000
165 1.5784 1.00000
166 1.5982 1.00000
167 1.6944 1.00000
168 1.8382 1.00000
169 1.8455 1.00000
170 1.8582 1.00000
171 1.9162 1.00000
172 1.9247 1.00000
173 1.9291 1.00000
174 2.0514 1.00000
175 2.0976 1.00000
176 2.1118 1.00000
177 2.2269 1.00000
178 2.2574 1.00000
179 2.2772 1.00000
180 2.3173 1.00000
181 2.3311 1.00000
182 2.3692 1.00000
183 2.4076 1.00000
184 2.4437 1.00000
185 2.4886 1.00000
186 2.5795 1.00000
187 2.5858 1.00000
188 2.6622 1.00000
189 2.6650 1.00000
190 2.6789 1.00000
191 2.7646 1.00000
192 2.8293 1.00000
193 5.6685 0.00000
194 5.7184 0.00000
195 5.7638 0.00000
196 5.7759 0.00000
197 5.7791 0.00000
198 5.7878 0.00000
199 5.8451 0.00000
200 5.8641 0.00000
201 5.8809 0.00000
202 5.9010 0.00000
203 5.9172 0.00000
204 5.9407 0.00000
205 5.9454 0.00000
206 5.9517 0.00000
207 5.9583 0.00000
208 5.9839 0.00000
209 6.0074 0.00000
210 6.1998 0.00000
211 6.2021 0.00000
212 6.2109 0.00000
213 6.2167 0.00000
214 6.2524 0.00000
215 6.2547 0.00000
216 6.2672 0.00000
217 6.2929 0.00000
218 6.3047 0.00000
219 6.3539 0.00000
220 6.3555 0.00000
221 6.3573 0.00000
222 6.3802 0.00000
223 6.3838 0.00000
224 6.4234 0.00000
225 6.4462 0.00000
226 6.4482 0.00000
227 6.4737 0.00000
228 6.5358 0.00000
229 6.6766 0.00000
230 6.7802 0.00000
231 6.7909 0.00000
232 6.8187 0.00000
233 6.9232 0.00000
234 6.9340 0.00000
235 6.9576 0.00000
236 7.0014 0.00000
237 7.0812 0.00000
238 7.1226 0.00000
239 7.1277 0.00000
240 7.2568 0.00000
241 8.0228 0.00000
242 8.0693 0.00000
243 8.0797 0.00000
244 8.1247 0.00000
245 8.3363 0.00000
246 8.3535 0.00000
247 8.4126 0.00000
248 8.4695 0.00000
249 8.5194 0.00000
250 8.5926 0.00000
251 8.7269 0.00000
252 8.7477 0.00000
253 8.8585 0.00000
254 8.9132 0.00000
255 9.0475 0.00000
256 9.1760 0.00000
k-point 6 : 0.4167 0.4167 0.0833
band No. band energies occupation
1 -53.6333 1.00000
2 -53.6308 1.00000
3 -53.6308 1.00000
4 -53.6282 1.00000
5 -53.6179 1.00000
6 -53.6179 1.00000
7 -53.6178 1.00000
8 -53.6163 1.00000
9 -53.6130 1.00000
10 -53.6126 1.00000
11 -53.6120 1.00000
12 -53.6120 1.00000
13 -53.6006 1.00000
14 -53.5990 1.00000
15 -53.5990 1.00000
16 -53.5974 1.00000
17 -30.0277 1.00000
18 -30.0257 1.00000
19 -30.0257 1.00000
20 -30.0237 1.00000
21 -29.9686 1.00000
22 -29.9641 1.00000
23 -29.9641 1.00000
24 -29.9584 1.00000
25 -29.9446 1.00000
26 -29.9391 1.00000
27 -29.9391 1.00000
28 -29.9292 1.00000
29 -29.9255 1.00000
30 -29.9095 1.00000
31 -29.9095 1.00000
32 -29.8900 1.00000
33 -29.8665 1.00000
34 -29.8599 1.00000
35 -29.8587 1.00000
36 -29.8587 1.00000
37 -29.8554 1.00000
38 -29.8554 1.00000
39 -29.8544 1.00000
40 -29.8509 1.00000
41 -29.8490 1.00000
42 -29.8398 1.00000
43 -29.8398 1.00000
44 -29.8364 1.00000
45 -29.8336 1.00000
46 -29.8222 1.00000
47 -29.8222 1.00000
48 -29.8106 1.00000
49 -29.7781 1.00000
50 -29.7759 1.00000
51 -29.7759 1.00000
52 -29.7737 1.00000
53 -29.7586 1.00000
54 -29.7585 1.00000
55 -29.7585 1.00000
56 -29.7562 1.00000
57 -29.7543 1.00000
58 -29.7513 1.00000
59 -29.7513 1.00000
60 -29.7505 1.00000
61 -29.7162 1.00000
62 -29.7145 1.00000
63 -29.7145 1.00000
64 -29.7127 1.00000
65 -14.1624 1.00000
66 -14.0302 1.00000
67 -14.0302 1.00000
68 -13.8835 1.00000
69 -13.7968 1.00000
70 -13.7476 1.00000
71 -13.7476 1.00000
72 -13.6887 1.00000
73 -13.5935 1.00000
74 -13.5432 1.00000
75 -13.5432 1.00000
76 -13.5092 1.00000
77 -13.3526 1.00000
78 -13.3463 1.00000
79 -13.2965 1.00000
80 -13.2965 1.00000
81 -13.2831 1.00000
82 -13.2831 1.00000
83 -13.2434 1.00000
84 -13.2422 1.00000
85 -13.2293 1.00000
86 -13.2180 1.00000
87 -13.2180 1.00000
88 -13.2011 1.00000
89 -13.1472 1.00000
90 -13.1398 1.00000
91 -13.1398 1.00000
92 -13.1168 1.00000
93 -13.0390 1.00000
94 -13.0158 1.00000
95 -13.0158 1.00000
96 -12.9922 1.00000
97 -1.5663 1.00000
98 -1.4968 1.00000
99 -1.4968 1.00000
100 -1.4959 1.00000
101 -1.4906 1.00000
102 -1.4906 1.00000
103 -1.4612 1.00000
104 -1.3516 1.00000
105 -1.2945 1.00000
106 -1.2876 1.00000
107 -1.2555 1.00000
108 -1.2555 1.00000
109 -1.2549 1.00000
110 -1.1672 1.00000
111 -1.1672 1.00000
112 -1.1208 1.00000
113 -0.9453 1.00000
114 -0.9040 1.00000
115 -0.9040 1.00000
116 -0.8730 1.00000
117 -0.4650 1.00000
118 -0.4650 1.00000
119 -0.4160 1.00000
120 -0.3977 1.00000
121 -0.3865 1.00000
122 -0.3499 1.00000
123 -0.2591 1.00000
124 -0.2517 1.00000
125 -0.2517 1.00000
126 -0.2109 1.00000
127 -0.2109 1.00000
128 -0.0874 1.00000
129 0.0445 1.00000
130 0.0881 1.00000
131 0.1535 1.00000
132 0.1535 1.00000
133 0.1601 1.00000
134 0.1601 1.00000
135 0.1782 1.00000
136 0.2440 1.00000
137 0.3015 1.00000
138 0.3015 1.00000
139 0.3328 1.00000
140 0.3399 1.00000
141 0.3431 1.00000
142 0.3746 1.00000
143 0.4016 1.00000
144 0.4016 1.00000
145 0.4020 1.00000
146 0.4573 1.00000
147 0.4573 1.00000
148 0.5138 1.00000
149 0.6434 1.00000
150 0.7466 1.00000
151 0.7466 1.00000
152 0.7676 1.00000
153 0.9361 1.00000
154 0.9706 1.00000
155 0.9706 1.00000
156 0.9789 1.00000
157 1.0523 1.00000
158 1.1094 1.00000
159 1.1094 1.00000
160 1.1276 1.00000
161 1.1876 1.00000
162 1.1876 1.00000
163 1.2827 1.00000
164 1.3000 1.00000
165 1.5526 1.00000
166 1.6437 1.00000
167 1.6437 1.00000
168 1.7164 1.00000
169 1.8714 1.00000
170 1.8869 1.00000
171 1.9055 1.00000
172 1.9055 1.00000
173 1.9880 1.00000
174 2.0078 1.00000
175 2.0078 1.00000
176 2.2047 1.00000
177 2.2372 1.00000
178 2.3266 1.00000
179 2.3266 1.00000
180 2.3491 1.00000
181 2.3865 1.00000
182 2.4702 1.00000
183 2.4702 1.00000
184 2.5059 1.00000
185 2.5896 1.00000
186 2.5896 1.00000
187 2.6080 1.00000
188 2.7093 1.00000
189 2.7093 1.00000
190 2.7128 1.00000
191 2.7380 1.00000
192 2.7910 1.00000
193 5.7027 0.00000
194 5.7266 0.00000
195 5.7265 0.00000
196 5.7381 0.00000
197 5.7817 0.00000
198 5.8130 0.00000
199 5.8129 0.00000
200 5.8331 0.00000
201 5.8539 0.00000
202 5.8781 0.00000
203 5.8834 0.00000
204 5.8834 0.00000
205 5.8914 0.00000
206 5.8914 0.00000
207 5.9208 0.00000
208 5.9218 0.00000
209 6.1321 0.00000
210 6.1965 0.00000
211 6.2062 0.00000
212 6.2062 0.00000
213 6.2055 0.00000
214 6.2244 0.00000
215 6.2341 0.00000
216 6.2337 0.00000
217 6.2382 0.00000
218 6.2642 0.00000
219 6.2642 0.00000
220 6.2700 0.00000
221 6.3280 0.00000
222 6.3980 0.00000
223 6.3979 0.00000
224 6.3994 0.00000
225 6.4305 0.00000
226 6.5258 0.00000
227 6.5257 0.00000
228 6.5393 0.00000
229 6.5615 0.00000
230 6.7101 0.00000
231 6.7100 0.00000
232 6.7576 0.00000
233 6.7575 0.00000
234 6.7662 0.00000
235 6.8327 0.00000
236 6.9068 0.00000
237 6.9157 0.00000
238 6.9829 0.00000
239 6.9828 0.00000
240 7.1206 0.00000
241 8.1471 0.00000
242 8.2359 0.00000
243 8.2394 0.00000
244 8.2717 0.00000
245 8.3546 0.00000
246 8.3565 0.00000
247 8.3571 0.00000
248 8.4391 0.00000
249 8.5027 0.00000
250 8.5777 0.00000
251 8.5799 0.00000
252 8.6614 0.00000
253 9.0772 0.00000
254 9.2026 0.00000
255 9.3033 0.00000
256 9.3489 0.00000
k-point 7 : 0.0833 0.0833 0.2500
band No. band energies occupation
1 -53.6376 1.00000
2 -53.6273 1.00000
3 -53.6273 1.00000
4 -53.6253 1.00000
5 -53.6252 1.00000
6 -53.6252 1.00000
7 -53.6159 1.00000
8 -53.6143 1.00000
9 -53.6120 1.00000
10 -53.6104 1.00000
11 -53.6080 1.00000
12 -53.6046 1.00000
13 -53.6046 1.00000
14 -53.6025 1.00000
15 -53.6025 1.00000
16 -53.5957 1.00000
17 -30.0216 1.00000
18 -30.0144 1.00000
19 -30.0144 1.00000
20 -30.0048 1.00000
21 -30.0048 1.00000
22 -30.0041 1.00000
23 -29.9980 1.00000
24 -29.9922 1.00000
25 -29.9868 1.00000
26 -29.9390 1.00000
27 -29.9348 1.00000
28 -29.9348 1.00000
29 -29.9322 1.00000
30 -29.9322 1.00000
31 -29.8775 1.00000
32 -29.8768 1.00000
33 -29.8708 1.00000
34 -29.8699 1.00000
35 -29.8565 1.00000
36 -29.8514 1.00000
37 -29.8438 1.00000
38 -29.8438 1.00000
39 -29.8422 1.00000
40 -29.8422 1.00000
41 -29.8413 1.00000
42 -29.8393 1.00000
43 -29.8185 1.00000
44 -29.8185 1.00000
45 -29.8180 1.00000
46 -29.8180 1.00000
47 -29.8143 1.00000
48 -29.7769 1.00000
49 -29.7755 1.00000
50 -29.7680 1.00000
51 -29.7680 1.00000
52 -29.7662 1.00000
53 -29.7662 1.00000
54 -29.7625 1.00000
55 -29.7623 1.00000
56 -29.7512 1.00000
57 -29.7471 1.00000
58 -29.7433 1.00000
59 -29.7390 1.00000
60 -29.7390 1.00000
61 -29.7387 1.00000
62 -29.7322 1.00000
63 -29.7322 1.00000
64 -29.7287 1.00000
65 -14.4653 1.00000
66 -14.1891 1.00000
67 -14.0321 1.00000
68 -14.0321 1.00000
69 -13.9967 1.00000
70 -13.9967 1.00000
71 -13.8062 1.00000
72 -13.5553 1.00000
73 -13.4848 1.00000
74 -13.4095 1.00000
75 -13.3505 1.00000
76 -13.3369 1.00000
77 -13.3369 1.00000
78 -13.3297 1.00000
79 -13.3297 1.00000
80 -13.3092 1.00000
81 -13.2590 1.00000
82 -13.2570 1.00000
83 -13.2166 1.00000
84 -13.2057 1.00000
85 -13.2057 1.00000
86 -13.1668 1.00000
87 -13.1668 1.00000
88 -13.1298 1.00000
89 -13.0945 1.00000
90 -13.0945 1.00000
91 -13.0864 1.00000
92 -13.0864 1.00000
93 -13.0241 1.00000
94 -13.0092 1.00000
95 -12.9932 1.00000
96 -12.9764 1.00000
97 -1.4480 1.00000
98 -1.4480 1.00000
99 -1.4196 1.00000
100 -1.3692 1.00000
101 -1.3674 1.00000
102 -1.3511 1.00000
103 -1.3511 1.00000
104 -1.2618 1.00000
105 -1.1080 1.00000
106 -1.1080 1.00000
107 -1.1045 1.00000
108 -1.0289 1.00000
109 -0.9646 1.00000
110 -0.9646 1.00000
111 -0.9536 1.00000
112 -0.9312 1.00000
113 -0.7921 1.00000
114 -0.7753 1.00000
115 -0.7671 1.00000
116 -0.7648 1.00000
117 -0.7349 1.00000
118 -0.6854 1.00000
119 -0.6854 1.00000
120 -0.6748 1.00000
121 -0.6748 1.00000
122 -0.6617 1.00000
123 -0.6617 1.00000
124 -0.6432 1.00000
125 -0.6354 1.00000
126 -0.6237 1.00000
127 -0.6237 1.00000
128 -0.6042 1.00000
129 -0.5853 1.00000
130 -0.5724 1.00000
131 -0.5635 1.00000
132 -0.4382 1.00000
133 -0.1663 1.00000
134 -0.1663 1.00000
135 -0.1552 1.00000
136 -0.1552 1.00000
137 0.1266 1.00000
138 0.1736 1.00000
139 0.3009 1.00000
140 0.3404 1.00000
141 0.5305 1.00000
142 0.5305 1.00000
143 0.7510 1.00000
144 0.7510 1.00000
145 0.8606 1.00000
146 0.8606 1.00000
147 0.9080 1.00000
148 0.9080 1.00000
149 0.9620 1.00000
150 0.9727 1.00000
151 1.0157 1.00000
152 1.0191 1.00000
153 1.0462 1.00000
154 1.0462 1.00000
155 1.0544 1.00000
156 1.1105 1.00000
157 1.1105 1.00000
158 1.1224 1.00000
159 1.1560 1.00000
160 1.3380 1.00000
161 1.4147 1.00000
162 1.4523 1.00000
163 1.4523 1.00000
164 1.5517 1.00000
165 1.5517 1.00000
166 1.5879 1.00000
167 1.6794 1.00000
168 1.6973 1.00000
169 1.8021 1.00000
170 1.9768 1.00000
171 1.9867 1.00000
172 1.9953 1.00000
173 1.9953 1.00000
174 2.0037 1.00000
175 2.0037 1.00000
176 2.0984 1.00000
177 2.0984 1.00000
178 2.1112 1.00000
179 2.1112 1.00000
180 2.1248 1.00000
181 2.2310 1.00000
182 2.2310 1.00000
183 2.2350 1.00000
184 2.2350 1.00000
185 2.5238 1.00000
186 2.6047 1.00000
187 2.7318 1.00000
188 2.7527 1.00000
189 2.7550 1.00000
190 2.7888 1.00000
191 2.8481 1.00000
192 2.8689 1.00000
193 5.0670 0.00000
194 5.2147 0.00000
195 5.4369 0.00000
196 5.5986 0.00000
197 5.9973 0.00000
198 5.9973 0.00000
199 6.0056 0.00000
200 6.0056 0.00000
201 6.0449 0.00000
202 6.0825 0.00000
203 6.1169 0.00000
204 6.1600 0.00000
205 6.1682 0.00000
206 6.1682 0.00000
207 6.1813 0.00000
208 6.1812 0.00000
209 6.2926 0.00000
210 6.2925 0.00000
211 6.2980 0.00000
212 6.2979 0.00000
213 6.3538 0.00000
214 6.3538 0.00000
215 6.3590 0.00000
216 6.3748 0.00000
217 6.3746 0.00000
218 6.3854 0.00000
219 6.4388 0.00000
220 6.4453 0.00000
221 6.4515 0.00000
222 6.4587 0.00000
223 6.5487 0.00000
224 6.5709 0.00000
225 6.7571 0.00000
226 6.7609 0.00000
227 6.8570 0.00000
228 6.8603 0.00000
229 6.9293 0.00000
230 6.9292 0.00000
231 6.9725 0.00000
232 6.9723 0.00000
233 7.1026 0.00000
234 7.1025 0.00000
235 7.1215 0.00000
236 7.1214 0.00000
237 7.4810 0.00000
238 7.4990 0.00000
239 7.5009 0.00000
240 7.5225 0.00000
241 7.5251 0.00000
242 7.6331 0.00000
243 7.7662 0.00000
244 7.9248 0.00000
245 7.9602 0.00000
246 7.9610 0.00000
247 7.9651 0.00000
248 7.9770 0.00000
249 7.9773 0.00000
250 8.2203 0.00000
251 8.6897 0.00000
252 8.7312 0.00000
253 8.7714 0.00000
254 8.8178 0.00000
255 8.9391 0.00000
256 9.0107 0.00000
k-point 8 : 0.2500 0.0833 0.2500
band No. band energies occupation
1 -53.6366 1.00000
2 -53.6299 1.00000
3 -53.6263 1.00000
4 -53.6248 1.00000
5 -53.6242 1.00000
6 -53.6239 1.00000
7 -53.6189 1.00000
8 -53.6169 1.00000
9 -53.6099 1.00000
10 -53.6080 1.00000
11 -53.6079 1.00000
12 -53.6064 1.00000
13 -53.6051 1.00000
14 -53.6030 1.00000
15 -53.6004 1.00000
16 -53.5962 1.00000
17 -30.0213 1.00000
18 -30.0189 1.00000
19 -30.0138 1.00000
20 -30.0090 1.00000
21 -30.0044 1.00000
22 -30.0009 1.00000
23 -29.9901 1.00000
24 -29.9798 1.00000
25 -29.9737 1.00000
26 -29.9445 1.00000
27 -29.9392 1.00000
28 -29.9360 1.00000
29 -29.9281 1.00000
30 -29.9200 1.00000
31 -29.8774 1.00000
32 -29.8767 1.00000
33 -29.8729 1.00000
34 -29.8625 1.00000
35 -29.8612 1.00000
36 -29.8546 1.00000
37 -29.8525 1.00000
38 -29.8512 1.00000
39 -29.8510 1.00000
40 -29.8458 1.00000
41 -29.8409 1.00000
42 -29.8397 1.00000
43 -29.8247 1.00000
44 -29.8238 1.00000
45 -29.8165 1.00000
46 -29.8137 1.00000
47 -29.8101 1.00000
48 -29.7836 1.00000
49 -29.7749 1.00000
50 -29.7700 1.00000
51 -29.7681 1.00000
52 -29.7657 1.00000
53 -29.7647 1.00000
54 -29.7627 1.00000
55 -29.7614 1.00000
56 -29.7575 1.00000
57 -29.7529 1.00000
58 -29.7461 1.00000
59 -29.7392 1.00000
60 -29.7371 1.00000
61 -29.7332 1.00000
62 -29.7304 1.00000
63 -29.7267 1.00000
64 -29.7258 1.00000
65 -14.4077 1.00000
66 -14.1409 1.00000
67 -14.0998 1.00000
68 -13.9917 1.00000
69 -13.9553 1.00000
70 -13.9189 1.00000
71 -13.7626 1.00000
72 -13.5200 1.00000
73 -13.4753 1.00000
74 -13.4609 1.00000
75 -13.4277 1.00000
76 -13.3884 1.00000
77 -13.3625 1.00000
78 -13.3570 1.00000
79 -13.3249 1.00000
80 -13.2961 1.00000
81 -13.2888 1.00000
82 -13.2542 1.00000
83 -13.2391 1.00000
84 -13.2385 1.00000
85 -13.1958 1.00000
86 -13.1945 1.00000
87 -13.1563 1.00000
88 -13.1148 1.00000
89 -13.0939 1.00000
90 -13.0879 1.00000
91 -13.0781 1.00000
92 -13.0605 1.00000
93 -13.0494 1.00000
94 -13.0397 1.00000
95 -13.0093 1.00000
96 -12.9821 1.00000
97 -1.5734 1.00000
98 -1.5318 1.00000
99 -1.5106 1.00000
100 -1.4953 1.00000
101 -1.4411 1.00000
102 -1.3799 1.00000
103 -1.3574 1.00000
104 -1.2860 1.00000
105 -1.1040 1.00000
106 -1.0857 1.00000
107 -1.0071 1.00000
108 -1.0009 1.00000
109 -0.9970 1.00000
110 -0.9638 1.00000
111 -0.9119 1.00000
112 -0.8785 1.00000
113 -0.8279 1.00000
114 -0.7779 1.00000
115 -0.7664 1.00000
116 -0.7555 1.00000
117 -0.7340 1.00000
118 -0.7051 1.00000
119 -0.7048 1.00000
120 -0.6836 1.00000
121 -0.6610 1.00000
122 -0.6173 1.00000
123 -0.6101 1.00000
124 -0.5539 1.00000
125 -0.5534 1.00000
126 -0.5145 1.00000
127 -0.5131 1.00000
128 -0.4390 1.00000
129 -0.4213 1.00000
130 -0.4161 1.00000
131 -0.3152 1.00000
132 -0.3066 1.00000
133 -0.1707 1.00000
134 -0.1664 1.00000
135 -0.1663 1.00000
136 -0.1357 1.00000
137 0.0018 1.00000
138 0.0770 1.00000
139 0.3651 1.00000
140 0.4161 1.00000
141 0.4165 1.00000
142 0.4432 1.00000
143 0.6088 1.00000
144 0.6811 1.00000
145 0.7270 1.00000
146 0.8069 1.00000
147 0.8286 1.00000
148 0.8591 1.00000
149 0.8710 1.00000
150 0.8938 1.00000
151 0.9735 1.00000
152 0.9764 1.00000
153 0.9907 1.00000
154 0.9937 1.00000
155 1.0128 1.00000
156 1.0400 1.00000
157 1.1928 1.00000
158 1.2115 1.00000
159 1.2779 1.00000
160 1.3851 1.00000
161 1.4481 1.00000
162 1.5895 1.00000
163 1.6207 1.00000
164 1.6333 1.00000
165 1.6357 1.00000
166 1.6645 1.00000
167 1.6759 1.00000
168 1.6855 1.00000
169 1.7327 1.00000
170 1.7705 1.00000
171 1.7948 1.00000
172 1.9436 1.00000
173 2.0072 1.00000
174 2.0290 1.00000
175 2.0416 1.00000
176 2.1323 1.00000
177 2.1715 1.00000
178 2.1970 1.00000
179 2.2672 1.00000
180 2.2915 1.00000
181 2.3053 1.00000
182 2.3128 1.00000
183 2.3167 1.00000
184 2.3424 1.00000
185 2.3649 1.00000
186 2.5426 1.00000
187 2.5701 1.00000
188 2.6062 1.00000
189 2.6294 1.00000
190 2.6881 1.00000
191 2.8472 1.00000
192 2.8618 1.00000
193 5.3271 0.00000
194 5.3806 0.00000
195 5.6000 0.00000
196 5.6628 0.00000
197 5.8757 0.00000
198 5.9150 0.00000
199 5.9220 0.00000
200 5.9482 0.00000
201 5.9635 0.00000
202 5.9824 0.00000
203 6.0024 0.00000
204 6.0218 0.00000
205 6.1106 0.00000
206 6.1293 0.00000
207 6.1395 0.00000
208 6.1540 0.00000
209 6.2667 0.00000
210 6.2796 0.00000
211 6.2842 0.00000
212 6.2943 0.00000
213 6.3005 0.00000
214 6.3081 0.00000
215 6.3115 0.00000
216 6.3123 0.00000
217 6.3172 0.00000
218 6.3541 0.00000
219 6.4177 0.00000
220 6.4275 0.00000
221 6.4384 0.00000
222 6.4397 0.00000
223 6.4602 0.00000
224 6.4701 0.00000
225 6.4889 0.00000
226 6.5862 0.00000
227 6.7188 0.00000
228 6.7662 0.00000
229 6.8101 0.00000
230 6.8970 0.00000
231 6.9066 0.00000
232 6.9642 0.00000
233 7.0286 0.00000
234 7.0898 0.00000
235 7.1034 0.00000
236 7.1093 0.00000
237 7.3559 0.00000
238 7.3730 0.00000
239 7.4163 0.00000
240 7.4438 0.00000
241 7.6510 0.00000
242 7.7502 0.00000
243 7.8917 0.00000
244 7.9352 0.00000
245 8.0837 0.00000
246 8.1368 0.00000
247 8.1863 0.00000
248 8.1882 0.00000
249 8.2856 0.00000
250 8.3943 0.00000
251 8.6432 0.00000
252 8.6781 0.00000
253 8.7206 0.00000
254 8.8544 0.00000
255 9.0041 0.00000
256 9.0884 0.00000
k-point 9 : 0.4167 0.0833 0.2500
band No. band energies occupation
1 -53.6349 1.00000
2 -53.6325 1.00000
3 -53.6244 1.00000
4 -53.6241 1.00000
5 -53.6236 1.00000
6 -53.6223 1.00000
7 -53.6219 1.00000
8 -53.6198 1.00000
9 -53.6079 1.00000
10 -53.6078 1.00000
11 -53.6075 1.00000
12 -53.6062 1.00000
13 -53.6057 1.00000
14 -53.6041 1.00000
15 -53.5986 1.00000
16 -53.5971 1.00000
17 -30.0210 1.00000
18 -30.0205 1.00000
19 -30.0128 1.00000
20 -30.0114 1.00000
21 -30.0037 1.00000
22 -30.0027 1.00000
23 -29.9723 1.00000
24 -29.9636 1.00000
25 -29.9582 1.00000
26 -29.9559 1.00000
27 -29.9489 1.00000
28 -29.9447 1.00000
29 -29.9138 1.00000
30 -29.9002 1.00000
31 -29.8943 1.00000
32 -29.8765 1.00000
33 -29.8730 1.00000
34 -29.8727 1.00000
35 -29.8640 1.00000
36 -29.8635 1.00000
37 -29.8501 1.00000
38 -29.8496 1.00000
39 -29.8487 1.00000
40 -29.8478 1.00000
41 -29.8402 1.00000
42 -29.8399 1.00000
43 -29.8362 1.00000
44 -29.8350 1.00000
45 -29.8131 1.00000
46 -29.8100 1.00000
47 -29.8054 1.00000
48 -29.7943 1.00000
49 -29.7737 1.00000
50 -29.7720 1.00000
51 -29.7667 1.00000
52 -29.7637 1.00000
53 -29.7634 1.00000
54 -29.7630 1.00000
55 -29.7629 1.00000
56 -29.7590 1.00000
57 -29.7581 1.00000
58 -29.7527 1.00000
59 -29.7362 1.00000
60 -29.7356 1.00000
61 -29.7298 1.00000
62 -29.7290 1.00000
63 -29.7235 1.00000
64 -29.7233 1.00000
65 -14.3091 1.00000
66 -14.1972 1.00000
67 -14.0717 1.00000
68 -14.0168 1.00000
69 -13.8164 1.00000
70 -13.7777 1.00000
71 -13.6695 1.00000
72 -13.6435 1.00000
73 -13.6010 1.00000
74 -13.5264 1.00000
75 -13.4585 1.00000
76 -13.4171 1.00000
77 -13.3948 1.00000
78 -13.3609 1.00000
79 -13.3504 1.00000
80 -13.3402 1.00000
81 -13.2454 1.00000
82 -13.2398 1.00000
83 -13.2328 1.00000
84 -13.2038 1.00000
85 -13.1938 1.00000
86 -13.1521 1.00000
87 -13.1355 1.00000
88 -13.1319 1.00000
89 -13.0960 1.00000
90 -13.0870 1.00000
91 -13.0817 1.00000
92 -13.0746 1.00000
93 -13.0580 1.00000
94 -13.0573 1.00000
95 -13.0511 1.00000
96 -13.0201 1.00000
97 -1.5116 1.00000
98 -1.4981 1.00000
99 -1.4704 1.00000
100 -1.4551 1.00000
101 -1.4313 1.00000
102 -1.3932 1.00000
103 -1.3865 1.00000
104 -1.2975 1.00000
105 -1.2669 1.00000
106 -1.2626 1.00000
107 -1.2348 1.00000
108 -1.1641 1.00000
109 -1.0977 1.00000
110 -1.0926 1.00000
111 -0.9447 1.00000
112 -0.9354 1.00000
113 -0.7895 1.00000
114 -0.7833 1.00000
115 -0.7504 1.00000
116 -0.7283 1.00000
117 -0.7152 1.00000
118 -0.6962 1.00000
119 -0.6954 1.00000
120 -0.6683 1.00000
121 -0.6478 1.00000
122 -0.6185 1.00000
123 -0.5572 1.00000
124 -0.5381 1.00000
125 -0.4485 1.00000
126 -0.3936 1.00000
127 -0.3931 1.00000
128 -0.3450 1.00000
129 -0.2931 1.00000
130 -0.2353 1.00000
131 -0.1935 1.00000
132 -0.1720 1.00000
133 -0.0654 1.00000
134 0.0260 1.00000
135 0.1253 1.00000
136 0.1993 1.00000
137 0.2392 1.00000
138 0.2595 1.00000
139 0.3233 1.00000
140 0.3333 1.00000
141 0.4544 1.00000
142 0.4922 1.00000
143 0.5476 1.00000
144 0.5605 1.00000
145 0.5617 1.00000
146 0.6019 1.00000
147 0.6458 1.00000
148 0.8541 1.00000
149 0.8734 1.00000
150 0.8772 1.00000
151 0.8993 1.00000
152 0.9039 1.00000
153 0.9414 1.00000
154 0.9415 1.00000
155 0.9893 1.00000
156 0.9895 1.00000
157 1.0812 1.00000
158 1.1155 1.00000
159 1.1571 1.00000
160 1.2268 1.00000
161 1.3064 1.00000
162 1.4299 1.00000
163 1.4587 1.00000
164 1.5148 1.00000
165 1.5953 1.00000
166 1.6479 1.00000
167 1.6535 1.00000
168 1.7825 1.00000
169 1.8698 1.00000
170 1.9559 1.00000
171 1.9794 1.00000
172 2.0108 1.00000
173 2.0398 1.00000
174 2.1144 1.00000
175 2.1327 1.00000
176 2.1909 1.00000
177 2.2350 1.00000
178 2.2644 1.00000
179 2.2702 1.00000
180 2.3232 1.00000
181 2.3278 1.00000
182 2.3673 1.00000
183 2.3722 1.00000
184 2.4176 1.00000
185 2.4355 1.00000
186 2.4571 1.00000
187 2.5201 1.00000
188 2.5277 1.00000
189 2.5969 1.00000
190 2.6025 1.00000
191 2.7724 1.00000
192 2.7781 1.00000
193 5.5483 0.00000
194 5.6481 0.00000
195 5.7155 0.00000
196 5.8081 0.00000
197 5.8322 0.00000
198 5.8436 0.00000
199 5.8734 0.00000
200 5.8750 0.00000
201 5.9052 0.00000
202 5.9250 0.00000
203 5.9412 0.00000
204 5.9573 0.00000
205 6.0162 0.00000
206 6.0278 0.00000
207 6.0371 0.00000
208 6.0550 0.00000
209 6.0776 0.00000
210 6.1546 0.00000
211 6.1559 0.00000
212 6.2155 0.00000
213 6.2382 0.00000
214 6.2867 0.00000
215 6.2884 0.00000
216 6.2899 0.00000
217 6.3051 0.00000
218 6.3107 0.00000
219 6.3128 0.00000
220 6.3290 0.00000
221 6.4324 0.00000
222 6.4341 0.00000
223 6.4379 0.00000
224 6.4507 0.00000
225 6.4511 0.00000
226 6.4933 0.00000
227 6.5650 0.00000
228 6.5665 0.00000
229 6.9023 0.00000
230 6.9803 0.00000
231 6.9845 0.00000
232 7.0153 0.00000
233 7.0218 0.00000
234 7.0593 0.00000
235 7.1148 0.00000
236 7.1619 0.00000
237 7.1655 0.00000
238 7.1861 0.00000
239 7.2690 0.00000
240 7.3036 0.00000
241 7.7275 0.00000
242 7.8063 0.00000
243 7.8080 0.00000
244 7.8684 0.00000
245 8.3751 0.00000
246 8.3810 0.00000
247 8.3911 0.00000
248 8.4186 0.00000
249 8.5199 0.00000
250 8.5319 0.00000
251 8.5476 0.00000
252 8.5523 0.00000
253 8.6013 0.00000
254 8.6667 0.00000
255 8.7327 0.00000
256 9.1585 0.00000
k-point 10 : 0.2500 0.2500 0.2500
band No. band energies occupation
1 -53.6357 1.00000
2 -53.6289 1.00000
3 -53.6289 1.00000
4 -53.6243 1.00000
5 -53.6230 1.00000
6 -53.6230 1.00000
7 -53.6217 1.00000
8 -53.6170 1.00000
9 -53.6103 1.00000
10 -53.6081 1.00000
11 -53.6068 1.00000
12 -53.6068 1.00000
13 -53.6056 1.00000
14 -53.6009 1.00000
15 -53.6009 1.00000
16 -53.5967 1.00000
17 -30.0210 1.00000
18 -30.0184 1.00000
19 -30.0184 1.00000
20 -30.0138 1.00000
21 -29.9934 1.00000
22 -29.9900 1.00000
23 -29.9900 1.00000
24 -29.9757 1.00000
25 -29.9613 1.00000
26 -29.9488 1.00000
27 -29.9335 1.00000
28 -29.9335 1.00000
29 -29.9236 1.00000
30 -29.9236 1.00000
31 -29.8842 1.00000
32 -29.8764 1.00000
33 -29.8749 1.00000
34 -29.8619 1.00000
35 -29.8571 1.00000
36 -29.8539 1.00000
37 -29.8537 1.00000
38 -29.8537 1.00000
39 -29.8536 1.00000
40 -29.8501 1.00000
41 -29.8501 1.00000
42 -29.8459 1.00000
43 -29.8226 1.00000
44 -29.8226 1.00000
45 -29.8191 1.00000
46 -29.8191 1.00000
47 -29.8101 1.00000
48 -29.7886 1.00000
49 -29.7759 1.00000
50 -29.7707 1.00000
51 -29.7707 1.00000
52 -29.7638 1.00000
53 -29.7638 1.00000
54 -29.7628 1.00000
55 -29.7628 1.00000
56 -29.7595 1.00000
57 -29.7525 1.00000
58 -29.7441 1.00000
59 -29.7441 1.00000
60 -29.7424 1.00000
61 -29.7278 1.00000
62 -29.7248 1.00000
63 -29.7248 1.00000
64 -29.7233 1.00000
65 -14.3479 1.00000
66 -14.0865 1.00000
67 -14.0256 1.00000
68 -14.0256 1.00000
69 -13.9144 1.00000
70 -13.9144 1.00000
71 -13.7251 1.00000
72 -13.5804 1.00000
73 -13.4851 1.00000
74 -13.4610 1.00000
75 -13.4368 1.00000
76 -13.3629 1.00000
77 -13.3449 1.00000
78 -13.3449 1.00000
79 -13.3161 1.00000
80 -13.3161 1.00000
81 -13.3061 1.00000
82 -13.2903 1.00000
83 -13.2903 1.00000
84 -13.2427 1.00000
85 -13.2427 1.00000
86 -13.2221 1.00000
87 -13.1968 1.00000
88 -13.1090 1.00000
89 -13.1011 1.00000
90 -13.0874 1.00000
91 -13.0874 1.00000
92 -13.0741 1.00000
93 -13.0402 1.00000
94 -13.0402 1.00000
95 -13.0225 1.00000
96 -12.9719 1.00000
97 -1.5934 1.00000
98 -1.5667 1.00000
99 -1.5667 1.00000
100 -1.5477 1.00000
101 -1.5017 1.00000
102 -1.5017 1.00000
103 -1.4841 1.00000
104 -1.3668 1.00000
105 -1.0492 1.00000
106 -1.0361 1.00000
107 -0.9469 1.00000
108 -0.9465 1.00000
109 -0.9347 1.00000
110 -0.9347 1.00000
111 -0.9238 1.00000
112 -0.9238 1.00000
113 -0.9186 1.00000
114 -0.8411 1.00000
115 -0.8411 1.00000
116 -0.7814 1.00000
117 -0.6610 1.00000
118 -0.5927 1.00000
119 -0.5927 1.00000
120 -0.5250 1.00000
121 -0.5250 1.00000
122 -0.5202 1.00000
123 -0.4969 1.00000
124 -0.4909 1.00000
125 -0.4710 1.00000
126 -0.4030 1.00000
127 -0.4030 1.00000
128 -0.3912 1.00000
129 -0.3372 1.00000
130 -0.3130 1.00000
131 -0.2619 1.00000
132 -0.2574 1.00000
133 -0.1699 1.00000
134 -0.1699 1.00000
135 -0.1268 1.00000
136 -0.1268 1.00000
137 -0.0969 1.00000
138 0.1344 1.00000
139 0.2780 1.00000
140 0.2883 1.00000
141 0.2883 1.00000
142 0.4120 1.00000
143 0.6032 1.00000
144 0.6032 1.00000
145 0.6496 1.00000
146 0.6794 1.00000
147 0.6794 1.00000
148 0.6968 1.00000
149 0.8879 1.00000
150 0.8879 1.00000
151 0.9163 1.00000
152 1.0342 1.00000
153 1.0511 1.00000
154 1.0511 1.00000
155 1.0583 1.00000
156 1.1836 1.00000
157 1.1987 1.00000
158 1.1987 1.00000
159 1.2773 1.00000
160 1.4041 1.00000
161 1.4802 1.00000
162 1.5744 1.00000
163 1.5744 1.00000
164 1.6453 1.00000
165 1.6711 1.00000
166 1.6984 1.00000
167 1.6984 1.00000
168 1.7345 1.00000
169 1.7918 1.00000
170 1.7918 1.00000
171 1.8038 1.00000
172 1.8435 1.00000
173 1.8435 1.00000
174 1.8817 1.00000
175 2.0610 1.00000
176 2.1133 1.00000
177 2.2463 1.00000
178 2.2727 1.00000
179 2.2727 1.00000
180 2.2936 1.00000
181 2.2936 1.00000
182 2.3570 1.00000
183 2.4213 1.00000
184 2.4213 1.00000
185 2.4531 1.00000
186 2.4531 1.00000
187 2.5068 1.00000
188 2.5300 1.00000
189 2.6499 1.00000
190 2.6503 1.00000
191 2.8318 1.00000
192 2.8482 1.00000
193 5.5388 0.00000
194 5.5681 0.00000
195 5.6414 0.00000
196 5.6810 0.00000
197 5.8432 0.00000
198 5.8432 0.00000
199 5.8641 0.00000
200 5.8640 0.00000
201 5.8945 0.00000
202 5.9667 0.00000
203 5.9871 0.00000
204 5.9871 0.00000
205 6.0182 0.00000
206 6.0182 0.00000
207 6.0845 0.00000
208 6.1453 0.00000
209 6.1714 0.00000
210 6.2131 0.00000
211 6.2421 0.00000
212 6.2586 0.00000
213 6.2610 0.00000
214 6.2610 0.00000
215 6.2800 0.00000
216 6.2799 0.00000
217 6.3184 0.00000
218 6.3664 0.00000
219 6.3663 0.00000
220 6.3879 0.00000
221 6.4093 0.00000
222 6.4093 0.00000
223 6.4109 0.00000
224 6.4412 0.00000
225 6.5264 0.00000
226 6.5536 0.00000
227 6.5740 0.00000
228 6.6640 0.00000
229 6.6952 0.00000
230 6.6950 0.00000
231 6.8039 0.00000
232 6.8038 0.00000
233 6.9507 0.00000
234 6.9507 0.00000
235 7.0431 0.00000
236 7.0430 0.00000
237 7.2263 0.00000
238 7.2775 0.00000
239 7.2881 0.00000
240 7.3685 0.00000
241 7.8749 0.00000
242 7.8968 0.00000
243 8.1261 0.00000
244 8.1270 0.00000
245 8.1333 0.00000
246 8.1350 0.00000
247 8.2440 0.00000
248 8.4484 0.00000
249 8.4754 0.00000
250 8.6290 0.00000
251 8.6564 0.00000
252 8.7170 0.00000
253 8.7752 0.00000
254 8.8125 0.00000
255 9.0977 0.00000
256 9.1416 0.00000
k-point 11 : 0.4167 0.2500 0.2500
band No. band energies occupation
1 -53.6339 1.00000
2 -53.6315 1.00000
3 -53.6270 1.00000
4 -53.6245 1.00000
5 -53.6234 1.00000
6 -53.6228 1.00000
7 -53.6212 1.00000
8 -53.6190 1.00000
9 -53.6091 1.00000
10 -53.6082 1.00000
11 -53.6078 1.00000
12 -53.6078 1.00000
13 -53.6035 1.00000
14 -53.6020 1.00000
15 -53.5991 1.00000
16 -53.5976 1.00000
17 -30.0206 1.00000
18 -30.0200 1.00000
19 -30.0174 1.00000
20 -30.0161 1.00000
21 -29.9910 1.00000
22 -29.9902 1.00000
23 -29.9732 1.00000
24 -29.9610 1.00000
25 -29.9584 1.00000
26 -29.9458 1.00000
27 -29.9450 1.00000
28 -29.9321 1.00000
29 -29.9205 1.00000
30 -29.9040 1.00000
31 -29.9026 1.00000
32 -29.8811 1.00000
33 -29.8718 1.00000
34 -29.8710 1.00000
35 -29.8637 1.00000
36 -29.8625 1.00000
37 -29.8546 1.00000
38 -29.8544 1.00000
39 -29.8493 1.00000
40 -29.8484 1.00000
41 -29.8465 1.00000
42 -29.8424 1.00000
43 -29.8337 1.00000
44 -29.8295 1.00000
45 -29.8184 1.00000
46 -29.8134 1.00000
47 -29.8103 1.00000
48 -29.7990 1.00000
49 -29.7751 1.00000
50 -29.7732 1.00000
51 -29.7702 1.00000
52 -29.7673 1.00000
53 -29.7628 1.00000
54 -29.7627 1.00000
55 -29.7612 1.00000
56 -29.7569 1.00000
57 -29.7557 1.00000
58 -29.7504 1.00000
59 -29.7422 1.00000
60 -29.7419 1.00000
61 -29.7243 1.00000
62 -29.7234 1.00000
63 -29.7216 1.00000
64 -29.7212 1.00000
65 -14.2449 1.00000
66 -14.1277 1.00000
67 -14.0065 1.00000
68 -13.9428 1.00000
69 -13.8928 1.00000
70 -13.7747 1.00000
71 -13.7311 1.00000
72 -13.6429 1.00000
73 -13.6041 1.00000
74 -13.5087 1.00000
75 -13.4244 1.00000
76 -13.3936 1.00000
77 -13.3532 1.00000
78 -13.3367 1.00000
79 -13.3364 1.00000
80 -13.3290 1.00000
81 -13.3284 1.00000
82 -13.3035 1.00000
83 -13.2597 1.00000
84 -13.2216 1.00000
85 -13.2131 1.00000
86 -13.2123 1.00000
87 -13.1836 1.00000
88 -13.1604 1.00000
89 -13.1299 1.00000
90 -13.1285 1.00000
91 -13.0755 1.00000
92 -13.0740 1.00000
93 -13.0516 1.00000
94 -13.0474 1.00000
95 -13.0208 1.00000
96 -12.9926 1.00000
97 -1.5780 1.00000
98 -1.5561 1.00000
99 -1.5509 1.00000
100 -1.5249 1.00000
101 -1.5055 1.00000
102 -1.4629 1.00000
103 -1.4377 1.00000
104 -1.3328 1.00000
105 -1.2932 1.00000
106 -1.2754 1.00000
107 -1.2318 1.00000
108 -1.1815 1.00000
109 -0.9642 1.00000
110 -0.9470 1.00000
111 -0.9458 1.00000
112 -0.9364 1.00000
113 -0.9066 1.00000
114 -0.8694 1.00000
115 -0.8014 1.00000
116 -0.7904 1.00000
117 -0.5825 1.00000
118 -0.5740 1.00000
119 -0.5234 1.00000
120 -0.4996 1.00000
121 -0.4753 1.00000
122 -0.4273 1.00000
123 -0.4135 1.00000
124 -0.3774 1.00000
125 -0.3599 1.00000
126 -0.3516 1.00000
127 -0.3451 1.00000
128 -0.3167 1.00000
129 -0.2878 1.00000
130 -0.1891 1.00000
131 -0.1690 1.00000
132 -0.1354 1.00000
133 -0.1154 1.00000
134 0.0178 1.00000
135 0.0858 1.00000
136 0.1838 1.00000
137 0.2118 1.00000
138 0.3120 1.00000
139 0.3188 1.00000
140 0.3267 1.00000
141 0.3961 1.00000
142 0.4206 1.00000
143 0.4493 1.00000
144 0.4521 1.00000
145 0.5142 1.00000
146 0.5260 1.00000
147 0.5589 1.00000
148 0.6403 1.00000
149 0.7426 1.00000
150 0.8152 1.00000
151 0.9017 1.00000
152 0.9663 1.00000
153 0.9747 1.00000
154 1.0099 1.00000
155 1.0935 1.00000
156 1.1039 1.00000
157 1.1423 1.00000
158 1.2414 1.00000
159 1.2524 1.00000
160 1.2562 1.00000
161 1.3171 1.00000
162 1.3532 1.00000
163 1.4236 1.00000
164 1.4415 1.00000
165 1.5239 1.00000
166 1.5671 1.00000
167 1.7692 1.00000
168 1.8254 1.00000
169 1.8384 1.00000
170 1.8457 1.00000
171 1.9034 1.00000
172 1.9354 1.00000
173 1.9670 1.00000
174 2.0259 1.00000
175 2.0960 1.00000
176 2.1147 1.00000
177 2.2777 1.00000
178 2.2882 1.00000
179 2.2925 1.00000
180 2.2980 1.00000
181 2.3095 1.00000
182 2.3432 1.00000
183 2.3806 1.00000
184 2.4788 1.00000
185 2.4882 1.00000
186 2.5288 1.00000
187 2.5718 1.00000
188 2.6304 1.00000
189 2.6396 1.00000
190 2.6537 1.00000
191 2.7759 1.00000
192 2.7784 1.00000
193 5.6708 0.00000
194 5.7057 0.00000
195 5.7596 0.00000
196 5.7662 0.00000
197 5.7847 0.00000
198 5.8164 0.00000
199 5.8357 0.00000
200 5.8478 0.00000
201 5.8767 0.00000
202 5.8770 0.00000
203 5.9462 0.00000
204 5.9501 0.00000
205 5.9532 0.00000
206 5.9656 0.00000
207 6.0094 0.00000
208 6.0122 0.00000
209 6.0211 0.00000
210 6.1651 0.00000
211 6.1851 0.00000
212 6.1995 0.00000
213 6.2268 0.00000
214 6.2423 0.00000
215 6.2446 0.00000
216 6.2694 0.00000
217 6.3113 0.00000
218 6.3277 0.00000
219 6.3590 0.00000
220 6.3604 0.00000
221 6.3691 0.00000
222 6.3756 0.00000
223 6.3929 0.00000
224 6.4061 0.00000
225 6.4142 0.00000
226 6.4297 0.00000
227 6.4489 0.00000
228 6.5241 0.00000
229 6.6890 0.00000
230 6.7642 0.00000
231 6.8189 0.00000
232 6.8323 0.00000
233 6.9168 0.00000
234 6.9230 0.00000
235 6.9632 0.00000
236 7.0235 0.00000
237 7.0883 0.00000
238 7.0949 0.00000
239 7.1264 0.00000
240 7.2305 0.00000
241 7.9803 0.00000
242 7.9820 0.00000
243 8.0520 0.00000
244 8.0573 0.00000
245 8.3154 0.00000
246 8.3447 0.00000
247 8.4559 0.00000
248 8.4692 0.00000
249 8.5023 0.00000
250 8.6352 0.00000
251 8.7638 0.00000
252 8.8281 0.00000
253 8.8776 0.00000
254 8.9121 0.00000
255 8.9838 0.00000
256 9.1860 0.00000
k-point 12 : 0.4167 0.4167 0.2500
band No. band energies occupation
1 -53.6321 1.00000
2 -53.6297 1.00000
3 -53.6297 1.00000
4 -53.6273 1.00000
5 -53.6223 1.00000
6 -53.6213 1.00000
7 -53.6213 1.00000
8 -53.6198 1.00000
9 -53.6091 1.00000
10 -53.6085 1.00000
11 -53.6085 1.00000
12 -53.6084 1.00000
13 -53.6016 1.00000
14 -53.6001 1.00000
15 -53.6001 1.00000
16 -53.5986 1.00000
17 -30.0200 1.00000
18 -30.0192 1.00000
19 -30.0192 1.00000
20 -30.0182 1.00000
21 -29.9810 1.00000
22 -29.9756 1.00000
23 -29.9756 1.00000
24 -29.9645 1.00000
25 -29.9499 1.00000
26 -29.9338 1.00000
27 -29.9338 1.00000
28 -29.9291 1.00000
29 -29.9178 1.00000
30 -29.9135 1.00000
31 -29.9135 1.00000
32 -29.8939 1.00000
33 -29.8683 1.00000
34 -29.8677 1.00000
35 -29.8622 1.00000
36 -29.8622 1.00000
37 -29.8607 1.00000
38 -29.8607 1.00000
39 -29.8593 1.00000
40 -29.8568 1.00000
41 -29.8386 1.00000
42 -29.8320 1.00000
43 -29.8280 1.00000
44 -29.8280 1.00000
45 -29.8203 1.00000
46 -29.8200 1.00000
47 -29.8200 1.00000
48 -29.8085 1.00000
49 -29.7752 1.00000
50 -29.7732 1.00000
51 -29.7732 1.00000
52 -29.7711 1.00000
53 -29.7616 1.00000
54 -29.7607 1.00000
55 -29.7607 1.00000
56 -29.7579 1.00000
57 -29.7521 1.00000
58 -29.7477 1.00000
59 -29.7477 1.00000
60 -29.7454 1.00000
61 -29.7208 1.00000
62 -29.7201 1.00000
63 -29.7201 1.00000
64 -29.7194 1.00000
65 -14.1334 1.00000
66 -14.0049 1.00000
67 -14.0049 1.00000
68 -13.9027 1.00000
69 -13.8602 1.00000
70 -13.8138 1.00000
71 -13.8138 1.00000
72 -13.6767 1.00000
73 -13.5859 1.00000
74 -13.4804 1.00000
75 -13.4804 1.00000
76 -13.4299 1.00000
77 -13.3728 1.00000
78 -13.3447 1.00000
79 -13.3087 1.00000
80 -13.3087 1.00000
81 -13.2872 1.00000
82 -13.2872 1.00000
83 -13.2784 1.00000
84 -13.2663 1.00000
85 -13.2384 1.00000
86 -13.2384 1.00000
87 -13.2209 1.00000
88 -13.1734 1.00000
89 -13.1580 1.00000
90 -13.1130 1.00000
91 -13.1130 1.00000
92 -13.0842 1.00000
93 -13.0532 1.00000
94 -13.0278 1.00000
95 -13.0278 1.00000
96 -13.0033 1.00000
97 -1.5601 1.00000
98 -1.5208 1.00000
99 -1.4984 1.00000
100 -1.4984 1.00000
101 -1.4927 1.00000
102 -1.4927 1.00000
103 -1.4198 1.00000
104 -1.3515 1.00000
105 -1.3249 1.00000
106 -1.3075 1.00000
107 -1.2402 1.00000
108 -1.2402 1.00000
109 -1.2137 1.00000
110 -1.1782 1.00000
111 -1.1782 1.00000
112 -1.1315 1.00000
113 -0.8594 1.00000
114 -0.8259 1.00000
115 -0.8259 1.00000
116 -0.8054 1.00000
117 -0.4624 1.00000
118 -0.4624 1.00000
119 -0.4415 1.00000
120 -0.4263 1.00000
121 -0.4121 1.00000
122 -0.3162 1.00000
123 -0.3162 1.00000
124 -0.3080 1.00000
125 -0.2923 1.00000
126 -0.2773 1.00000
127 -0.2773 1.00000
128 -0.2060 1.00000
129 -0.1755 1.00000
130 0.0474 1.00000
131 0.0474 1.00000
132 0.0568 1.00000
133 0.1393 1.00000
134 0.1393 1.00000
135 0.1829 1.00000
136 0.2342 1.00000
137 0.2482 1.00000
138 0.3057 1.00000
139 0.3057 1.00000
140 0.3422 1.00000
141 0.3663 1.00000
142 0.4198 1.00000
143 0.4198 1.00000
144 0.4779 1.00000
145 0.4838 1.00000
146 0.5766 1.00000
147 0.5876 1.00000
148 0.5876 1.00000
149 0.6866 1.00000
150 0.7743 1.00000
151 0.7743 1.00000
152 0.7744 1.00000
153 0.9099 1.00000
154 0.9745 1.00000
155 0.9745 1.00000
156 1.0306 1.00000
157 1.0606 1.00000
158 1.0695 1.00000
159 1.0695 1.00000
160 1.2268 1.00000
161 1.2349 1.00000
162 1.2854 1.00000
163 1.2854 1.00000
164 1.3743 1.00000
165 1.4535 1.00000
166 1.5772 1.00000
167 1.5772 1.00000
168 1.7619 1.00000
169 1.9050 1.00000
170 1.9133 1.00000
171 1.9867 1.00000
172 1.9867 1.00000
173 2.0048 1.00000
174 2.0048 1.00000
175 2.1069 1.00000
176 2.1849 1.00000
177 2.2364 1.00000
178 2.2603 1.00000
179 2.3351 1.00000
180 2.3351 1.00000
181 2.3362 1.00000
182 2.3377 1.00000
183 2.3377 1.00000
184 2.4520 1.00000
185 2.5919 1.00000
186 2.6525 1.00000
187 2.6525 1.00000
188 2.6938 1.00000
189 2.6938 1.00000
190 2.7210 1.00000
191 2.7543 1.00000
192 2.7551 1.00000
193 5.6960 0.00000
194 5.7219 0.00000
195 5.7219 0.00000
196 5.7383 0.00000
197 5.7487 0.00000
198 5.7706 0.00000
199 5.7705 0.00000
200 5.8065 0.00000
201 5.8901 0.00000
202 5.9156 0.00000
203 5.9156 0.00000
204 5.9182 0.00000
205 5.9468 0.00000
206 5.9467 0.00000
207 5.9468 0.00000
208 6.0105 0.00000
209 6.0882 0.00000
210 6.1377 0.00000
211 6.1601 0.00000
212 6.1691 0.00000
213 6.1691 0.00000
214 6.2213 0.00000
215 6.2226 0.00000
216 6.2225 0.00000
217 6.2709 0.00000
218 6.2873 0.00000
219 6.2872 0.00000
220 6.2954 0.00000
221 6.3229 0.00000
222 6.3442 0.00000
223 6.3439 0.00000
224 6.3645 0.00000
225 6.4324 0.00000
226 6.5267 0.00000
227 6.5794 0.00000
228 6.5793 0.00000
229 6.6072 0.00000
230 6.6994 0.00000
231 6.6993 0.00000
232 6.7861 0.00000
233 6.7860 0.00000
234 6.8006 0.00000
235 6.8009 0.00000
236 6.8976 0.00000
237 6.9393 0.00000
238 6.9520 0.00000
239 6.9520 0.00000
240 7.0902 0.00000
241 8.1130 0.00000
242 8.1431 0.00000
243 8.2103 0.00000
244 8.2120 0.00000
245 8.2484 0.00000
246 8.2491 0.00000
247 8.3338 0.00000
248 8.3843 0.00000
249 8.6124 0.00000
250 8.7363 0.00000
251 8.7561 0.00000
252 8.8449 0.00000
253 9.0379 0.00000
254 9.1457 0.00000
255 9.2495 0.00000
256 9.3706 0.00000
k-point 13 : 0.0833 0.0833 0.4167
band No. band energies occupation
1 -53.6346 1.00000
2 -53.6305 1.00000
3 -53.6267 1.00000
4 -53.6267 1.00000
5 -53.6259 1.00000
6 -53.6259 1.00000
7 -53.6155 1.00000
8 -53.6150 1.00000
9 -53.6114 1.00000
10 -53.6108 1.00000
11 -53.6039 1.00000
12 -53.6039 1.00000
13 -53.6031 1.00000
14 -53.6031 1.00000
15 -53.6029 1.00000
16 -53.5987 1.00000
17 -30.0089 1.00000
18 -30.0089 1.00000
19 -30.0051 1.00000
20 -30.0051 1.00000
21 -30.0023 1.00000
22 -30.0017 1.00000
23 -30.0002 1.00000
24 -29.9903 1.00000
25 -29.9884 1.00000
26 -29.9735 1.00000
27 -29.9400 1.00000
28 -29.9400 1.00000
29 -29.9387 1.00000
30 -29.9387 1.00000
31 -29.8779 1.00000
32 -29.8778 1.00000
33 -29.8697 1.00000
34 -29.8695 1.00000
35 -29.8513 1.00000
36 -29.8483 1.00000
37 -29.8462 1.00000
38 -29.8438 1.00000
39 -29.8434 1.00000
40 -29.8434 1.00000
41 -29.8428 1.00000
42 -29.8428 1.00000
43 -29.8124 1.00000
44 -29.8124 1.00000
45 -29.8124 1.00000
46 -29.8124 1.00000
47 -29.7815 1.00000
48 -29.7730 1.00000
49 -29.7708 1.00000
50 -29.7674 1.00000
51 -29.7674 1.00000
52 -29.7667 1.00000
53 -29.7667 1.00000
54 -29.7662 1.00000
55 -29.7644 1.00000
56 -29.7499 1.00000
57 -29.7487 1.00000
58 -29.7485 1.00000
59 -29.7417 1.00000
60 -29.7401 1.00000
61 -29.7395 1.00000
62 -29.7395 1.00000
63 -29.7369 1.00000
64 -29.7369 1.00000
65 -14.3984 1.00000
66 -14.3041 1.00000
67 -14.0207 1.00000
68 -14.0207 1.00000
69 -14.0077 1.00000
70 -14.0077 1.00000
71 -13.6965 1.00000
72 -13.6100 1.00000
73 -13.4730 1.00000
74 -13.4466 1.00000
75 -13.3400 1.00000
76 -13.3352 1.00000
77 -13.3352 1.00000
78 -13.3326 1.00000
79 -13.3326 1.00000
80 -13.3257 1.00000
81 -13.2411 1.00000
82 -13.2272 1.00000
83 -13.2074 1.00000
84 -13.1980 1.00000
85 -13.1980 1.00000
86 -13.1841 1.00000
87 -13.1841 1.00000
88 -13.1627 1.00000
89 -13.0868 1.00000
90 -13.0868 1.00000
91 -13.0835 1.00000
92 -13.0835 1.00000
93 -13.0195 1.00000
94 -13.0144 1.00000
95 -12.9870 1.00000
96 -12.9811 1.00000
97 -1.4260 1.00000
98 -1.4260 1.00000
99 -1.3929 1.00000
100 -1.3929 1.00000
101 -1.3827 1.00000
102 -1.3605 1.00000
103 -1.3319 1.00000
104 -1.2945 1.00000
105 -1.0535 1.00000
106 -1.0535 1.00000
107 -1.0280 1.00000
108 -1.0144 1.00000
109 -1.0055 1.00000
110 -1.0055 1.00000
111 -0.9933 1.00000
112 -0.9430 1.00000
113 -0.7845 1.00000
114 -0.7762 1.00000
115 -0.7576 1.00000
116 -0.7435 1.00000
117 -0.7054 1.00000
118 -0.6814 1.00000
119 -0.6814 1.00000
120 -0.6776 1.00000
121 -0.6776 1.00000
122 -0.6535 1.00000
123 -0.6462 1.00000
124 -0.6355 1.00000
125 -0.5946 1.00000
126 -0.5943 1.00000
127 -0.5943 1.00000
128 -0.5831 1.00000
129 -0.5696 1.00000
130 -0.5696 1.00000
131 -0.5478 1.00000
132 -0.5038 1.00000
133 -0.2844 1.00000
134 -0.2844 1.00000
135 -0.2756 1.00000
136 -0.2756 1.00000
137 0.0258 1.00000
138 0.0515 1.00000
139 0.2105 1.00000
140 0.2343 1.00000
141 0.7472 1.00000
142 0.7472 1.00000
143 0.8549 1.00000
144 0.8549 1.00000
145 0.8964 1.00000
146 0.8964 1.00000
147 0.9511 1.00000
148 0.9511 1.00000
149 0.9627 1.00000
150 0.9650 1.00000
151 1.0152 1.00000
152 1.0152 1.00000
153 1.0197 1.00000
154 1.0223 1.00000
155 1.0827 1.00000
156 1.0827 1.00000
157 1.2386 1.00000
158 1.2569 1.00000
159 1.2724 1.00000
160 1.2724 1.00000
161 1.3169 1.00000
162 1.3343 1.00000
163 1.3343 1.00000
164 1.4724 1.00000
165 1.5187 1.00000
166 1.5432 1.00000
167 1.7514 1.00000
168 1.7745 1.00000
169 1.8578 1.00000
170 1.8770 1.00000
171 1.9064 1.00000
172 1.9973 1.00000
173 1.9973 1.00000
174 2.0004 1.00000
175 2.0004 1.00000
176 2.0246 1.00000
177 2.1293 1.00000
178 2.1293 1.00000
179 2.1300 1.00000
180 2.1300 1.00000
181 2.3089 1.00000
182 2.3089 1.00000
183 2.3105 1.00000
184 2.3105 1.00000
185 2.6076 1.00000
186 2.6652 1.00000
187 2.6797 1.00000
188 2.6826 1.00000
189 2.6942 1.00000
190 2.7191 1.00000
191 2.7787 1.00000
192 2.7838 1.00000
193 5.1019 0.00000
194 5.1520 0.00000
195 5.5042 0.00000
196 5.5595 0.00000
197 5.9732 0.00000
198 5.9732 0.00000
199 5.9764 0.00000
200 5.9764 0.00000
201 6.1506 0.00000
202 6.1694 0.00000
203 6.1783 0.00000
204 6.1782 0.00000
205 6.1810 0.00000
206 6.1810 0.00000
207 6.2292 0.00000
208 6.2548 0.00000
209 6.2782 0.00000
210 6.2811 0.00000
211 6.3212 0.00000
212 6.3211 0.00000
213 6.3228 0.00000
214 6.3227 0.00000
215 6.3469 0.00000
216 6.3469 0.00000
217 6.3551 0.00000
218 6.3562 0.00000
219 6.3561 0.00000
220 6.3597 0.00000
221 6.4677 0.00000
222 6.4778 0.00000
223 6.5032 0.00000
224 6.5179 0.00000
225 6.8052 0.00000
226 6.8050 0.00000
227 6.8376 0.00000
228 6.8391 0.00000
229 6.9231 0.00000
230 6.9230 0.00000
231 6.9382 0.00000
232 6.9379 0.00000
233 7.1186 0.00000
234 7.1184 0.00000
235 7.1242 0.00000
236 7.1240 0.00000
237 7.4873 0.00000
238 7.4938 0.00000
239 7.5038 0.00000
240 7.5106 0.00000
241 7.5118 0.00000
242 7.5516 0.00000
243 7.8441 0.00000
244 7.9102 0.00000
245 7.9618 0.00000
246 7.9622 0.00000
247 7.9688 0.00000
248 7.9688 0.00000
249 8.0125 0.00000
250 8.1070 0.00000
251 8.6802 0.00000
252 8.6973 0.00000
253 8.7873 0.00000
254 8.9076 0.00000
255 8.9663 0.00000
256 9.0200 0.00000
k-point 14 : 0.2500 0.0833 0.4167
band No. band energies occupation
1 -53.6338 1.00000
2 -53.6298 1.00000
3 -53.6283 1.00000
4 -53.6262 1.00000
5 -53.6257 1.00000
6 -53.6249 1.00000
7 -53.6184 1.00000
8 -53.6176 1.00000
9 -53.6092 1.00000
10 -53.6084 1.00000
11 -53.6044 1.00000
12 -53.6041 1.00000
13 -53.6036 1.00000
14 -53.6031 1.00000
15 -53.6020 1.00000
16 -53.5990 1.00000
17 -30.0089 1.00000
18 -30.0086 1.00000
19 -30.0059 1.00000
20 -30.0049 1.00000
21 -30.0029 1.00000
22 -30.0024 1.00000
23 -29.9978 1.00000
24 -29.9787 1.00000
25 -29.9763 1.00000
26 -29.9760 1.00000
27 -29.9434 1.00000
28 -29.9419 1.00000
29 -29.9308 1.00000
30 -29.9270 1.00000
31 -29.8785 1.00000
32 -29.8784 1.00000
33 -29.8664 1.00000
34 -29.8604 1.00000
35 -29.8602 1.00000
36 -29.8601 1.00000
37 -29.8526 1.00000
38 -29.8521 1.00000
39 -29.8481 1.00000
40 -29.8444 1.00000
41 -29.8439 1.00000
42 -29.8426 1.00000
43 -29.8195 1.00000
44 -29.8194 1.00000
45 -29.8091 1.00000
46 -29.8089 1.00000
47 -29.7860 1.00000
48 -29.7804 1.00000
49 -29.7706 1.00000
50 -29.7682 1.00000
51 -29.7668 1.00000
52 -29.7663 1.00000
53 -29.7662 1.00000
54 -29.7658 1.00000
55 -29.7591 1.00000
56 -29.7555 1.00000
57 -29.7538 1.00000
58 -29.7432 1.00000
59 -29.7428 1.00000
60 -29.7380 1.00000
61 -29.7373 1.00000
62 -29.7357 1.00000
63 -29.7352 1.00000
64 -29.7347 1.00000
65 -14.3429 1.00000
66 -14.2516 1.00000
67 -14.0683 1.00000
68 -14.0290 1.00000
69 -13.9436 1.00000
70 -13.9303 1.00000
71 -13.6572 1.00000
72 -13.5734 1.00000
73 -13.4612 1.00000
74 -13.4491 1.00000
75 -13.4439 1.00000
76 -13.4236 1.00000
77 -13.3512 1.00000
78 -13.3465 1.00000
79 -13.3163 1.00000
80 -13.2949 1.00000
81 -13.2923 1.00000
82 -13.2838 1.00000
83 -13.2261 1.00000
84 -13.2105 1.00000
85 -13.1893 1.00000
86 -13.1858 1.00000
87 -13.1722 1.00000
88 -13.1465 1.00000
89 -13.0802 1.00000
90 -13.0771 1.00000
91 -13.0763 1.00000
92 -13.0609 1.00000
93 -13.0528 1.00000
94 -13.0455 1.00000
95 -12.9998 1.00000
96 -12.9899 1.00000
97 -1.5536 1.00000
98 -1.5257 1.00000
99 -1.5127 1.00000
100 -1.5044 1.00000
101 -1.4214 1.00000
102 -1.3928 1.00000
103 -1.3499 1.00000
104 -1.3177 1.00000
105 -1.0504 1.00000
106 -1.0206 1.00000
107 -1.0157 1.00000
108 -1.0072 1.00000
109 -1.0027 1.00000
110 -0.9855 1.00000
111 -0.9099 1.00000
112 -0.8989 1.00000
113 -0.7567 1.00000
114 -0.7438 1.00000
115 -0.7112 1.00000
116 -0.7018 1.00000
117 -0.7000 1.00000
118 -0.6914 1.00000
119 -0.6863 1.00000
120 -0.6218 1.00000
121 -0.6173 1.00000
122 -0.5971 1.00000
123 -0.5961 1.00000
124 -0.5821 1.00000
125 -0.5696 1.00000
126 -0.5494 1.00000
127 -0.5391 1.00000
128 -0.5238 1.00000
129 -0.5018 1.00000
130 -0.4675 1.00000
131 -0.3144 1.00000
132 -0.3125 1.00000
133 -0.3063 1.00000
134 -0.2963 1.00000
135 -0.2158 1.00000
136 -0.1916 1.00000
137 -0.0764 1.00000
138 -0.0352 1.00000
139 0.3017 1.00000
140 0.3331 1.00000
141 0.4939 1.00000
142 0.5623 1.00000
143 0.6577 1.00000
144 0.7458 1.00000
145 0.7467 1.00000
146 0.8030 1.00000
147 0.8189 1.00000
148 0.8406 1.00000
149 0.8913 1.00000
150 0.9964 1.00000
151 1.0041 1.00000
152 1.0079 1.00000
153 1.0182 1.00000
154 1.0415 1.00000
155 1.1497 1.00000
156 1.1662 1.00000
157 1.1691 1.00000
158 1.2634 1.00000
159 1.3224 1.00000
160 1.3709 1.00000
161 1.4349 1.00000
162 1.5128 1.00000
163 1.5277 1.00000
164 1.5987 1.00000
165 1.6140 1.00000
166 1.6414 1.00000
167 1.6787 1.00000
168 1.6907 1.00000
169 1.7396 1.00000
170 1.7516 1.00000
171 1.7863 1.00000
172 1.8338 1.00000
173 2.0176 1.00000
174 2.0303 1.00000
175 2.0965 1.00000
176 2.1665 1.00000
177 2.1748 1.00000
178 2.1801 1.00000
179 2.3242 1.00000
180 2.3302 1.00000
181 2.3599 1.00000
182 2.3607 1.00000
183 2.3777 1.00000
184 2.3818 1.00000
185 2.4048 1.00000
186 2.4834 1.00000
187 2.5686 1.00000
188 2.5769 1.00000
189 2.5888 1.00000
190 2.5946 1.00000
191 2.7828 1.00000
192 2.7840 1.00000
193 5.3388 0.00000
194 5.3574 0.00000
195 5.6266 0.00000
196 5.6485 0.00000
197 5.8746 0.00000
198 5.8907 0.00000
199 5.9181 0.00000
200 5.9308 0.00000
201 5.9855 0.00000
202 6.0001 0.00000
203 6.0481 0.00000
204 6.0631 0.00000
205 6.1303 0.00000
206 6.1343 0.00000
207 6.1633 0.00000
208 6.1633 0.00000
209 6.2734 0.00000
210 6.2750 0.00000
211 6.2844 0.00000
212 6.2953 0.00000
213 6.2951 0.00000
214 6.2977 0.00000
215 6.3324 0.00000
216 6.3368 0.00000
217 6.3404 0.00000
218 6.3548 0.00000
219 6.3641 0.00000
220 6.3720 0.00000
221 6.4201 0.00000
222 6.4228 0.00000
223 6.4355 0.00000
224 6.4554 0.00000
225 6.5110 0.00000
226 6.5435 0.00000
227 6.7170 0.00000
228 6.7362 0.00000
229 6.8532 0.00000
230 6.8861 0.00000
231 6.9183 0.00000
232 6.9451 0.00000
233 7.0389 0.00000
234 7.0631 0.00000
235 7.1081 0.00000
236 7.1106 0.00000
237 7.3698 0.00000
238 7.3781 0.00000
239 7.4105 0.00000
240 7.4230 0.00000
241 7.6369 0.00000
242 7.6743 0.00000
243 7.8896 0.00000
244 7.9083 0.00000
245 8.1511 0.00000
246 8.1777 0.00000
247 8.1793 0.00000
248 8.1934 0.00000
249 8.2545 0.00000
250 8.3189 0.00000
251 8.6502 0.00000
252 8.6995 0.00000
253 8.7614 0.00000
254 8.8279 0.00000
255 8.9548 0.00000
256 9.0508 0.00000
k-point 15 : 0.4167 0.0833 0.4167
band No. band energies occupation
1 -53.6322 1.00000
2 -53.6303 1.00000
3 -53.6286 1.00000
4 -53.6272 1.00000
5 -53.6238 1.00000
6 -53.6231 1.00000
7 -53.6213 1.00000
8 -53.6205 1.00000
9 -53.6071 1.00000
10 -53.6063 1.00000
11 -53.6055 1.00000
12 -53.6047 1.00000
13 -53.6039 1.00000
14 -53.6035 1.00000
15 -53.6008 1.00000
16 -53.5998 1.00000
17 -30.0081 1.00000
18 -30.0075 1.00000
19 -30.0066 1.00000
20 -30.0045 1.00000
21 -30.0041 1.00000
22 -30.0041 1.00000
23 -29.9889 1.00000
24 -29.9811 1.00000
25 -29.9639 1.00000
26 -29.9618 1.00000
27 -29.9512 1.00000
28 -29.9494 1.00000
29 -29.9126 1.00000
30 -29.9070 1.00000
31 -29.8894 1.00000
32 -29.8829 1.00000
33 -29.8745 1.00000
34 -29.8745 1.00000
35 -29.8651 1.00000
36 -29.8648 1.00000
37 -29.8471 1.00000
38 -29.8470 1.00000
39 -29.8467 1.00000
40 -29.8457 1.00000
41 -29.8434 1.00000
42 -29.8429 1.00000
43 -29.8321 1.00000
44 -29.8319 1.00000
45 -29.8027 1.00000
46 -29.8014 1.00000
47 -29.7942 1.00000
48 -29.7911 1.00000
49 -29.7700 1.00000
50 -29.7691 1.00000
51 -29.7661 1.00000
52 -29.7661 1.00000
53 -29.7646 1.00000
54 -29.7633 1.00000
55 -29.7607 1.00000
56 -29.7592 1.00000
57 -29.7523 1.00000
58 -29.7468 1.00000
59 -29.7379 1.00000
60 -29.7355 1.00000
61 -29.7353 1.00000
62 -29.7352 1.00000
63 -29.7330 1.00000
64 -29.7328 1.00000
65 -14.2498 1.00000
66 -14.1675 1.00000
67 -14.1490 1.00000
68 -14.0848 1.00000
69 -13.8040 1.00000
70 -13.7898 1.00000
71 -13.6301 1.00000
72 -13.6145 1.00000
73 -13.5791 1.00000
74 -13.5043 1.00000
75 -13.4638 1.00000
76 -13.4101 1.00000
77 -13.4095 1.00000
78 -13.3888 1.00000
79 -13.3685 1.00000
80 -13.3574 1.00000
81 -13.2456 1.00000
82 -13.2433 1.00000
83 -13.2260 1.00000
84 -13.2155 1.00000
85 -13.1528 1.00000
86 -13.1469 1.00000
87 -13.1397 1.00000
88 -13.1153 1.00000
89 -13.1069 1.00000
90 -13.0907 1.00000
91 -13.0859 1.00000
92 -13.0788 1.00000
93 -13.0662 1.00000
94 -13.0602 1.00000
95 -13.0391 1.00000
96 -13.0281 1.00000
97 -1.4975 1.00000
98 -1.4849 1.00000
99 -1.4771 1.00000
100 -1.4753 1.00000
101 -1.4203 1.00000
102 -1.4071 1.00000
103 -1.3457 1.00000
104 -1.3043 1.00000
105 -1.2899 1.00000
106 -1.2770 1.00000
107 -1.2092 1.00000
108 -1.1835 1.00000
109 -1.0372 1.00000
110 -1.0301 1.00000
111 -0.9818 1.00000
112 -0.9814 1.00000
113 -0.7400 1.00000
114 -0.7263 1.00000
115 -0.7188 1.00000
116 -0.7059 1.00000
117 -0.6899 1.00000
118 -0.6750 1.00000
119 -0.6076 1.00000
120 -0.5916 1.00000
121 -0.5733 1.00000
122 -0.5698 1.00000
123 -0.5405 1.00000
124 -0.5203 1.00000
125 -0.4682 1.00000
126 -0.4559 1.00000
127 -0.4477 1.00000
128 -0.4430 1.00000
129 -0.4413 1.00000
130 -0.3958 1.00000
131 -0.3822 1.00000
132 -0.3401 1.00000
133 -0.0616 1.00000
134 -0.0132 1.00000
135 0.1747 1.00000
136 0.2047 1.00000
137 0.2174 1.00000
138 0.2297 1.00000
139 0.3232 1.00000
140 0.3284 1.00000
141 0.4079 1.00000
142 0.4373 1.00000
143 0.5461 1.00000
144 0.5657 1.00000
145 0.6184 1.00000
146 0.6356 1.00000
147 0.7108 1.00000
148 0.8210 1.00000
149 0.9173 1.00000
150 0.9285 1.00000
151 0.9301 1.00000
152 0.9329 1.00000
153 0.9405 1.00000
154 1.0900 1.00000
155 1.1005 1.00000
156 1.1020 1.00000
157 1.1106 1.00000
158 1.1540 1.00000
159 1.1692 1.00000
160 1.2585 1.00000
161 1.3279 1.00000
162 1.3848 1.00000
163 1.4687 1.00000
164 1.4986 1.00000
165 1.5119 1.00000
166 1.5393 1.00000
167 1.6442 1.00000
168 1.7096 1.00000
169 1.9517 1.00000
170 1.9522 1.00000
171 1.9823 1.00000
172 2.0137 1.00000
173 2.0714 1.00000
174 2.1053 1.00000
175 2.1921 1.00000
176 2.2496 1.00000
177 2.2560 1.00000
178 2.2723 1.00000
179 2.2848 1.00000
180 2.3029 1.00000
181 2.3690 1.00000
182 2.3709 1.00000
183 2.4039 1.00000
184 2.4169 1.00000
185 2.4258 1.00000
186 2.4350 1.00000
187 2.4386 1.00000
188 2.4737 1.00000
189 2.5738 1.00000
190 2.5796 1.00000
191 2.7203 1.00000
192 2.7241 1.00000
193 5.5669 0.00000
194 5.6002 0.00000
195 5.7319 0.00000
196 5.7638 0.00000
197 5.8527 0.00000
198 5.8627 0.00000
199 5.8795 0.00000
200 5.9094 0.00000
201 5.9102 0.00000
202 5.9183 0.00000
203 5.9531 0.00000
204 5.9569 0.00000
205 6.0371 0.00000
206 6.0402 0.00000
207 6.0457 0.00000
208 6.0528 0.00000
209 6.1005 0.00000
210 6.1285 0.00000
211 6.1970 0.00000
212 6.2123 0.00000
213 6.2686 0.00000
214 6.2985 0.00000
215 6.2999 0.00000
216 6.3008 0.00000
217 6.3052 0.00000
218 6.3230 0.00000
219 6.3284 0.00000
220 6.3379 0.00000
221 6.3783 0.00000
222 6.3852 0.00000
223 6.4093 0.00000
224 6.4109 0.00000
225 6.4672 0.00000
226 6.4987 0.00000
227 6.5151 0.00000
228 6.5280 0.00000
229 6.9349 0.00000
230 6.9623 0.00000
231 7.0144 0.00000
232 7.0329 0.00000
233 7.0350 0.00000
234 7.0485 0.00000
235 7.1008 0.00000
236 7.1253 0.00000
237 7.1885 0.00000
238 7.1999 0.00000
239 7.2558 0.00000
240 7.2727 0.00000
241 7.7148 0.00000
242 7.7469 0.00000
243 7.7967 0.00000
244 7.8226 0.00000
245 8.3842 0.00000
246 8.4079 0.00000
247 8.4310 0.00000
248 8.4701 0.00000
249 8.4881 0.00000
250 8.5447 0.00000
251 8.5551 0.00000
252 8.5653 0.00000
253 8.5982 0.00000
254 8.6146 0.00000
255 8.7264 0.00000
256 9.0566 0.00000
k-point 16 : 0.2500 0.2500 0.4167
band No. band energies occupation
1 -53.6329 1.00000
2 -53.6290 1.00000
3 -53.6273 1.00000
4 -53.6273 1.00000
5 -53.6252 1.00000
6 -53.6252 1.00000
7 -53.6206 1.00000
8 -53.6189 1.00000
9 -53.6083 1.00000
10 -53.6067 1.00000
11 -53.6046 1.00000
12 -53.6046 1.00000
13 -53.6033 1.00000
14 -53.6025 1.00000
15 -53.6025 1.00000
16 -53.5994 1.00000
17 -30.0087 1.00000
18 -30.0087 1.00000
19 -30.0080 1.00000
20 -30.0030 1.00000
21 -30.0008 1.00000
22 -29.9979 1.00000
23 -29.9979 1.00000
24 -29.9781 1.00000
25 -29.9705 1.00000
26 -29.9655 1.00000
27 -29.9345 1.00000
28 -29.9345 1.00000
29 -29.9302 1.00000
30 -29.9302 1.00000
31 -29.8776 1.00000
32 -29.8775 1.00000
33 -29.8753 1.00000
34 -29.8680 1.00000
35 -29.8536 1.00000
36 -29.8534 1.00000
37 -29.8534 1.00000
38 -29.8531 1.00000
39 -29.8529 1.00000
40 -29.8519 1.00000
41 -29.8519 1.00000
42 -29.8498 1.00000
43 -29.8159 1.00000
44 -29.8159 1.00000
45 -29.8153 1.00000
46 -29.8153 1.00000
47 -29.7911 1.00000
48 -29.7864 1.00000
49 -29.7713 1.00000
50 -29.7682 1.00000
51 -29.7682 1.00000
52 -29.7665 1.00000
53 -29.7655 1.00000
54 -29.7655 1.00000
55 -29.7596 1.00000
56 -29.7559 1.00000
57 -29.7541 1.00000
58 -29.7402 1.00000
59 -29.7402 1.00000
60 -29.7388 1.00000
61 -29.7376 1.00000
62 -29.7327 1.00000
63 -29.7327 1.00000
64 -29.7324 1.00000
65 -14.2846 1.00000
66 -14.1953 1.00000
67 -13.9936 1.00000
68 -13.9936 1.00000
69 -13.9532 1.00000
70 -13.9532 1.00000
71 -13.6215 1.00000
72 -13.5509 1.00000
73 -13.5390 1.00000
74 -13.5099 1.00000
75 -13.4234 1.00000
76 -13.3978 1.00000
77 -13.3114 1.00000
78 -13.3114 1.00000
79 -13.3100 1.00000
80 -13.3100 1.00000
81 -13.2985 1.00000
82 -13.2985 1.00000
83 -13.2723 1.00000
84 -13.2723 1.00000
85 -13.2624 1.00000
86 -13.2256 1.00000
87 -13.1738 1.00000
88 -13.1320 1.00000
89 -13.0981 1.00000
90 -13.0867 1.00000
91 -13.0697 1.00000
92 -13.0697 1.00000
93 -13.0527 1.00000
94 -13.0527 1.00000
95 -13.0030 1.00000
96 -12.9853 1.00000
97 -1.5738 1.00000
98 -1.5576 1.00000
99 -1.5497 1.00000
100 -1.5497 1.00000
101 -1.5264 1.00000
102 -1.5264 1.00000
103 -1.4445 1.00000
104 -1.4037 1.00000
105 -1.0527 1.00000
106 -1.0506 1.00000
107 -0.9296 1.00000
108 -0.9296 1.00000
109 -0.9287 1.00000
110 -0.9256 1.00000
111 -0.9256 1.00000
112 -0.9206 1.00000
113 -0.7901 1.00000
114 -0.7046 1.00000
115 -0.7046 1.00000
116 -0.6955 1.00000
117 -0.6340 1.00000
118 -0.5995 1.00000
119 -0.5982 1.00000
120 -0.5792 1.00000
121 -0.5792 1.00000
122 -0.5620 1.00000
123 -0.5429 1.00000
124 -0.5429 1.00000
125 -0.5246 1.00000
126 -0.5246 1.00000
127 -0.4627 1.00000
128 -0.4351 1.00000
129 -0.3173 1.00000
130 -0.3080 1.00000
131 -0.2896 1.00000
132 -0.2590 1.00000
133 -0.2227 1.00000
134 -0.2227 1.00000
135 -0.1927 1.00000
136 -0.1927 1.00000
137 -0.1496 1.00000
138 -0.0321 1.00000
139 0.3108 1.00000
140 0.3755 1.00000
141 0.3946 1.00000
142 0.3946 1.00000
143 0.5044 1.00000
144 0.5044 1.00000
145 0.6413 1.00000
146 0.6664 1.00000
147 0.8049 1.00000
148 0.8049 1.00000
149 0.8772 1.00000
150 0.8772 1.00000
151 0.9977 1.00000
152 1.0408 1.00000
153 1.1604 1.00000
154 1.1604 1.00000
155 1.1888 1.00000
156 1.1888 1.00000
157 1.1902 1.00000
158 1.2267 1.00000
159 1.4348 1.00000
160 1.4419 1.00000
161 1.5453 1.00000
162 1.5453 1.00000
163 1.5504 1.00000
164 1.5656 1.00000
165 1.6260 1.00000
166 1.6260 1.00000
167 1.6399 1.00000
168 1.6506 1.00000
169 1.7627 1.00000
170 1.7627 1.00000
171 1.7740 1.00000
172 1.7740 1.00000
173 1.8521 1.00000
174 1.9375 1.00000
175 2.1741 1.00000
176 2.1844 1.00000
177 2.2319 1.00000
178 2.2730 1.00000
179 2.3073 1.00000
180 2.3073 1.00000
181 2.3150 1.00000
182 2.3150 1.00000
183 2.4603 1.00000
184 2.4603 1.00000
185 2.4627 1.00000
186 2.4627 1.00000
187 2.4710 1.00000
188 2.5209 1.00000
189 2.5710 1.00000
190 2.6110 1.00000
191 2.7776 1.00000
192 2.7826 1.00000
193 5.5425 0.00000
194 5.5515 0.00000
195 5.6603 0.00000
196 5.6733 0.00000
197 5.8433 0.00000
198 5.8433 0.00000
199 5.8518 0.00000
200 5.8517 0.00000
201 5.9691 0.00000
202 5.9903 0.00000
203 5.9914 0.00000
204 5.9913 0.00000
205 6.0036 0.00000
206 6.0036 0.00000
207 6.1239 0.00000
208 6.1664 0.00000
209 6.1900 0.00000
210 6.1991 0.00000
211 6.2148 0.00000
212 6.2701 0.00000
213 6.2701 0.00000
214 6.2723 0.00000
215 6.2785 0.00000
216 6.2784 0.00000
217 6.3392 0.00000
218 6.3451 0.00000
219 6.3513 0.00000
220 6.3756 0.00000
221 6.3829 0.00000
222 6.3827 0.00000
223 6.3971 0.00000
224 6.3970 0.00000
225 6.5486 0.00000
226 6.5563 0.00000
227 6.6031 0.00000
228 6.6359 0.00000
229 6.7265 0.00000
230 6.7263 0.00000
231 6.7665 0.00000
232 6.7665 0.00000
233 6.9792 0.00000
234 6.9790 0.00000
235 7.0126 0.00000
236 7.0125 0.00000
237 7.2470 0.00000
238 7.2655 0.00000
239 7.3063 0.00000
240 7.3363 0.00000
241 7.8254 0.00000
242 7.8402 0.00000
243 8.1072 0.00000
244 8.1076 0.00000
245 8.1090 0.00000
246 8.1102 0.00000
247 8.3419 0.00000
248 8.4190 0.00000
249 8.5287 0.00000
250 8.5867 0.00000
251 8.5995 0.00000
252 8.6330 0.00000
253 8.9017 0.00000
254 9.0109 0.00000
255 9.0234 0.00000
256 9.1232 0.00000
k-point 17 : 0.4167 0.2500 0.4167
band No. band energies occupation
1 -53.6314 1.00000
2 -53.6294 1.00000
3 -53.6278 1.00000
4 -53.6263 1.00000
5 -53.6255 1.00000
6 -53.6235 1.00000
7 -53.6231 1.00000
8 -53.6212 1.00000
9 -53.6068 1.00000
10 -53.6055 1.00000
11 -53.6049 1.00000
12 -53.6043 1.00000
13 -53.6038 1.00000
14 -53.6035 1.00000
15 -53.6012 1.00000
16 -53.6002 1.00000
17 -30.0086 1.00000
18 -30.0085 1.00000
19 -30.0067 1.00000
20 -30.0045 1.00000
21 -29.9994 1.00000
22 -29.9984 1.00000
23 -29.9897 1.00000
24 -29.9827 1.00000
25 -29.9565 1.00000
26 -29.9509 1.00000
27 -29.9431 1.00000
28 -29.9381 1.00000
29 -29.9169 1.00000
30 -29.9107 1.00000
31 -29.8950 1.00000
32 -29.8876 1.00000
33 -29.8737 1.00000
34 -29.8735 1.00000
35 -29.8652 1.00000
36 -29.8644 1.00000
37 -29.8546 1.00000
38 -29.8542 1.00000
39 -29.8520 1.00000
40 -29.8519 1.00000
41 -29.8419 1.00000
42 -29.8409 1.00000
43 -29.8280 1.00000
44 -29.8271 1.00000
45 -29.8091 1.00000
46 -29.8073 1.00000
47 -29.7999 1.00000
48 -29.7967 1.00000
49 -29.7708 1.00000
50 -29.7696 1.00000
51 -29.7668 1.00000
52 -29.7663 1.00000
53 -29.7658 1.00000
54 -29.7637 1.00000
55 -29.7634 1.00000
56 -29.7599 1.00000
57 -29.7482 1.00000
58 -29.7436 1.00000
59 -29.7376 1.00000
60 -29.7368 1.00000
61 -29.7345 1.00000
62 -29.7324 1.00000
63 -29.7305 1.00000
64 -29.7303 1.00000
65 -14.1863 1.00000
66 -14.1042 1.00000
67 -14.0792 1.00000
68 -14.0138 1.00000
69 -13.8597 1.00000
70 -13.8172 1.00000
71 -13.6976 1.00000
72 -13.6527 1.00000
73 -13.5504 1.00000
74 -13.4748 1.00000
75 -13.4427 1.00000
76 -13.3831 1.00000
77 -13.3811 1.00000
78 -13.3582 1.00000
79 -13.3392 1.00000
80 -13.3229 1.00000
81 -13.3021 1.00000
82 -13.2875 1.00000
83 -13.2727 1.00000
84 -13.2501 1.00000
85 -13.2222 1.00000
86 -13.2203 1.00000
87 -13.1525 1.00000
88 -13.1426 1.00000
89 -13.1413 1.00000
90 -13.1036 1.00000
91 -13.0984 1.00000
92 -13.0695 1.00000
93 -13.0542 1.00000
94 -13.0351 1.00000
95 -13.0290 1.00000
96 -13.0083 1.00000
97 -1.5670 1.00000
98 -1.5576 1.00000
99 -1.5465 1.00000
100 -1.5351 1.00000
101 -1.4950 1.00000
102 -1.4795 1.00000
103 -1.4024 1.00000
104 -1.3656 1.00000
105 -1.2916 1.00000
106 -1.2847 1.00000
107 -1.2141 1.00000
108 -1.1965 1.00000
109 -0.9552 1.00000
110 -0.9488 1.00000
111 -0.9418 1.00000
112 -0.9379 1.00000
113 -0.7515 1.00000
114 -0.7231 1.00000
115 -0.6877 1.00000
116 -0.6770 1.00000
117 -0.5922 1.00000
118 -0.5750 1.00000
119 -0.5719 1.00000
120 -0.5469 1.00000
121 -0.4983 1.00000
122 -0.4910 1.00000
123 -0.4731 1.00000
124 -0.4672 1.00000
125 -0.4324 1.00000
126 -0.4247 1.00000
127 -0.4086 1.00000
128 -0.4066 1.00000
129 -0.2835 1.00000
130 -0.2482 1.00000
131 -0.2405 1.00000
132 -0.2057 1.00000
133 -0.1272 1.00000
134 -0.0071 1.00000
135 0.1007 1.00000
136 0.1851 1.00000
137 0.1918 1.00000
138 0.2151 1.00000
139 0.3251 1.00000
140 0.3508 1.00000
141 0.4078 1.00000
142 0.4467 1.00000
143 0.4601 1.00000
144 0.4714 1.00000
145 0.4798 1.00000
146 0.5613 1.00000
147 0.6047 1.00000
148 0.6076 1.00000
149 0.8741 1.00000
150 0.8913 1.00000
151 0.9010 1.00000
152 0.9683 1.00000
153 0.9890 1.00000
154 1.0363 1.00000
155 1.0793 1.00000
156 1.2162 1.00000
157 1.2271 1.00000
158 1.2645 1.00000
159 1.2670 1.00000
160 1.3200 1.00000
161 1.3446 1.00000
162 1.3562 1.00000
163 1.4601 1.00000
164 1.5059 1.00000
165 1.5171 1.00000
166 1.5204 1.00000
167 1.6444 1.00000
168 1.6780 1.00000
169 1.8591 1.00000
170 1.8991 1.00000
171 1.9735 1.00000
172 1.9823 1.00000
173 1.9844 1.00000
174 2.0142 1.00000
175 2.0661 1.00000
176 2.1032 1.00000
177 2.2777 1.00000
178 2.2908 1.00000
179 2.3043 1.00000
180 2.3121 1.00000
181 2.3317 1.00000
182 2.3367 1.00000
183 2.3444 1.00000
184 2.3946 1.00000
185 2.5303 1.00000
186 2.5468 1.00000
187 2.5570 1.00000
188 2.6073 1.00000
189 2.6223 1.00000
190 2.6330 1.00000
191 2.7311 1.00000
192 2.7448 1.00000
193 5.6774 0.00000
194 5.6898 0.00000
195 5.7555 0.00000
196 5.7571 0.00000
197 5.7951 0.00000
198 5.8115 0.00000
199 5.8501 0.00000
200 5.8552 0.00000
201 5.8664 0.00000
202 5.8667 0.00000
203 5.9576 0.00000
204 5.9660 0.00000
205 5.9673 0.00000
206 5.9702 0.00000
207 6.0324 0.00000
208 6.0559 0.00000
209 6.0603 0.00000
210 6.1120 0.00000
211 6.1760 0.00000
212 6.1837 0.00000
213 6.2205 0.00000
214 6.2532 0.00000
215 6.2706 0.00000
216 6.2761 0.00000
217 6.3325 0.00000
218 6.3325 0.00000
219 6.3404 0.00000
220 6.3515 0.00000
221 6.3580 0.00000
222 6.3600 0.00000
223 6.3616 0.00000
224 6.3864 0.00000
225 6.4046 0.00000
226 6.4251 0.00000
227 6.4706 0.00000
228 6.5009 0.00000
229 6.7109 0.00000
230 6.7381 0.00000
231 6.8574 0.00000
232 6.8583 0.00000
233 6.8882 0.00000
234 6.8967 0.00000
235 6.9991 0.00000
236 7.0486 0.00000
237 7.0537 0.00000
238 7.0798 0.00000
239 7.1468 0.00000
240 7.1883 0.00000
241 7.9296 0.00000
242 7.9373 0.00000
243 8.0152 0.00000
244 8.0195 0.00000
245 8.2935 0.00000
246 8.2999 0.00000
247 8.4426 0.00000
248 8.4520 0.00000
249 8.5846 0.00000
250 8.7226 0.00000
251 8.7832 0.00000
252 8.8478 0.00000
253 8.8777 0.00000
254 8.9122 0.00000
255 8.9914 0.00000
256 9.0820 0.00000
k-point 18 : 0.4167 0.4167 0.4167
band No. band energies occupation
1 -53.6297 1.00000
2 -53.6277 1.00000
3 -53.6277 1.00000
4 -53.6264 1.00000
5 -53.6255 1.00000
6 -53.6248 1.00000
7 -53.6248 1.00000
8 -53.6229 1.00000
9 -53.6060 1.00000
10 -53.6050 1.00000
11 -53.6050 1.00000
12 -53.6043 1.00000
13 -53.6034 1.00000
14 -53.6021 1.00000
15 -53.6021 1.00000
16 -53.6010 1.00000
17 -30.0080 1.00000
18 -30.0072 1.00000
19 -30.0072 1.00000
20 -30.0055 1.00000
21 -29.9948 1.00000
22 -29.9915 1.00000
23 -29.9915 1.00000
24 -29.9860 1.00000
25 -29.9421 1.00000
26 -29.9350 1.00000
27 -29.9271 1.00000
28 -29.9271 1.00000
29 -29.9199 1.00000
30 -29.9199 1.00000
31 -29.9086 1.00000
32 -29.9005 1.00000
33 -29.8710 1.00000
34 -29.8705 1.00000
35 -29.8645 1.00000
36 -29.8645 1.00000
37 -29.8633 1.00000
38 -29.8633 1.00000
39 -29.8616 1.00000
40 -29.8599 1.00000
41 -29.8322 1.00000
42 -29.8306 1.00000
43 -29.8200 1.00000
44 -29.8200 1.00000
45 -29.8182 1.00000
46 -29.8182 1.00000
47 -29.8096 1.00000
48 -29.8069 1.00000
49 -29.7705 1.00000
50 -29.7690 1.00000
51 -29.7690 1.00000
52 -29.7668 1.00000
53 -29.7657 1.00000
54 -29.7645 1.00000
55 -29.7645 1.00000
56 -29.7621 1.00000
57 -29.7435 1.00000
58 -29.7401 1.00000
59 -29.7401 1.00000
60 -29.7379 1.00000
61 -29.7310 1.00000
62 -29.7296 1.00000
63 -29.7296 1.00000
64 -29.7289 1.00000
65 -14.0774 1.00000
66 -13.9986 1.00000
67 -13.9567 1.00000
68 -13.9567 1.00000
69 -13.8902 1.00000
70 -13.8902 1.00000
71 -13.8154 1.00000
72 -13.7526 1.00000
73 -13.4955 1.00000
74 -13.4230 1.00000
75 -13.4098 1.00000
76 -13.4098 1.00000
77 -13.3607 1.00000
78 -13.3502 1.00000
79 -13.3502 1.00000
80 -13.3301 1.00000
81 -13.3080 1.00000
82 -13.3054 1.00000
83 -13.2767 1.00000
84 -13.2767 1.00000
85 -13.2599 1.00000
86 -13.2599 1.00000
87 -13.2100 1.00000
88 -13.1944 1.00000
89 -13.1163 1.00000
90 -13.0802 1.00000
91 -13.0802 1.00000
92 -13.0801 1.00000
93 -13.0522 1.00000
94 -13.0503 1.00000
95 -13.0503 1.00000
96 -13.0242 1.00000
97 -1.5499 1.00000
98 -1.5375 1.00000
99 -1.4983 1.00000
100 -1.4983 1.00000
101 -1.4958 1.00000
102 -1.4958 1.00000
103 -1.3775 1.00000
104 -1.3498 1.00000
105 -1.3426 1.00000
106 -1.3390 1.00000
107 -1.2176 1.00000
108 -1.2176 1.00000
109 -1.1957 1.00000
110 -1.1957 1.00000
111 -1.1779 1.00000
112 -1.1505 1.00000
113 -0.7023 1.00000
114 -0.6853 1.00000
115 -0.6847 1.00000
116 -0.6847 1.00000
117 -0.5416 1.00000
118 -0.5109 1.00000
119 -0.5109 1.00000
120 -0.4914 1.00000
121 -0.4154 1.00000
122 -0.4114 1.00000
123 -0.4114 1.00000
124 -0.4048 1.00000
125 -0.3671 1.00000
126 -0.3599 1.00000
127 -0.3599 1.00000
128 -0.3328 1.00000
129 -0.1130 1.00000
130 -0.0120 1.00000
131 0.0638 1.00000
132 0.0638 1.00000
133 0.1106 1.00000
134 0.1106 1.00000
135 0.1990 1.00000
136 0.2225 1.00000
137 0.2315 1.00000
138 0.2856 1.00000
139 0.3229 1.00000
140 0.3229 1.00000
141 0.3647 1.00000
142 0.3647 1.00000
143 0.4152 1.00000
144 0.4874 1.00000
145 0.5399 1.00000
146 0.5537 1.00000
147 0.7212 1.00000
148 0.7212 1.00000
149 0.7781 1.00000
150 0.7781 1.00000
151 0.7814 1.00000
152 0.7856 1.00000
153 0.9397 1.00000
154 0.9881 1.00000
155 0.9881 1.00000
156 1.0185 1.00000
157 1.0213 1.00000
158 1.0213 1.00000
159 1.0921 1.00000
160 1.1634 1.00000
161 1.3488 1.00000
162 1.4120 1.00000
163 1.4174 1.00000
164 1.4174 1.00000
165 1.5110 1.00000
166 1.5110 1.00000
167 1.5135 1.00000
168 1.6496 1.00000
169 1.9617 1.00000
170 1.9931 1.00000
171 1.9931 1.00000
172 2.0476 1.00000
173 2.0476 1.00000
174 2.0794 1.00000
175 2.1028 1.00000
176 2.1928 1.00000
177 2.2144 1.00000
178 2.2320 1.00000
179 2.2628 1.00000
180 2.2628 1.00000
181 2.2895 1.00000
182 2.2940 1.00000
183 2.3121 1.00000
184 2.3121 1.00000
185 2.6510 1.00000
186 2.6781 1.00000
187 2.6781 1.00000
188 2.6833 1.00000
189 2.6833 1.00000
190 2.6918 1.00000
191 2.7313 1.00000
192 2.7465 1.00000
193 5.6949 0.00000
194 5.7083 0.00000
195 5.7228 0.00000
196 5.7227 0.00000
197 5.7382 0.00000
198 5.7382 0.00000
199 5.7613 0.00000
200 5.7776 0.00000
201 5.9537 0.00000
202 5.9637 0.00000
203 5.9637 0.00000
204 5.9848 0.00000
205 5.9867 0.00000
206 5.9867 0.00000
207 6.0037 0.00000
208 6.0229 0.00000
209 6.0631 0.00000
210 6.0817 0.00000
211 6.1149 0.00000
212 6.1437 0.00000
213 6.1437 0.00000
214 6.1784 0.00000
215 6.1784 0.00000
216 6.2098 0.00000
217 6.2971 0.00000
218 6.2989 0.00000
219 6.2967 0.00000
220 6.3046 0.00000
221 6.3042 0.00000
222 6.3143 0.00000
223 6.3145 0.00000
224 6.3142 0.00000
225 6.4735 0.00000
226 6.5069 0.00000
227 6.6324 0.00000
228 6.6323 0.00000
229 6.6729 0.00000
230 6.6738 0.00000
231 6.6736 0.00000
232 6.7431 0.00000
233 6.8378 0.00000
234 6.8377 0.00000
235 6.8429 0.00000
236 6.8770 0.00000
237 6.8988 0.00000
238 6.8986 0.00000
239 6.9831 0.00000
240 7.0389 0.00000
241 8.0762 0.00000
242 8.0770 0.00000
243 8.1822 0.00000
244 8.1829 0.00000
245 8.1869 0.00000
246 8.1877 0.00000
247 8.3112 0.00000
248 8.3181 0.00000
249 8.7581 0.00000
250 8.8756 0.00000
251 8.8874 0.00000
252 8.9092 0.00000
253 9.0076 0.00000
254 9.0464 0.00000
255 9.1275 0.00000
256 9.3714 0.00000
spin component 2
k-point 1 : 0.0833 0.0833 0.0833
band No. band energies occupation
1 -53.6391 1.00000
2 -53.6277 1.00000
3 -53.6277 1.00000
4 -53.6248 1.00000
5 -53.6248 1.00000
6 -53.6196 1.00000
7 -53.6161 1.00000
8 -53.6137 1.00000
9 -53.6136 1.00000
10 -53.6128 1.00000
11 -53.6102 1.00000
12 -53.6050 1.00000
13 -53.6050 1.00000
14 -53.6021 1.00000
15 -53.6021 1.00000
16 -53.5941 1.00000
17 -30.0319 1.00000
18 -30.0180 1.00000
19 -30.0180 1.00000
20 -30.0059 1.00000
21 -30.0059 1.00000
22 -30.0051 1.00000
23 -29.9960 1.00000
24 -29.9941 1.00000
25 -29.9859 1.00000
26 -29.9287 1.00000
27 -29.9287 1.00000
28 -29.9264 1.00000
29 -29.9264 1.00000
30 -29.9012 1.00000
31 -29.8771 1.00000
32 -29.8749 1.00000
33 -29.8727 1.00000
34 -29.8703 1.00000
35 -29.8679 1.00000
36 -29.8521 1.00000
37 -29.8445 1.00000
38 -29.8440 1.00000
39 -29.8440 1.00000
40 -29.8418 1.00000
41 -29.8418 1.00000
42 -29.8382 1.00000
43 -29.8364 1.00000
44 -29.8251 1.00000
45 -29.8251 1.00000
46 -29.8234 1.00000
47 -29.8234 1.00000
48 -29.7798 1.00000
49 -29.7785 1.00000
50 -29.7684 1.00000
51 -29.7684 1.00000
52 -29.7660 1.00000
53 -29.7660 1.00000
54 -29.7605 1.00000
55 -29.7605 1.00000
56 -29.7520 1.00000
57 -29.7458 1.00000
58 -29.7446 1.00000
59 -29.7378 1.00000
60 -29.7377 1.00000
61 -29.7377 1.00000
62 -29.7289 1.00000
63 -29.7289 1.00000
64 -29.7181 1.00000
65 -14.4999 1.00000
66 -14.0616 1.00000
67 -14.0387 1.00000
68 -14.0387 1.00000
69 -13.9904 1.00000
70 -13.9904 1.00000
71 -13.9308 1.00000
72 -13.5367 1.00000
73 -13.4812 1.00000
74 -13.3640 1.00000
75 -13.3561 1.00000
76 -13.3377 1.00000
77 -13.3377 1.00000
78 -13.3279 1.00000
79 -13.3279 1.00000
80 -13.3127 1.00000
81 -13.2915 1.00000
82 -13.2739 1.00000
83 -13.2107 1.00000
84 -13.2081 1.00000
85 -13.2081 1.00000
86 -13.1528 1.00000
87 -13.1528 1.00000
88 -13.1123 1.00000
89 -13.1011 1.00000
90 -13.1011 1.00000
91 -13.0924 1.00000
92 -13.0924 1.00000
93 -13.0268 1.00000
94 -13.0041 1.00000
95 -12.9989 1.00000
96 -12.9738 1.00000
97 -1.4589 1.00000
98 -1.4589 1.00000
99 -1.4453 1.00000
100 -1.3888 1.00000
101 -1.3875 1.00000
102 -1.3117 1.00000
103 -1.3117 1.00000
104 -1.2336 1.00000
105 -1.1713 1.00000
106 -1.1562 1.00000
107 -1.1562 1.00000
108 -1.0001 1.00000
109 -0.9613 1.00000
110 -0.9361 1.00000
111 -0.9361 1.00000
112 -0.9318 1.00000
113 -0.8119 1.00000
114 -0.7972 1.00000
115 -0.7779 1.00000
116 -0.7493 1.00000
117 -0.7369 1.00000
118 -0.7020 1.00000
119 -0.7020 1.00000
120 -0.6876 1.00000
121 -0.6876 1.00000
122 -0.6747 1.00000
123 -0.6747 1.00000
124 -0.6718 1.00000
125 -0.6718 1.00000
126 -0.6300 1.00000
127 -0.6264 1.00000
128 -0.6137 1.00000
129 -0.5663 1.00000
130 -0.5646 1.00000
131 -0.5634 1.00000
132 -0.3850 1.00000
133 -0.0628 1.00000
134 -0.0628 1.00000
135 0.0135 1.00000
136 0.0135 1.00000
137 0.3000 1.00000
138 0.3062 1.00000
139 0.3234 1.00000
140 0.3234 1.00000
141 0.4184 1.00000
142 0.4845 1.00000
143 0.6041 1.00000
144 0.6041 1.00000
145 0.8031 1.00000
146 0.8524 1.00000
147 0.8524 1.00000
148 0.9587 1.00000
149 0.9587 1.00000
150 0.9617 1.00000
151 0.9885 1.00000
152 1.0046 1.00000
153 1.0069 1.00000
154 1.0094 1.00000
155 1.0094 1.00000
156 1.0134 1.00000
157 1.0482 1.00000
158 1.1120 1.00000
159 1.1125 1.00000
160 1.1125 1.00000
161 1.2692 1.00000
162 1.6477 1.00000
163 1.6488 1.00000
164 1.6686 1.00000
165 1.6917 1.00000
166 1.6917 1.00000
167 1.7248 1.00000
168 1.7810 1.00000
169 1.7810 1.00000
170 1.9811 1.00000
171 1.9811 1.00000
172 1.9945 1.00000
173 1.9945 1.00000
174 2.0054 1.00000
175 2.0054 1.00000
176 2.0261 1.00000
177 2.0261 1.00000
178 2.0706 1.00000
179 2.0722 1.00000
180 2.1522 1.00000
181 2.1522 1.00000
182 2.1680 1.00000
183 2.1795 1.00000
184 2.1795 1.00000
185 2.4546 1.00000
186 2.5623 1.00000
187 2.7617 1.00000
188 2.7694 1.00000
189 2.8182 1.00000
190 2.8795 1.00000
191 2.9010 1.00000
192 2.9438 1.00000
193 5.0493 0.00000
194 5.2866 0.00000
195 5.3625 0.00000
196 5.6188 0.00000
197 5.9807 0.00000
198 6.0332 0.00000
199 6.0359 0.00000
200 6.0358 0.00000
201 6.0436 0.00000
202 6.0436 0.00000
203 6.0446 0.00000
204 6.1019 0.00000
205 6.1382 0.00000
206 6.1381 0.00000
207 6.1689 0.00000
208 6.1689 0.00000
209 6.2689 0.00000
210 6.2688 0.00000
211 6.2881 0.00000
212 6.2880 0.00000
213 6.3565 0.00000
214 6.3564 0.00000
215 6.3870 0.00000
216 6.3868 0.00000
217 6.4047 0.00000
218 6.4357 0.00000
219 6.4378 0.00000
220 6.4548 0.00000
221 6.4737 0.00000
222 6.5181 0.00000
223 6.5914 0.00000
224 6.6326 0.00000
225 6.6970 0.00000
226 6.7183 0.00000
227 6.8671 0.00000
228 6.8687 0.00000
229 6.9408 0.00000
230 6.9407 0.00000
231 7.0080 0.00000
232 7.0079 0.00000
233 7.0806 0.00000
234 7.0805 0.00000
235 7.1162 0.00000
236 7.1162 0.00000
237 7.4771 0.00000
238 7.5013 0.00000
239 7.5015 0.00000
240 7.5304 0.00000
241 7.5886 0.00000
242 7.6771 0.00000
243 7.7296 0.00000
244 7.8351 0.00000
245 7.9631 0.00000
246 7.9633 0.00000
247 7.9825 0.00000
248 7.9835 0.00000
249 8.0009 0.00000
250 8.3733 0.00000
251 8.5658 0.00000
252 8.6878 0.00000
253 8.7578 0.00000
254 8.8376 0.00000
255 8.9369 0.00000
256 8.9845 0.00000
k-point 2 : 0.2500 0.0833 0.0833
band No. band energies occupation
1 -53.6381 1.00000
2 -53.6307 1.00000
3 -53.6267 1.00000
4 -53.6238 1.00000
5 -53.6223 1.00000
6 -53.6194 1.00000
7 -53.6192 1.00000
8 -53.6163 1.00000
9 -53.6135 1.00000
10 -53.6104 1.00000
11 -53.6080 1.00000
12 -53.6076 1.00000
13 -53.6056 1.00000
14 -53.6027 1.00000
15 -53.5995 1.00000
16 -53.5947 1.00000
17 -30.0311 1.00000
18 -30.0247 1.00000
19 -30.0172 1.00000
20 -30.0108 1.00000
21 -30.0052 1.00000
22 -30.0001 1.00000
23 -29.9872 1.00000
24 -29.9801 1.00000
25 -29.9720 1.00000
26 -29.9342 1.00000
27 -29.9309 1.00000
28 -29.9225 1.00000
29 -29.9147 1.00000
30 -29.9134 1.00000
31 -29.8828 1.00000
32 -29.8763 1.00000
33 -29.8740 1.00000
34 -29.8655 1.00000
35 -29.8624 1.00000
36 -29.8517 1.00000
37 -29.8511 1.00000
38 -29.8511 1.00000
39 -29.8503 1.00000
40 -29.8463 1.00000
41 -29.8399 1.00000
42 -29.8370 1.00000
43 -29.8346 1.00000
44 -29.8307 1.00000
45 -29.8285 1.00000
46 -29.8251 1.00000
47 -29.8184 1.00000
48 -29.7864 1.00000
49 -29.7777 1.00000
50 -29.7711 1.00000
51 -29.7689 1.00000
52 -29.7658 1.00000
53 -29.7639 1.00000
54 -29.7608 1.00000
55 -29.7604 1.00000
56 -29.7587 1.00000
57 -29.7529 1.00000
58 -29.7465 1.00000
59 -29.7395 1.00000
60 -29.7361 1.00000
61 -29.7317 1.00000
62 -29.7273 1.00000
63 -29.7215 1.00000
64 -29.7162 1.00000
65 -14.4413 1.00000
66 -14.1170 1.00000
67 -14.0226 1.00000
68 -13.9683 1.00000
69 -13.9621 1.00000
70 -13.9125 1.00000
71 -13.8781 1.00000
72 -13.5028 1.00000
73 -13.4832 1.00000
74 -13.4563 1.00000
75 -13.4178 1.00000
76 -13.3817 1.00000
77 -13.3601 1.00000
78 -13.3480 1.00000
79 -13.3205 1.00000
80 -13.2964 1.00000
81 -13.2868 1.00000
82 -13.2861 1.00000
83 -13.2467 1.00000
84 -13.2372 1.00000
85 -13.1981 1.00000
86 -13.1865 1.00000
87 -13.1440 1.00000
88 -13.1050 1.00000
89 -13.0980 1.00000
90 -13.0942 1.00000
91 -13.0825 1.00000
92 -13.0659 1.00000
93 -13.0437 1.00000
94 -13.0360 1.00000
95 -13.0157 1.00000
96 -12.9778 1.00000
97 -1.5834 1.00000
98 -1.5468 1.00000
99 -1.5194 1.00000
100 -1.4737 1.00000
101 -1.4511 1.00000
102 -1.3996 1.00000
103 -1.3243 1.00000
104 -1.2583 1.00000
105 -1.1532 1.00000
106 -1.1455 1.00000
107 -1.0044 1.00000
108 -0.9965 1.00000
109 -0.9933 1.00000
110 -0.9426 1.00000
111 -0.9108 1.00000
112 -0.9014 1.00000
113 -0.8587 1.00000
114 -0.8209 1.00000
115 -0.7751 1.00000
116 -0.7718 1.00000
117 -0.7618 1.00000
118 -0.7292 1.00000
119 -0.7099 1.00000
120 -0.7040 1.00000
121 -0.6782 1.00000
122 -0.6730 1.00000
123 -0.6195 1.00000
124 -0.5446 1.00000
125 -0.5244 1.00000
126 -0.5145 1.00000
127 -0.4847 1.00000
128 -0.3918 1.00000
129 -0.3803 1.00000
130 -0.3740 1.00000
131 -0.3116 1.00000
132 -0.3101 1.00000
133 -0.0844 1.00000
134 -0.0517 1.00000
135 -0.0437 1.00000
136 0.0026 1.00000
137 0.1669 1.00000
138 0.1970 1.00000
139 0.2476 1.00000
140 0.3231 1.00000
141 0.4376 1.00000
142 0.5037 1.00000
143 0.6010 1.00000
144 0.6082 1.00000
145 0.7103 1.00000
146 0.7351 1.00000
147 0.8040 1.00000
148 0.8059 1.00000
149 0.8093 1.00000
150 0.8686 1.00000
151 0.8705 1.00000
152 0.9088 1.00000
153 0.9285 1.00000
154 0.9558 1.00000
155 0.9932 1.00000
156 1.0150 1.00000
157 1.1063 1.00000
158 1.2048 1.00000
159 1.2799 1.00000
160 1.4186 1.00000
161 1.4279 1.00000
162 1.5591 1.00000
163 1.5731 1.00000
164 1.6336 1.00000
165 1.6465 1.00000
166 1.6635 1.00000
167 1.6957 1.00000
168 1.7601 1.00000
169 1.8265 1.00000
170 1.9335 1.00000
171 1.9455 1.00000
172 1.9927 1.00000
173 2.0016 1.00000
174 2.0452 1.00000
175 2.0469 1.00000
176 2.0480 1.00000
177 2.1237 1.00000
178 2.1714 1.00000
179 2.1752 1.00000
180 2.1968 1.00000
181 2.2245 1.00000
182 2.2281 1.00000
183 2.2843 1.00000
184 2.3283 1.00000
185 2.3691 1.00000
186 2.5773 1.00000
187 2.5810 1.00000
188 2.6039 1.00000
189 2.6892 1.00000
190 2.7770 1.00000
191 2.8962 1.00000
192 2.9306 1.00000
193 5.3217 0.00000
194 5.3993 0.00000
195 5.5790 0.00000
196 5.6695 0.00000
197 5.8834 0.00000
198 5.9081 0.00000
199 5.9176 0.00000
200 5.9510 0.00000
201 5.9613 0.00000
202 5.9658 0.00000
203 5.9788 0.00000
204 6.0374 0.00000
205 6.0540 0.00000
206 6.1166 0.00000
207 6.1301 0.00000
208 6.1415 0.00000
209 6.2608 0.00000
210 6.2658 0.00000
211 6.2922 0.00000
212 6.2942 0.00000
213 6.2978 0.00000
214 6.2993 0.00000
215 6.3014 0.00000
216 6.3022 0.00000
217 6.3566 0.00000
218 6.3587 0.00000
219 6.4076 0.00000
220 6.4304 0.00000
221 6.4518 0.00000
222 6.4737 0.00000
223 6.4766 0.00000
224 6.4772 0.00000
225 6.5180 0.00000
226 6.6265 0.00000
227 6.7277 0.00000
228 6.7694 0.00000
229 6.7871 0.00000
230 6.8858 0.00000
231 6.9161 0.00000
232 6.9676 0.00000
233 7.0329 0.00000
234 7.0991 0.00000
235 7.1071 0.00000
236 7.1072 0.00000
237 7.3462 0.00000
238 7.3676 0.00000
239 7.4239 0.00000
240 7.4585 0.00000
241 7.6907 0.00000
242 7.8244 0.00000
243 7.9055 0.00000
244 7.9544 0.00000
245 8.0234 0.00000
246 8.0714 0.00000
247 8.1901 0.00000
248 8.1982 0.00000
249 8.3191 0.00000
250 8.4638 0.00000
251 8.6254 0.00000
252 8.6529 0.00000
253 8.8149 0.00000
254 8.8874 0.00000
255 8.9564 0.00000
256 9.0324 0.00000
k-point 3 : 0.4167 0.0833 0.0833
band No. band energies occupation
1 -53.6362 1.00000
2 -53.6337 1.00000
3 -53.6248 1.00000
4 -53.6222 1.00000
5 -53.6219 1.00000
6 -53.6205 1.00000
7 -53.6195 1.00000
8 -53.6193 1.00000
9 -53.6126 1.00000
10 -53.6106 1.00000
11 -53.6083 1.00000
12 -53.6066 1.00000
13 -53.6054 1.00000
14 -53.6038 1.00000
15 -53.5974 1.00000
16 -53.5958 1.00000
17 -30.0298 1.00000
18 -30.0280 1.00000
19 -30.0158 1.00000
20 -30.0139 1.00000
21 -30.0041 1.00000
22 -30.0026 1.00000
23 -29.9630 1.00000
24 -29.9624 1.00000
25 -29.9556 1.00000
26 -29.9458 1.00000
27 -29.9408 1.00000
28 -29.9365 1.00000
29 -29.9105 1.00000
30 -29.8966 1.00000
31 -29.8954 1.00000
32 -29.8724 1.00000
33 -29.8714 1.00000
34 -29.8699 1.00000
35 -29.8620 1.00000
36 -29.8619 1.00000
37 -29.8540 1.00000
38 -29.8510 1.00000
39 -29.8502 1.00000
40 -29.8485 1.00000
41 -29.8412 1.00000
42 -29.8385 1.00000
43 -29.8385 1.00000
44 -29.8376 1.00000
45 -29.8281 1.00000
46 -29.8255 1.00000
47 -29.8093 1.00000
48 -29.7975 1.00000
49 -29.7760 1.00000
50 -29.7737 1.00000
51 -29.7680 1.00000
52 -29.7645 1.00000
53 -29.7639 1.00000
54 -29.7624 1.00000
55 -29.7613 1.00000
56 -29.7594 1.00000
57 -29.7587 1.00000
58 -29.7539 1.00000
59 -29.7360 1.00000
60 -29.7350 1.00000
61 -29.7277 1.00000
62 -29.7264 1.00000
63 -29.7166 1.00000
64 -29.7150 1.00000
65 -14.3400 1.00000
66 -14.2228 1.00000
67 -13.9859 1.00000
68 -13.9678 1.00000
69 -13.8236 1.00000
70 -13.7708 1.00000
71 -13.7525 1.00000
72 -13.6512 1.00000
73 -13.5932 1.00000
74 -13.5727 1.00000
75 -13.4496 1.00000
76 -13.4058 1.00000
77 -13.3978 1.00000
78 -13.3352 1.00000
79 -13.3297 1.00000
80 -13.3270 1.00000
81 -13.2441 1.00000
82 -13.2372 1.00000
83 -13.2357 1.00000
84 -13.2267 1.00000
85 -13.1957 1.00000
86 -13.1552 1.00000
87 -13.1548 1.00000
88 -13.1263 1.00000
89 -13.0999 1.00000
90 -13.0807 1.00000
91 -13.0778 1.00000
92 -13.0719 1.00000
93 -13.0605 1.00000
94 -13.0584 1.00000
95 -13.0458 1.00000
96 -13.0160 1.00000
97 -1.5183 1.00000
98 -1.5075 1.00000
99 -1.4657 1.00000
100 -1.4401 1.00000
101 -1.4376 1.00000
102 -1.4161 1.00000
103 -1.3818 1.00000
104 -1.3002 1.00000
105 -1.2528 1.00000
106 -1.2514 1.00000
107 -1.2358 1.00000
108 -1.1572 1.00000
109 -1.1475 1.00000
110 -1.1383 1.00000
111 -0.9168 1.00000
112 -0.9035 1.00000
113 -0.8550 1.00000
114 -0.8365 1.00000
115 -0.7581 1.00000
116 -0.7351 1.00000
117 -0.7322 1.00000
118 -0.7124 1.00000
119 -0.7122 1.00000
120 -0.7088 1.00000
121 -0.6891 1.00000
122 -0.6826 1.00000
123 -0.5635 1.00000
124 -0.5287 1.00000
125 -0.4141 1.00000
126 -0.3550 1.00000
127 -0.3532 1.00000
128 -0.2564 1.00000
129 -0.2325 1.00000
130 -0.1209 1.00000
131 -0.0255 1.00000
132 -0.0088 1.00000
133 0.0352 1.00000
134 0.0521 1.00000
135 0.0980 1.00000
136 0.1994 1.00000
137 0.2557 1.00000
138 0.2753 1.00000
139 0.3464 1.00000
140 0.3611 1.00000
141 0.4137 1.00000
142 0.4679 1.00000
143 0.4794 1.00000
144 0.5295 1.00000
145 0.5969 1.00000
146 0.6065 1.00000
147 0.6498 1.00000
148 0.7416 1.00000
149 0.7474 1.00000
150 0.8236 1.00000
151 0.8843 1.00000
152 0.8855 1.00000
153 0.8905 1.00000
154 0.8982 1.00000
155 0.9389 1.00000
156 0.9487 1.00000
157 1.0516 1.00000
158 1.0602 1.00000
159 1.0831 1.00000
160 1.1248 1.00000
161 1.4495 1.00000
162 1.4681 1.00000
163 1.5205 1.00000
164 1.5561 1.00000
165 1.5714 1.00000
166 1.7066 1.00000
167 1.7280 1.00000
168 1.7657 1.00000
169 1.8360 1.00000
170 1.8833 1.00000
171 1.9719 1.00000
172 2.0216 1.00000
173 2.0540 1.00000
174 2.0599 1.00000
175 2.1217 1.00000
176 2.1483 1.00000
177 2.1815 1.00000
178 2.2510 1.00000
179 2.2653 1.00000
180 2.2799 1.00000
181 2.3442 1.00000
182 2.3571 1.00000
183 2.4033 1.00000
184 2.4075 1.00000
185 2.4377 1.00000
186 2.5055 1.00000
187 2.5492 1.00000
188 2.5958 1.00000
189 2.6130 1.00000
190 2.6268 1.00000
191 2.8021 1.00000
192 2.8286 1.00000
193 5.5408 0.00000
194 5.7053 0.00000
195 5.7101 0.00000
196 5.7746 0.00000
197 5.8382 0.00000
198 5.8471 0.00000
199 5.8471 0.00000
200 5.8851 0.00000
201 5.8957 0.00000
202 5.9249 0.00000
203 5.9294 0.00000
204 5.9563 0.00000
205 5.9828 0.00000
206 6.0166 0.00000
207 6.0318 0.00000
208 6.0546 0.00000
209 6.0651 0.00000
210 6.1141 0.00000
211 6.1727 0.00000
212 6.2155 0.00000
213 6.2166 0.00000
214 6.2712 0.00000
215 6.2763 0.00000
216 6.2947 0.00000
217 6.2955 0.00000
218 6.2962 0.00000
219 6.3228 0.00000
220 6.3455 0.00000
221 6.4151 0.00000
222 6.4539 0.00000
223 6.4628 0.00000
224 6.4818 0.00000
225 6.4978 0.00000
226 6.4994 0.00000
227 6.5923 0.00000
228 6.5995 0.00000
229 6.8770 0.00000
230 6.9650 0.00000
231 6.9890 0.00000
232 7.0029 0.00000
233 7.0062 0.00000
234 7.0643 0.00000
235 7.1322 0.00000
236 7.1494 0.00000
237 7.1733 0.00000
238 7.1858 0.00000
239 7.2827 0.00000
240 7.3245 0.00000
241 7.7610 0.00000
242 7.8329 0.00000
243 7.8596 0.00000
244 7.9036 0.00000
245 8.3112 0.00000
246 8.3390 0.00000
247 8.4055 0.00000
248 8.4255 0.00000
249 8.4744 0.00000
250 8.5070 0.00000
251 8.5636 0.00000
252 8.5767 0.00000
253 8.6382 0.00000
254 8.7552 0.00000
255 9.0581 0.00000
256 9.1576 0.00000
k-point 4 : 0.2500 0.2500 0.0833
band No. band energies occupation
1 -53.6371 1.00000
2 -53.6297 1.00000
3 -53.6297 1.00000
4 -53.6223 1.00000
5 -53.6213 1.00000
6 -53.6213 1.00000
7 -53.6190 1.00000
8 -53.6148 1.00000
9 -53.6134 1.00000
10 -53.6125 1.00000
11 -53.6085 1.00000
12 -53.6085 1.00000
13 -53.6050 1.00000
14 -53.6001 1.00000
15 -53.6001 1.00000
16 -53.5952 1.00000
17 -30.0304 1.00000
18 -30.0238 1.00000
19 -30.0238 1.00000
20 -30.0170 1.00000
21 -29.9868 1.00000
22 -29.9868 1.00000
23 -29.9868 1.00000
24 -29.9810 1.00000
25 -29.9588 1.00000
26 -29.9298 1.00000
27 -29.9298 1.00000
28 -29.9198 1.00000
29 -29.9188 1.00000
30 -29.9188 1.00000
31 -29.8975 1.00000
32 -29.8752 1.00000
33 -29.8697 1.00000
34 -29.8631 1.00000
35 -29.8582 1.00000
36 -29.8550 1.00000
37 -29.8523 1.00000
38 -29.8523 1.00000
39 -29.8488 1.00000
40 -29.8488 1.00000
41 -29.8483 1.00000
42 -29.8431 1.00000
43 -29.8332 1.00000
44 -29.8308 1.00000
45 -29.8308 1.00000
46 -29.8229 1.00000
47 -29.8229 1.00000
48 -29.7911 1.00000
49 -29.7789 1.00000
50 -29.7723 1.00000
51 -29.7723 1.00000
52 -29.7647 1.00000
53 -29.7632 1.00000
54 -29.7632 1.00000
55 -29.7606 1.00000
56 -29.7600 1.00000
57 -29.7494 1.00000
58 -29.7462 1.00000
59 -29.7449 1.00000
60 -29.7449 1.00000
61 -29.7251 1.00000
62 -29.7200 1.00000
63 -29.7200 1.00000
64 -29.7145 1.00000
65 -14.3807 1.00000
66 -14.0432 1.00000
67 -14.0432 1.00000
68 -13.9661 1.00000
69 -13.8896 1.00000
70 -13.8896 1.00000
71 -13.8427 1.00000
72 -13.5959 1.00000
73 -13.4676 1.00000
74 -13.4332 1.00000
75 -13.4082 1.00000
76 -13.3669 1.00000
77 -13.3669 1.00000
78 -13.3555 1.00000
79 -13.3203 1.00000
80 -13.3193 1.00000
81 -13.3193 1.00000
82 -13.2836 1.00000
83 -13.2836 1.00000
84 -13.2723 1.00000
85 -13.2262 1.00000
86 -13.2262 1.00000
87 -13.1788 1.00000
88 -13.1176 1.00000
89 -13.0990 1.00000
90 -13.0990 1.00000
91 -13.0848 1.00000
92 -13.0593 1.00000
93 -13.0419 1.00000
94 -13.0339 1.00000
95 -13.0339 1.00000
96 -12.9646 1.00000
97 -1.6068 1.00000
98 -1.5754 1.00000
99 -1.5754 1.00000
100 -1.5369 1.00000
101 -1.5164 1.00000
102 -1.4844 1.00000
103 -1.4844 1.00000
104 -1.3411 1.00000
105 -1.0462 1.00000
106 -1.0359 1.00000
107 -1.0086 1.00000
108 -0.9754 1.00000
109 -0.9381 1.00000
110 -0.9381 1.00000
111 -0.9235 1.00000
112 -0.9235 1.00000
113 -0.9187 1.00000
114 -0.9185 1.00000
115 -0.9185 1.00000
116 -0.8309 1.00000
117 -0.6355 1.00000
118 -0.6031 1.00000
119 -0.6031 1.00000
120 -0.5678 1.00000
121 -0.5159 1.00000
122 -0.5159 1.00000
123 -0.4801 1.00000
124 -0.4707 1.00000
125 -0.4618 1.00000
126 -0.3695 1.00000
127 -0.3695 1.00000
128 -0.3546 1.00000
129 -0.3134 1.00000
130 -0.3085 1.00000
131 -0.2581 1.00000
132 -0.1999 1.00000
133 -0.0662 1.00000
134 -0.0662 1.00000
135 -0.0239 1.00000
136 -0.0239 1.00000
137 0.1051 1.00000
138 0.1831 1.00000
139 0.1831 1.00000
140 0.2512 1.00000
141 0.2896 1.00000
142 0.3183 1.00000
143 0.5727 1.00000
144 0.5727 1.00000
145 0.6702 1.00000
146 0.6702 1.00000
147 0.7097 1.00000
148 0.7149 1.00000
149 0.8095 1.00000
150 0.8696 1.00000
151 0.8696 1.00000
152 0.8736 1.00000
153 0.9452 1.00000
154 0.9452 1.00000
155 1.0673 1.00000
156 1.1662 1.00000
157 1.2089 1.00000
158 1.2089 1.00000
159 1.2292 1.00000
160 1.4039 1.00000
161 1.4096 1.00000
162 1.4313 1.00000
163 1.6215 1.00000
164 1.6215 1.00000
165 1.7181 1.00000
166 1.7181 1.00000
167 1.7992 1.00000
168 1.8010 1.00000
169 1.8012 1.00000
170 1.8645 1.00000
171 1.8645 1.00000
172 1.9197 1.00000
173 1.9197 1.00000
174 1.9287 1.00000
175 1.9368 1.00000
176 2.0286 1.00000
177 2.1852 1.00000
178 2.1852 1.00000
179 2.2395 1.00000
180 2.3038 1.00000
181 2.3038 1.00000
182 2.3609 1.00000
183 2.3609 1.00000
184 2.4265 1.00000
185 2.4538 1.00000
186 2.4538 1.00000
187 2.4832 1.00000
188 2.5520 1.00000
189 2.6762 1.00000
190 2.7777 1.00000
191 2.8426 1.00000
192 2.9150 1.00000
193 5.5380 0.00000
194 5.5912 0.00000
195 5.6172 0.00000
196 5.6844 0.00000
197 5.8425 0.00000
198 5.8470 0.00000
199 5.8469 0.00000
200 5.8721 0.00000
201 5.8720 0.00000
202 5.9625 0.00000
203 5.9883 0.00000
204 5.9882 0.00000
205 6.0009 0.00000
206 6.0275 0.00000
207 6.0274 0.00000
208 6.1616 0.00000
209 6.1655 0.00000
210 6.1714 0.00000
211 6.2575 0.00000
212 6.2574 0.00000
213 6.2686 0.00000
214 6.2773 0.00000
215 6.2771 0.00000
216 6.2935 0.00000
217 6.3380 0.00000
218 6.3523 0.00000
219 6.3522 0.00000
220 6.3840 0.00000
221 6.4172 0.00000
222 6.4169 0.00000
223 6.4490 0.00000
224 6.4932 0.00000
225 6.5049 0.00000
226 6.5501 0.00000
227 6.5553 0.00000
228 6.6789 0.00000
229 6.6782 0.00000
230 6.6801 0.00000
231 6.8267 0.00000
232 6.8266 0.00000
233 6.9338 0.00000
234 6.9336 0.00000
235 7.0615 0.00000
236 7.0615 0.00000
237 7.2115 0.00000
238 7.2814 0.00000
239 7.2821 0.00000
240 7.3893 0.00000
241 7.9500 0.00000
242 7.9827 0.00000
243 8.1173 0.00000
244 8.1405 0.00000
245 8.1435 0.00000
246 8.1703 0.00000
247 8.1713 0.00000
248 8.3949 0.00000
249 8.5373 0.00000
250 8.6857 0.00000
251 8.6925 0.00000
252 8.7120 0.00000
253 8.8402 0.00000
254 8.9008 0.00000
255 9.0171 0.00000
256 9.1184 0.00000
k-point 5 : 0.4167 0.2500 0.0833
band No. band energies occupation
1 -53.6352 1.00000
2 -53.6327 1.00000
3 -53.6278 1.00000
4 -53.6253 1.00000
5 -53.6196 1.00000
6 -53.6195 1.00000
7 -53.6187 1.00000
8 -53.6170 1.00000
9 -53.6128 1.00000
10 -53.6111 1.00000
11 -53.6111 1.00000
12 -53.6095 1.00000
13 -53.6028 1.00000
14 -53.6012 1.00000
15 -53.5979 1.00000
16 -53.5963 1.00000
17 -30.0291 1.00000
18 -30.0272 1.00000
19 -30.0224 1.00000
20 -30.0203 1.00000
21 -29.9863 1.00000
22 -29.9859 1.00000
23 -29.9636 1.00000
24 -29.9632 1.00000
25 -29.9444 1.00000
26 -29.9426 1.00000
27 -29.9381 1.00000
28 -29.9281 1.00000
29 -29.9208 1.00000
30 -29.9105 1.00000
31 -29.8995 1.00000
32 -29.8771 1.00000
33 -29.8703 1.00000
34 -29.8656 1.00000
35 -29.8609 1.00000
36 -29.8598 1.00000
37 -29.8536 1.00000
38 -29.8515 1.00000
39 -29.8494 1.00000
40 -29.8474 1.00000
41 -29.8460 1.00000
42 -29.8440 1.00000
43 -29.8414 1.00000
44 -29.8321 1.00000
45 -29.8314 1.00000
46 -29.8307 1.00000
47 -29.8133 1.00000
48 -29.8015 1.00000
49 -29.7779 1.00000
50 -29.7754 1.00000
51 -29.7722 1.00000
52 -29.7695 1.00000
53 -29.7614 1.00000
54 -29.7606 1.00000
55 -29.7605 1.00000
56 -29.7577 1.00000
57 -29.7554 1.00000
58 -29.7525 1.00000
59 -29.7444 1.00000
60 -29.7437 1.00000
61 -29.7208 1.00000
62 -29.7192 1.00000
63 -29.7152 1.00000
64 -29.7135 1.00000
65 -14.2755 1.00000
66 -14.1532 1.00000
67 -13.9112 1.00000
68 -13.9107 1.00000
69 -13.8892 1.00000
70 -13.7489 1.00000
71 -13.7466 1.00000
72 -13.7354 1.00000
73 -13.5673 1.00000
74 -13.5595 1.00000
75 -13.4119 1.00000
76 -13.3863 1.00000
77 -13.3614 1.00000
78 -13.3602 1.00000
79 -13.3579 1.00000
80 -13.3148 1.00000
81 -13.2981 1.00000
82 -13.2883 1.00000
83 -13.2573 1.00000
84 -13.2211 1.00000
85 -13.2051 1.00000
86 -13.2050 1.00000
87 -13.2032 1.00000
88 -13.1660 1.00000
89 -13.1500 1.00000
90 -13.1173 1.00000
91 -13.0875 1.00000
92 -13.0701 1.00000
93 -13.0605 1.00000
94 -13.0356 1.00000
95 -13.0133 1.00000
96 -12.9843 1.00000
97 -1.5856 1.00000
98 -1.5615 1.00000
99 -1.5457 1.00000
100 -1.5186 1.00000
101 -1.5103 1.00000
102 -1.4621 1.00000
103 -1.4516 1.00000
104 -1.3104 1.00000
105 -1.2916 1.00000
106 -1.2690 1.00000
107 -1.2433 1.00000
108 -1.1713 1.00000
109 -0.9945 1.00000
110 -0.9713 1.00000
111 -0.9521 1.00000
112 -0.9509 1.00000
113 -0.9448 1.00000
114 -0.9361 1.00000
115 -0.8718 1.00000
116 -0.8491 1.00000
117 -0.5816 1.00000
118 -0.5776 1.00000
119 -0.5291 1.00000
120 -0.4839 1.00000
121 -0.4648 1.00000
122 -0.4131 1.00000
123 -0.3986 1.00000
124 -0.3764 1.00000
125 -0.3643 1.00000
126 -0.3211 1.00000
127 -0.3062 1.00000
128 -0.2623 1.00000
129 -0.2226 1.00000
130 -0.0708 1.00000
131 -0.0236 1.00000
132 0.0196 1.00000
133 0.0247 1.00000
134 0.0481 1.00000
135 0.1164 1.00000
136 0.1858 1.00000
137 0.2276 1.00000
138 0.2661 1.00000
139 0.2798 1.00000
140 0.3393 1.00000
141 0.3587 1.00000
142 0.3700 1.00000
143 0.4126 1.00000
144 0.4785 1.00000
145 0.4911 1.00000
146 0.5066 1.00000
147 0.5333 1.00000
148 0.6143 1.00000
149 0.6868 1.00000
150 0.7006 1.00000
151 0.9092 1.00000
152 0.9453 1.00000
153 0.9700 1.00000
154 0.9749 1.00000
155 0.9858 1.00000
156 1.0763 1.00000
157 1.0765 1.00000
158 1.1749 1.00000
159 1.2059 1.00000
160 1.2566 1.00000
161 1.3191 1.00000
162 1.3522 1.00000
163 1.4050 1.00000
164 1.5153 1.00000
165 1.5784 1.00000
166 1.5982 1.00000
167 1.6944 1.00000
168 1.8382 1.00000
169 1.8455 1.00000
170 1.8582 1.00000
171 1.9162 1.00000
172 1.9247 1.00000
173 1.9291 1.00000
174 2.0514 1.00000
175 2.0976 1.00000
176 2.1118 1.00000
177 2.2269 1.00000
178 2.2574 1.00000
179 2.2772 1.00000
180 2.3173 1.00000
181 2.3311 1.00000
182 2.3692 1.00000
183 2.4076 1.00000
184 2.4437 1.00000
185 2.4886 1.00000
186 2.5795 1.00000
187 2.5858 1.00000
188 2.6622 1.00000
189 2.6650 1.00000
190 2.6789 1.00000
191 2.7646 1.00000
192 2.8293 1.00000
193 5.6684 0.00000
194 5.7183 0.00000
195 5.7637 0.00000
196 5.7759 0.00000
197 5.7791 0.00000
198 5.7879 0.00000
199 5.8450 0.00000
200 5.8638 0.00000
201 5.8809 0.00000
202 5.9010 0.00000
203 5.9172 0.00000
204 5.9406 0.00000
205 5.9453 0.00000
206 5.9518 0.00000
207 5.9582 0.00000
208 5.9838 0.00000
209 6.0074 0.00000
210 6.1996 0.00000
211 6.2019 0.00000
212 6.2108 0.00000
213 6.2162 0.00000
214 6.2523 0.00000
215 6.2545 0.00000
216 6.2672 0.00000
217 6.2928 0.00000
218 6.3046 0.00000
219 6.3536 0.00000
220 6.3553 0.00000
221 6.3570 0.00000
222 6.3799 0.00000
223 6.3835 0.00000
224 6.4230 0.00000
225 6.4459 0.00000
226 6.4480 0.00000
227 6.4734 0.00000
228 6.5358 0.00000
229 6.6764 0.00000
230 6.7802 0.00000
231 6.7907 0.00000
232 6.8187 0.00000
233 6.9233 0.00000
234 6.9340 0.00000
235 6.9576 0.00000
236 7.0014 0.00000
237 7.0810 0.00000
238 7.1226 0.00000
239 7.1276 0.00000
240 7.2566 0.00000
241 8.0233 0.00000
242 8.0699 0.00000
243 8.0815 0.00000
244 8.1239 0.00000
245 8.3324 0.00000
246 8.3470 0.00000
247 8.4102 0.00000
248 8.4874 0.00000
249 8.5183 0.00000
250 8.5877 0.00000
251 8.7231 0.00000
252 8.7436 0.00000
253 8.7933 0.00000
254 8.8938 0.00000
255 9.0623 0.00000
256 9.1885 0.00000
k-point 6 : 0.4167 0.4167 0.0833
band No. band energies occupation
1 -53.6333 1.00000
2 -53.6308 1.00000
3 -53.6308 1.00000
4 -53.6282 1.00000
5 -53.6179 1.00000
6 -53.6179 1.00000
7 -53.6178 1.00000
8 -53.6163 1.00000
9 -53.6130 1.00000
10 -53.6126 1.00000
11 -53.6120 1.00000
12 -53.6120 1.00000
13 -53.6006 1.00000
14 -53.5990 1.00000
15 -53.5990 1.00000
16 -53.5974 1.00000
17 -30.0277 1.00000
18 -30.0257 1.00000
19 -30.0257 1.00000
20 -30.0237 1.00000
21 -29.9686 1.00000
22 -29.9641 1.00000
23 -29.9641 1.00000
24 -29.9584 1.00000
25 -29.9446 1.00000
26 -29.9391 1.00000
27 -29.9391 1.00000
28 -29.9292 1.00000
29 -29.9255 1.00000
30 -29.9095 1.00000
31 -29.9095 1.00000
32 -29.8900 1.00000
33 -29.8665 1.00000
34 -29.8599 1.00000
35 -29.8587 1.00000
36 -29.8587 1.00000
37 -29.8554 1.00000
38 -29.8554 1.00000
39 -29.8544 1.00000
40 -29.8509 1.00000
41 -29.8490 1.00000
42 -29.8398 1.00000
43 -29.8398 1.00000
44 -29.8364 1.00000
45 -29.8336 1.00000
46 -29.8222 1.00000
47 -29.8222 1.00000
48 -29.8106 1.00000
49 -29.7781 1.00000
50 -29.7759 1.00000
51 -29.7759 1.00000
52 -29.7737 1.00000
53 -29.7586 1.00000
54 -29.7585 1.00000
55 -29.7585 1.00000
56 -29.7562 1.00000
57 -29.7543 1.00000
58 -29.7513 1.00000
59 -29.7513 1.00000
60 -29.7505 1.00000
61 -29.7162 1.00000
62 -29.7145 1.00000
63 -29.7145 1.00000
64 -29.7127 1.00000
65 -14.1624 1.00000
66 -14.0302 1.00000
67 -14.0302 1.00000
68 -13.8835 1.00000
69 -13.7968 1.00000
70 -13.7476 1.00000
71 -13.7476 1.00000
72 -13.6887 1.00000
73 -13.5935 1.00000
74 -13.5432 1.00000
75 -13.5432 1.00000
76 -13.5092 1.00000
77 -13.3526 1.00000
78 -13.3463 1.00000
79 -13.2965 1.00000
80 -13.2965 1.00000
81 -13.2831 1.00000
82 -13.2831 1.00000
83 -13.2434 1.00000
84 -13.2422 1.00000
85 -13.2293 1.00000
86 -13.2180 1.00000
87 -13.2180 1.00000
88 -13.2011 1.00000
89 -13.1472 1.00000
90 -13.1398 1.00000
91 -13.1398 1.00000
92 -13.1168 1.00000
93 -13.0390 1.00000
94 -13.0158 1.00000
95 -13.0158 1.00000
96 -12.9922 1.00000
97 -1.5663 1.00000
98 -1.4968 1.00000
99 -1.4968 1.00000
100 -1.4959 1.00000
101 -1.4906 1.00000
102 -1.4906 1.00000
103 -1.4612 1.00000
104 -1.3516 1.00000
105 -1.2945 1.00000
106 -1.2876 1.00000
107 -1.2555 1.00000
108 -1.2555 1.00000
109 -1.2549 1.00000
110 -1.1672 1.00000
111 -1.1672 1.00000
112 -1.1208 1.00000
113 -0.9453 1.00000
114 -0.9040 1.00000
115 -0.9040 1.00000
116 -0.8730 1.00000
117 -0.4650 1.00000
118 -0.4650 1.00000
119 -0.4160 1.00000
120 -0.3977 1.00000
121 -0.3865 1.00000
122 -0.3499 1.00000
123 -0.2591 1.00000
124 -0.2517 1.00000
125 -0.2517 1.00000
126 -0.2109 1.00000
127 -0.2109 1.00000
128 -0.0875 1.00000
129 0.0445 1.00000
130 0.0881 1.00000
131 0.1535 1.00000
132 0.1535 1.00000
133 0.1601 1.00000
134 0.1601 1.00000
135 0.1782 1.00000
136 0.2440 1.00000
137 0.3015 1.00000
138 0.3015 1.00000
139 0.3328 1.00000
140 0.3399 1.00000
141 0.3431 1.00000
142 0.3746 1.00000
143 0.4016 1.00000
144 0.4016 1.00000
145 0.4020 1.00000
146 0.4573 1.00000
147 0.4573 1.00000
148 0.5138 1.00000
149 0.6434 1.00000
150 0.7466 1.00000
151 0.7466 1.00000
152 0.7676 1.00000
153 0.9361 1.00000
154 0.9706 1.00000
155 0.9706 1.00000
156 0.9789 1.00000
157 1.0523 1.00000
158 1.1094 1.00000
159 1.1094 1.00000
160 1.1276 1.00000
161 1.1876 1.00000
162 1.1876 1.00000
163 1.2827 1.00000
164 1.3000 1.00000
165 1.5526 1.00000
166 1.6437 1.00000
167 1.6437 1.00000
168 1.7164 1.00000
169 1.8714 1.00000
170 1.8869 1.00000
171 1.9055 1.00000
172 1.9055 1.00000
173 1.9880 1.00000
174 2.0078 1.00000
175 2.0078 1.00000
176 2.2047 1.00000
177 2.2372 1.00000
178 2.3266 1.00000
179 2.3266 1.00000
180 2.3491 1.00000
181 2.3865 1.00000
182 2.4702 1.00000
183 2.4702 1.00000
184 2.5059 1.00000
185 2.5896 1.00000
186 2.5896 1.00000
187 2.6080 1.00000
188 2.7093 1.00000
189 2.7093 1.00000
190 2.7128 1.00000
191 2.7380 1.00000
192 2.7910 1.00000
193 5.7027 0.00000
194 5.7266 0.00000
195 5.7266 0.00000
196 5.7381 0.00000
197 5.7813 0.00000
198 5.8127 0.00000
199 5.8125 0.00000
200 5.8327 0.00000
201 5.8538 0.00000
202 5.8780 0.00000
203 5.8834 0.00000
204 5.8833 0.00000
205 5.8913 0.00000
206 5.8913 0.00000
207 5.9208 0.00000
208 5.9219 0.00000
209 6.1321 0.00000
210 6.1963 0.00000
211 6.2061 0.00000
212 6.2061 0.00000
213 6.2044 0.00000
214 6.2242 0.00000
215 6.2336 0.00000
216 6.2335 0.00000
217 6.2381 0.00000
218 6.2641 0.00000
219 6.2640 0.00000
220 6.2698 0.00000
221 6.3272 0.00000
222 6.3975 0.00000
223 6.3973 0.00000
224 6.3991 0.00000
225 6.4301 0.00000
226 6.5256 0.00000
227 6.5254 0.00000
228 6.5393 0.00000
229 6.5616 0.00000
230 6.7103 0.00000
231 6.7102 0.00000
232 6.7579 0.00000
233 6.7579 0.00000
234 6.7659 0.00000
235 6.8327 0.00000
236 6.9067 0.00000
237 6.9160 0.00000
238 6.9828 0.00000
239 6.9828 0.00000
240 7.1205 0.00000
241 8.1468 0.00000
242 8.2354 0.00000
243 8.2367 0.00000
244 8.2718 0.00000
245 8.3540 0.00000
246 8.3566 0.00000
247 8.3581 0.00000
248 8.4387 0.00000
249 8.5015 0.00000
250 8.5772 0.00000
251 8.5782 0.00000
252 8.6632 0.00000
253 9.1564 0.00000
254 9.2746 0.00000
255 9.3080 0.00000
256 9.3620 0.00000
k-point 7 : 0.0833 0.0833 0.2500
band No. band energies occupation
1 -53.6376 1.00000
2 -53.6273 1.00000
3 -53.6273 1.00000
4 -53.6253 1.00000
5 -53.6252 1.00000
6 -53.6252 1.00000
7 -53.6159 1.00000
8 -53.6143 1.00000
9 -53.6120 1.00000
10 -53.6104 1.00000
11 -53.6080 1.00000
12 -53.6046 1.00000
13 -53.6046 1.00000
14 -53.6025 1.00000
15 -53.6025 1.00000
16 -53.5957 1.00000
17 -30.0216 1.00000
18 -30.0144 1.00000
19 -30.0144 1.00000
20 -30.0048 1.00000
21 -30.0048 1.00000
22 -30.0041 1.00000
23 -29.9980 1.00000
24 -29.9922 1.00000
25 -29.9868 1.00000
26 -29.9390 1.00000
27 -29.9348 1.00000
28 -29.9348 1.00000
29 -29.9322 1.00000
30 -29.9322 1.00000
31 -29.8775 1.00000
32 -29.8768 1.00000
33 -29.8708 1.00000
34 -29.8699 1.00000
35 -29.8565 1.00000
36 -29.8514 1.00000
37 -29.8438 1.00000
38 -29.8438 1.00000
39 -29.8422 1.00000
40 -29.8422 1.00000
41 -29.8413 1.00000
42 -29.8393 1.00000
43 -29.8185 1.00000
44 -29.8185 1.00000
45 -29.8180 1.00000
46 -29.8180 1.00000
47 -29.8143 1.00000
48 -29.7769 1.00000
49 -29.7755 1.00000
50 -29.7680 1.00000
51 -29.7680 1.00000
52 -29.7662 1.00000
53 -29.7662 1.00000
54 -29.7625 1.00000
55 -29.7623 1.00000
56 -29.7512 1.00000
57 -29.7471 1.00000
58 -29.7433 1.00000
59 -29.7390 1.00000
60 -29.7390 1.00000
61 -29.7387 1.00000
62 -29.7322 1.00000
63 -29.7322 1.00000
64 -29.7287 1.00000
65 -14.4653 1.00000
66 -14.1891 1.00000
67 -14.0321 1.00000
68 -14.0321 1.00000
69 -13.9967 1.00000
70 -13.9967 1.00000
71 -13.8062 1.00000
72 -13.5553 1.00000
73 -13.4848 1.00000
74 -13.4095 1.00000
75 -13.3505 1.00000
76 -13.3369 1.00000
77 -13.3369 1.00000
78 -13.3297 1.00000
79 -13.3297 1.00000
80 -13.3092 1.00000
81 -13.2590 1.00000
82 -13.2570 1.00000
83 -13.2166 1.00000
84 -13.2057 1.00000
85 -13.2057 1.00000
86 -13.1668 1.00000
87 -13.1668 1.00000
88 -13.1298 1.00000
89 -13.0945 1.00000
90 -13.0945 1.00000
91 -13.0864 1.00000
92 -13.0864 1.00000
93 -13.0241 1.00000
94 -13.0092 1.00000
95 -12.9932 1.00000
96 -12.9764 1.00000
97 -1.4480 1.00000
98 -1.4480 1.00000
99 -1.4196 1.00000
100 -1.3692 1.00000
101 -1.3674 1.00000
102 -1.3511 1.00000
103 -1.3511 1.00000
104 -1.2618 1.00000
105 -1.1080 1.00000
106 -1.1080 1.00000
107 -1.1045 1.00000
108 -1.0289 1.00000
109 -0.9646 1.00000
110 -0.9646 1.00000
111 -0.9536 1.00000
112 -0.9312 1.00000
113 -0.7921 1.00000
114 -0.7753 1.00000
115 -0.7671 1.00000
116 -0.7648 1.00000
117 -0.7349 1.00000
118 -0.6854 1.00000
119 -0.6854 1.00000
120 -0.6748 1.00000
121 -0.6748 1.00000
122 -0.6617 1.00000
123 -0.6617 1.00000
124 -0.6432 1.00000
125 -0.6354 1.00000
126 -0.6237 1.00000
127 -0.6237 1.00000
128 -0.6042 1.00000
129 -0.5853 1.00000
130 -0.5724 1.00000
131 -0.5635 1.00000
132 -0.4382 1.00000
133 -0.1663 1.00000
134 -0.1663 1.00000
135 -0.1552 1.00000
136 -0.1552 1.00000
137 0.1266 1.00000
138 0.1736 1.00000
139 0.3009 1.00000
140 0.3404 1.00000
141 0.5305 1.00000
142 0.5305 1.00000
143 0.7510 1.00000
144 0.7510 1.00000
145 0.8606 1.00000
146 0.8606 1.00000
147 0.9080 1.00000
148 0.9080 1.00000
149 0.9620 1.00000
150 0.9727 1.00000
151 1.0157 1.00000
152 1.0191 1.00000
153 1.0462 1.00000
154 1.0462 1.00000
155 1.0544 1.00000
156 1.1105 1.00000
157 1.1105 1.00000
158 1.1224 1.00000
159 1.1560 1.00000
160 1.3380 1.00000
161 1.4147 1.00000
162 1.4523 1.00000
163 1.4523 1.00000
164 1.5517 1.00000
165 1.5517 1.00000
166 1.5879 1.00000
167 1.6794 1.00000
168 1.6973 1.00000
169 1.8021 1.00000
170 1.9768 1.00000
171 1.9867 1.00000
172 1.9953 1.00000
173 1.9953 1.00000
174 2.0037 1.00000
175 2.0037 1.00000
176 2.0984 1.00000
177 2.0984 1.00000
178 2.1112 1.00000
179 2.1112 1.00000
180 2.1248 1.00000
181 2.2310 1.00000
182 2.2310 1.00000
183 2.2350 1.00000
184 2.2350 1.00000
185 2.5238 1.00000
186 2.6047 1.00000
187 2.7318 1.00000
188 2.7527 1.00000
189 2.7550 1.00000
190 2.7888 1.00000
191 2.8481 1.00000
192 2.8689 1.00000
193 5.0671 0.00000
194 5.2148 0.00000
195 5.4369 0.00000
196 5.5985 0.00000
197 5.9972 0.00000
198 5.9972 0.00000
199 6.0055 0.00000
200 6.0055 0.00000
201 6.0448 0.00000
202 6.0823 0.00000
203 6.1169 0.00000
204 6.1600 0.00000
205 6.1681 0.00000
206 6.1681 0.00000
207 6.1812 0.00000
208 6.1811 0.00000
209 6.2926 0.00000
210 6.2924 0.00000
211 6.2979 0.00000
212 6.2979 0.00000
213 6.3537 0.00000
214 6.3536 0.00000
215 6.3588 0.00000
216 6.3746 0.00000
217 6.3746 0.00000
218 6.3853 0.00000
219 6.4389 0.00000
220 6.4453 0.00000
221 6.4514 0.00000
222 6.4587 0.00000
223 6.5486 0.00000
224 6.5708 0.00000
225 6.7567 0.00000
226 6.7606 0.00000
227 6.8569 0.00000
228 6.8600 0.00000
229 6.9290 0.00000
230 6.9287 0.00000
231 6.9723 0.00000
232 6.9721 0.00000
233 7.1023 0.00000
234 7.1018 0.00000
235 7.1213 0.00000
236 7.1211 0.00000
237 7.4810 0.00000
238 7.4990 0.00000
239 7.5008 0.00000
240 7.5225 0.00000
241 7.5251 0.00000
242 7.6331 0.00000
243 7.7671 0.00000
244 7.9267 0.00000
245 7.9604 0.00000
246 7.9620 0.00000
247 7.9690 0.00000
248 7.9776 0.00000
249 7.9782 0.00000
250 8.2229 0.00000
251 8.6777 0.00000
252 8.7195 0.00000
253 8.7898 0.00000
254 8.9268 0.00000
255 8.9632 0.00000
256 9.0132 0.00000
k-point 8 : 0.2500 0.0833 0.2500
band No. band energies occupation
1 -53.6366 1.00000
2 -53.6299 1.00000
3 -53.6263 1.00000
4 -53.6248 1.00000
5 -53.6242 1.00000
6 -53.6239 1.00000
7 -53.6189 1.00000
8 -53.6169 1.00000
9 -53.6099 1.00000
10 -53.6080 1.00000
11 -53.6079 1.00000
12 -53.6064 1.00000
13 -53.6051 1.00000
14 -53.6030 1.00000
15 -53.6004 1.00000
16 -53.5962 1.00000
17 -30.0213 1.00000
18 -30.0189 1.00000
19 -30.0138 1.00000
20 -30.0090 1.00000
21 -30.0044 1.00000
22 -30.0009 1.00000
23 -29.9901 1.00000
24 -29.9798 1.00000
25 -29.9737 1.00000
26 -29.9445 1.00000
27 -29.9392 1.00000
28 -29.9360 1.00000
29 -29.9281 1.00000
30 -29.9200 1.00000
31 -29.8774 1.00000
32 -29.8767 1.00000
33 -29.8729 1.00000
34 -29.8625 1.00000
35 -29.8612 1.00000
36 -29.8546 1.00000
37 -29.8525 1.00000
38 -29.8512 1.00000
39 -29.8510 1.00000
40 -29.8458 1.00000
41 -29.8409 1.00000
42 -29.8397 1.00000
43 -29.8247 1.00000
44 -29.8238 1.00000
45 -29.8165 1.00000
46 -29.8137 1.00000
47 -29.8101 1.00000
48 -29.7836 1.00000
49 -29.7749 1.00000
50 -29.7700 1.00000
51 -29.7681 1.00000
52 -29.7657 1.00000
53 -29.7647 1.00000
54 -29.7627 1.00000
55 -29.7614 1.00000
56 -29.7575 1.00000
57 -29.7529 1.00000
58 -29.7461 1.00000
59 -29.7392 1.00000
60 -29.7371 1.00000
61 -29.7332 1.00000
62 -29.7304 1.00000
63 -29.7267 1.00000
64 -29.7258 1.00000
65 -14.4077 1.00000
66 -14.1409 1.00000
67 -14.0998 1.00000
68 -13.9917 1.00000
69 -13.9553 1.00000
70 -13.9189 1.00000
71 -13.7626 1.00000
72 -13.5200 1.00000
73 -13.4753 1.00000
74 -13.4609 1.00000
75 -13.4277 1.00000
76 -13.3884 1.00000
77 -13.3625 1.00000
78 -13.3570 1.00000
79 -13.3249 1.00000
80 -13.2961 1.00000
81 -13.2888 1.00000
82 -13.2542 1.00000
83 -13.2391 1.00000
84 -13.2385 1.00000
85 -13.1958 1.00000
86 -13.1945 1.00000
87 -13.1563 1.00000
88 -13.1148 1.00000
89 -13.0939 1.00000
90 -13.0879 1.00000
91 -13.0781 1.00000
92 -13.0605 1.00000
93 -13.0494 1.00000
94 -13.0397 1.00000
95 -13.0093 1.00000
96 -12.9821 1.00000
97 -1.5734 1.00000
98 -1.5318 1.00000
99 -1.5106 1.00000
100 -1.4953 1.00000
101 -1.4411 1.00000
102 -1.3799 1.00000
103 -1.3574 1.00000
104 -1.2860 1.00000
105 -1.1040 1.00000
106 -1.0857 1.00000
107 -1.0071 1.00000
108 -1.0009 1.00000
109 -0.9970 1.00000
110 -0.9638 1.00000
111 -0.9119 1.00000
112 -0.8785 1.00000
113 -0.8279 1.00000
114 -0.7779 1.00000
115 -0.7664 1.00000
116 -0.7555 1.00000
117 -0.7340 1.00000
118 -0.7051 1.00000
119 -0.7048 1.00000
120 -0.6836 1.00000
121 -0.6610 1.00000
122 -0.6173 1.00000
123 -0.6101 1.00000
124 -0.5539 1.00000
125 -0.5534 1.00000
126 -0.5145 1.00000
127 -0.5131 1.00000
128 -0.4390 1.00000
129 -0.4213 1.00000
130 -0.4161 1.00000
131 -0.3152 1.00000
132 -0.3066 1.00000
133 -0.1707 1.00000
134 -0.1664 1.00000
135 -0.1663 1.00000
136 -0.1357 1.00000
137 0.0018 1.00000
138 0.0770 1.00000
139 0.3651 1.00000
140 0.4161 1.00000
141 0.4165 1.00000
142 0.4432 1.00000
143 0.6088 1.00000
144 0.6811 1.00000
145 0.7270 1.00000
146 0.8069 1.00000
147 0.8286 1.00000
148 0.8591 1.00000
149 0.8710 1.00000
150 0.8938 1.00000
151 0.9735 1.00000
152 0.9764 1.00000
153 0.9907 1.00000
154 0.9937 1.00000
155 1.0128 1.00000
156 1.0400 1.00000
157 1.1928 1.00000
158 1.2115 1.00000
159 1.2779 1.00000
160 1.3851 1.00000
161 1.4481 1.00000
162 1.5895 1.00000
163 1.6207 1.00000
164 1.6333 1.00000
165 1.6357 1.00000
166 1.6645 1.00000
167 1.6759 1.00000
168 1.6855 1.00000
169 1.7327 1.00000
170 1.7705 1.00000
171 1.7948 1.00000
172 1.9436 1.00000
173 2.0072 1.00000
174 2.0290 1.00000
175 2.0416 1.00000
176 2.1323 1.00000
177 2.1715 1.00000
178 2.1970 1.00000
179 2.2672 1.00000
180 2.2915 1.00000
181 2.3053 1.00000
182 2.3128 1.00000
183 2.3167 1.00000
184 2.3424 1.00000
185 2.3649 1.00000
186 2.5426 1.00000
187 2.5701 1.00000
188 2.6062 1.00000
189 2.6294 1.00000
190 2.6881 1.00000
191 2.8472 1.00000
192 2.8618 1.00000
193 5.3271 0.00000
194 5.3805 0.00000
195 5.5999 0.00000
196 5.6628 0.00000
197 5.8756 0.00000
198 5.9149 0.00000
199 5.9219 0.00000
200 5.9480 0.00000
201 5.9634 0.00000
202 5.9823 0.00000
203 6.0023 0.00000
204 6.0217 0.00000
205 6.1105 0.00000
206 6.1292 0.00000
207 6.1392 0.00000
208 6.1539 0.00000
209 6.2666 0.00000
210 6.2796 0.00000
211 6.2842 0.00000
212 6.2942 0.00000
213 6.3002 0.00000
214 6.3081 0.00000
215 6.3115 0.00000
216 6.3121 0.00000
217 6.3172 0.00000
218 6.3540 0.00000
219 6.4175 0.00000
220 6.4272 0.00000
221 6.4382 0.00000
222 6.4397 0.00000
223 6.4601 0.00000
224 6.4698 0.00000
225 6.4886 0.00000
226 6.5861 0.00000
227 6.7183 0.00000
228 6.7657 0.00000
229 6.8097 0.00000
230 6.8966 0.00000
231 6.9064 0.00000
232 6.9639 0.00000
233 7.0285 0.00000
234 7.0898 0.00000
235 7.1032 0.00000
236 7.1092 0.00000
237 7.3558 0.00000
238 7.3729 0.00000
239 7.4162 0.00000
240 7.4438 0.00000
241 7.6511 0.00000
242 7.7502 0.00000
243 7.8918 0.00000
244 7.9351 0.00000
245 8.0836 0.00000
246 8.1367 0.00000
247 8.1845 0.00000
248 8.1898 0.00000
249 8.2863 0.00000
250 8.3991 0.00000
251 8.6350 0.00000
252 8.6627 0.00000
253 8.7633 0.00000
254 8.8395 0.00000
255 8.9242 0.00000
256 9.0824 0.00000
k-point 9 : 0.4167 0.0833 0.2500
band No. band energies occupation
1 -53.6349 1.00000
2 -53.6325 1.00000
3 -53.6244 1.00000
4 -53.6241 1.00000
5 -53.6236 1.00000
6 -53.6223 1.00000
7 -53.6219 1.00000
8 -53.6198 1.00000
9 -53.6079 1.00000
10 -53.6078 1.00000
11 -53.6075 1.00000
12 -53.6062 1.00000
13 -53.6057 1.00000
14 -53.6041 1.00000
15 -53.5986 1.00000
16 -53.5971 1.00000
17 -30.0210 1.00000
18 -30.0205 1.00000
19 -30.0128 1.00000
20 -30.0114 1.00000
21 -30.0037 1.00000
22 -30.0027 1.00000
23 -29.9723 1.00000
24 -29.9636 1.00000
25 -29.9582 1.00000
26 -29.9559 1.00000
27 -29.9489 1.00000
28 -29.9447 1.00000
29 -29.9138 1.00000
30 -29.9002 1.00000
31 -29.8943 1.00000
32 -29.8765 1.00000
33 -29.8730 1.00000
34 -29.8727 1.00000
35 -29.8640 1.00000
36 -29.8635 1.00000
37 -29.8501 1.00000
38 -29.8496 1.00000
39 -29.8487 1.00000
40 -29.8478 1.00000
41 -29.8402 1.00000
42 -29.8399 1.00000
43 -29.8362 1.00000
44 -29.8350 1.00000
45 -29.8131 1.00000
46 -29.8100 1.00000
47 -29.8054 1.00000
48 -29.7943 1.00000
49 -29.7737 1.00000
50 -29.7720 1.00000
51 -29.7667 1.00000
52 -29.7637 1.00000
53 -29.7634 1.00000
54 -29.7630 1.00000
55 -29.7629 1.00000
56 -29.7590 1.00000
57 -29.7581 1.00000
58 -29.7527 1.00000
59 -29.7362 1.00000
60 -29.7356 1.00000
61 -29.7298 1.00000
62 -29.7290 1.00000
63 -29.7235 1.00000
64 -29.7233 1.00000
65 -14.3091 1.00000
66 -14.1972 1.00000
67 -14.0717 1.00000
68 -14.0168 1.00000
69 -13.8164 1.00000
70 -13.7777 1.00000
71 -13.6695 1.00000
72 -13.6435 1.00000
73 -13.6010 1.00000
74 -13.5264 1.00000
75 -13.4585 1.00000
76 -13.4171 1.00000
77 -13.3948 1.00000
78 -13.3609 1.00000
79 -13.3504 1.00000
80 -13.3402 1.00000
81 -13.2454 1.00000
82 -13.2398 1.00000
83 -13.2328 1.00000
84 -13.2038 1.00000
85 -13.1938 1.00000
86 -13.1521 1.00000
87 -13.1355 1.00000
88 -13.1319 1.00000
89 -13.0960 1.00000
90 -13.0870 1.00000
91 -13.0817 1.00000
92 -13.0746 1.00000
93 -13.0580 1.00000
94 -13.0573 1.00000
95 -13.0511 1.00000
96 -13.0201 1.00000
97 -1.5116 1.00000
98 -1.4981 1.00000
99 -1.4704 1.00000
100 -1.4551 1.00000
101 -1.4313 1.00000
102 -1.3932 1.00000
103 -1.3865 1.00000
104 -1.2975 1.00000
105 -1.2669 1.00000
106 -1.2626 1.00000
107 -1.2348 1.00000
108 -1.1641 1.00000
109 -1.0977 1.00000
110 -1.0926 1.00000
111 -0.9447 1.00000
112 -0.9354 1.00000
113 -0.7895 1.00000
114 -0.7833 1.00000
115 -0.7504 1.00000
116 -0.7283 1.00000
117 -0.7152 1.00000
118 -0.6962 1.00000
119 -0.6954 1.00000
120 -0.6683 1.00000
121 -0.6478 1.00000
122 -0.6185 1.00000
123 -0.5572 1.00000
124 -0.5381 1.00000
125 -0.4485 1.00000
126 -0.3936 1.00000
127 -0.3931 1.00000
128 -0.3450 1.00000
129 -0.2931 1.00000
130 -0.2353 1.00000
131 -0.1935 1.00000
132 -0.1720 1.00000
133 -0.0654 1.00000
134 0.0260 1.00000
135 0.1253 1.00000
136 0.1993 1.00000
137 0.2392 1.00000
138 0.2595 1.00000
139 0.3233 1.00000
140 0.3333 1.00000
141 0.4544 1.00000
142 0.4922 1.00000
143 0.5476 1.00000
144 0.5605 1.00000
145 0.5617 1.00000
146 0.6019 1.00000
147 0.6458 1.00000
148 0.8541 1.00000
149 0.8734 1.00000
150 0.8772 1.00000
151 0.8993 1.00000
152 0.9039 1.00000
153 0.9414 1.00000
154 0.9415 1.00000
155 0.9893 1.00000
156 0.9895 1.00000
157 1.0812 1.00000
158 1.1155 1.00000
159 1.1571 1.00000
160 1.2268 1.00000
161 1.3064 1.00000
162 1.4299 1.00000
163 1.4587 1.00000
164 1.5148 1.00000
165 1.5953 1.00000
166 1.6479 1.00000
167 1.6535 1.00000
168 1.7825 1.00000
169 1.8698 1.00000
170 1.9559 1.00000
171 1.9794 1.00000
172 2.0108 1.00000
173 2.0398 1.00000
174 2.1144 1.00000
175 2.1327 1.00000
176 2.1909 1.00000
177 2.2350 1.00000
178 2.2644 1.00000
179 2.2702 1.00000
180 2.3232 1.00000
181 2.3278 1.00000
182 2.3673 1.00000
183 2.3722 1.00000
184 2.4176 1.00000
185 2.4355 1.00000
186 2.4571 1.00000
187 2.5201 1.00000
188 2.5277 1.00000
189 2.5969 1.00000
190 2.6025 1.00000
191 2.7724 1.00000
192 2.7781 1.00000
193 5.5482 0.00000
194 5.6481 0.00000
195 5.7155 0.00000
196 5.8081 0.00000
197 5.8322 0.00000
198 5.8435 0.00000
199 5.8732 0.00000
200 5.8749 0.00000
201 5.9050 0.00000
202 5.9249 0.00000
203 5.9411 0.00000
204 5.9572 0.00000
205 6.0162 0.00000
206 6.0277 0.00000
207 6.0368 0.00000
208 6.0549 0.00000
209 6.0774 0.00000
210 6.1542 0.00000
211 6.1557 0.00000
212 6.2153 0.00000
213 6.2380 0.00000
214 6.2866 0.00000
215 6.2884 0.00000
216 6.2898 0.00000
217 6.3050 0.00000
218 6.3105 0.00000
219 6.3128 0.00000
220 6.3287 0.00000
221 6.4322 0.00000
222 6.4339 0.00000
223 6.4376 0.00000
224 6.4507 0.00000
225 6.4508 0.00000
226 6.4929 0.00000
227 6.5649 0.00000
228 6.5664 0.00000
229 6.9020 0.00000
230 6.9800 0.00000
231 6.9843 0.00000
232 7.0151 0.00000
233 7.0217 0.00000
234 7.0592 0.00000
235 7.1147 0.00000
236 7.1619 0.00000
237 7.1652 0.00000
238 7.1860 0.00000
239 7.2688 0.00000
240 7.3035 0.00000
241 7.7276 0.00000
242 7.8066 0.00000
243 7.8085 0.00000
244 7.8687 0.00000
245 8.3760 0.00000
246 8.3821 0.00000
247 8.3897 0.00000
248 8.4123 0.00000
249 8.5237 0.00000
250 8.5388 0.00000
251 8.5517 0.00000
252 8.5822 0.00000
253 8.6217 0.00000
254 8.6575 0.00000
255 8.8187 0.00000
256 9.0604 0.00000
k-point 10 : 0.2500 0.2500 0.2500
band No. band energies occupation
1 -53.6357 1.00000
2 -53.6289 1.00000
3 -53.6289 1.00000
4 -53.6243 1.00000
5 -53.6230 1.00000
6 -53.6230 1.00000
7 -53.6217 1.00000
8 -53.6170 1.00000
9 -53.6103 1.00000
10 -53.6081 1.00000
11 -53.6068 1.00000
12 -53.6068 1.00000
13 -53.6056 1.00000
14 -53.6009 1.00000
15 -53.6009 1.00000
16 -53.5967 1.00000
17 -30.0210 1.00000
18 -30.0184 1.00000
19 -30.0184 1.00000
20 -30.0138 1.00000
21 -29.9934 1.00000
22 -29.9900 1.00000
23 -29.9900 1.00000
24 -29.9757 1.00000
25 -29.9613 1.00000
26 -29.9488 1.00000
27 -29.9335 1.00000
28 -29.9335 1.00000
29 -29.9236 1.00000
30 -29.9236 1.00000
31 -29.8842 1.00000
32 -29.8764 1.00000
33 -29.8749 1.00000
34 -29.8619 1.00000
35 -29.8571 1.00000
36 -29.8539 1.00000
37 -29.8537 1.00000
38 -29.8537 1.00000
39 -29.8536 1.00000
40 -29.8501 1.00000
41 -29.8501 1.00000
42 -29.8459 1.00000
43 -29.8226 1.00000
44 -29.8226 1.00000
45 -29.8191 1.00000
46 -29.8191 1.00000
47 -29.8101 1.00000
48 -29.7886 1.00000
49 -29.7759 1.00000
50 -29.7707 1.00000
51 -29.7707 1.00000
52 -29.7638 1.00000
53 -29.7638 1.00000
54 -29.7628 1.00000
55 -29.7628 1.00000
56 -29.7595 1.00000
57 -29.7525 1.00000
58 -29.7441 1.00000
59 -29.7441 1.00000
60 -29.7424 1.00000
61 -29.7278 1.00000
62 -29.7248 1.00000
63 -29.7248 1.00000
64 -29.7233 1.00000
65 -14.3479 1.00000
66 -14.0865 1.00000
67 -14.0256 1.00000
68 -14.0256 1.00000
69 -13.9144 1.00000
70 -13.9144 1.00000
71 -13.7251 1.00000
72 -13.5804 1.00000
73 -13.4851 1.00000
74 -13.4610 1.00000
75 -13.4368 1.00000
76 -13.3629 1.00000
77 -13.3449 1.00000
78 -13.3449 1.00000
79 -13.3161 1.00000
80 -13.3161 1.00000
81 -13.3061 1.00000
82 -13.2903 1.00000
83 -13.2903 1.00000
84 -13.2427 1.00000
85 -13.2427 1.00000
86 -13.2221 1.00000
87 -13.1968 1.00000
88 -13.1090 1.00000
89 -13.1011 1.00000
90 -13.0874 1.00000
91 -13.0874 1.00000
92 -13.0741 1.00000
93 -13.0402 1.00000
94 -13.0402 1.00000
95 -13.0225 1.00000
96 -12.9719 1.00000
97 -1.5934 1.00000
98 -1.5667 1.00000
99 -1.5667 1.00000
100 -1.5477 1.00000
101 -1.5017 1.00000
102 -1.5017 1.00000
103 -1.4841 1.00000
104 -1.3668 1.00000
105 -1.0492 1.00000
106 -1.0361 1.00000
107 -0.9469 1.00000
108 -0.9465 1.00000
109 -0.9347 1.00000
110 -0.9347 1.00000
111 -0.9238 1.00000
112 -0.9238 1.00000
113 -0.9186 1.00000
114 -0.8411 1.00000
115 -0.8411 1.00000
116 -0.7814 1.00000
117 -0.6610 1.00000
118 -0.5927 1.00000
119 -0.5927 1.00000
120 -0.5250 1.00000
121 -0.5250 1.00000
122 -0.5202 1.00000
123 -0.4969 1.00000
124 -0.4909 1.00000
125 -0.4710 1.00000
126 -0.4030 1.00000
127 -0.4030 1.00000
128 -0.3912 1.00000
129 -0.3372 1.00000
130 -0.3130 1.00000
131 -0.2619 1.00000
132 -0.2574 1.00000
133 -0.1699 1.00000
134 -0.1699 1.00000
135 -0.1268 1.00000
136 -0.1268 1.00000
137 -0.0969 1.00000
138 0.1344 1.00000
139 0.2780 1.00000
140 0.2883 1.00000
141 0.2883 1.00000
142 0.4120 1.00000
143 0.6032 1.00000
144 0.6032 1.00000
145 0.6496 1.00000
146 0.6794 1.00000
147 0.6794 1.00000
148 0.6968 1.00000
149 0.8879 1.00000
150 0.8879 1.00000
151 0.9163 1.00000
152 1.0342 1.00000
153 1.0511 1.00000
154 1.0511 1.00000
155 1.0583 1.00000
156 1.1836 1.00000
157 1.1987 1.00000
158 1.1987 1.00000
159 1.2773 1.00000
160 1.4041 1.00000
161 1.4802 1.00000
162 1.5744 1.00000
163 1.5744 1.00000
164 1.6453 1.00000
165 1.6711 1.00000
166 1.6984 1.00000
167 1.6984 1.00000
168 1.7345 1.00000
169 1.7918 1.00000
170 1.7918 1.00000
171 1.8038 1.00000
172 1.8435 1.00000
173 1.8435 1.00000
174 1.8817 1.00000
175 2.0610 1.00000
176 2.1133 1.00000
177 2.2463 1.00000
178 2.2727 1.00000
179 2.2727 1.00000
180 2.2936 1.00000
181 2.2936 1.00000
182 2.3570 1.00000
183 2.4213 1.00000
184 2.4213 1.00000
185 2.4531 1.00000
186 2.4531 1.00000
187 2.5068 1.00000
188 2.5300 1.00000
189 2.6499 1.00000
190 2.6503 1.00000
191 2.8318 1.00000
192 2.8482 1.00000
193 5.5389 0.00000
194 5.5681 0.00000
195 5.6414 0.00000
196 5.6809 0.00000
197 5.8431 0.00000
198 5.8431 0.00000
199 5.8640 0.00000
200 5.8639 0.00000
201 5.8945 0.00000
202 5.9667 0.00000
203 5.9869 0.00000
204 5.9869 0.00000
205 6.0181 0.00000
206 6.0180 0.00000
207 6.0844 0.00000
208 6.1452 0.00000
209 6.1714 0.00000
210 6.2131 0.00000
211 6.2421 0.00000
212 6.2585 0.00000
213 6.2609 0.00000
214 6.2609 0.00000
215 6.2799 0.00000
216 6.2798 0.00000
217 6.3183 0.00000
218 6.3663 0.00000
219 6.3663 0.00000
220 6.3876 0.00000
221 6.4093 0.00000
222 6.4090 0.00000
223 6.4105 0.00000
224 6.4410 0.00000
225 6.5258 0.00000
226 6.5535 0.00000
227 6.5736 0.00000
228 6.6639 0.00000
229 6.6949 0.00000
230 6.6948 0.00000
231 6.8037 0.00000
232 6.8036 0.00000
233 6.9508 0.00000
234 6.9504 0.00000
235 7.0431 0.00000
236 7.0431 0.00000
237 7.2261 0.00000
238 7.2772 0.00000
239 7.2879 0.00000
240 7.3684 0.00000
241 7.8748 0.00000
242 7.8970 0.00000
243 8.1269 0.00000
244 8.1276 0.00000
245 8.1334 0.00000
246 8.1343 0.00000
247 8.2441 0.00000
248 8.4498 0.00000
249 8.4723 0.00000
250 8.5975 0.00000
251 8.6529 0.00000
252 8.7118 0.00000
253 8.7783 0.00000
254 8.7977 0.00000
255 9.0481 0.00000
256 9.1503 0.00000
k-point 11 : 0.4167 0.2500 0.2500
band No. band energies occupation
1 -53.6339 1.00000
2 -53.6315 1.00000
3 -53.6270 1.00000
4 -53.6245 1.00000
5 -53.6234 1.00000
6 -53.6228 1.00000
7 -53.6212 1.00000
8 -53.6190 1.00000
9 -53.6091 1.00000
10 -53.6082 1.00000
11 -53.6078 1.00000
12 -53.6078 1.00000
13 -53.6035 1.00000
14 -53.6020 1.00000
15 -53.5991 1.00000
16 -53.5976 1.00000
17 -30.0206 1.00000
18 -30.0200 1.00000
19 -30.0174 1.00000
20 -30.0161 1.00000
21 -29.9910 1.00000
22 -29.9902 1.00000
23 -29.9732 1.00000
24 -29.9610 1.00000
25 -29.9584 1.00000
26 -29.9458 1.00000
27 -29.9450 1.00000
28 -29.9321 1.00000
29 -29.9205 1.00000
30 -29.9040 1.00000
31 -29.9026 1.00000
32 -29.8811 1.00000
33 -29.8718 1.00000
34 -29.8710 1.00000
35 -29.8637 1.00000
36 -29.8625 1.00000
37 -29.8546 1.00000
38 -29.8544 1.00000
39 -29.8493 1.00000
40 -29.8484 1.00000
41 -29.8465 1.00000
42 -29.8424 1.00000
43 -29.8337 1.00000
44 -29.8295 1.00000
45 -29.8184 1.00000
46 -29.8134 1.00000
47 -29.8103 1.00000
48 -29.7990 1.00000
49 -29.7751 1.00000
50 -29.7732 1.00000
51 -29.7702 1.00000
52 -29.7673 1.00000
53 -29.7628 1.00000
54 -29.7627 1.00000
55 -29.7612 1.00000
56 -29.7569 1.00000
57 -29.7557 1.00000
58 -29.7504 1.00000
59 -29.7422 1.00000
60 -29.7419 1.00000
61 -29.7243 1.00000
62 -29.7234 1.00000
63 -29.7216 1.00000
64 -29.7212 1.00000
65 -14.2449 1.00000
66 -14.1277 1.00000
67 -14.0065 1.00000
68 -13.9428 1.00000
69 -13.8928 1.00000
70 -13.7747 1.00000
71 -13.7311 1.00000
72 -13.6429 1.00000
73 -13.6041 1.00000
74 -13.5087 1.00000
75 -13.4244 1.00000
76 -13.3936 1.00000
77 -13.3532 1.00000
78 -13.3367 1.00000
79 -13.3364 1.00000
80 -13.3290 1.00000
81 -13.3284 1.00000
82 -13.3035 1.00000
83 -13.2597 1.00000
84 -13.2216 1.00000
85 -13.2131 1.00000
86 -13.2123 1.00000
87 -13.1836 1.00000
88 -13.1604 1.00000
89 -13.1299 1.00000
90 -13.1285 1.00000
91 -13.0755 1.00000
92 -13.0740 1.00000
93 -13.0516 1.00000
94 -13.0474 1.00000
95 -13.0208 1.00000
96 -12.9926 1.00000
97 -1.5780 1.00000
98 -1.5561 1.00000
99 -1.5509 1.00000
100 -1.5249 1.00000
101 -1.5055 1.00000
102 -1.4629 1.00000
103 -1.4377 1.00000
104 -1.3328 1.00000
105 -1.2932 1.00000
106 -1.2754 1.00000
107 -1.2318 1.00000
108 -1.1815 1.00000
109 -0.9642 1.00000
110 -0.9470 1.00000
111 -0.9458 1.00000
112 -0.9364 1.00000
113 -0.9066 1.00000
114 -0.8694 1.00000
115 -0.8014 1.00000
116 -0.7904 1.00000
117 -0.5825 1.00000
118 -0.5740 1.00000
119 -0.5234 1.00000
120 -0.4996 1.00000
121 -0.4753 1.00000
122 -0.4273 1.00000
123 -0.4135 1.00000
124 -0.3774 1.00000
125 -0.3599 1.00000
126 -0.3516 1.00000
127 -0.3451 1.00000
128 -0.3167 1.00000
129 -0.2878 1.00000
130 -0.1891 1.00000
131 -0.1690 1.00000
132 -0.1354 1.00000
133 -0.1154 1.00000
134 0.0178 1.00000
135 0.0858 1.00000
136 0.1838 1.00000
137 0.2118 1.00000
138 0.3120 1.00000
139 0.3188 1.00000
140 0.3267 1.00000
141 0.3961 1.00000
142 0.4206 1.00000
143 0.4493 1.00000
144 0.4521 1.00000
145 0.5142 1.00000
146 0.5260 1.00000
147 0.5589 1.00000
148 0.6403 1.00000
149 0.7426 1.00000
150 0.8152 1.00000
151 0.9017 1.00000
152 0.9663 1.00000
153 0.9747 1.00000
154 1.0099 1.00000
155 1.0935 1.00000
156 1.1039 1.00000
157 1.1423 1.00000
158 1.2414 1.00000
159 1.2524 1.00000
160 1.2562 1.00000
161 1.3171 1.00000
162 1.3532 1.00000
163 1.4236 1.00000
164 1.4415 1.00000
165 1.5239 1.00000
166 1.5671 1.00000
167 1.7692 1.00000
168 1.8254 1.00000
169 1.8384 1.00000
170 1.8457 1.00000
171 1.9034 1.00000
172 1.9354 1.00000
173 1.9670 1.00000
174 2.0259 1.00000
175 2.0960 1.00000
176 2.1147 1.00000
177 2.2777 1.00000
178 2.2882 1.00000
179 2.2925 1.00000
180 2.2980 1.00000
181 2.3095 1.00000
182 2.3432 1.00000
183 2.3806 1.00000
184 2.4788 1.00000
185 2.4882 1.00000
186 2.5288 1.00000
187 2.5718 1.00000
188 2.6304 1.00000
189 2.6396 1.00000
190 2.6537 1.00000
191 2.7759 1.00000
192 2.7784 1.00000
193 5.6706 0.00000
194 5.7057 0.00000
195 5.7595 0.00000
196 5.7661 0.00000
197 5.7847 0.00000
198 5.8165 0.00000
199 5.8355 0.00000
200 5.8477 0.00000
201 5.8767 0.00000
202 5.8770 0.00000
203 5.9460 0.00000
204 5.9499 0.00000
205 5.9531 0.00000
206 5.9655 0.00000
207 6.0094 0.00000
208 6.0123 0.00000
209 6.0208 0.00000
210 6.1651 0.00000
211 6.1849 0.00000
212 6.1994 0.00000
213 6.2266 0.00000
214 6.2422 0.00000
215 6.2445 0.00000
216 6.2693 0.00000
217 6.3113 0.00000
218 6.3276 0.00000
219 6.3589 0.00000
220 6.3603 0.00000
221 6.3686 0.00000
222 6.3755 0.00000
223 6.3927 0.00000
224 6.4060 0.00000
225 6.4142 0.00000
226 6.4291 0.00000
227 6.4488 0.00000
228 6.5240 0.00000
229 6.6888 0.00000
230 6.7642 0.00000
231 6.8187 0.00000
232 6.8322 0.00000
233 6.9168 0.00000
234 6.9227 0.00000
235 6.9632 0.00000
236 7.0233 0.00000
237 7.0881 0.00000
238 7.0948 0.00000
239 7.1263 0.00000
240 7.2304 0.00000
241 7.9805 0.00000
242 7.9838 0.00000
243 8.0526 0.00000
244 8.0574 0.00000
245 8.3120 0.00000
246 8.3435 0.00000
247 8.4548 0.00000
248 8.4699 0.00000
249 8.4993 0.00000
250 8.6301 0.00000
251 8.7674 0.00000
252 8.7948 0.00000
253 8.8632 0.00000
254 8.9254 0.00000
255 9.0334 0.00000
256 9.1796 0.00000
k-point 12 : 0.4167 0.4167 0.2500
band No. band energies occupation
1 -53.6321 1.00000
2 -53.6297 1.00000
3 -53.6297 1.00000
4 -53.6273 1.00000
5 -53.6223 1.00000
6 -53.6213 1.00000
7 -53.6213 1.00000
8 -53.6198 1.00000
9 -53.6091 1.00000
10 -53.6085 1.00000
11 -53.6085 1.00000
12 -53.6084 1.00000
13 -53.6016 1.00000
14 -53.6001 1.00000
15 -53.6001 1.00000
16 -53.5986 1.00000
17 -30.0200 1.00000
18 -30.0192 1.00000
19 -30.0192 1.00000
20 -30.0182 1.00000
21 -29.9810 1.00000
22 -29.9756 1.00000
23 -29.9756 1.00000
24 -29.9645 1.00000
25 -29.9499 1.00000
26 -29.9338 1.00000
27 -29.9338 1.00000
28 -29.9291 1.00000
29 -29.9178 1.00000
30 -29.9135 1.00000
31 -29.9135 1.00000
32 -29.8939 1.00000
33 -29.8683 1.00000
34 -29.8677 1.00000
35 -29.8622 1.00000
36 -29.8622 1.00000
37 -29.8607 1.00000
38 -29.8607 1.00000
39 -29.8593 1.00000
40 -29.8568 1.00000
41 -29.8386 1.00000
42 -29.8320 1.00000
43 -29.8280 1.00000
44 -29.8280 1.00000
45 -29.8203 1.00000
46 -29.8200 1.00000
47 -29.8200 1.00000
48 -29.8085 1.00000
49 -29.7752 1.00000
50 -29.7732 1.00000
51 -29.7732 1.00000
52 -29.7711 1.00000
53 -29.7616 1.00000
54 -29.7607 1.00000
55 -29.7607 1.00000
56 -29.7579 1.00000
57 -29.7521 1.00000
58 -29.7477 1.00000
59 -29.7477 1.00000
60 -29.7454 1.00000
61 -29.7208 1.00000
62 -29.7201 1.00000
63 -29.7201 1.00000
64 -29.7194 1.00000
65 -14.1334 1.00000
66 -14.0049 1.00000
67 -14.0049 1.00000
68 -13.9027 1.00000
69 -13.8602 1.00000
70 -13.8138 1.00000
71 -13.8138 1.00000
72 -13.6767 1.00000
73 -13.5859 1.00000
74 -13.4804 1.00000
75 -13.4804 1.00000
76 -13.4299 1.00000
77 -13.3728 1.00000
78 -13.3447 1.00000
79 -13.3087 1.00000
80 -13.3087 1.00000
81 -13.2872 1.00000
82 -13.2872 1.00000
83 -13.2784 1.00000
84 -13.2663 1.00000
85 -13.2384 1.00000
86 -13.2384 1.00000
87 -13.2209 1.00000
88 -13.1734 1.00000
89 -13.1580 1.00000
90 -13.1130 1.00000
91 -13.1130 1.00000
92 -13.0842 1.00000
93 -13.0532 1.00000
94 -13.0278 1.00000
95 -13.0278 1.00000
96 -13.0033 1.00000
97 -1.5601 1.00000
98 -1.5208 1.00000
99 -1.4984 1.00000
100 -1.4984 1.00000
101 -1.4927 1.00000
102 -1.4927 1.00000
103 -1.4198 1.00000
104 -1.3515 1.00000
105 -1.3249 1.00000
106 -1.3075 1.00000
107 -1.2402 1.00000
108 -1.2402 1.00000
109 -1.2137 1.00000
110 -1.1782 1.00000
111 -1.1782 1.00000
112 -1.1315 1.00000
113 -0.8594 1.00000
114 -0.8259 1.00000
115 -0.8259 1.00000
116 -0.8054 1.00000
117 -0.4624 1.00000
118 -0.4624 1.00000
119 -0.4415 1.00000
120 -0.4263 1.00000
121 -0.4121 1.00000
122 -0.3162 1.00000
123 -0.3162 1.00000
124 -0.3080 1.00000
125 -0.2923 1.00000
126 -0.2773 1.00000
127 -0.2773 1.00000
128 -0.2060 1.00000
129 -0.1755 1.00000
130 0.0474 1.00000
131 0.0474 1.00000
132 0.0568 1.00000
133 0.1393 1.00000
134 0.1393 1.00000
135 0.1829 1.00000
136 0.2342 1.00000
137 0.2482 1.00000
138 0.3057 1.00000
139 0.3057 1.00000
140 0.3422 1.00000
141 0.3663 1.00000
142 0.4198 1.00000
143 0.4198 1.00000
144 0.4779 1.00000
145 0.4838 1.00000
146 0.5766 1.00000
147 0.5876 1.00000
148 0.5876 1.00000
149 0.6866 1.00000
150 0.7743 1.00000
151 0.7743 1.00000
152 0.7744 1.00000
153 0.9099 1.00000
154 0.9745 1.00000
155 0.9745 1.00000
156 1.0306 1.00000
157 1.0606 1.00000
158 1.0695 1.00000
159 1.0695 1.00000
160 1.2268 1.00000
161 1.2349 1.00000
162 1.2854 1.00000
163 1.2854 1.00000
164 1.3743 1.00000
165 1.4535 1.00000
166 1.5772 1.00000
167 1.5772 1.00000
168 1.7619 1.00000
169 1.9050 1.00000
170 1.9133 1.00000
171 1.9867 1.00000
172 1.9867 1.00000
173 2.0048 1.00000
174 2.0048 1.00000
175 2.1069 1.00000
176 2.1849 1.00000
177 2.2364 1.00000
178 2.2603 1.00000
179 2.3351 1.00000
180 2.3351 1.00000
181 2.3362 1.00000
182 2.3377 1.00000
183 2.3377 1.00000
184 2.4520 1.00000
185 2.5919 1.00000
186 2.6525 1.00000
187 2.6525 1.00000
188 2.6938 1.00000
189 2.6938 1.00000
190 2.7210 1.00000
191 2.7543 1.00000
192 2.7551 1.00000
193 5.6960 0.00000
194 5.7219 0.00000
195 5.7218 0.00000
196 5.7380 0.00000
197 5.7488 0.00000
198 5.7703 0.00000
199 5.7701 0.00000
200 5.8063 0.00000
201 5.8899 0.00000
202 5.9156 0.00000
203 5.9155 0.00000
204 5.9181 0.00000
205 5.9467 0.00000
206 5.9466 0.00000
207 5.9468 0.00000
208 6.0105 0.00000
209 6.0882 0.00000
210 6.1376 0.00000
211 6.1600 0.00000
212 6.1690 0.00000
213 6.1690 0.00000
214 6.2210 0.00000
215 6.2224 0.00000
216 6.2221 0.00000
217 6.2705 0.00000
218 6.2871 0.00000
219 6.2869 0.00000
220 6.2952 0.00000
221 6.3226 0.00000
222 6.3432 0.00000
223 6.3431 0.00000
224 6.3641 0.00000
225 6.4320 0.00000
226 6.5267 0.00000
227 6.5791 0.00000
228 6.5789 0.00000
229 6.6074 0.00000
230 6.6994 0.00000
231 6.6992 0.00000
232 6.7865 0.00000
233 6.7864 0.00000
234 6.8006 0.00000
235 6.8006 0.00000
236 6.8973 0.00000
237 6.9394 0.00000
238 6.9521 0.00000
239 6.9520 0.00000
240 7.0901 0.00000
241 8.1129 0.00000
242 8.1426 0.00000
243 8.2102 0.00000
244 8.2114 0.00000
245 8.2479 0.00000
246 8.2481 0.00000
247 8.3329 0.00000
248 8.3812 0.00000
249 8.6082 0.00000
250 8.7305 0.00000
251 8.7377 0.00000
252 8.8295 0.00000
253 9.0148 0.00000
254 9.1346 0.00000
255 9.2098 0.00000
256 9.3327 0.00000
k-point 13 : 0.0833 0.0833 0.4167
band No. band energies occupation
1 -53.6346 1.00000
2 -53.6305 1.00000
3 -53.6267 1.00000
4 -53.6267 1.00000
5 -53.6259 1.00000
6 -53.6259 1.00000
7 -53.6155 1.00000
8 -53.6150 1.00000
9 -53.6114 1.00000
10 -53.6108 1.00000
11 -53.6039 1.00000
12 -53.6039 1.00000
13 -53.6031 1.00000
14 -53.6031 1.00000
15 -53.6029 1.00000
16 -53.5987 1.00000
17 -30.0089 1.00000
18 -30.0089 1.00000
19 -30.0051 1.00000
20 -30.0051 1.00000
21 -30.0023 1.00000
22 -30.0017 1.00000
23 -30.0002 1.00000
24 -29.9903 1.00000
25 -29.9884 1.00000
26 -29.9735 1.00000
27 -29.9400 1.00000
28 -29.9400 1.00000
29 -29.9387 1.00000
30 -29.9387 1.00000
31 -29.8779 1.00000
32 -29.8778 1.00000
33 -29.8697 1.00000
34 -29.8695 1.00000
35 -29.8513 1.00000
36 -29.8483 1.00000
37 -29.8462 1.00000
38 -29.8438 1.00000
39 -29.8434 1.00000
40 -29.8434 1.00000
41 -29.8428 1.00000
42 -29.8428 1.00000
43 -29.8124 1.00000
44 -29.8124 1.00000
45 -29.8124 1.00000
46 -29.8124 1.00000
47 -29.7815 1.00000
48 -29.7730 1.00000
49 -29.7708 1.00000
50 -29.7674 1.00000
51 -29.7674 1.00000
52 -29.7667 1.00000
53 -29.7667 1.00000
54 -29.7662 1.00000
55 -29.7644 1.00000
56 -29.7499 1.00000
57 -29.7487 1.00000
58 -29.7485 1.00000
59 -29.7417 1.00000
60 -29.7401 1.00000
61 -29.7395 1.00000
62 -29.7395 1.00000
63 -29.7369 1.00000
64 -29.7369 1.00000
65 -14.3984 1.00000
66 -14.3041 1.00000
67 -14.0207 1.00000
68 -14.0207 1.00000
69 -14.0077 1.00000
70 -14.0077 1.00000
71 -13.6965 1.00000
72 -13.6100 1.00000
73 -13.4730 1.00000
74 -13.4466 1.00000
75 -13.3400 1.00000
76 -13.3352 1.00000
77 -13.3352 1.00000
78 -13.3326 1.00000
79 -13.3326 1.00000
80 -13.3257 1.00000
81 -13.2411 1.00000
82 -13.2272 1.00000
83 -13.2074 1.00000
84 -13.1980 1.00000
85 -13.1980 1.00000
86 -13.1841 1.00000
87 -13.1841 1.00000
88 -13.1627 1.00000
89 -13.0868 1.00000
90 -13.0868 1.00000
91 -13.0835 1.00000
92 -13.0835 1.00000
93 -13.0195 1.00000
94 -13.0144 1.00000
95 -12.9870 1.00000
96 -12.9811 1.00000
97 -1.4260 1.00000
98 -1.4260 1.00000
99 -1.3929 1.00000
100 -1.3929 1.00000
101 -1.3827 1.00000
102 -1.3605 1.00000
103 -1.3319 1.00000
104 -1.2945 1.00000
105 -1.0535 1.00000
106 -1.0535 1.00000
107 -1.0280 1.00000
108 -1.0144 1.00000
109 -1.0055 1.00000
110 -1.0055 1.00000
111 -0.9933 1.00000
112 -0.9430 1.00000
113 -0.7845 1.00000
114 -0.7762 1.00000
115 -0.7576 1.00000
116 -0.7435 1.00000
117 -0.7054 1.00000
118 -0.6814 1.00000
119 -0.6814 1.00000
120 -0.6776 1.00000
121 -0.6776 1.00000
122 -0.6535 1.00000
123 -0.6462 1.00000
124 -0.6355 1.00000
125 -0.5946 1.00000
126 -0.5943 1.00000
127 -0.5943 1.00000
128 -0.5831 1.00000
129 -0.5696 1.00000
130 -0.5696 1.00000
131 -0.5478 1.00000
132 -0.5038 1.00000
133 -0.2844 1.00000
134 -0.2844 1.00000
135 -0.2756 1.00000
136 -0.2756 1.00000
137 0.0258 1.00000
138 0.0515 1.00000
139 0.2105 1.00000
140 0.2343 1.00000
141 0.7472 1.00000
142 0.7472 1.00000
143 0.8549 1.00000
144 0.8549 1.00000
145 0.8964 1.00000
146 0.8964 1.00000
147 0.9511 1.00000
148 0.9511 1.00000
149 0.9627 1.00000
150 0.9650 1.00000
151 1.0152 1.00000
152 1.0152 1.00000
153 1.0197 1.00000
154 1.0223 1.00000
155 1.0827 1.00000
156 1.0827 1.00000
157 1.2386 1.00000
158 1.2569 1.00000
159 1.2724 1.00000
160 1.2724 1.00000
161 1.3169 1.00000
162 1.3343 1.00000
163 1.3343 1.00000
164 1.4724 1.00000
165 1.5187 1.00000
166 1.5432 1.00000
167 1.7514 1.00000
168 1.7745 1.00000
169 1.8578 1.00000
170 1.8770 1.00000
171 1.9064 1.00000
172 1.9973 1.00000
173 1.9973 1.00000
174 2.0004 1.00000
175 2.0004 1.00000
176 2.0246 1.00000
177 2.1293 1.00000
178 2.1293 1.00000
179 2.1300 1.00000
180 2.1300 1.00000
181 2.3089 1.00000
182 2.3089 1.00000
183 2.3105 1.00000
184 2.3105 1.00000
185 2.6076 1.00000
186 2.6652 1.00000
187 2.6797 1.00000
188 2.6826 1.00000
189 2.6942 1.00000
190 2.7191 1.00000
191 2.7787 1.00000
192 2.7838 1.00000
193 5.1019 0.00000
194 5.1519 0.00000
195 5.5042 0.00000
196 5.5595 0.00000
197 5.9731 0.00000
198 5.9730 0.00000
199 5.9764 0.00000
200 5.9763 0.00000
201 6.1507 0.00000
202 6.1694 0.00000
203 6.1783 0.00000
204 6.1781 0.00000
205 6.1810 0.00000
206 6.1809 0.00000
207 6.2292 0.00000
208 6.2549 0.00000
209 6.2783 0.00000
210 6.2810 0.00000
211 6.3212 0.00000
212 6.3212 0.00000
213 6.3227 0.00000
214 6.3227 0.00000
215 6.3469 0.00000
216 6.3468 0.00000
217 6.3553 0.00000
218 6.3563 0.00000
219 6.3561 0.00000
220 6.3598 0.00000
221 6.4676 0.00000
222 6.4778 0.00000
223 6.5030 0.00000
224 6.5178 0.00000
225 6.8049 0.00000
226 6.8047 0.00000
227 6.8377 0.00000
228 6.8389 0.00000
229 6.9227 0.00000
230 6.9225 0.00000
231 6.9377 0.00000
232 6.9376 0.00000
233 7.1186 0.00000
234 7.1182 0.00000
235 7.1242 0.00000
236 7.1238 0.00000
237 7.4873 0.00000
238 7.4938 0.00000
239 7.5037 0.00000
240 7.5108 0.00000
241 7.5117 0.00000
242 7.5517 0.00000
243 7.8440 0.00000
244 7.9102 0.00000
245 7.9620 0.00000
246 7.9623 0.00000
247 7.9688 0.00000
248 7.9690 0.00000
249 8.0132 0.00000
250 8.1063 0.00000
251 8.6856 0.00000
252 8.7474 0.00000
253 8.7955 0.00000
254 8.8796 0.00000
255 8.9886 0.00000
256 9.0326 0.00000
k-point 14 : 0.2500 0.0833 0.4167
band No. band energies occupation
1 -53.6338 1.00000
2 -53.6298 1.00000
3 -53.6283 1.00000
4 -53.6262 1.00000
5 -53.6257 1.00000
6 -53.6249 1.00000
7 -53.6184 1.00000
8 -53.6176 1.00000
9 -53.6092 1.00000
10 -53.6084 1.00000
11 -53.6044 1.00000
12 -53.6041 1.00000
13 -53.6036 1.00000
14 -53.6031 1.00000
15 -53.6020 1.00000
16 -53.5990 1.00000
17 -30.0089 1.00000
18 -30.0086 1.00000
19 -30.0059 1.00000
20 -30.0049 1.00000
21 -30.0029 1.00000
22 -30.0024 1.00000
23 -29.9978 1.00000
24 -29.9787 1.00000
25 -29.9763 1.00000
26 -29.9760 1.00000
27 -29.9434 1.00000
28 -29.9419 1.00000
29 -29.9308 1.00000
30 -29.9270 1.00000
31 -29.8785 1.00000
32 -29.8784 1.00000
33 -29.8664 1.00000
34 -29.8604 1.00000
35 -29.8602 1.00000
36 -29.8601 1.00000
37 -29.8526 1.00000
38 -29.8521 1.00000
39 -29.8481 1.00000
40 -29.8444 1.00000
41 -29.8439 1.00000
42 -29.8426 1.00000
43 -29.8195 1.00000
44 -29.8194 1.00000
45 -29.8091 1.00000
46 -29.8089 1.00000
47 -29.7860 1.00000
48 -29.7804 1.00000
49 -29.7706 1.00000
50 -29.7682 1.00000
51 -29.7668 1.00000
52 -29.7663 1.00000
53 -29.7662 1.00000
54 -29.7658 1.00000
55 -29.7591 1.00000
56 -29.7555 1.00000
57 -29.7538 1.00000
58 -29.7432 1.00000
59 -29.7428 1.00000
60 -29.7380 1.00000
61 -29.7373 1.00000
62 -29.7357 1.00000
63 -29.7351 1.00000
64 -29.7347 1.00000
65 -14.3429 1.00000
66 -14.2516 1.00000
67 -14.0683 1.00000
68 -14.0290 1.00000
69 -13.9436 1.00000
70 -13.9303 1.00000
71 -13.6572 1.00000
72 -13.5734 1.00000
73 -13.4612 1.00000
74 -13.4491 1.00000
75 -13.4439 1.00000
76 -13.4236 1.00000
77 -13.3512 1.00000
78 -13.3465 1.00000
79 -13.3163 1.00000
80 -13.2949 1.00000
81 -13.2923 1.00000
82 -13.2838 1.00000
83 -13.2261 1.00000
84 -13.2105 1.00000
85 -13.1893 1.00000
86 -13.1858 1.00000
87 -13.1722 1.00000
88 -13.1465 1.00000
89 -13.0802 1.00000
90 -13.0771 1.00000
91 -13.0763 1.00000
92 -13.0609 1.00000
93 -13.0528 1.00000
94 -13.0455 1.00000
95 -12.9998 1.00000
96 -12.9899 1.00000
97 -1.5536 1.00000
98 -1.5257 1.00000
99 -1.5127 1.00000
100 -1.5044 1.00000
101 -1.4214 1.00000
102 -1.3928 1.00000
103 -1.3499 1.00000
104 -1.3177 1.00000
105 -1.0504 1.00000
106 -1.0206 1.00000
107 -1.0157 1.00000
108 -1.0072 1.00000
109 -1.0027 1.00000
110 -0.9855 1.00000
111 -0.9099 1.00000
112 -0.8989 1.00000
113 -0.7567 1.00000
114 -0.7438 1.00000
115 -0.7112 1.00000
116 -0.7018 1.00000
117 -0.7000 1.00000
118 -0.6914 1.00000
119 -0.6863 1.00000
120 -0.6218 1.00000
121 -0.6173 1.00000
122 -0.5971 1.00000
123 -0.5961 1.00000
124 -0.5821 1.00000
125 -0.5696 1.00000
126 -0.5494 1.00000
127 -0.5391 1.00000
128 -0.5238 1.00000
129 -0.5018 1.00000
130 -0.4675 1.00000
131 -0.3144 1.00000
132 -0.3125 1.00000
133 -0.3063 1.00000
134 -0.2963 1.00000
135 -0.2158 1.00000
136 -0.1916 1.00000
137 -0.0764 1.00000
138 -0.0352 1.00000
139 0.3017 1.00000
140 0.3332 1.00000
141 0.4939 1.00000
142 0.5623 1.00000
143 0.6577 1.00000
144 0.7458 1.00000
145 0.7467 1.00000
146 0.8030 1.00000
147 0.8189 1.00000
148 0.8406 1.00000
149 0.8913 1.00000
150 0.9964 1.00000
151 1.0041 1.00000
152 1.0079 1.00000
153 1.0182 1.00000
154 1.0415 1.00000
155 1.1497 1.00000
156 1.1662 1.00000
157 1.1691 1.00000
158 1.2634 1.00000
159 1.3224 1.00000
160 1.3709 1.00000
161 1.4349 1.00000
162 1.5128 1.00000
163 1.5277 1.00000
164 1.5987 1.00000
165 1.6140 1.00000
166 1.6414 1.00000
167 1.6787 1.00000
168 1.6907 1.00000
169 1.7396 1.00000
170 1.7516 1.00000
171 1.7863 1.00000
172 1.8338 1.00000
173 2.0176 1.00000
174 2.0303 1.00000
175 2.0965 1.00000
176 2.1665 1.00000
177 2.1748 1.00000
178 2.1801 1.00000
179 2.3242 1.00000
180 2.3302 1.00000
181 2.3599 1.00000
182 2.3607 1.00000
183 2.3777 1.00000
184 2.3818 1.00000
185 2.4048 1.00000
186 2.4834 1.00000
187 2.5686 1.00000
188 2.5769 1.00000
189 2.5888 1.00000
190 2.5946 1.00000
191 2.7828 1.00000
192 2.7840 1.00000
193 5.3388 0.00000
194 5.3573 0.00000
195 5.6265 0.00000
196 5.6485 0.00000
197 5.8746 0.00000
198 5.8906 0.00000
199 5.9180 0.00000
200 5.9307 0.00000
201 5.9854 0.00000
202 6.0000 0.00000
203 6.0480 0.00000
204 6.0630 0.00000
205 6.1302 0.00000
206 6.1340 0.00000
207 6.1632 0.00000
208 6.1632 0.00000
209 6.2734 0.00000
210 6.2748 0.00000
211 6.2844 0.00000
212 6.2952 0.00000
213 6.2951 0.00000
214 6.2976 0.00000
215 6.3324 0.00000
216 6.3367 0.00000
217 6.3403 0.00000
218 6.3549 0.00000
219 6.3641 0.00000
220 6.3722 0.00000
221 6.4205 0.00000
222 6.4231 0.00000
223 6.4353 0.00000
224 6.4551 0.00000
225 6.5109 0.00000
226 6.5433 0.00000
227 6.7165 0.00000
228 6.7356 0.00000
229 6.8531 0.00000
230 6.8859 0.00000
231 6.9179 0.00000
232 6.9449 0.00000
233 7.0387 0.00000
234 7.0632 0.00000
235 7.1082 0.00000
236 7.1103 0.00000
237 7.3697 0.00000
238 7.3781 0.00000
239 7.4104 0.00000
240 7.4229 0.00000
241 7.6371 0.00000
242 7.6745 0.00000
243 7.8898 0.00000
244 7.9082 0.00000
245 8.1518 0.00000
246 8.1775 0.00000
247 8.1799 0.00000
248 8.1979 0.00000
249 8.2517 0.00000
250 8.3211 0.00000
251 8.6490 0.00000
252 8.7119 0.00000
253 8.7411 0.00000
254 8.8161 0.00000
255 8.9513 0.00000
256 9.0686 0.00000
k-point 15 : 0.4167 0.0833 0.4167
band No. band energies occupation
1 -53.6322 1.00000
2 -53.6303 1.00000
3 -53.6286 1.00000
4 -53.6272 1.00000
5 -53.6238 1.00000
6 -53.6231 1.00000
7 -53.6213 1.00000
8 -53.6205 1.00000
9 -53.6071 1.00000
10 -53.6063 1.00000
11 -53.6055 1.00000
12 -53.6047 1.00000
13 -53.6039 1.00000
14 -53.6035 1.00000
15 -53.6008 1.00000
16 -53.5998 1.00000
17 -30.0081 1.00000
18 -30.0075 1.00000
19 -30.0066 1.00000
20 -30.0045 1.00000
21 -30.0041 1.00000
22 -30.0041 1.00000
23 -29.9889 1.00000
24 -29.9811 1.00000
25 -29.9639 1.00000
26 -29.9618 1.00000
27 -29.9512 1.00000
28 -29.9494 1.00000
29 -29.9126 1.00000
30 -29.9070 1.00000
31 -29.8894 1.00000
32 -29.8829 1.00000
33 -29.8745 1.00000
34 -29.8745 1.00000
35 -29.8651 1.00000
36 -29.8648 1.00000
37 -29.8471 1.00000
38 -29.8470 1.00000
39 -29.8467 1.00000
40 -29.8457 1.00000
41 -29.8434 1.00000
42 -29.8429 1.00000
43 -29.8321 1.00000
44 -29.8319 1.00000
45 -29.8027 1.00000
46 -29.8014 1.00000
47 -29.7942 1.00000
48 -29.7911 1.00000
49 -29.7700 1.00000
50 -29.7691 1.00000
51 -29.7661 1.00000
52 -29.7661 1.00000
53 -29.7646 1.00000
54 -29.7633 1.00000
55 -29.7607 1.00000
56 -29.7592 1.00000
57 -29.7523 1.00000
58 -29.7468 1.00000
59 -29.7379 1.00000
60 -29.7355 1.00000
61 -29.7353 1.00000
62 -29.7352 1.00000
63 -29.7330 1.00000
64 -29.7327 1.00000
65 -14.2498 1.00000
66 -14.1675 1.00000
67 -14.1490 1.00000
68 -14.0848 1.00000
69 -13.8040 1.00000
70 -13.7898 1.00000
71 -13.6301 1.00000
72 -13.6145 1.00000
73 -13.5791 1.00000
74 -13.5043 1.00000
75 -13.4638 1.00000
76 -13.4101 1.00000
77 -13.4095 1.00000
78 -13.3888 1.00000
79 -13.3685 1.00000
80 -13.3574 1.00000
81 -13.2456 1.00000
82 -13.2433 1.00000
83 -13.2260 1.00000
84 -13.2155 1.00000
85 -13.1528 1.00000
86 -13.1469 1.00000
87 -13.1397 1.00000
88 -13.1153 1.00000
89 -13.1069 1.00000
90 -13.0907 1.00000
91 -13.0859 1.00000
92 -13.0788 1.00000
93 -13.0662 1.00000
94 -13.0602 1.00000
95 -13.0391 1.00000
96 -13.0281 1.00000
97 -1.4975 1.00000
98 -1.4849 1.00000
99 -1.4771 1.00000
100 -1.4753 1.00000
101 -1.4203 1.00000
102 -1.4071 1.00000
103 -1.3457 1.00000
104 -1.3043 1.00000
105 -1.2899 1.00000
106 -1.2770 1.00000
107 -1.2092 1.00000
108 -1.1835 1.00000
109 -1.0372 1.00000
110 -1.0301 1.00000
111 -0.9818 1.00000
112 -0.9814 1.00000
113 -0.7400 1.00000
114 -0.7263 1.00000
115 -0.7188 1.00000
116 -0.7059 1.00000
117 -0.6899 1.00000
118 -0.6750 1.00000
119 -0.6076 1.00000
120 -0.5916 1.00000
121 -0.5733 1.00000
122 -0.5698 1.00000
123 -0.5405 1.00000
124 -0.5203 1.00000
125 -0.4682 1.00000
126 -0.4559 1.00000
127 -0.4477 1.00000
128 -0.4430 1.00000
129 -0.4413 1.00000
130 -0.3958 1.00000
131 -0.3822 1.00000
132 -0.3401 1.00000
133 -0.0616 1.00000
134 -0.0132 1.00000
135 0.1747 1.00000
136 0.2047 1.00000
137 0.2174 1.00000
138 0.2297 1.00000
139 0.3232 1.00000
140 0.3284 1.00000
141 0.4079 1.00000
142 0.4373 1.00000
143 0.5461 1.00000
144 0.5657 1.00000
145 0.6184 1.00000
146 0.6356 1.00000
147 0.7108 1.00000
148 0.8210 1.00000
149 0.9173 1.00000
150 0.9285 1.00000
151 0.9301 1.00000
152 0.9329 1.00000
153 0.9405 1.00000
154 1.0900 1.00000
155 1.1005 1.00000
156 1.1020 1.00000
157 1.1106 1.00000
158 1.1540 1.00000
159 1.1692 1.00000
160 1.2585 1.00000
161 1.3279 1.00000
162 1.3848 1.00000
163 1.4687 1.00000
164 1.4986 1.00000
165 1.5119 1.00000
166 1.5393 1.00000
167 1.6442 1.00000
168 1.7096 1.00000
169 1.9517 1.00000
170 1.9522 1.00000
171 1.9823 1.00000
172 2.0137 1.00000
173 2.0714 1.00000
174 2.1053 1.00000
175 2.1921 1.00000
176 2.2496 1.00000
177 2.2560 1.00000
178 2.2723 1.00000
179 2.2848 1.00000
180 2.3029 1.00000
181 2.3690 1.00000
182 2.3709 1.00000
183 2.4039 1.00000
184 2.4169 1.00000
185 2.4258 1.00000
186 2.4350 1.00000
187 2.4386 1.00000
188 2.4737 1.00000
189 2.5738 1.00000
190 2.5796 1.00000
191 2.7203 1.00000
192 2.7241 1.00000
193 5.5669 0.00000
194 5.6001 0.00000
195 5.7319 0.00000
196 5.7638 0.00000
197 5.8525 0.00000
198 5.8624 0.00000
199 5.8794 0.00000
200 5.9093 0.00000
201 5.9102 0.00000
202 5.9182 0.00000
203 5.9530 0.00000
204 5.9569 0.00000
205 6.0370 0.00000
206 6.0401 0.00000
207 6.0454 0.00000
208 6.0526 0.00000
209 6.1002 0.00000
210 6.1281 0.00000
211 6.1968 0.00000
212 6.2122 0.00000
213 6.2686 0.00000
214 6.2983 0.00000
215 6.2998 0.00000
216 6.3006 0.00000
217 6.3052 0.00000
218 6.3232 0.00000
219 6.3284 0.00000
220 6.3378 0.00000
221 6.3786 0.00000
222 6.3852 0.00000
223 6.4096 0.00000
224 6.4110 0.00000
225 6.4670 0.00000
226 6.4984 0.00000
227 6.5150 0.00000
228 6.5278 0.00000
229 6.9348 0.00000
230 6.9619 0.00000
231 7.0142 0.00000
232 7.0328 0.00000
233 7.0347 0.00000
234 7.0485 0.00000
235 7.1007 0.00000
236 7.1253 0.00000
237 7.1884 0.00000
238 7.1998 0.00000
239 7.2557 0.00000
240 7.2725 0.00000
241 7.7149 0.00000
242 7.7471 0.00000
243 7.7968 0.00000
244 7.8227 0.00000
245 8.3820 0.00000
246 8.3856 0.00000
247 8.4357 0.00000
248 8.4702 0.00000
249 8.4956 0.00000
250 8.5419 0.00000
251 8.5478 0.00000
252 8.5546 0.00000
253 8.5828 0.00000
254 8.6028 0.00000
255 8.7187 0.00000
256 8.8547 0.00000
k-point 16 : 0.2500 0.2500 0.4167
band No. band energies occupation
1 -53.6329 1.00000
2 -53.6290 1.00000
3 -53.6273 1.00000
4 -53.6273 1.00000
5 -53.6252 1.00000
6 -53.6252 1.00000
7 -53.6206 1.00000
8 -53.6189 1.00000
9 -53.6083 1.00000
10 -53.6067 1.00000
11 -53.6046 1.00000
12 -53.6046 1.00000
13 -53.6033 1.00000
14 -53.6025 1.00000
15 -53.6025 1.00000
16 -53.5994 1.00000
17 -30.0087 1.00000
18 -30.0087 1.00000
19 -30.0080 1.00000
20 -30.0030 1.00000
21 -30.0008 1.00000
22 -29.9979 1.00000
23 -29.9979 1.00000
24 -29.9781 1.00000
25 -29.9705 1.00000
26 -29.9655 1.00000
27 -29.9345 1.00000
28 -29.9345 1.00000
29 -29.9302 1.00000
30 -29.9302 1.00000
31 -29.8776 1.00000
32 -29.8775 1.00000
33 -29.8753 1.00000
34 -29.8680 1.00000
35 -29.8536 1.00000
36 -29.8534 1.00000
37 -29.8534 1.00000
38 -29.8531 1.00000
39 -29.8529 1.00000
40 -29.8519 1.00000
41 -29.8519 1.00000
42 -29.8498 1.00000
43 -29.8159 1.00000
44 -29.8159 1.00000
45 -29.8153 1.00000
46 -29.8153 1.00000
47 -29.7911 1.00000
48 -29.7864 1.00000
49 -29.7713 1.00000
50 -29.7682 1.00000
51 -29.7682 1.00000
52 -29.7665 1.00000
53 -29.7655 1.00000
54 -29.7655 1.00000
55 -29.7596 1.00000
56 -29.7559 1.00000
57 -29.7541 1.00000
58 -29.7402 1.00000
59 -29.7402 1.00000
60 -29.7388 1.00000
61 -29.7376 1.00000
62 -29.7327 1.00000
63 -29.7327 1.00000
64 -29.7324 1.00000
65 -14.2846 1.00000
66 -14.1953 1.00000
67 -13.9936 1.00000
68 -13.9936 1.00000
69 -13.9532 1.00000
70 -13.9532 1.00000
71 -13.6215 1.00000
72 -13.5509 1.00000
73 -13.5390 1.00000
74 -13.5099 1.00000
75 -13.4234 1.00000
76 -13.3978 1.00000
77 -13.3114 1.00000
78 -13.3114 1.00000
79 -13.3100 1.00000
80 -13.3100 1.00000
81 -13.2985 1.00000
82 -13.2985 1.00000
83 -13.2723 1.00000
84 -13.2723 1.00000
85 -13.2624 1.00000
86 -13.2256 1.00000
87 -13.1738 1.00000
88 -13.1320 1.00000
89 -13.0981 1.00000
90 -13.0867 1.00000
91 -13.0697 1.00000
92 -13.0697 1.00000
93 -13.0527 1.00000
94 -13.0527 1.00000
95 -13.0030 1.00000
96 -12.9853 1.00000
97 -1.5738 1.00000
98 -1.5576 1.00000
99 -1.5497 1.00000
100 -1.5497 1.00000
101 -1.5264 1.00000
102 -1.5264 1.00000
103 -1.4445 1.00000
104 -1.4037 1.00000
105 -1.0527 1.00000
106 -1.0506 1.00000
107 -0.9296 1.00000
108 -0.9296 1.00000
109 -0.9287 1.00000
110 -0.9256 1.00000
111 -0.9256 1.00000
112 -0.9206 1.00000
113 -0.7901 1.00000
114 -0.7046 1.00000
115 -0.7046 1.00000
116 -0.6955 1.00000
117 -0.6340 1.00000
118 -0.5995 1.00000
119 -0.5982 1.00000
120 -0.5792 1.00000
121 -0.5792 1.00000
122 -0.5620 1.00000
123 -0.5429 1.00000
124 -0.5429 1.00000
125 -0.5246 1.00000
126 -0.5246 1.00000
127 -0.4627 1.00000
128 -0.4351 1.00000
129 -0.3173 1.00000
130 -0.3080 1.00000
131 -0.2896 1.00000
132 -0.2590 1.00000
133 -0.2227 1.00000
134 -0.2227 1.00000
135 -0.1927 1.00000
136 -0.1927 1.00000
137 -0.1496 1.00000
138 -0.0321 1.00000
139 0.3108 1.00000
140 0.3755 1.00000
141 0.3946 1.00000
142 0.3946 1.00000
143 0.5044 1.00000
144 0.5044 1.00000
145 0.6413 1.00000
146 0.6664 1.00000
147 0.8049 1.00000
148 0.8049 1.00000
149 0.8772 1.00000
150 0.8772 1.00000
151 0.9977 1.00000
152 1.0408 1.00000
153 1.1604 1.00000
154 1.1604 1.00000
155 1.1888 1.00000
156 1.1888 1.00000
157 1.1902 1.00000
158 1.2267 1.00000
159 1.4348 1.00000
160 1.4419 1.00000
161 1.5453 1.00000
162 1.5453 1.00000
163 1.5504 1.00000
164 1.5656 1.00000
165 1.6260 1.00000
166 1.6260 1.00000
167 1.6399 1.00000
168 1.6506 1.00000
169 1.7627 1.00000
170 1.7627 1.00000
171 1.7740 1.00000
172 1.7740 1.00000
173 1.8521 1.00000
174 1.9375 1.00000
175 2.1741 1.00000
176 2.1844 1.00000
177 2.2319 1.00000
178 2.2730 1.00000
179 2.3073 1.00000
180 2.3073 1.00000
181 2.3150 1.00000
182 2.3150 1.00000
183 2.4603 1.00000
184 2.4603 1.00000
185 2.4627 1.00000
186 2.4627 1.00000
187 2.4710 1.00000
188 2.5209 1.00000
189 2.5710 1.00000
190 2.6110 1.00000
191 2.7776 1.00000
192 2.7826 1.00000
193 5.5424 0.00000
194 5.5516 0.00000
195 5.6603 0.00000
196 5.6732 0.00000
197 5.8432 0.00000
198 5.8432 0.00000
199 5.8517 0.00000
200 5.8517 0.00000
201 5.9690 0.00000
202 5.9903 0.00000
203 5.9912 0.00000
204 5.9911 0.00000
205 6.0035 0.00000
206 6.0034 0.00000
207 6.1239 0.00000
208 6.1663 0.00000
209 6.1899 0.00000
210 6.1991 0.00000
211 6.2148 0.00000
212 6.2701 0.00000
213 6.2700 0.00000
214 6.2723 0.00000
215 6.2784 0.00000
216 6.2783 0.00000
217 6.3387 0.00000
218 6.3449 0.00000
219 6.3515 0.00000
220 6.3754 0.00000
221 6.3827 0.00000
222 6.3823 0.00000
223 6.3968 0.00000
224 6.3966 0.00000
225 6.5481 0.00000
226 6.5563 0.00000
227 6.6027 0.00000
228 6.6357 0.00000
229 6.7262 0.00000
230 6.7261 0.00000
231 6.7663 0.00000
232 6.7662 0.00000
233 6.9791 0.00000
234 6.9790 0.00000
235 7.0127 0.00000
236 7.0126 0.00000
237 7.2469 0.00000
238 7.2654 0.00000
239 7.3061 0.00000
240 7.3362 0.00000
241 7.8257 0.00000
242 7.8403 0.00000
243 8.1074 0.00000
244 8.1080 0.00000
245 8.1093 0.00000
246 8.1112 0.00000
247 8.3417 0.00000
248 8.4190 0.00000
249 8.5287 0.00000
250 8.5872 0.00000
251 8.6128 0.00000
252 8.6257 0.00000
253 8.8967 0.00000
254 8.9807 0.00000
255 9.0401 0.00000
256 9.1341 0.00000
k-point 17 : 0.4167 0.2500 0.4167
band No. band energies occupation
1 -53.6314 1.00000
2 -53.6294 1.00000
3 -53.6278 1.00000
4 -53.6263 1.00000
5 -53.6255 1.00000
6 -53.6235 1.00000
7 -53.6231 1.00000
8 -53.6212 1.00000
9 -53.6068 1.00000
10 -53.6055 1.00000
11 -53.6049 1.00000
12 -53.6043 1.00000
13 -53.6038 1.00000
14 -53.6035 1.00000
15 -53.6012 1.00000
16 -53.6002 1.00000
17 -30.0086 1.00000
18 -30.0085 1.00000
19 -30.0067 1.00000
20 -30.0045 1.00000
21 -29.9994 1.00000
22 -29.9984 1.00000
23 -29.9897 1.00000
24 -29.9827 1.00000
25 -29.9565 1.00000
26 -29.9509 1.00000
27 -29.9431 1.00000
28 -29.9381 1.00000
29 -29.9169 1.00000
30 -29.9107 1.00000
31 -29.8950 1.00000
32 -29.8876 1.00000
33 -29.8737 1.00000
34 -29.8735 1.00000
35 -29.8652 1.00000
36 -29.8644 1.00000
37 -29.8546 1.00000
38 -29.8542 1.00000
39 -29.8520 1.00000
40 -29.8519 1.00000
41 -29.8419 1.00000
42 -29.8409 1.00000
43 -29.8280 1.00000
44 -29.8271 1.00000
45 -29.8091 1.00000
46 -29.8073 1.00000
47 -29.7999 1.00000
48 -29.7967 1.00000
49 -29.7708 1.00000
50 -29.7696 1.00000
51 -29.7668 1.00000
52 -29.7663 1.00000
53 -29.7658 1.00000
54 -29.7637 1.00000
55 -29.7634 1.00000
56 -29.7599 1.00000
57 -29.7482 1.00000
58 -29.7436 1.00000
59 -29.7376 1.00000
60 -29.7368 1.00000
61 -29.7345 1.00000
62 -29.7324 1.00000
63 -29.7305 1.00000
64 -29.7303 1.00000
65 -14.1863 1.00000
66 -14.1042 1.00000
67 -14.0792 1.00000
68 -14.0138 1.00000
69 -13.8597 1.00000
70 -13.8172 1.00000
71 -13.6976 1.00000
72 -13.6527 1.00000
73 -13.5504 1.00000
74 -13.4748 1.00000
75 -13.4427 1.00000
76 -13.3831 1.00000
77 -13.3811 1.00000
78 -13.3582 1.00000
79 -13.3392 1.00000
80 -13.3229 1.00000
81 -13.3021 1.00000
82 -13.2875 1.00000
83 -13.2727 1.00000
84 -13.2501 1.00000
85 -13.2222 1.00000
86 -13.2203 1.00000
87 -13.1525 1.00000
88 -13.1426 1.00000
89 -13.1413 1.00000
90 -13.1036 1.00000
91 -13.0984 1.00000
92 -13.0695 1.00000
93 -13.0542 1.00000
94 -13.0351 1.00000
95 -13.0290 1.00000
96 -13.0083 1.00000
97 -1.5670 1.00000
98 -1.5576 1.00000
99 -1.5465 1.00000
100 -1.5351 1.00000
101 -1.4950 1.00000
102 -1.4795 1.00000
103 -1.4024 1.00000
104 -1.3656 1.00000
105 -1.2916 1.00000
106 -1.2847 1.00000
107 -1.2141 1.00000
108 -1.1965 1.00000
109 -0.9552 1.00000
110 -0.9488 1.00000
111 -0.9418 1.00000
112 -0.9379 1.00000
113 -0.7515 1.00000
114 -0.7231 1.00000
115 -0.6877 1.00000
116 -0.6770 1.00000
117 -0.5922 1.00000
118 -0.5750 1.00000
119 -0.5719 1.00000
120 -0.5469 1.00000
121 -0.4983 1.00000
122 -0.4910 1.00000
123 -0.4731 1.00000
124 -0.4672 1.00000
125 -0.4324 1.00000
126 -0.4247 1.00000
127 -0.4086 1.00000
128 -0.4066 1.00000
129 -0.2835 1.00000
130 -0.2482 1.00000
131 -0.2405 1.00000
132 -0.2057 1.00000
133 -0.1272 1.00000
134 -0.0071 1.00000
135 0.1007 1.00000
136 0.1851 1.00000
137 0.1918 1.00000
138 0.2151 1.00000
139 0.3251 1.00000
140 0.3508 1.00000
141 0.4078 1.00000
142 0.4467 1.00000
143 0.4601 1.00000
144 0.4714 1.00000
145 0.4798 1.00000
146 0.5613 1.00000
147 0.6047 1.00000
148 0.6076 1.00000
149 0.8741 1.00000
150 0.8913 1.00000
151 0.9010 1.00000
152 0.9683 1.00000
153 0.9890 1.00000
154 1.0363 1.00000
155 1.0793 1.00000
156 1.2162 1.00000
157 1.2271 1.00000
158 1.2645 1.00000
159 1.2670 1.00000
160 1.3200 1.00000
161 1.3446 1.00000
162 1.3562 1.00000
163 1.4601 1.00000
164 1.5059 1.00000
165 1.5171 1.00000
166 1.5204 1.00000
167 1.6444 1.00000
168 1.6780 1.00000
169 1.8591 1.00000
170 1.8991 1.00000
171 1.9735 1.00000
172 1.9823 1.00000
173 1.9844 1.00000
174 2.0142 1.00000
175 2.0661 1.00000
176 2.1032 1.00000
177 2.2777 1.00000
178 2.2908 1.00000
179 2.3043 1.00000
180 2.3121 1.00000
181 2.3317 1.00000
182 2.3367 1.00000
183 2.3444 1.00000
184 2.3946 1.00000
185 2.5303 1.00000
186 2.5468 1.00000
187 2.5570 1.00000
188 2.6073 1.00000
189 2.6223 1.00000
190 2.6330 1.00000
191 2.7311 1.00000
192 2.7448 1.00000
193 5.6774 0.00000
194 5.6897 0.00000
195 5.7554 0.00000
196 5.7571 0.00000
197 5.7950 0.00000
198 5.8114 0.00000
199 5.8501 0.00000
200 5.8550 0.00000
201 5.8665 0.00000
202 5.8667 0.00000
203 5.9574 0.00000
204 5.9660 0.00000
205 5.9671 0.00000
206 5.9701 0.00000
207 6.0323 0.00000
208 6.0559 0.00000
209 6.0601 0.00000
210 6.1119 0.00000
211 6.1759 0.00000
212 6.1836 0.00000
213 6.2205 0.00000
214 6.2532 0.00000
215 6.2705 0.00000
216 6.2761 0.00000
217 6.3322 0.00000
218 6.3327 0.00000
219 6.3406 0.00000
220 6.3511 0.00000
221 6.3581 0.00000
222 6.3596 0.00000
223 6.3617 0.00000
224 6.3859 0.00000
225 6.4044 0.00000
226 6.4247 0.00000
227 6.4702 0.00000
228 6.5007 0.00000
229 6.7107 0.00000
230 6.7382 0.00000
231 6.8572 0.00000
232 6.8582 0.00000
233 6.8882 0.00000
234 6.8964 0.00000
235 6.9991 0.00000
236 7.0487 0.00000
237 7.0534 0.00000
238 7.0796 0.00000
239 7.1468 0.00000
240 7.1882 0.00000
241 7.9296 0.00000
242 7.9378 0.00000
243 8.0151 0.00000
244 8.0191 0.00000
245 8.2923 0.00000
246 8.2998 0.00000
247 8.4443 0.00000
248 8.4512 0.00000
249 8.5860 0.00000
250 8.7071 0.00000
251 8.7756 0.00000
252 8.8256 0.00000
253 8.8741 0.00000
254 8.9548 0.00000
255 9.0129 0.00000
256 9.0402 0.00000
k-point 18 : 0.4167 0.4167 0.4167
band No. band energies occupation
1 -53.6297 1.00000
2 -53.6277 1.00000
3 -53.6277 1.00000
4 -53.6264 1.00000
5 -53.6255 1.00000
6 -53.6248 1.00000
7 -53.6248 1.00000
8 -53.6229 1.00000
9 -53.6060 1.00000
10 -53.6050 1.00000
11 -53.6050 1.00000
12 -53.6043 1.00000
13 -53.6034 1.00000
14 -53.6021 1.00000
15 -53.6021 1.00000
16 -53.6010 1.00000
17 -30.0080 1.00000
18 -30.0072 1.00000
19 -30.0072 1.00000
20 -30.0055 1.00000
21 -29.9948 1.00000
22 -29.9915 1.00000
23 -29.9915 1.00000
24 -29.9860 1.00000
25 -29.9421 1.00000
26 -29.9350 1.00000
27 -29.9271 1.00000
28 -29.9271 1.00000
29 -29.9199 1.00000
30 -29.9199 1.00000
31 -29.9086 1.00000
32 -29.9005 1.00000
33 -29.8710 1.00000
34 -29.8705 1.00000
35 -29.8645 1.00000
36 -29.8645 1.00000
37 -29.8633 1.00000
38 -29.8633 1.00000
39 -29.8616 1.00000
40 -29.8599 1.00000
41 -29.8322 1.00000
42 -29.8306 1.00000
43 -29.8200 1.00000
44 -29.8200 1.00000
45 -29.8182 1.00000
46 -29.8182 1.00000
47 -29.8096 1.00000
48 -29.8069 1.00000
49 -29.7705 1.00000
50 -29.7690 1.00000
51 -29.7690 1.00000
52 -29.7668 1.00000
53 -29.7657 1.00000
54 -29.7645 1.00000
55 -29.7645 1.00000
56 -29.7621 1.00000
57 -29.7435 1.00000
58 -29.7401 1.00000
59 -29.7401 1.00000
60 -29.7379 1.00000
61 -29.7310 1.00000
62 -29.7296 1.00000
63 -29.7296 1.00000
64 -29.7289 1.00000
65 -14.0774 1.00000
66 -13.9986 1.00000
67 -13.9567 1.00000
68 -13.9567 1.00000
69 -13.8902 1.00000
70 -13.8902 1.00000
71 -13.8154 1.00000
72 -13.7526 1.00000
73 -13.4955 1.00000
74 -13.4230 1.00000
75 -13.4098 1.00000
76 -13.4098 1.00000
77 -13.3607 1.00000
78 -13.3502 1.00000
79 -13.3502 1.00000
80 -13.3301 1.00000
81 -13.3080 1.00000
82 -13.3054 1.00000
83 -13.2767 1.00000
84 -13.2767 1.00000
85 -13.2599 1.00000
86 -13.2599 1.00000
87 -13.2100 1.00000
88 -13.1944 1.00000
89 -13.1163 1.00000
90 -13.0802 1.00000
91 -13.0802 1.00000
92 -13.0801 1.00000
93 -13.0522 1.00000
94 -13.0503 1.00000
95 -13.0503 1.00000
96 -13.0242 1.00000
97 -1.5499 1.00000
98 -1.5375 1.00000
99 -1.4983 1.00000
100 -1.4983 1.00000
101 -1.4958 1.00000
102 -1.4958 1.00000
103 -1.3775 1.00000
104 -1.3498 1.00000
105 -1.3426 1.00000
106 -1.3390 1.00000
107 -1.2176 1.00000
108 -1.2176 1.00000
109 -1.1957 1.00000
110 -1.1957 1.00000
111 -1.1779 1.00000
112 -1.1505 1.00000
113 -0.7023 1.00000
114 -0.6853 1.00000
115 -0.6847 1.00000
116 -0.6847 1.00000
117 -0.5416 1.00000
118 -0.5109 1.00000
119 -0.5109 1.00000
120 -0.4914 1.00000
121 -0.4154 1.00000
122 -0.4114 1.00000
123 -0.4114 1.00000
124 -0.4048 1.00000
125 -0.3671 1.00000
126 -0.3599 1.00000
127 -0.3599 1.00000
128 -0.3328 1.00000
129 -0.1130 1.00000
130 -0.0120 1.00000
131 0.0638 1.00000
132 0.0638 1.00000
133 0.1106 1.00000
134 0.1106 1.00000
135 0.1990 1.00000
136 0.2225 1.00000
137 0.2315 1.00000
138 0.2856 1.00000
139 0.3229 1.00000
140 0.3229 1.00000
141 0.3647 1.00000
142 0.3647 1.00000
143 0.4152 1.00000
144 0.4874 1.00000
145 0.5399 1.00000
146 0.5537 1.00000
147 0.7212 1.00000
148 0.7212 1.00000
149 0.7781 1.00000
150 0.7781 1.00000
151 0.7814 1.00000
152 0.7856 1.00000
153 0.9397 1.00000
154 0.9881 1.00000
155 0.9881 1.00000
156 1.0185 1.00000
157 1.0213 1.00000
158 1.0213 1.00000
159 1.0921 1.00000
160 1.1634 1.00000
161 1.3488 1.00000
162 1.4120 1.00000
163 1.4174 1.00000
164 1.4174 1.00000
165 1.5110 1.00000
166 1.5110 1.00000
167 1.5135 1.00000
168 1.6496 1.00000
169 1.9617 1.00000
170 1.9931 1.00000
171 1.9931 1.00000
172 2.0476 1.00000
173 2.0476 1.00000
174 2.0794 1.00000
175 2.1028 1.00000
176 2.1928 1.00000
177 2.2144 1.00000
178 2.2320 1.00000
179 2.2628 1.00000
180 2.2628 1.00000
181 2.2895 1.00000
182 2.2940 1.00000
183 2.3121 1.00000
184 2.3121 1.00000
185 2.6510 1.00000
186 2.6781 1.00000
187 2.6781 1.00000
188 2.6833 1.00000
189 2.6833 1.00000
190 2.6918 1.00000
191 2.7313 1.00000
192 2.7465 1.00000
193 5.6948 0.00000
194 5.7081 0.00000
195 5.7228 0.00000
196 5.7227 0.00000
197 5.7381 0.00000
198 5.7380 0.00000
199 5.7612 0.00000
200 5.7774 0.00000
201 5.9538 0.00000
202 5.9638 0.00000
203 5.9636 0.00000
204 5.9848 0.00000
205 5.9867 0.00000
206 5.9866 0.00000
207 6.0038 0.00000
208 6.0228 0.00000
209 6.0630 0.00000
210 6.0815 0.00000
211 6.1149 0.00000
212 6.1436 0.00000
213 6.1436 0.00000
214 6.1783 0.00000
215 6.1782 0.00000
216 6.2097 0.00000
217 6.2969 0.00000
218 6.2986 0.00000
219 6.2970 0.00000
220 6.3042 0.00000
221 6.3037 0.00000
222 6.3139 0.00000
223 6.3142 0.00000
224 6.3135 0.00000
225 6.4734 0.00000
226 6.5068 0.00000
227 6.6321 0.00000
228 6.6320 0.00000
229 6.6731 0.00000
230 6.6735 0.00000
231 6.6734 0.00000
232 6.7431 0.00000
233 6.8378 0.00000
234 6.8377 0.00000
235 6.8426 0.00000
236 6.8766 0.00000
237 6.8988 0.00000
238 6.8987 0.00000
239 6.9831 0.00000
240 7.0390 0.00000
241 8.0761 0.00000
242 8.0773 0.00000
243 8.1822 0.00000
244 8.1827 0.00000
245 8.1871 0.00000
246 8.1875 0.00000
247 8.3098 0.00000
248 8.3183 0.00000
249 8.7539 0.00000
250 8.8653 0.00000
251 8.8820 0.00000
252 8.8895 0.00000
253 8.9772 0.00000
254 9.0323 0.00000
255 9.1020 0.00000
256 9.2987 0.00000
--------------------------------------------------------------------------------------------------------
soft charge-density along one line, spin component 1
0 1 2 3 4 5 6 7 8 9
total charge-density along one line
soft charge-density along one line, spin component 2
0 1 2 3 4 5 6 7 8 9
total charge-density along one line
pseudopotential strength for first ion, spin component: 1
-3.123 -22.511 -0.000 0.000 0.000 0.000 -0.000 -0.000
-22.511 10.103 -0.000 0.000 0.000 -0.000 0.000 0.000
-0.000 -0.000 -25.742 -0.000 -0.000 9.393 0.000 0.000
0.000 0.000 -0.000 -25.766 -0.000 0.000 9.408 0.000
0.000 0.000 -0.000 -0.000 -25.742 0.000 0.000 9.393
0.000 -0.000 9.393 0.000 0.000 5.479 -0.000 -0.000
-0.000 0.000 0.000 9.408 0.000 -0.000 5.473 -0.000
-0.000 0.000 0.000 0.000 9.393 -0.000 -0.000 5.479
-0.000 -0.000 -0.000 -0.000 0.000 0.000 0.000 -0.000
-0.000 -0.000 -0.005 0.000 -0.000 0.002 -0.000 0.000
-0.010 -0.003 0.000 0.000 -0.000 -0.000 -0.000 0.000
-0.000 -0.000 -0.000 -0.000 0.005 0.000 0.000 -0.002
0.000 0.000 0.000 0.005 0.000 -0.000 -0.002 -0.000
-0.000 -0.000 -0.000 -0.000 0.000 0.000 0.000 -0.000
-0.000 -0.000 -0.007 0.000 -0.000 0.003 -0.000 0.000
-0.012 -0.003 0.000 0.000 -0.000 -0.000 -0.000 0.000
-0.000 -0.000 -0.000 -0.000 0.007 0.000 0.000 -0.003
0.000 0.000 0.000 0.007 0.000 -0.000 -0.003 -0.000
pseudopotential strength for first ion, spin component: 2
-3.123 -22.511 -0.000 0.000 0.000 0.000 -0.000 -0.000
-22.511 10.103 -0.000 0.000 0.000 -0.000 0.000 0.000
-0.000 -0.000 -25.742 -0.000 -0.000 9.393 0.000 0.000
0.000 0.000 -0.000 -25.766 -0.000 0.000 9.408 0.000
0.000 0.000 -0.000 -0.000 -25.742 0.000 0.000 9.393
0.000 -0.000 9.393 0.000 0.000 5.479 -0.000 -0.000
-0.000 0.000 0.000 9.408 0.000 -0.000 5.473 -0.000
-0.000 0.000 0.000 0.000 9.393 -0.000 -0.000 5.479
-0.000 -0.000 -0.000 -0.000 0.000 0.000 0.000 -0.000
-0.000 -0.000 -0.005 0.000 -0.000 0.002 -0.000 0.000
-0.010 -0.003 0.000 0.000 -0.000 -0.000 -0.000 0.000
-0.000 -0.000 -0.000 -0.000 0.005 0.000 0.000 -0.002
0.000 0.000 0.000 0.005 0.000 -0.000 -0.002 -0.000
-0.000 -0.000 -0.000 -0.000 0.000 0.000 0.000 -0.000
-0.000 -0.000 -0.007 0.000 -0.000 0.003 -0.000 0.000
-0.012 -0.003 0.000 0.000 -0.000 -0.000 -0.000 0.000
-0.000 -0.000 -0.000 -0.000 0.007 0.000 0.000 -0.003
0.000 0.000 0.000 0.007 0.000 -0.000 -0.003 -0.000
total augmentation occupancy for first ion, spin component: 1
1.990 -0.111 0.000 -0.000 0.000 0.000 0.000 0.000 -0.000 -0.000 -0.004 0.000 0.000 -0.000 -0.000 0.004
-0.111 1.430 0.000 0.000 0.000 0.000 -0.000 0.000 0.000 0.000 -0.096 0.000 0.000 0.000 -0.000 0.071
0.000 0.000 1.967 0.000 0.000 -0.072 -0.000 0.000 -0.000 0.027 0.000 -0.000 0.000 0.000 -0.025 -0.000
-0.000 0.000 0.000 1.968 0.000 -0.000 -0.072 -0.000 0.000 0.000 0.000 0.000 -0.027 -0.000 0.000 -0.000
0.000 0.000 0.000 0.000 1.967 0.000 -0.000 -0.072 0.000 0.000 -0.000 -0.027 0.000 0.000 0.000 -0.000
0.000 0.000 -0.072 -0.000 0.000 0.187 -0.000 0.000 0.000 0.269 0.000 0.000 -0.000 -0.000 -0.172 0.000
0.000 -0.000 -0.000 -0.072 -0.000 -0.000 0.176 -0.000 -0.000 -0.000 0.000 0.000 -0.203 0.000 0.000 -0.000
0.000 0.000 0.000 -0.000 -0.072 0.000 -0.000 0.187 -0.000 -0.000 0.000 -0.269 -0.000 0.000 0.000 -0.000
-0.000 0.000 -0.000 0.000 0.000 0.000 -0.000 -0.000 2.070 0.000 0.000 0.000 0.000 -1.084 -0.000 -0.000
-0.000 0.000 0.027 0.000 0.000 0.269 -0.000 -0.000 0.000 2.623 0.000 0.000 -0.000 -0.000 -1.530 -0.000
-0.004 -0.096 0.000 0.000 -0.000 0.000 -0.000 0.000 0.000 0.000 6.911 -0.000 -0.000 -0.000 -0.000 -4.295
0.000 0.000 -0.000 0.000 -0.027 0.000 0.000 -0.269 0.000 0.000 -0.000 2.623 -0.000 -0.000 -0.000 0.000
0.000 -0.000 0.000 -0.027 0.000 -0.000 -0.203 -0.000 0.000 -0.000 0.000 -0.000 7.751 0.000 0.000 0.000
-0.000 0.000 0.000 -0.000 0.000 -0.000 0.000 0.000 -1.084 -0.000 -0.000 -0.000 0.000 0.573 0.000 0.000
-0.000 -0.000 -0.025 0.000 0.000 -0.172 0.000 0.000 -0.000 -1.530 -0.000 -0.000 0.000 0.000 0.912 0.000
0.004 0.071 -0.000 0.000 -0.000 0.000 -0.000 -0.000 -0.000 -0.000 -4.295 0.000 -0.000 0.000 0.000 2.732
0.000 0.000 -0.000 0.000 0.025 0.000 -0.000 0.172 -0.000 -0.000 0.000 -1.530 0.000 0.000 0.000 0.000
0.000 -0.000 -0.000 0.024 0.000 -0.000 0.142 0.000 0.000 0.000 -0.000 -0.000 -4.918 -0.000 -0.000 0.000
total augmentation occupancy for first ion, spin component: 2
0.000 0.000 0.000 -0.000 0.000 0.000 -0.000 0.000 0.000 0.000 -0.000 0.000 -0.000 0.000 0.000 0.000
0.000 -0.000 0.000 -0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -0.000
0.000 0.000 -0.000 0.000 0.000 -0.000 -0.000 0.000 0.000 0.000 0.000 -0.000 0.000 -0.000 -0.000 -0.000
-0.000 -0.000 0.000 0.000 0.000 -0.000 0.000 0.000 0.000 -0.000 0.000 0.000 0.000 0.000 0.000 -0.000
0.000 0.000 0.000 0.000 -0.000 0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 0.000 0.000 -0.000
0.000 0.000 -0.000 -0.000 0.000 -0.000 -0.000 0.000 -0.000 0.000 0.000 -0.000 -0.000 0.000 -0.000 0.000
-0.000 0.000 -0.000 0.000 -0.000 -0.000 -0.000 -0.000 0.000 0.000 -0.000 -0.000 -0.000 0.000 -0.000 0.000
0.000 0.000 0.000 0.000 -0.000 0.000 -0.000 -0.000 -0.000 0.000 0.000 -0.000 0.000 0.000 -0.000 0.000
0.000 0.000 0.000 0.000 -0.000 -0.000 0.000 -0.000 -0.000 0.000 0.000 -0.000 -0.000 0.000 -0.000 0.000
0.000 0.000 0.000 -0.000 -0.000 0.000 0.000 0.000 0.000 -0.000 0.000 0.000 0.000 -0.000 0.000 -0.000
-0.000 0.000 0.000 0.000 -0.000 0.000 -0.000 0.000 0.000 0.000 -0.000 -0.000 -0.000 -0.000 0.000 0.000
0.000 0.000 -0.000 0.000 -0.000 -0.000 -0.000 -0.000 -0.000 0.000 -0.000 -0.000 -0.000 0.000 -0.000 -0.000
-0.000 0.000 0.000 0.000 -0.000 -0.000 -0.000 0.000 -0.000 0.000 -0.000 -0.000 0.000 0.000 -0.000 -0.000
0.000 0.000 -0.000 0.000 0.000 0.000 0.000 0.000 0.000 -0.000 -0.000 0.000 0.000 -0.000 0.000 0.000
0.000 0.000 -0.000 0.000 0.000 -0.000 -0.000 -0.000 -0.000 0.000 0.000 -0.000 -0.000 0.000 -0.000 -0.000
0.000 -0.000 -0.000 -0.000 -0.000 0.000 0.000 0.000 0.000 -0.000 0.000 -0.000 -0.000 0.000 -0.000 -0.000
-0.000 -0.000 -0.000 0.000 0.000 0.000 0.000 0.000 -0.000 0.000 -0.000 0.000 -0.000 0.000 -0.000 -0.000
0.000 0.000 0.000 -0.000 -0.000 -0.000 0.000 -0.000 0.000 0.000 -0.000 -0.000 -0.000 -0.000 0.000 -0.000
------------------------ aborting loop because EDIFF is reached ----------------------------------------
CHARGE: cpu time 1.8240: real time 1.8243
FORLOC: cpu time 0.0265: real time 0.0265
FORNL : cpu time 20.5662: real time 20.5680
STRESS: cpu time 31.2161: real time 31.2199
FORCOR: cpu time 0.1769: real time 0.1769
FORHAR: cpu time 0.0338: real time 0.0354
MIXING: cpu time 0.0069: real time 0.0069
OFIELD: cpu time 0.0001: real time 0.0001
FORCE on cell =-STRESS in cart. coord. units (eV):
Direction XX YY ZZ XY YZ ZX
--------------------------------------------------------------------------------------
Alpha Z 1383.33758 1383.33758 1383.33758
Ewald -9729.52124 -9729.52124 -6672.27983 -0.00000 0.00000 0.00000
Hartree 3244.64834 3244.64834 5292.61877 -0.00000 -0.00000 -0.00000
E(xc) -1972.15698 -1972.15698 -1971.26596 -0.00000 0.00000 -0.00000
Local 109.38205 109.38205 -4970.23877 -0.00000 -0.00000 -0.00000
n-local -1255.46174 -1253.04192 -1254.30517 0.21139 0.11744 0.10783
augment 1171.19590 1171.19590 1166.93785 0.00000 0.00000 0.00000
Kinetic 7038.04758 7025.90951 7007.11287 -0.55003 -0.20491 -0.19401
Fock 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000
-------------------------------------------------------------------------------------
Total -15.3876306 -15.3876306 -18.0826492 0.0000000 0.0000000 0.0000000
in kB -42.9735295 -42.9735295 -50.4999947 0.0000000 0.0000000 0.0000000
external PRESSURE = -45.4823513 kB Pullay stress = 0.0000000 kB
VOLUME and BASIS-vectors are now :
-----------------------------------------------------------------------------
energy-cutoff : 550.00
volume of cell : 573.70
direct lattice vectors reciprocal lattice vectors
7.669588725 0.000000000 0.000000000 0.130385088 0.000000000 0.000000000
0.000000000 7.669588725 0.000000000 0.000000000 0.130385088 -0.000000000
0.000000000 0.000000000 9.752976022 0.000000000 0.000000000 0.102532806
length of vectors
7.669588725 7.669588725 9.752976022 0.130385088 0.130385088 0.102532806
FORCES acting on ions
electron-ion (+dipol) ewald-force non-local-force convergence-correction
-----------------------------------------------------------------------------------------------
0.218E-12 0.225E-11 -.303E-12 0.556E-13 0.499E-13 -.533E-13 -.271E-19 -.271E-19 0.867E-18 0.494E-12 0.638E-13 -.812E-12
0.295E-12 0.534E-12 -.119E-11 0.517E-13 0.790E-13 -.595E-13 -.210E-18 -.610E-19 0.867E-18 0.334E-12 -.117E-12 0.168E-13
-.248E-13 -.534E-12 0.100E-11 0.924E-13 0.124E-12 0.114E-12 0.407E-19 -.156E-18 0.173E-17 0.685E-13 -.471E-13 0.966E-12
-.213E-13 0.101E-11 -.816E-12 0.110E-12 -.165E-14 -.728E-13 0.881E-19 -.316E-23 -.434E-17 -.277E-12 -.972E-13 0.647E-13
0.905E-12 -.192E-10 0.350E-12 0.755E-13 0.689E-13 0.284E-13 -.136E-18 -.339E-18 0.347E-17 0.452E-13 0.979E-13 -.128E-11
0.886E-12 0.534E-12 -.272E-10 0.962E-13 -.533E-14 -.373E-13 -.678E-20 -.678E-19 0.130E-16 -.293E-12 -.920E-13 0.301E-12
0.572E-12 -.593E-12 -.448E-11 0.853E-13 0.320E-13 0.213E-13 0.108E-18 0.122E-18 0.173E-17 -.953E-14 -.518E-13 0.611E-12
0.555E-12 0.575E-11 -.291E-11 0.117E-12 0.243E-13 -.213E-13 -.136E-18 -.678E-19 0.911E-17 -.172E-12 -.546E-13 0.276E-12
0.162E-12 -.291E-11 -.606E-12 0.319E-13 0.530E-13 -.213E-13 0.610E-19 -.129E-18 -.390E-17 0.525E-12 -.644E-13 -.793E-12
0.306E-12 0.522E-11 0.110E-11 0.526E-13 0.977E-14 -.329E-13 -.339E-19 -.407E-19 0.520E-17 0.364E-12 -.176E-12 0.102E-12
-.201E-13 0.119E-12 0.100E-11 0.746E-13 -.355E-13 0.782E-13 -.108E-18 0.881E-19 -.160E-16 0.658E-13 -.712E-13 0.799E-12
-.367E-13 0.154E-11 -.769E-12 0.853E-13 0.851E-13 -.639E-13 0.163E-18 0.678E-19 0.304E-17 -.257E-12 -.110E-12 -.308E-13
0.957E-12 -.842E-11 0.156E-11 0.460E-13 0.140E-13 0.568E-13 0.813E-19 0.169E-18 -.824E-17 -.875E-14 -.377E-13 -.126E-11
0.912E-12 0.208E-11 -.134E-10 0.848E-13 0.906E-13 -.551E-13 0.813E-19 -.542E-19 0.130E-17 -.340E-12 -.222E-12 0.367E-12
0.574E-12 -.551E-11 -.205E-11 0.853E-13 0.568E-13 0.568E-13 0.210E-18 -.176E-18 -.390E-17 -.248E-13 -.371E-13 0.439E-12
0.556E-12 0.682E-11 -.604E-11 0.853E-13 -.160E-15 0.568E-13 0.949E-19 -.169E-18 0.564E-17 -.204E-12 -.101E-12 0.188E-12
0.230E-13 0.534E-12 -.952E+02 -.835E-13 -.202E-13 0.102E+03 -.678E-20 0.135E-18 -.665E+01 0.255E-14 -.628E-13 0.897E-04
0.133E-12 -.949E-12 -.952E+02 -.110E-13 -.660E-13 0.102E+03 0.142E-18 -.471E-20 -.665E+01 0.195E-12 0.222E-12 0.897E-04
0.862E-13 0.593E-13 0.952E+02 -.984E-14 -.187E-13 -.102E+03 -.136E-19 -.885E-20 0.665E+01 0.291E-12 0.824E-13 -.897E-04
0.316E-14 -.297E-12 0.952E+02 -.131E-12 -.187E-13 -.102E+03 -.953E-20 0.122E-18 0.665E+01 0.241E-12 -.820E-13 -.897E-04
0.925E-17 0.297E-12 -.952E+02 -.638E-13 0.266E-14 0.102E+03 0.805E-20 -.814E-19 -.665E+01 -.229E-13 -.101E-12 0.897E-04
-.296E-14 -.237E-12 -.952E+02 -.213E-13 -.213E-13 0.102E+03 -.190E-18 -.470E-21 -.665E+01 -.141E-12 0.138E-12 0.897E-04
-.494E-13 0.296E-12 0.952E+02 0.187E-13 -.367E-14 -.102E+03 -.881E-19 0.513E-20 0.665E+01 0.638E-14 0.118E-12 -.897E-04
0.129E-12 -.196E-11 0.952E+02 -.978E-13 -.214E-13 -.102E+03 0.614E-20 -.673E-20 0.665E+01 0.977E-14 -.571E-13 -.897E-04
0.163E-12 0.385E-11 -.952E+02 -.711E-13 -.315E-13 0.102E+03 0.123E-19 0.169E-18 -.665E+01 -.348E-12 -.387E-13 0.897E-04
0.395E-12 0.320E-11 -.952E+02 -.178E-14 0.343E-13 0.102E+03 -.203E-19 0.504E-20 -.665E+01 -.212E-12 0.220E-12 0.897E-04
0.386E-12 0.593E-13 0.952E+02 -.187E-13 -.426E-13 -.102E+03 0.142E-18 -.419E-20 0.665E+01 -.631E-13 0.109E-12 -.897E-04
0.106E-12 -.297E-12 0.952E+02 -.112E-12 -.711E-14 -.102E+03 -.826E-20 0.428E-22 0.665E+01 -.222E-12 -.674E-13 -.897E-04
0.244E-12 0.237E-12 -.952E+02 -.142E-13 -.266E-13 0.102E+03 -.699E-20 -.149E-18 -.665E+01 -.582E-13 -.912E-13 0.897E-04
0.306E-12 0.362E-16 -.952E+02 0.000E+00 0.142E-13 0.102E+03 0.678E-20 -.301E-20 -.665E+01 -.269E-13 0.460E-13 0.897E-04
0.280E-12 -.154E-11 0.952E+02 0.107E-13 -.488E-13 -.102E+03 -.339E-19 0.894E-21 0.665E+01 0.745E-13 0.130E-12 -.897E-04
0.141E-12 0.474E-11 0.952E+02 -.532E-13 0.624E-14 -.102E+03 -.593E-20 0.610E-19 0.665E+01 0.259E-12 -.638E-13 -.897E-04
-.117E-13 0.474E-12 -.952E+02 -.853E-13 -.698E-14 0.102E+03 0.112E-19 -.366E-18 -.665E+01 0.452E-13 -.767E-13 0.897E-04
0.128E-12 0.830E-12 -.952E+02 -.489E-13 -.266E-13 0.102E+03 -.881E-19 -.132E-20 -.665E+01 0.187E-12 -.365E-13 0.897E-04
0.929E-13 0.296E-12 0.952E+02 -.277E-13 -.799E-14 -.102E+03 -.474E-19 0.174E-20 0.665E+01 0.309E-12 0.572E-15 -.897E-04
-.411E-14 0.237E-12 0.952E+02 -.127E-12 -.373E-13 -.102E+03 0.142E-19 -.673E-20 0.665E+01 0.245E-12 -.894E-13 -.897E-04
-.702E-14 0.474E-12 -.952E+02 -.571E-13 -.266E-14 0.102E+03 0.199E-19 -.142E-18 -.665E+01 0.119E-14 -.899E-13 0.897E-04
0.343E-14 0.237E-12 -.952E+02 -.284E-13 -.639E-13 0.102E+03 -.949E-19 0.715E-20 -.665E+01 -.141E-12 -.705E-14 0.897E-04
-.510E-13 0.415E-12 0.952E+02 0.711E-14 0.532E-14 -.102E+03 0.678E-20 0.174E-20 0.665E+01 0.230E-14 0.211E-13 -.897E-04
0.365E-13 0.225E-11 0.952E+02 -.890E-13 -.213E-13 -.102E+03 -.699E-20 -.338E-19 0.665E+01 0.958E-13 -.493E-13 -.897E-04
0.184E-12 0.445E-11 -.952E+02 -.711E-13 -.320E-13 0.102E+03 -.112E-19 0.609E-19 -.665E+01 -.388E-12 -.646E-13 0.897E-04
0.405E-12 -.611E-11 -.952E+02 -.142E-13 -.205E-13 0.102E+03 0.136E-19 -.640E-20 -.665E+01 -.214E-12 -.249E-13 0.897E-04
0.378E-12 0.314E-11 0.952E+02 -.131E-13 -.320E-13 -.102E+03 0.203E-19 0.470E-21 0.665E+01 -.775E-13 -.598E-13 -.897E-04
0.120E-12 -.237E-11 0.952E+02 -.870E-13 -.888E-14 -.102E+03 -.127E-19 0.543E-19 0.665E+01 -.233E-12 -.827E-13 -.897E-04
0.251E-12 -.771E-12 -.952E+02 -.143E-13 -.320E-13 0.102E+03 -.699E-20 -.204E-19 -.665E+01 -.881E-13 -.796E-13 0.897E-04
0.290E-12 -.219E-11 -.952E+02 -.711E-14 0.711E-14 0.102E+03 0.000E+00 -.102E-19 -.665E+01 -.377E-13 0.607E-13 0.897E-04
0.289E-12 -.119E-11 0.952E+02 0.000E+00 -.496E-13 -.102E+03 0.407E-19 0.682E-20 0.665E+01 0.711E-13 -.121E-13 -.897E-04
0.231E-12 -.308E-11 0.952E+02 -.427E-13 0.720E-14 -.102E+03 0.150E-19 -.163E-18 0.665E+01 0.166E-12 -.475E-13 -.897E-04
-----------------------------------------------------------------------------------------------
0.115E-10 -.623E-11 -.280E-10 -.136E-12 0.538E-13 -.213E-12 0.792E-19 -.122E-17 -.888E-15 0.241E-12 -.125E-11 -.373E-12
POSITION TOTAL-FORCE (eV/Angst)
-----------------------------------------------------------------------------------
1.91740 1.91740 4.87649 -0.000000 0.000000 -0.000000
1.91740 0.00000 7.31473 -0.000000 -0.000000 -0.000000
-0.00000 -0.00000 0.00000 0.000000 0.000000 -0.000000
-0.00000 1.91740 2.43824 0.000000 -0.000000 -0.000000
5.75219 1.91740 4.87649 -0.000000 -0.000000 -0.000000
5.75219 0.00000 7.31473 0.000000 -0.000000 -0.000000
3.83479 0.00000 0.00000 -0.000000 0.000000 -0.000000
3.83479 1.91740 2.43824 -0.000000 0.000000 -0.000000
1.91740 5.75219 4.87649 0.000000 -0.000000 -0.000000
1.91740 3.83479 7.31473 -0.000000 -0.000000 -0.000000
0.00000 3.83479 0.00000 0.000000 0.000000 -0.000000
-0.00000 5.75219 2.43824 -0.000000 0.000000 -0.000000
5.75219 5.75219 4.87649 -0.000000 0.000000 -0.000000
5.75219 3.83479 7.31473 0.000000 -0.000000 -0.000000
3.83479 3.83479 0.00000 0.000000 -0.000000 -0.000000
3.83479 5.75219 2.43824 0.000000 -0.000000 -0.000000
0.00000 1.91740 4.46188 0.000000 -0.000000 -0.200702
1.91740 1.91740 6.90012 -0.000000 -0.000000 -0.200702
1.91740 0.00000 5.29110 0.000000 0.000000 0.200702
-0.00000 0.00000 7.72934 -0.000000 0.000000 0.200702
1.91740 0.00000 9.33836 0.000000 -0.000000 -0.200702
-0.00000 0.00000 2.02363 0.000000 -0.000000 -0.200702
-0.00000 1.91740 0.41461 0.000000 0.000000 0.200702
1.91740 1.91740 2.85286 -0.000000 0.000000 0.200702
3.83479 1.91740 4.46188 0.000000 -0.000000 -0.200702
5.75219 1.91740 6.90012 -0.000000 -0.000000 -0.200702
5.75219 0.00000 5.29110 -0.000000 0.000000 0.200702
3.83479 0.00000 7.72934 -0.000000 0.000000 0.200702
5.75219 0.00000 9.33836 0.000000 -0.000000 -0.200702
3.83479 0.00000 2.02363 0.000000 -0.000000 -0.200702
3.83479 1.91740 0.41461 0.000000 0.000000 0.200702
5.75219 1.91740 2.85286 -0.000000 0.000000 0.200702
0.00000 5.75219 4.46188 0.000000 -0.000000 -0.200702
1.91740 5.75219 6.90012 -0.000000 -0.000000 -0.200702
1.91740 3.83479 5.29110 0.000000 0.000000 0.200702
0.00000 3.83479 7.72934 -0.000000 0.000000 0.200702
1.91740 3.83479 9.33836 -0.000000 -0.000000 -0.200702
0.00000 3.83479 2.02363 -0.000000 -0.000000 -0.200702
0.00000 5.75219 0.41461 0.000000 0.000000 0.200702
1.91740 5.75219 2.85286 -0.000000 0.000000 0.200702
3.83479 5.75219 4.46188 -0.000000 -0.000000 -0.200702
5.75219 5.75219 6.90012 0.000000 -0.000000 -0.200702
5.75219 3.83479 5.29110 -0.000000 0.000000 0.200702
3.83479 3.83479 7.72934 -0.000000 0.000000 0.200702
5.75219 3.83479 9.33836 0.000000 -0.000000 -0.200702
3.83479 3.83479 2.02363 -0.000000 -0.000000 -0.200702
3.83479 5.75219 0.41461 0.000000 0.000000 0.200702
5.75219 5.75219 2.85286 -0.000000 0.000000 0.200702
-----------------------------------------------------------------------------------
total drift: 0.000000 -0.000000 -0.000000
--------------------------------------------------------------------------------------------------------
FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
---------------------------------------------------
free energy TOTEN = -430.7037965818 eV
energy without entropy= -430.7037965818 energy(sigma->0) = -430.70379658
d Force =-0.7038614E-02[-0.212E-01, 0.713E-02] d Energy =-0.6505589E-01 0.580E-01
d Force = 0.1094634E+02[ 0.107E+02, 0.111E+02] d Ewald =-0.3535549E+03 0.365E+03
--------------------------------------------------------------------------------------------------------
POTLOK: cpu time 0.7679: real time 0.7686
--------------------------------------------------------------------------------------------------------
Steepest descent step on ions:
trial-energy change: 0.065056 1 .order 0.056961 -0.591539 0.705461
(g-gl).g = 0.592E+00 g.g = 0.592E+00 gl.gl = 0.000E+00
g(Force) = 0.703E-02 g(Stress)= 0.585E+00 ortho = 0.000E+00
gamma = 0.00000
trial = 1.00000
opt step = 0.44683 (harmonic = 0.45608) maximal distance =0.00145460
next E = -430.900288 (d E = -0.13144)
--------------------------------------------------------------------------------------------------------
WAVPRE: cpu time 0.0201: real time 0.0230
FEWALD: cpu time 0.0031: real time 0.0031
GENKIN: cpu time 0.0482: real time 0.0482
ORTHCH: cpu time 4.2016: real time 4.2032
LOOP+: cpu time 975.1849: real time 975.4917
--------------------------------------- Iteration 3( 1) ---------------------------------------
POTLOK: cpu time 0.2145: real time 0.2212
SETDIJ: cpu time 0.5991: real time 0.5993
EDDAV: cpu time 56.7077: real time 56.7407
CHARGE: cpu time 1.8446: real time 1.8450
MIXING: cpu time 0.0182: real time 0.0182
--------------------------------------------
LOOP: cpu time 59.3840: real time 59.4243
eigenvalue-minimisations : 23368
total energy-change (2. order) :-0.1548939E+01 (-0.4227066E+01)
number of electron 383.9999999 magnetization 0.0000000
augmentation part 75.8311741 magnetization -0.0000316
free energy = -0.432252735666E+03 energy without entropy= -0.432252735666E+03
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 3( 2) ---------------------------------------
POTLOK: cpu time 0.1891: real time 0.1949
SETDIJ: cpu time 0.5993: real time 0.5993
EDDIAG: cpu time 8.8839: real time 8.8850
RMM-DIIS: cpu time 36.1254: real time 36.1293
ORTHCH: cpu time 1.9714: real time 1.9717
CHARGE: cpu time 1.8207: real time 1.8213
MIXING: cpu time 0.0183: real time 0.0183
--------------------------------------------
LOOP: cpu time 49.6081: real time 49.6197
eigenvalue-minimisations : 22807
total energy-change (2. order) : 0.1176340E+01 (-0.4379452E+00)
number of electron 383.9999999 magnetization -0.0000000
augmentation part 76.5210039 magnetization 0.0000662
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.5047
1.5047
free energy = -0.431076395267E+03 energy without entropy= -0.431076395267E+03
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 3( 3) ---------------------------------------
POTLOK: cpu time 0.1828: real time 0.1841
SETDIJ: cpu time 0.5999: real time 0.5999
EDDIAG: cpu time 8.8895: real time 8.8913
RMM-DIIS: cpu time 35.9813: real time 35.9848
ORTHCH: cpu time 1.9990: real time 1.9992
CHARGE: cpu time 1.8240: real time 1.8246
MIXING: cpu time 0.0171: real time 0.0172
--------------------------------------------
LOOP: cpu time 49.4936: real time 49.5011
eigenvalue-minimisations : 22803
total energy-change (2. order) : 0.1518992E+00 (-0.2088156E+00)
number of electron 383.9999999 magnetization -0.0000000
augmentation part 76.5280337 magnetization 0.0000799
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.0731
1.5145 0.6317
free energy = -0.430924496109E+03 energy without entropy= -0.430924496109E+03
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 3( 4) ---------------------------------------
POTLOK: cpu time 0.1875: real time 0.1943
SETDIJ: cpu time 0.6029: real time 0.6029
EDDIAG: cpu time 8.9580: real time 8.9590
RMM-DIIS: cpu time 35.8566: real time 35.8602
ORTHCH: cpu time 1.9674: real time 1.9676
CHARGE: cpu time 1.8332: real time 1.8339
MIXING: cpu time 0.0183: real time 0.0183
--------------------------------------------
LOOP: cpu time 49.4239: real time 49.4361
eigenvalue-minimisations : 22686
total energy-change (2. order) : 0.3166910E-01 (-0.1575469E-01)
number of electron 383.9999999 magnetization 0.0000000
augmentation part 76.5707867 magnetization 0.0001667
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.3697
1.7530 1.7530 0.6032
free energy = -0.430892827004E+03 energy without entropy= -0.430892827004E+03
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 3( 5) ---------------------------------------
POTLOK: cpu time 0.1859: real time 0.1861
SETDIJ: cpu time 0.5991: real time 0.5991
EDDIAG: cpu time 8.8795: real time 8.8808
RMM-DIIS: cpu time 34.2650: real time 34.2690
ORTHCH: cpu time 1.9871: real time 1.9873
CHARGE: cpu time 1.8284: real time 1.8289
MIXING: cpu time 0.0198: real time 0.0198
--------------------------------------------
LOOP: cpu time 47.7649: real time 47.7710
eigenvalue-minimisations : 21573
total energy-change (2. order) :-0.7806229E-02 (-0.1134733E-01)
number of electron 383.9999999 magnetization 0.0000000
augmentation part 76.4545762 magnetization 0.0000763
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.2495
1.7899 0.7136 1.2473 1.2473
free energy = -0.430900633233E+03 energy without entropy= -0.430900633233E+03
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 3( 6) ---------------------------------------
POTLOK: cpu time 0.1866: real time 0.1926
SETDIJ: cpu time 0.6117: real time 0.6118
EDDIAG: cpu time 8.9855: real time 8.9877
RMM-DIIS: cpu time 37.1095: real time 37.1139
ORTHCH: cpu time 1.9579: real time 1.9581
CHARGE: cpu time 1.8305: real time 1.8310
MIXING: cpu time 0.0187: real time 0.0187
--------------------------------------------
LOOP: cpu time 50.7004: real time 50.7137
eigenvalue-minimisations : 23455
total energy-change (2. order) : 0.3640762E-02 (-0.3620590E-02)
number of electron 383.9999999 magnetization 0.0000000
augmentation part 76.3820257 magnetization 0.0000291
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.2194
1.5654 1.5654 1.4398 0.7814 0.7453
free energy = -0.430896992471E+03 energy without entropy= -0.430896992471E+03
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 3( 7) ---------------------------------------
POTLOK: cpu time 0.1859: real time 0.1879
SETDIJ: cpu time 0.5997: real time 0.5998
EDDIAG: cpu time 8.8643: real time 8.8650
RMM-DIIS: cpu time 38.7219: real time 38.7278
ORTHCH: cpu time 1.9908: real time 1.9910
CHARGE: cpu time 1.8296: real time 1.8302
MIXING: cpu time 0.0183: real time 0.0183
--------------------------------------------
LOOP: cpu time 52.2105: real time 52.2200
eigenvalue-minimisations : 24550
total energy-change (2. order) :-0.3895732E-03 (-0.2713935E-03)
number of electron 383.9999999 magnetization -0.0000000
augmentation part 76.3693794 magnetization -0.0000075
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.6293
2.7733 2.7733 1.2854 1.1195 1.1195 0.7047
free energy = -0.430897382044E+03 energy without entropy= -0.430897382044E+03
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 3( 8) ---------------------------------------
POTLOK: cpu time 0.2005: real time 0.2075
SETDIJ: cpu time 0.6026: real time 0.6027
EDDIAG: cpu time 8.9281: real time 8.9297
RMM-DIIS: cpu time 38.4178: real time 38.4214
ORTHCH: cpu time 1.9297: real time 1.9299
CHARGE: cpu time 1.8178: real time 1.8183
MIXING: cpu time 0.0187: real time 0.0187
--------------------------------------------
LOOP: cpu time 51.9152: real time 51.9282
eigenvalue-minimisations : 24275
total energy-change (2. order) :-0.1744507E-02 (-0.7573786E-03)
number of electron 383.9999999 magnetization -0.0000000
augmentation part 76.3144231 magnetization -0.0000054
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.4046
2.3299 2.3299 1.5191 1.1278 1.1278 0.7434 0.6540
free energy = -0.430899126551E+03 energy without entropy= -0.430899126551E+03
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 3( 9) ---------------------------------------
POTLOK: cpu time 0.1820: real time 0.1824
SETDIJ: cpu time 0.6035: real time 0.6036
EDDIAG: cpu time 8.8094: real time 8.8102
WARNING in EDDRMM: call to ZHEGV failed, returncode = 8 4 16
RMM-DIIS: cpu time 41.8834: real time 41.8879
ORTHCH: cpu time 1.9798: real time 1.9800
CHARGE: cpu time 1.8455: real time 1.8460
MIXING: cpu time 0.0190: real time 0.0190
--------------------------------------------
LOOP: cpu time 55.3225: real time 55.3289
eigenvalue-minimisations : 26400
total energy-change (2. order) : 0.5513546E-05 (-0.1714239E-03)
number of electron 383.9999999 magnetization -0.0000000
augmentation part 76.2973810 magnetization -0.0000242
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.4120
2.3136 2.3136 2.2619 1.0998 1.0998 0.9011 0.6531 0.6531
free energy = -0.430899121037E+03 energy without entropy= -0.430899121037E+03
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 3( 10) ---------------------------------------
POTLOK: cpu time 0.2732: real time 0.2788
SETDIJ: cpu time 0.6183: real time 0.6183
EDDIAG: cpu time 12.4614: real time 12.4626
WARNING in EDDRMM: call to ZHEGV failed, returncode = 8 4 15
RMM-DIIS: cpu time 42.6403: real time 42.6484
ORTHCH: cpu time 1.9805: real time 1.9807
CHARGE: cpu time 1.8288: real time 1.8306
MIXING: cpu time 0.0190: real time 0.0190
--------------------------------------------
LOOP: cpu time 59.8214: real time 59.8384
eigenvalue-minimisations : 26973
total energy-change (2. order) :-0.5079492E-04 (-0.5876758E-04)
number of electron 383.9999999 magnetization -0.0000000
augmentation part 76.2861835 magnetization -0.0000222
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.3383
2.4022 2.4022 2.1842 1.1390 1.1390 0.7907 0.6631 0.6620 0.6620
free energy = -0.430899171832E+03 energy without entropy= -0.430899171832E+03
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 3( 11) ---------------------------------------
POTLOK: cpu time 0.1846: real time 0.1871
SETDIJ: cpu time 0.6028: real time 0.6029
EDDIAG: cpu time 8.8925: real time 8.8932
WARNING in EDDRMM: call to ZHEGV failed, returncode = 8 4 9
WARNING in EDDRMM: call to ZHEGV failed, returncode = 6 3 14
WARNING in EDDRMM: call to ZHEGV failed, returncode = 6 3 10
WARNING in EDDRMM: call to ZHEGV failed, returncode = 6 3 9
WARNING in EDDRMM: call to ZHEGV failed, returncode = 6 3 9
RMM-DIIS: cpu time 38.4075: real time 38.4135
ORTHCH: cpu time 1.9821: real time 1.9823
CHARGE: cpu time 1.8521: real time 1.8527
MIXING: cpu time 0.0190: real time 0.0190
--------------------------------------------
LOOP: cpu time 51.9406: real time 51.9507
eigenvalue-minimisations : 24147
total energy-change (2. order) :-0.2550572E-04 (-0.2163841E-04)
number of electron 383.9999999 magnetization -0.0000000
augmentation part 76.2800864 magnetization -0.0000120
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.5396
3.8116 2.6593 1.7253 1.7253 1.1284 1.1284 0.9363 0.9363 0.7045 0.6408
free energy = -0.430899197338E+03 energy without entropy= -0.430899197338E+03
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 3( 12) ---------------------------------------
POTLOK: cpu time 0.1965: real time 0.2044
SETDIJ: cpu time 0.6036: real time 0.6036
EDDIAG: cpu time 8.8643: real time 8.8654
WARNING in EDDRMM: call to ZHEGV failed, returncode = 6 3 11
WARNING in EDDRMM: call to ZHEGV failed, returncode = 6 3 14
WARNING in EDDRMM: call to ZHEGV failed, returncode = 6 3 11
RMM-DIIS: cpu time 36.8580: real time 36.8643
ORTHCH: cpu time 1.9657: real time 1.9659
CHARGE: cpu time 1.8166: real time 1.8171
MIXING: cpu time 0.0184: real time 0.0184
--------------------------------------------
LOOP: cpu time 50.3230: real time 50.3391
eigenvalue-minimisations : 23137
total energy-change (2. order) :-0.1006547E-04 (-0.9952162E-05)
number of electron 383.9999999 magnetization -0.0000000
augmentation part 76.2762669 magnetization 0.0000028
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.5914
4.4852 2.5694 2.0246 2.0246 1.1553 1.0688 1.0688 0.8868 0.8868 0.6933
0.6420
free energy = -0.430899207403E+03 energy without entropy= -0.430899207403E+03
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 3( 13) ---------------------------------------
POTLOK: cpu time 0.1776: real time 0.1810
SETDIJ: cpu time 0.6055: real time 0.6060
EDDIAG: cpu time 8.7106: real time 8.7151
WARNING in EDDRMM: call to ZHEGV failed, returncode = 6 3 9
WARNING in EDDRMM: call to ZHEGV failed, returncode = 6 3 18
RMM-DIIS: cpu time 32.9700: real time 32.9888
ORTHCH: cpu time 1.9324: real time 1.9331
CHARGE: cpu time 1.8251: real time 1.8263
MIXING: cpu time 0.0203: real time 0.0203
--------------------------------------------
LOOP: cpu time 46.2414: real time 46.2705
eigenvalue-minimisations : 20368
total energy-change (2. order) :-0.1220098E-05 (-0.3925957E-05)
number of electron 383.9999999 magnetization -0.0000000
augmentation part 76.2747407 magnetization -0.0000042
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.5197
4.2095 2.5966 2.0372 2.0372 1.1376 1.1376 0.9841 0.9841 1.0713 0.7047
0.7047 0.6313
free energy = -0.430899208623E+03 energy without entropy= -0.430899208623E+03
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 3( 14) ---------------------------------------
POTLOK: cpu time 0.1972: real time 0.2037
SETDIJ: cpu time 0.6030: real time 0.6031
EDDIAG: cpu time 8.8614: real time 8.8622
WARNING in EDDRMM: call to ZHEGV failed, returncode = 6 3 9
WARNING in EDDRMM: call to ZHEGV failed, returncode = 6 3 11
WARNING in EDDRMM: call to ZHEGV failed, returncode = 6 3 9
WARNING in EDDRMM: call to ZHEGV failed, returncode = 6 3 20
RMM-DIIS: cpu time 28.1760: real time 28.1808
ORTHCH: cpu time 1.9337: real time 1.9339
CHARGE: cpu time 1.8148: real time 1.8154
MIXING: cpu time 0.0184: real time 0.0184
--------------------------------------------
LOOP: cpu time 41.6046: real time 41.6175
eigenvalue-minimisations : 17156
total energy-change (2. order) :-0.8425341E-06 (-0.1763858E-05)
number of electron 383.9999999 magnetization 0.0000000
augmentation part 76.2737497 magnetization 0.0000067
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.4645
4.2209 2.6406 2.0452 2.0452 1.1738 1.1738 1.0233 1.0233 1.0223 0.6979
0.6392 0.6666 0.6666
free energy = -0.430899209466E+03 energy without entropy= -0.430899209466E+03
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 3( 15) ---------------------------------------
POTLOK: cpu time 0.1853: real time 0.1855
SETDIJ: cpu time 0.6012: real time 0.6013
EDDIAG: cpu time 8.7842: real time 8.7864
WARNING in EDDRMM: call to ZHEGV failed, returncode = 6 3 9
RMM-DIIS: cpu time 26.2085: real time 26.2112
ORTHCH: cpu time 1.9337: real time 1.9338
--------------------------------------------
LOOP: cpu time 37.7163: real time 37.7219
eigenvalue-minimisations : 15838
total energy-change (2. order) :-0.3786990E-06 (-0.8658318E-06)
number of electron 383.9999999 magnetization 0.0000000
augmentation part 76.2737497 magnetization 0.0000067
free energy = -0.430899209845E+03 energy without entropy= -0.430899209845E+03
--------------------------------------------------------------------------------------------------------
average (electrostatic) potential at core
the test charge radii are 1.0397 0.7215
(the norm of the test charge is 1.0000)
1 -77.4880 2 -77.4880 3 -77.4880 4 -77.4880 5 -77.4880
6 -77.4880 7 -77.4880 8 -77.4880 9 -77.4880 10 -77.4880
11 -77.4880 12 -77.4880 13 -77.4880 14 -77.4880 15 -77.4880
16 -77.4880 17 -70.5469 18 -70.5469 19 -70.5469 20 -70.5469
21 -70.5469 22 -70.5469 23 -70.5469 24 -70.5469 25 -70.5469
26 -70.5469 27 -70.5469 28 -70.5469 29 -70.5469 30 -70.5469
31 -70.5469 32 -70.5469 33 -70.5469 34 -70.5469 35 -70.5469
36 -70.5469 37 -70.5469 38 -70.5469 39 -70.5469 40 -70.5469
41 -70.5469 42 -70.5469 43 -70.5469 44 -70.5469 45 -70.5469
46 -70.5469 47 -70.5469 48 -70.5469
E-fermi : 3.4758 XC(G=0): -10.5898 alpha+bet :-12.2907
spin component 1
k-point 1 : 0.0833 0.0833 0.0833
band No. band energies occupation
1 -53.3440 1.00000
2 -53.3312 1.00000
3 -53.3312 1.00000
4 -53.3279 1.00000
5 -53.3279 1.00000
6 -53.3222 1.00000
7 -53.3182 1.00000
8 -53.3156 1.00000
9 -53.3153 1.00000
10 -53.3145 1.00000
11 -53.3116 1.00000
12 -53.3058 1.00000
13 -53.3058 1.00000
14 -53.3026 1.00000
15 -53.3026 1.00000
16 -53.2937 1.00000
17 -29.7675 1.00000
18 -29.7534 1.00000
19 -29.7534 1.00000
20 -29.7402 1.00000
21 -29.7402 1.00000
22 -29.7397 1.00000
23 -29.7298 1.00000
24 -29.7278 1.00000
25 -29.7188 1.00000
26 -29.6563 1.00000
27 -29.6563 1.00000
28 -29.6539 1.00000
29 -29.6539 1.00000
30 -29.6237 1.00000
31 -29.6003 1.00000
32 -29.5979 1.00000
33 -29.5955 1.00000
34 -29.5928 1.00000
35 -29.5880 1.00000
36 -29.5718 1.00000
37 -29.5629 1.00000
38 -29.5629 1.00000
39 -29.5625 1.00000
40 -29.5605 1.00000
41 -29.5605 1.00000
42 -29.5566 1.00000
43 -29.5546 1.00000
44 -29.5416 1.00000
45 -29.5416 1.00000
46 -29.5400 1.00000
47 -29.5400 1.00000
48 -29.4925 1.00000
49 -29.4909 1.00000
50 -29.4798 1.00000
51 -29.4798 1.00000
52 -29.4771 1.00000
53 -29.4771 1.00000
54 -29.4711 1.00000
55 -29.4710 1.00000
56 -29.4602 1.00000
57 -29.4533 1.00000
58 -29.4519 1.00000
59 -29.4443 1.00000
60 -29.4439 1.00000
61 -29.4439 1.00000
62 -29.4340 1.00000
63 -29.4340 1.00000
64 -29.4214 1.00000
65 -14.3867 1.00000
66 -13.9243 1.00000
67 -13.9051 1.00000
68 -13.9051 1.00000
69 -13.8542 1.00000
70 -13.8542 1.00000
71 -13.7868 1.00000
72 -13.3962 1.00000
73 -13.3202 1.00000
74 -13.2204 1.00000
75 -13.1913 1.00000
76 -13.1896 1.00000
77 -13.1896 1.00000
78 -13.1798 1.00000
79 -13.1798 1.00000
80 -13.1662 1.00000
81 -13.1241 1.00000
82 -13.1059 1.00000
83 -13.0412 1.00000
84 -13.0299 1.00000
85 -13.0299 1.00000
86 -12.9707 1.00000
87 -12.9707 1.00000
88 -12.9525 1.00000
89 -12.9188 1.00000
90 -12.9188 1.00000
91 -12.9108 1.00000
92 -12.9108 1.00000
93 -12.8348 1.00000
94 -12.8125 1.00000
95 -12.8072 1.00000
96 -12.7814 1.00000
97 -1.3405 1.00000
98 -1.3405 1.00000
99 -1.3145 1.00000
100 -1.2678 1.00000
101 -1.2611 1.00000
102 -1.1780 1.00000
103 -1.1780 1.00000
104 -1.1143 1.00000
105 -1.0545 1.00000
106 -1.0326 1.00000
107 -1.0326 1.00000
108 -0.8765 1.00000
109 -0.8290 1.00000
110 -0.7984 1.00000
111 -0.7872 1.00000
112 -0.7872 1.00000
113 -0.7065 1.00000
114 -0.6575 1.00000
115 -0.6382 1.00000
116 -0.6125 1.00000
117 -0.5986 1.00000
118 -0.5793 1.00000
119 -0.5793 1.00000
120 -0.5529 1.00000
121 -0.5529 1.00000
122 -0.5482 1.00000
123 -0.5482 1.00000
124 -0.5331 1.00000
125 -0.5331 1.00000
126 -0.5061 1.00000
127 -0.4924 1.00000
128 -0.4911 1.00000
129 -0.4585 1.00000
130 -0.4349 1.00000
131 -0.4304 1.00000
132 -0.2408 1.00000
133 0.0745 1.00000
134 0.0745 1.00000
135 0.1481 1.00000
136 0.1481 1.00000
137 0.4401 1.00000
138 0.4497 1.00000
139 0.4720 1.00000
140 0.4720 1.00000
141 0.5642 1.00000
142 0.6350 1.00000
143 0.7617 1.00000
144 0.7617 1.00000
145 0.9633 1.00000
146 0.9888 1.00000
147 0.9888 1.00000
148 1.0968 1.00000
149 1.0968 1.00000
150 1.1127 1.00000
151 1.1280 1.00000
152 1.1467 1.00000
153 1.1512 1.00000
154 1.1512 1.00000
155 1.1677 1.00000
156 1.1707 1.00000
157 1.2200 1.00000
158 1.2554 1.00000
159 1.2554 1.00000
160 1.2797 1.00000
161 1.4425 1.00000
162 1.8398 1.00000
163 1.8470 1.00000
164 1.8666 1.00000
165 1.8667 1.00000
166 1.8667 1.00000
167 1.9132 1.00000
168 1.9662 1.00000
169 1.9662 1.00000
170 2.1649 1.00000
171 2.1649 1.00000
172 2.2068 1.00000
173 2.2068 1.00000
174 2.2248 1.00000
175 2.2248 1.00000
176 2.2380 1.00000
177 2.2380 1.00000
178 2.2842 1.00000
179 2.2864 1.00000
180 2.3254 1.00000
181 2.3254 1.00000
182 2.3565 1.00000
183 2.3565 1.00000
184 2.3662 1.00000
185 2.6353 1.00000
186 2.7463 1.00000
187 2.9668 1.00000
188 2.9745 1.00000
189 3.0091 1.00000
190 3.0721 1.00000
191 3.0942 1.00000
192 3.1377 1.00000
193 5.3061 0.00000
194 5.5552 0.00000
195 5.6350 0.00000
196 5.9051 0.00000
197 6.2817 0.00000
198 6.3357 0.00000
199 6.3357 0.00000
200 6.3370 0.00000
201 6.3461 0.00000
202 6.3460 0.00000
203 6.3489 0.00000
204 6.4091 0.00000
205 6.4458 0.00000
206 6.4458 0.00000
207 6.4768 0.00000
208 6.4768 0.00000
209 6.5827 0.00000
210 6.5827 0.00000
211 6.6046 0.00000
212 6.6045 0.00000
213 6.6718 0.00000
214 6.6718 0.00000
215 6.7033 0.00000
216 6.7033 0.00000
217 6.7212 0.00000
218 6.7587 0.00000
219 6.7608 0.00000
220 6.7736 0.00000
221 6.7934 0.00000
222 6.8397 0.00000
223 6.9247 0.00000
224 6.9637 0.00000
225 7.0310 0.00000
226 7.0486 0.00000
227 7.2070 0.00000
228 7.2083 0.00000
229 7.2742 0.00000
230 7.2741 0.00000
231 7.3426 0.00000
232 7.3425 0.00000
233 7.4200 0.00000
234 7.4200 0.00000
235 7.4556 0.00000
236 7.4556 0.00000
237 7.8241 0.00000
238 7.8501 0.00000
239 7.8502 0.00000
240 7.8810 0.00000
241 7.9729 0.00000
242 8.0645 0.00000
243 8.1182 0.00000
244 8.2327 0.00000
245 8.3607 0.00000
246 8.3608 0.00000
247 8.3822 0.00000
248 8.3824 0.00000
249 8.3908 0.00000
250 8.7500 0.00000
251 8.9393 0.00000
252 9.0651 0.00000
253 9.1171 0.00000
254 9.2190 0.00000
255 9.2940 0.00000
256 9.3276 0.00000
k-point 2 : 0.2500 0.0833 0.0833
band No. band energies occupation
1 -53.3429 1.00000
2 -53.3346 1.00000
3 -53.3300 1.00000
4 -53.3268 1.00000
5 -53.3252 1.00000
6 -53.3219 1.00000
7 -53.3217 1.00000
8 -53.3185 1.00000
9 -53.3153 1.00000
10 -53.3119 1.00000
11 -53.3091 1.00000
12 -53.3086 1.00000
13 -53.3064 1.00000
14 -53.3032 1.00000
15 -53.2997 1.00000
16 -53.2943 1.00000
17 -29.7668 1.00000
18 -29.7604 1.00000
19 -29.7526 1.00000
20 -29.7459 1.00000
21 -29.7395 1.00000
22 -29.7343 1.00000
23 -29.7198 1.00000
24 -29.7124 1.00000
25 -29.7037 1.00000
26 -29.6623 1.00000
27 -29.6588 1.00000
28 -29.6491 1.00000
29 -29.6410 1.00000
30 -29.6376 1.00000
31 -29.6043 1.00000
32 -29.5994 1.00000
33 -29.5968 1.00000
34 -29.5875 1.00000
35 -29.5842 1.00000
36 -29.5716 1.00000
37 -29.5707 1.00000
38 -29.5707 1.00000
39 -29.5701 1.00000
40 -29.5655 1.00000
41 -29.5584 1.00000
42 -29.5553 1.00000
43 -29.5516 1.00000
44 -29.5481 1.00000
45 -29.5459 1.00000
46 -29.5415 1.00000
47 -29.5347 1.00000
48 -29.4998 1.00000
49 -29.4901 1.00000
50 -29.4827 1.00000
51 -29.4801 1.00000
52 -29.4766 1.00000
53 -29.4748 1.00000
54 -29.4713 1.00000
55 -29.4707 1.00000
56 -29.4679 1.00000
57 -29.4613 1.00000
58 -29.4540 1.00000
59 -29.4462 1.00000
60 -29.4422 1.00000
61 -29.4373 1.00000
62 -29.4323 1.00000
63 -29.4256 1.00000
64 -29.4194 1.00000
65 -14.3254 1.00000
66 -13.9869 1.00000
67 -13.8837 1.00000
68 -13.8302 1.00000
69 -13.8246 1.00000
70 -13.7723 1.00000
71 -13.7314 1.00000
72 -13.3603 1.00000
73 -13.3234 1.00000
74 -13.2935 1.00000
75 -13.2547 1.00000
76 -13.2123 1.00000
77 -13.2121 1.00000
78 -13.2030 1.00000
79 -13.1713 1.00000
80 -13.1442 1.00000
81 -13.1368 1.00000
82 -13.1341 1.00000
83 -13.0779 1.00000
84 -13.0588 1.00000
85 -13.0190 1.00000
86 -13.0173 1.00000
87 -12.9611 1.00000
88 -12.9359 1.00000
89 -12.9277 1.00000
90 -12.9113 1.00000
91 -12.9004 1.00000
92 -12.8763 1.00000
93 -12.8645 1.00000
94 -12.8473 1.00000
95 -12.8282 1.00000
96 -12.7880 1.00000
97 -1.4693 1.00000
98 -1.4195 1.00000
99 -1.3980 1.00000
100 -1.3468 1.00000
101 -1.3327 1.00000
102 -1.2801 1.00000
103 -1.1899 1.00000
104 -1.1356 1.00000
105 -1.0350 1.00000
106 -1.0314 1.00000
107 -0.8763 1.00000
108 -0.8585 1.00000
109 -0.8527 1.00000
110 -0.8063 1.00000
111 -0.7949 1.00000
112 -0.7789 1.00000
113 -0.7218 1.00000
114 -0.7160 1.00000
115 -0.6527 1.00000
116 -0.6449 1.00000
117 -0.6356 1.00000
118 -0.5903 1.00000
119 -0.5808 1.00000
120 -0.5707 1.00000
121 -0.5538 1.00000
122 -0.5374 1.00000
123 -0.4947 1.00000
124 -0.3995 1.00000
125 -0.3927 1.00000
126 -0.3814 1.00000
127 -0.3725 1.00000
128 -0.2840 1.00000
129 -0.2312 1.00000
130 -0.2132 1.00000
131 -0.1464 1.00000
132 -0.1438 1.00000
133 0.0627 1.00000
134 0.0844 1.00000
135 0.0931 1.00000
136 0.1353 1.00000
137 0.3057 1.00000
138 0.3349 1.00000
139 0.3856 1.00000
140 0.4702 1.00000
141 0.5852 1.00000
142 0.6541 1.00000
143 0.7333 1.00000
144 0.7523 1.00000
145 0.8552 1.00000
146 0.8944 1.00000
147 0.9388 1.00000
148 0.9492 1.00000
149 0.9508 1.00000
150 1.0213 1.00000
151 1.0337 1.00000
152 1.0501 1.00000
153 1.0906 1.00000
154 1.0942 1.00000
155 1.1405 1.00000
156 1.1730 1.00000
157 1.2793 1.00000
158 1.3512 1.00000
159 1.4303 1.00000
160 1.6045 1.00000
161 1.6243 1.00000
162 1.7269 1.00000
163 1.7552 1.00000
164 1.8307 1.00000
165 1.8693 1.00000
166 1.8817 1.00000
167 1.8878 1.00000
168 1.9472 1.00000
169 2.0287 1.00000
170 2.1138 1.00000
171 2.1362 1.00000
172 2.1801 1.00000
173 2.2250 1.00000
174 2.2321 1.00000
175 2.2571 1.00000
176 2.2766 1.00000
177 2.3173 1.00000
178 2.3426 1.00000
179 2.3628 1.00000
180 2.3833 1.00000
181 2.4147 1.00000
182 2.4148 1.00000
183 2.4702 1.00000
184 2.5015 1.00000
185 2.5438 1.00000
186 2.7647 1.00000
187 2.7821 1.00000
188 2.8018 1.00000
189 2.8773 1.00000
190 2.9679 1.00000
191 3.0896 1.00000
192 3.1240 1.00000
193 5.5879 0.00000
194 5.6724 0.00000
195 5.8586 0.00000
196 5.9574 0.00000
197 6.1763 0.00000
198 6.2059 0.00000
199 6.2160 0.00000
200 6.2495 0.00000
201 6.2618 0.00000
202 6.2666 0.00000
203 6.2822 0.00000
204 6.3449 0.00000
205 6.3592 0.00000
206 6.4251 0.00000
207 6.4408 0.00000
208 6.4498 0.00000
209 6.5728 0.00000
210 6.5767 0.00000
211 6.6064 0.00000
212 6.6126 0.00000
213 6.6139 0.00000
214 6.6141 0.00000
215 6.6146 0.00000
216 6.6266 0.00000
217 6.6724 0.00000
218 6.6747 0.00000
219 6.7309 0.00000
220 6.7493 0.00000
221 6.7715 0.00000
222 6.7940 0.00000
223 6.8009 0.00000
224 6.8054 0.00000
225 6.8401 0.00000
226 6.9609 0.00000
227 7.0563 0.00000
228 7.1011 0.00000
229 7.1134 0.00000
230 7.2141 0.00000
231 7.2568 0.00000
232 7.3009 0.00000
233 7.3673 0.00000
234 7.4390 0.00000
235 7.4453 0.00000
236 7.4497 0.00000
237 7.6875 0.00000
238 7.7104 0.00000
239 7.7704 0.00000
240 7.8071 0.00000
241 8.0778 0.00000
242 8.2244 0.00000
243 8.2999 0.00000
244 8.3548 0.00000
245 8.4145 0.00000
246 8.4611 0.00000
247 8.5900 0.00000
248 8.5979 0.00000
249 8.7102 0.00000
250 8.8608 0.00000
251 8.9989 0.00000
252 9.0227 0.00000
253 9.1252 0.00000
254 9.1904 0.00000
255 9.2355 0.00000
256 9.4137 0.00000
k-point 3 : 0.4167 0.0833 0.0833
band No. band energies occupation
1 -53.3408 1.00000
2 -53.3379 1.00000
3 -53.3279 1.00000
4 -53.3250 1.00000
5 -53.3247 1.00000
6 -53.3231 1.00000
7 -53.3220 1.00000
8 -53.3218 1.00000
9 -53.3143 1.00000
10 -53.3121 1.00000
11 -53.3094 1.00000
12 -53.3076 1.00000
13 -53.3062 1.00000
14 -53.3044 1.00000
15 -53.2973 1.00000
16 -53.2955 1.00000
17 -29.7655 1.00000
18 -29.7637 1.00000
19 -29.7511 1.00000
20 -29.7491 1.00000
21 -29.7384 1.00000
22 -29.7368 1.00000
23 -29.6930 1.00000
24 -29.6930 1.00000
25 -29.6857 1.00000
26 -29.6749 1.00000
27 -29.6695 1.00000
28 -29.6635 1.00000
29 -29.6355 1.00000
30 -29.6198 1.00000
31 -29.6197 1.00000
32 -29.5942 1.00000
33 -29.5937 1.00000
34 -29.5921 1.00000
35 -29.5832 1.00000
36 -29.5831 1.00000
37 -29.5746 1.00000
38 -29.5714 1.00000
39 -29.5697 1.00000
40 -29.5679 1.00000
41 -29.5601 1.00000
42 -29.5573 1.00000
43 -29.5569 1.00000
44 -29.5559 1.00000
45 -29.5445 1.00000
46 -29.5417 1.00000
47 -29.5248 1.00000
48 -29.5120 1.00000
49 -29.4882 1.00000
50 -29.4857 1.00000
51 -29.4787 1.00000
52 -29.4745 1.00000
53 -29.4741 1.00000
54 -29.4731 1.00000
55 -29.4720 1.00000
56 -29.4688 1.00000
57 -29.4682 1.00000
58 -29.4625 1.00000
59 -29.4422 1.00000
60 -29.4410 1.00000
61 -29.4329 1.00000
62 -29.4313 1.00000
63 -29.4202 1.00000
64 -29.4182 1.00000
65 -14.2195 1.00000
66 -14.0972 1.00000
67 -13.8463 1.00000
68 -13.8285 1.00000
69 -13.6792 1.00000
70 -13.6236 1.00000
71 -13.5993 1.00000
72 -13.4987 1.00000
73 -13.4375 1.00000
74 -13.4104 1.00000
75 -13.3045 1.00000
76 -13.2509 1.00000
77 -13.2388 1.00000
78 -13.1894 1.00000
79 -13.1805 1.00000
80 -13.1570 1.00000
81 -13.0829 1.00000
82 -13.0781 1.00000
83 -13.0685 1.00000
84 -13.0681 1.00000
85 -13.0299 1.00000
86 -12.9868 1.00000
87 -12.9767 1.00000
88 -12.9419 1.00000
89 -12.9133 1.00000
90 -12.9051 1.00000
91 -12.8966 1.00000
92 -12.8964 1.00000
93 -12.8751 1.00000
94 -12.8747 1.00000
95 -12.8724 1.00000
96 -12.8303 1.00000
97 -1.4035 1.00000
98 -1.3791 1.00000
99 -1.3429 1.00000
100 -1.3191 1.00000
101 -1.3146 1.00000
102 -1.2982 1.00000
103 -1.2472 1.00000
104 -1.1802 1.00000
105 -1.1238 1.00000
106 -1.1231 1.00000
107 -1.1125 1.00000
108 -1.0401 1.00000
109 -1.0329 1.00000
110 -1.0131 1.00000
111 -0.7744 1.00000
112 -0.7600 1.00000
113 -0.7518 1.00000
114 -0.7326 1.00000
115 -0.6187 1.00000
116 -0.6066 1.00000
117 -0.6007 1.00000
118 -0.5958 1.00000
119 -0.5883 1.00000
120 -0.5686 1.00000
121 -0.5666 1.00000
122 -0.5483 1.00000
123 -0.4345 1.00000
124 -0.3965 1.00000
125 -0.2822 1.00000
126 -0.2146 1.00000
127 -0.2137 1.00000
128 -0.1213 1.00000
129 -0.1193 1.00000
130 -0.0084 1.00000
131 0.1080 1.00000
132 0.1211 1.00000
133 0.1694 1.00000
134 0.1874 1.00000
135 0.2240 1.00000
136 0.3721 1.00000
137 0.3783 1.00000
138 0.4534 1.00000
139 0.5301 1.00000
140 0.5482 1.00000
141 0.5589 1.00000
142 0.6205 1.00000
143 0.6251 1.00000
144 0.6773 1.00000
145 0.7368 1.00000
146 0.7507 1.00000
147 0.8202 1.00000
148 0.9011 1.00000
149 0.9084 1.00000
150 0.9585 1.00000
151 1.0219 1.00000
152 1.0395 1.00000
153 1.0403 1.00000
154 1.0493 1.00000
155 1.1006 1.00000
156 1.1406 1.00000
157 1.2221 1.00000
158 1.2694 1.00000
159 1.2902 1.00000
160 1.2977 1.00000
161 1.6141 1.00000
162 1.6271 1.00000
163 1.6816 1.00000
164 1.7330 1.00000
165 1.7549 1.00000
166 1.8925 1.00000
167 1.9146 1.00000
168 1.9518 1.00000
169 2.0015 1.00000
170 2.0746 1.00000
171 2.1642 1.00000
172 2.2456 1.00000
173 2.2552 1.00000
174 2.2724 1.00000
175 2.3055 1.00000
176 2.3696 1.00000
177 2.3701 1.00000
178 2.4389 1.00000
179 2.4478 1.00000
180 2.4620 1.00000
181 2.5393 1.00000
182 2.5622 1.00000
183 2.5885 1.00000
184 2.5904 1.00000
185 2.6304 1.00000
186 2.6900 1.00000
187 2.7417 1.00000
188 2.7796 1.00000
189 2.8012 1.00000
190 2.8101 1.00000
191 2.9928 1.00000
192 3.0189 1.00000
193 5.8193 0.00000
194 5.9873 0.00000
195 5.9955 0.00000
196 6.0636 0.00000
197 6.1336 0.00000
198 6.1410 0.00000
199 6.1424 0.00000
200 6.1838 0.00000
201 6.1938 0.00000
202 6.2233 0.00000
203 6.2274 0.00000
204 6.2617 0.00000
205 6.2868 0.00000
206 6.3226 0.00000
207 6.3404 0.00000
208 6.3622 0.00000
209 6.3789 0.00000
210 6.4102 0.00000
211 6.4885 0.00000
212 6.5305 0.00000
213 6.5311 0.00000
214 6.5822 0.00000
215 6.5902 0.00000
216 6.6098 0.00000
217 6.6110 0.00000
218 6.6110 0.00000
219 6.6389 0.00000
220 6.6637 0.00000
221 6.7366 0.00000
222 6.7743 0.00000
223 6.7835 0.00000
224 6.8034 0.00000
225 6.8171 0.00000
226 6.8212 0.00000
227 6.9235 0.00000
228 6.9327 0.00000
229 7.2115 0.00000
230 7.2926 0.00000
231 7.3311 0.00000
232 7.3371 0.00000
233 7.3407 0.00000
234 7.4074 0.00000
235 7.4691 0.00000
236 7.4828 0.00000
237 7.5086 0.00000
238 7.5257 0.00000
239 7.6245 0.00000
240 7.6688 0.00000
241 8.1502 0.00000
242 8.2244 0.00000
243 8.2595 0.00000
244 8.3041 0.00000
245 8.7034 0.00000
246 8.7243 0.00000
247 8.7976 0.00000
248 8.8238 0.00000
249 8.8645 0.00000
250 8.8915 0.00000
251 8.9520 0.00000
252 8.9626 0.00000
253 9.0039 0.00000
254 9.0936 0.00000
255 9.1785 0.00000
256 9.4726 0.00000
k-point 4 : 0.2500 0.2500 0.0833
band No. band energies occupation
1 -53.3417 1.00000
2 -53.3334 1.00000
3 -53.3334 1.00000
4 -53.3251 1.00000
5 -53.3241 1.00000
6 -53.3241 1.00000
7 -53.3214 1.00000
8 -53.3167 1.00000
9 -53.3153 1.00000
10 -53.3142 1.00000
11 -53.3097 1.00000
12 -53.3097 1.00000
13 -53.3057 1.00000
14 -53.3003 1.00000
15 -53.3003 1.00000
16 -53.2948 1.00000
17 -29.7660 1.00000
18 -29.7596 1.00000
19 -29.7596 1.00000
20 -29.7524 1.00000
21 -29.7196 1.00000
22 -29.7194 1.00000
23 -29.7194 1.00000
24 -29.7134 1.00000
25 -29.6892 1.00000
26 -29.6571 1.00000
27 -29.6571 1.00000
28 -29.6454 1.00000
29 -29.6454 1.00000
30 -29.6447 1.00000
31 -29.6209 1.00000
32 -29.5981 1.00000
33 -29.5920 1.00000
34 -29.5847 1.00000
35 -29.5785 1.00000
36 -29.5760 1.00000
37 -29.5723 1.00000
38 -29.5723 1.00000
39 -29.5684 1.00000
40 -29.5684 1.00000
41 -29.5675 1.00000
42 -29.5621 1.00000
43 -29.5504 1.00000
44 -29.5481 1.00000
45 -29.5481 1.00000
46 -29.5399 1.00000
47 -29.5399 1.00000
48 -29.5050 1.00000
49 -29.4913 1.00000
50 -29.4838 1.00000
51 -29.4838 1.00000
52 -29.4746 1.00000
53 -29.4737 1.00000
54 -29.4737 1.00000
55 -29.4709 1.00000
56 -29.4701 1.00000
57 -29.4574 1.00000
58 -29.4537 1.00000
59 -29.4522 1.00000
60 -29.4522 1.00000
61 -29.4299 1.00000
62 -29.4241 1.00000
63 -29.4241 1.00000
64 -29.4176 1.00000
65 -14.2619 1.00000
66 -13.9094 1.00000
67 -13.9094 1.00000
68 -13.8245 1.00000
69 -13.7476 1.00000
70 -13.7476 1.00000
71 -13.6945 1.00000
72 -13.4411 1.00000
73 -13.3224 1.00000
74 -13.2687 1.00000
75 -13.2440 1.00000
76 -13.1956 1.00000
77 -13.1956 1.00000
78 -13.1890 1.00000
79 -13.1718 1.00000
80 -13.1675 1.00000
81 -13.1675 1.00000
82 -13.1313 1.00000
83 -13.1313 1.00000
84 -13.1209 1.00000
85 -13.0468 1.00000
86 -13.0468 1.00000
87 -13.0105 1.00000
88 -12.9306 1.00000
89 -12.9212 1.00000
90 -12.9212 1.00000
91 -12.9207 1.00000
92 -12.8762 1.00000
93 -12.8582 1.00000
94 -12.8540 1.00000
95 -12.8540 1.00000
96 -12.7765 1.00000
97 -1.4785 1.00000
98 -1.4610 1.00000
99 -1.4610 1.00000
100 -1.4174 1.00000
101 -1.4003 1.00000
102 -1.3571 1.00000
103 -1.3571 1.00000
104 -1.2229 1.00000
105 -0.9410 1.00000
106 -0.9115 1.00000
107 -0.8805 1.00000
108 -0.8458 1.00000
109 -0.8143 1.00000
110 -0.8143 1.00000
111 -0.8052 1.00000
112 -0.8052 1.00000
113 -0.7907 1.00000
114 -0.7907 1.00000
115 -0.7840 1.00000
116 -0.7267 1.00000
117 -0.5242 1.00000
118 -0.4796 1.00000
119 -0.4796 1.00000
120 -0.4567 1.00000
121 -0.3687 1.00000
122 -0.3687 1.00000
123 -0.3480 1.00000
124 -0.3349 1.00000
125 -0.3115 1.00000
126 -0.2128 1.00000
127 -0.2033 1.00000
128 -0.2033 1.00000
129 -0.1491 1.00000
130 -0.1477 1.00000
131 -0.0901 1.00000
132 -0.0871 1.00000
133 0.0795 1.00000
134 0.0795 1.00000
135 0.1139 1.00000
136 0.1139 1.00000
137 0.2424 1.00000
138 0.3182 1.00000
139 0.3182 1.00000
140 0.3902 1.00000
141 0.4369 1.00000
142 0.4606 1.00000
143 0.7031 1.00000
144 0.7031 1.00000
145 0.8075 1.00000
146 0.8075 1.00000
147 0.8472 1.00000
148 0.8598 1.00000
149 0.9496 1.00000
150 1.0059 1.00000
151 1.0059 1.00000
152 1.0390 1.00000
153 1.1142 1.00000
154 1.1142 1.00000
155 1.2401 1.00000
156 1.3398 1.00000
157 1.3674 1.00000
158 1.3674 1.00000
159 1.4000 1.00000
160 1.5830 1.00000
161 1.6059 1.00000
162 1.6360 1.00000
163 1.8348 1.00000
164 1.8348 1.00000
165 1.9382 1.00000
166 1.9382 1.00000
167 1.9805 1.00000
168 1.9887 1.00000
169 2.0160 1.00000
170 2.0436 1.00000
171 2.0436 1.00000
172 2.1109 1.00000
173 2.1109 1.00000
174 2.1151 1.00000
175 2.1179 1.00000
176 2.2187 1.00000
177 2.3830 1.00000
178 2.3830 1.00000
179 2.4348 1.00000
180 2.4794 1.00000
181 2.4794 1.00000
182 2.5491 1.00000
183 2.5491 1.00000
184 2.6174 1.00000
185 2.6338 1.00000
186 2.6338 1.00000
187 2.6742 1.00000
188 2.7365 1.00000
189 2.8667 1.00000
190 2.9691 1.00000
191 3.0361 1.00000
192 3.1076 1.00000
193 5.8115 0.00000
194 5.8711 0.00000
195 5.8997 0.00000
196 5.9727 0.00000
197 6.1372 0.00000
198 6.1421 0.00000
199 6.1420 0.00000
200 6.1683 0.00000
201 6.1683 0.00000
202 6.2636 0.00000
203 6.2908 0.00000
204 6.2908 0.00000
205 6.3036 0.00000
206 6.3353 0.00000
207 6.3353 0.00000
208 6.4737 0.00000
209 6.4807 0.00000
210 6.4835 0.00000
211 6.5729 0.00000
212 6.5729 0.00000
213 6.5857 0.00000
214 6.5902 0.00000
215 6.5901 0.00000
216 6.6114 0.00000
217 6.6538 0.00000
218 6.6701 0.00000
219 6.6701 0.00000
220 6.7018 0.00000
221 6.7364 0.00000
222 6.7364 0.00000
223 6.7739 0.00000
224 6.8234 0.00000
225 6.8273 0.00000
226 6.8822 0.00000
227 6.8863 0.00000
228 6.9994 0.00000
229 6.9993 0.00000
230 7.0078 0.00000
231 7.1526 0.00000
232 7.1526 0.00000
233 7.2693 0.00000
234 7.2692 0.00000
235 7.3995 0.00000
236 7.3995 0.00000
237 7.5470 0.00000
238 7.6217 0.00000
239 7.6226 0.00000
240 7.7362 0.00000
241 8.3516 0.00000
242 8.3708 0.00000
243 8.5111 0.00000
244 8.5421 0.00000
245 8.5423 0.00000
246 8.5672 0.00000
247 8.5674 0.00000
248 8.7894 0.00000
249 8.9115 0.00000
250 8.9993 0.00000
251 9.0805 0.00000
252 9.0894 0.00000
253 9.1456 0.00000
254 9.1963 0.00000
255 9.2843 0.00000
256 9.4829 0.00000
k-point 5 : 0.4167 0.2500 0.0833
band No. band energies occupation
1 -53.3396 1.00000
2 -53.3368 1.00000
3 -53.3313 1.00000
4 -53.3285 1.00000
5 -53.3221 1.00000
6 -53.3220 1.00000
7 -53.3212 1.00000
8 -53.3192 1.00000
9 -53.3146 1.00000
10 -53.3126 1.00000
11 -53.3126 1.00000
12 -53.3109 1.00000
13 -53.3033 1.00000
14 -53.3015 1.00000
15 -53.2979 1.00000
16 -53.2961 1.00000
17 -29.7647 1.00000
18 -29.7629 1.00000
19 -29.7581 1.00000
20 -29.7559 1.00000
21 -29.7189 1.00000
22 -29.7185 1.00000
23 -29.6942 1.00000
24 -29.6932 1.00000
25 -29.6730 1.00000
26 -29.6714 1.00000
27 -29.6653 1.00000
28 -29.6555 1.00000
29 -29.6468 1.00000
30 -29.6352 1.00000
31 -29.6241 1.00000
32 -29.5993 1.00000
33 -29.5926 1.00000
34 -29.5873 1.00000
35 -29.5820 1.00000
36 -29.5808 1.00000
37 -29.5741 1.00000
38 -29.5714 1.00000
39 -29.5689 1.00000
40 -29.5668 1.00000
41 -29.5652 1.00000
42 -29.5638 1.00000
43 -29.5602 1.00000
44 -29.5504 1.00000
45 -29.5485 1.00000
46 -29.5478 1.00000
47 -29.5295 1.00000
48 -29.5165 1.00000
49 -29.4901 1.00000
50 -29.4873 1.00000
51 -29.4835 1.00000
52 -29.4802 1.00000
53 -29.4717 1.00000
54 -29.4708 1.00000
55 -29.4703 1.00000
56 -29.4671 1.00000
57 -29.4642 1.00000
58 -29.4610 1.00000
59 -29.4517 1.00000
60 -29.4509 1.00000
61 -29.4251 1.00000
62 -29.4233 1.00000
63 -29.4187 1.00000
64 -29.4166 1.00000
65 -14.1518 1.00000
66 -14.0242 1.00000
67 -13.7704 1.00000
68 -13.7676 1.00000
69 -13.7459 1.00000
70 -13.6010 1.00000
71 -13.5974 1.00000
72 -13.5818 1.00000
73 -13.4096 1.00000
74 -13.3971 1.00000
75 -13.2636 1.00000
76 -13.2179 1.00000
77 -13.2075 1.00000
78 -13.1943 1.00000
79 -13.1915 1.00000
80 -13.1476 1.00000
81 -13.1409 1.00000
82 -13.1371 1.00000
83 -13.0990 1.00000
84 -13.0625 1.00000
85 -13.0419 1.00000
86 -13.0401 1.00000
87 -13.0220 1.00000
88 -12.9826 1.00000
89 -12.9813 1.00000
90 -12.9429 1.00000
91 -12.9087 1.00000
92 -12.8922 1.00000
93 -12.8897 1.00000
94 -12.8613 1.00000
95 -12.8318 1.00000
96 -12.7998 1.00000
97 -1.4577 1.00000
98 -1.4464 1.00000
99 -1.4291 1.00000
100 -1.3951 1.00000
101 -1.3904 1.00000
102 -1.3435 1.00000
103 -1.3257 1.00000
104 -1.1909 1.00000
105 -1.1711 1.00000
106 -1.1396 1.00000
107 -1.1189 1.00000
108 -1.0469 1.00000
109 -0.8979 1.00000
110 -0.8514 1.00000
111 -0.8413 1.00000
112 -0.8196 1.00000
113 -0.8111 1.00000
114 -0.8029 1.00000
115 -0.7698 1.00000
116 -0.7460 1.00000
117 -0.4634 1.00000
118 -0.4614 1.00000
119 -0.4003 1.00000
120 -0.3513 1.00000
121 -0.3136 1.00000
122 -0.2576 1.00000
123 -0.2572 1.00000
124 -0.2413 1.00000
125 -0.1992 1.00000
126 -0.1809 1.00000
127 -0.1663 1.00000
128 -0.1221 1.00000
129 -0.0850 1.00000
130 0.0636 1.00000
131 0.1190 1.00000
132 0.1458 1.00000
133 0.1562 1.00000
134 0.1735 1.00000
135 0.2503 1.00000
136 0.3539 1.00000
137 0.3778 1.00000
138 0.4204 1.00000
139 0.4282 1.00000
140 0.5035 1.00000
141 0.5038 1.00000
142 0.5372 1.00000
143 0.5441 1.00000
144 0.6228 1.00000
145 0.6411 1.00000
146 0.6518 1.00000
147 0.6825 1.00000
148 0.7464 1.00000
149 0.8321 1.00000
150 0.8365 1.00000
151 1.0869 1.00000
152 1.1395 1.00000
153 1.1470 1.00000
154 1.1573 1.00000
155 1.1659 1.00000
156 1.2302 1.00000
157 1.2822 1.00000
158 1.3452 1.00000
159 1.3696 1.00000
160 1.4253 1.00000
161 1.4989 1.00000
162 1.5318 1.00000
163 1.6012 1.00000
164 1.6746 1.00000
165 1.7765 1.00000
166 1.7922 1.00000
167 1.8759 1.00000
168 2.0265 1.00000
169 2.0387 1.00000
170 2.0610 1.00000
171 2.1047 1.00000
172 2.1154 1.00000
173 2.1231 1.00000
174 2.2488 1.00000
175 2.2906 1.00000
176 2.2956 1.00000
177 2.4257 1.00000
178 2.4538 1.00000
179 2.4727 1.00000
180 2.4927 1.00000
181 2.5129 1.00000
182 2.5494 1.00000
183 2.5934 1.00000
184 2.6359 1.00000
185 2.6749 1.00000
186 2.7677 1.00000
187 2.7735 1.00000
188 2.8489 1.00000
189 2.8522 1.00000
190 2.8710 1.00000
191 2.9566 1.00000
192 3.0189 1.00000
193 5.9534 0.00000
194 6.0077 0.00000
195 6.0539 0.00000
196 6.0678 0.00000
197 6.0716 0.00000
198 6.0803 0.00000
199 6.1396 0.00000
200 6.1633 0.00000
201 6.1672 0.00000
202 6.2005 0.00000
203 6.2166 0.00000
204 6.2422 0.00000
205 6.2503 0.00000
206 6.2531 0.00000
207 6.2645 0.00000
208 6.2943 0.00000
209 6.3123 0.00000
210 6.5021 0.00000
211 6.5158 0.00000
212 6.5248 0.00000
213 6.5303 0.00000
214 6.5669 0.00000
215 6.5698 0.00000
216 6.5816 0.00000
217 6.6083 0.00000
218 6.6230 0.00000
219 6.6733 0.00000
220 6.6736 0.00000
221 6.6746 0.00000
222 6.6988 0.00000
223 6.7040 0.00000
224 6.7503 0.00000
225 6.7690 0.00000
226 6.7678 0.00000
227 6.7953 0.00000
228 6.8517 0.00000
229 7.0098 0.00000
230 7.1108 0.00000
231 7.1111 0.00000
232 7.1536 0.00000
233 7.2533 0.00000
234 7.2689 0.00000
235 7.2874 0.00000
236 7.3286 0.00000
237 7.4142 0.00000
238 7.4614 0.00000
239 7.4630 0.00000
240 7.5995 0.00000
241 8.4231 0.00000
242 8.4603 0.00000
243 8.4801 0.00000
244 8.5169 0.00000
245 8.7246 0.00000
246 8.7404 0.00000
247 8.8054 0.00000
248 8.8656 0.00000
249 8.9115 0.00000
250 8.9830 0.00000
251 9.1107 0.00000
252 9.1374 0.00000
253 9.2236 0.00000
254 9.2532 0.00000
255 9.3345 0.00000
256 9.4648 0.00000
k-point 6 : 0.4167 0.4167 0.0833
band No. band energies occupation
1 -53.3375 1.00000
2 -53.3346 1.00000
3 -53.3346 1.00000
4 -53.3318 1.00000
5 -53.3202 1.00000
6 -53.3202 1.00000
7 -53.3201 1.00000
8 -53.3184 1.00000
9 -53.3148 1.00000
10 -53.3143 1.00000
11 -53.3136 1.00000
12 -53.3136 1.00000
13 -53.3009 1.00000
14 -53.2991 1.00000
15 -53.2991 1.00000
16 -53.2973 1.00000
17 -29.7634 1.00000
18 -29.7615 1.00000
19 -29.7615 1.00000
20 -29.7594 1.00000
21 -29.6993 1.00000
22 -29.6943 1.00000
23 -29.6943 1.00000
24 -29.6883 1.00000
25 -29.6726 1.00000
26 -29.6670 1.00000
27 -29.6670 1.00000
28 -29.6560 1.00000
29 -29.6526 1.00000
30 -29.6350 1.00000
31 -29.6350 1.00000
32 -29.6135 1.00000
33 -29.5883 1.00000
34 -29.5809 1.00000
35 -29.5796 1.00000
36 -29.5796 1.00000
37 -29.5758 1.00000
38 -29.5758 1.00000
39 -29.5748 1.00000
40 -29.5707 1.00000
41 -29.5689 1.00000
42 -29.5585 1.00000
43 -29.5585 1.00000
44 -29.5545 1.00000
45 -29.5523 1.00000
46 -29.5395 1.00000
47 -29.5395 1.00000
48 -29.5267 1.00000
49 -29.4902 1.00000
50 -29.4876 1.00000
51 -29.4876 1.00000
52 -29.4850 1.00000
53 -29.4683 1.00000
54 -29.4681 1.00000
55 -29.4681 1.00000
56 -29.4653 1.00000
57 -29.4630 1.00000
58 -29.4596 1.00000
59 -29.4596 1.00000
60 -29.4587 1.00000
61 -29.4199 1.00000
62 -29.4179 1.00000
63 -29.4179 1.00000
64 -29.4159 1.00000
65 -14.0335 1.00000
66 -13.8952 1.00000
67 -13.8952 1.00000
68 -13.7417 1.00000
69 -13.6476 1.00000
70 -13.5972 1.00000
71 -13.5972 1.00000
72 -13.5337 1.00000
73 -13.4359 1.00000
74 -13.3814 1.00000
75 -13.3814 1.00000
76 -13.3473 1.00000
77 -13.2001 1.00000
78 -13.1745 1.00000
79 -13.1403 1.00000
80 -13.1403 1.00000
81 -13.1069 1.00000
82 -13.1069 1.00000
83 -13.0843 1.00000
84 -13.0795 1.00000
85 -13.0577 1.00000
86 -13.0577 1.00000
87 -13.0520 1.00000
88 -13.0407 1.00000
89 -12.9769 1.00000
90 -12.9701 1.00000
91 -12.9701 1.00000
92 -12.9447 1.00000
93 -12.8674 1.00000
94 -12.8392 1.00000
95 -12.8392 1.00000
96 -12.8117 1.00000
97 -1.4395 1.00000
98 -1.3808 1.00000
99 -1.3808 1.00000
100 -1.3780 1.00000
101 -1.3638 1.00000
102 -1.3638 1.00000
103 -1.3447 1.00000
104 -1.2223 1.00000
105 -1.1732 1.00000
106 -1.1667 1.00000
107 -1.1333 1.00000
108 -1.1329 1.00000
109 -1.1329 1.00000
110 -1.0417 1.00000
111 -1.0417 1.00000
112 -0.9936 1.00000
113 -0.8484 1.00000
114 -0.8043 1.00000
115 -0.8043 1.00000
116 -0.7715 1.00000
117 -0.3372 1.00000
118 -0.3372 1.00000
119 -0.2931 1.00000
120 -0.2635 1.00000
121 -0.2536 1.00000
122 -0.2245 1.00000
123 -0.1191 1.00000
124 -0.1169 1.00000
125 -0.1169 1.00000
126 -0.0700 1.00000
127 -0.0700 1.00000
128 0.0556 1.00000
129 0.1695 1.00000
130 0.2335 1.00000
131 0.2856 1.00000
132 0.2856 1.00000
133 0.3105 1.00000
134 0.3105 1.00000
135 0.3459 1.00000
136 0.3903 1.00000
137 0.4677 1.00000
138 0.4797 1.00000
139 0.4797 1.00000
140 0.5139 1.00000
141 0.5143 1.00000
142 0.5223 1.00000
143 0.5260 1.00000
144 0.5397 1.00000
145 0.5397 1.00000
146 0.6122 1.00000
147 0.6122 1.00000
148 0.6468 1.00000
149 0.8262 1.00000
150 0.8781 1.00000
151 0.8781 1.00000
152 0.9558 1.00000
153 1.1353 1.00000
154 1.1701 1.00000
155 1.1701 1.00000
156 1.1823 1.00000
157 1.1958 1.00000
158 1.3027 1.00000
159 1.3126 1.00000
160 1.3126 1.00000
161 1.3660 1.00000
162 1.3660 1.00000
163 1.4759 1.00000
164 1.4888 1.00000
165 1.7299 1.00000
166 1.8238 1.00000
167 1.8238 1.00000
168 1.8948 1.00000
169 2.0569 1.00000
170 2.0576 1.00000
171 2.0906 1.00000
172 2.0906 1.00000
173 2.1740 1.00000
174 2.1794 1.00000
175 2.1794 1.00000
176 2.3804 1.00000
177 2.4410 1.00000
178 2.5314 1.00000
179 2.5314 1.00000
180 2.5504 1.00000
181 2.5706 1.00000
182 2.6551 1.00000
183 2.6551 1.00000
184 2.6933 1.00000
185 2.7805 1.00000
186 2.7805 1.00000
187 2.7971 1.00000
188 2.8958 1.00000
189 2.8958 1.00000
190 2.9053 1.00000
191 2.9290 1.00000
192 2.9789 1.00000
193 5.9919 0.00000
194 6.0167 0.00000
195 6.0167 0.00000
196 6.0284 0.00000
197 6.0763 0.00000
198 6.1093 0.00000
199 6.1093 0.00000
200 6.1275 0.00000
201 6.1520 0.00000
202 6.1831 0.00000
203 6.1863 0.00000
204 6.1863 0.00000
205 6.1900 0.00000
206 6.1900 0.00000
207 6.2219 0.00000
208 6.2229 0.00000
209 6.4296 0.00000
210 6.5091 0.00000
211 6.5194 0.00000
212 6.5194 0.00000
213 6.5209 0.00000
214 6.5375 0.00000
215 6.5491 0.00000
216 6.5490 0.00000
217 6.5541 0.00000
218 6.5808 0.00000
219 6.5807 0.00000
220 6.5860 0.00000
221 6.6480 0.00000
222 6.7172 0.00000
223 6.7171 0.00000
224 6.7197 0.00000
225 6.7510 0.00000
226 6.8378 0.00000
227 6.8377 0.00000
228 6.8613 0.00000
229 6.8841 0.00000
230 7.0320 0.00000
231 7.0320 0.00000
232 7.0844 0.00000
233 7.0846 0.00000
234 7.0846 0.00000
235 7.1636 0.00000
236 7.2346 0.00000
237 7.2443 0.00000
238 7.3179 0.00000
239 7.3179 0.00000
240 7.4594 0.00000
241 8.5491 0.00000
242 8.6382 0.00000
243 8.6386 0.00000
244 8.6636 0.00000
245 8.7516 0.00000
246 8.7516 0.00000
247 8.7561 0.00000
248 8.8365 0.00000
249 8.8964 0.00000
250 8.9743 0.00000
251 8.9746 0.00000
252 9.0597 0.00000
253 9.4362 0.00000
254 9.5505 0.00000
255 9.6996 0.00000
256 9.7226 0.00000
k-point 7 : 0.0833 0.0833 0.2500
band No. band energies occupation
1 -53.3423 1.00000
2 -53.3308 1.00000
3 -53.3308 1.00000
4 -53.3286 1.00000
5 -53.3284 1.00000
6 -53.3284 1.00000
7 -53.3180 1.00000
8 -53.3162 1.00000
9 -53.3136 1.00000
10 -53.3118 1.00000
11 -53.3092 1.00000
12 -53.3053 1.00000
13 -53.3053 1.00000
14 -53.3030 1.00000
15 -53.3030 1.00000
16 -53.2954 1.00000
17 -29.7562 1.00000
18 -29.7493 1.00000
19 -29.7493 1.00000
20 -29.7390 1.00000
21 -29.7390 1.00000
22 -29.7386 1.00000
23 -29.7320 1.00000
24 -29.7258 1.00000
25 -29.7199 1.00000
26 -29.6653 1.00000
27 -29.6632 1.00000
28 -29.6632 1.00000
29 -29.6604 1.00000
30 -29.6604 1.00000
31 -29.6007 1.00000
32 -29.6000 1.00000
33 -29.5934 1.00000
34 -29.5924 1.00000
35 -29.5766 1.00000
36 -29.5712 1.00000
37 -29.5627 1.00000
38 -29.5627 1.00000
39 -29.5609 1.00000
40 -29.5609 1.00000
41 -29.5600 1.00000
42 -29.5578 1.00000
43 -29.5344 1.00000
44 -29.5344 1.00000
45 -29.5340 1.00000
46 -29.5340 1.00000
47 -29.5281 1.00000
48 -29.4893 1.00000
49 -29.4876 1.00000
50 -29.4793 1.00000
51 -29.4793 1.00000
52 -29.4773 1.00000
53 -29.4773 1.00000
54 -29.4733 1.00000
55 -29.4730 1.00000
56 -29.4594 1.00000
57 -29.4547 1.00000
58 -29.4504 1.00000
59 -29.4453 1.00000
60 -29.4453 1.00000
61 -29.4452 1.00000
62 -29.4377 1.00000
63 -29.4377 1.00000
64 -29.4332 1.00000
65 -14.3501 1.00000
66 -14.0587 1.00000
67 -13.8981 1.00000
68 -13.8981 1.00000
69 -13.8608 1.00000
70 -13.8608 1.00000
71 -13.6560 1.00000
72 -13.4058 1.00000
73 -13.3340 1.00000
74 -13.2681 1.00000
75 -13.1889 1.00000
76 -13.1889 1.00000
77 -13.1854 1.00000
78 -13.1817 1.00000
79 -13.1817 1.00000
80 -13.1424 1.00000
81 -13.1092 1.00000
82 -13.0884 1.00000
83 -13.0471 1.00000
84 -13.0274 1.00000
85 -13.0274 1.00000
86 -12.9860 1.00000
87 -12.9860 1.00000
88 -12.9713 1.00000
89 -12.9119 1.00000
90 -12.9119 1.00000
91 -12.9040 1.00000
92 -12.9040 1.00000
93 -12.8321 1.00000
94 -12.8175 1.00000
95 -12.8014 1.00000
96 -12.7841 1.00000
97 -1.3283 1.00000
98 -1.3283 1.00000
99 -1.2862 1.00000
100 -1.2494 1.00000
101 -1.2352 1.00000
102 -1.2224 1.00000
103 -1.2224 1.00000
104 -1.1464 1.00000
105 -0.9775 1.00000
106 -0.9770 1.00000
107 -0.9770 1.00000
108 -0.9107 1.00000
109 -0.8223 1.00000
110 -0.8188 1.00000
111 -0.8188 1.00000
112 -0.7856 1.00000
113 -0.6651 1.00000
114 -0.6526 1.00000
115 -0.6292 1.00000
116 -0.6284 1.00000
117 -0.5954 1.00000
118 -0.5462 1.00000
119 -0.5462 1.00000
120 -0.5396 1.00000
121 -0.5396 1.00000
122 -0.5349 1.00000
123 -0.5349 1.00000
124 -0.5340 1.00000
125 -0.5048 1.00000
126 -0.5007 1.00000
127 -0.5007 1.00000
128 -0.4858 1.00000
129 -0.4672 1.00000
130 -0.4603 1.00000
131 -0.4289 1.00000
132 -0.2972 1.00000
133 -0.0329 1.00000
134 -0.0329 1.00000
135 -0.0255 1.00000
136 -0.0255 1.00000
137 0.2668 1.00000
138 0.3120 1.00000
139 0.4477 1.00000
140 0.4853 1.00000
141 0.6838 1.00000
142 0.6838 1.00000
143 0.9131 1.00000
144 0.9131 1.00000
145 0.9964 1.00000
146 0.9964 1.00000
147 1.0436 1.00000
148 1.0436 1.00000
149 1.1116 1.00000
150 1.1137 1.00000
151 1.1614 1.00000
152 1.1685 1.00000
153 1.1928 1.00000
154 1.1928 1.00000
155 1.2241 1.00000
156 1.2566 1.00000
157 1.2566 1.00000
158 1.2947 1.00000
159 1.3322 1.00000
160 1.5137 1.00000
161 1.5939 1.00000
162 1.6218 1.00000
163 1.6218 1.00000
164 1.7291 1.00000
165 1.7291 1.00000
166 1.7750 1.00000
167 1.8789 1.00000
168 1.8993 1.00000
169 1.9902 1.00000
170 2.1835 1.00000
171 2.1933 1.00000
172 2.2247 1.00000
173 2.2247 1.00000
174 2.2333 1.00000
175 2.2333 1.00000
176 2.2706 1.00000
177 2.2706 1.00000
178 2.2812 1.00000
179 2.2812 1.00000
180 2.3232 1.00000
181 2.4231 1.00000
182 2.4231 1.00000
183 2.4264 1.00000
184 2.4264 1.00000
185 2.7130 1.00000
186 2.7945 1.00000
187 2.9353 1.00000
188 2.9399 1.00000
189 2.9588 1.00000
190 2.9769 1.00000
191 3.0379 1.00000
192 3.0587 1.00000
193 5.3248 0.00000
194 5.4798 0.00000
195 5.7134 0.00000
196 5.8837 0.00000
197 6.2948 0.00000
198 6.2948 0.00000
199 6.3044 0.00000
200 6.3044 0.00000
201 6.3481 0.00000
202 6.3876 0.00000
203 6.4235 0.00000
204 6.4689 0.00000
205 6.4782 0.00000
206 6.4782 0.00000
207 6.4919 0.00000
208 6.4919 0.00000
209 6.6066 0.00000
210 6.6065 0.00000
211 6.6135 0.00000
212 6.6135 0.00000
213 6.6693 0.00000
214 6.6692 0.00000
215 6.6738 0.00000
216 6.6907 0.00000
217 6.6907 0.00000
218 6.7014 0.00000
219 6.7572 0.00000
220 6.7688 0.00000
221 6.7750 0.00000
222 6.7778 0.00000
223 6.8781 0.00000
224 6.8992 0.00000
225 7.0930 0.00000
226 7.0939 0.00000
227 7.1970 0.00000
228 7.1987 0.00000
229 7.2614 0.00000
230 7.2613 0.00000
231 7.3054 0.00000
232 7.3053 0.00000
233 7.4427 0.00000
234 7.4426 0.00000
235 7.4614 0.00000
236 7.4614 0.00000
237 7.8283 0.00000
238 7.8474 0.00000
239 7.8496 0.00000
240 7.8726 0.00000
241 7.9076 0.00000
242 8.0220 0.00000
243 8.1557 0.00000
244 8.3188 0.00000
245 8.3552 0.00000
246 8.3581 0.00000
247 8.3583 0.00000
248 8.3767 0.00000
249 8.3768 0.00000
250 8.6074 0.00000
251 9.0786 0.00000
252 9.0910 0.00000
253 9.1160 0.00000
254 9.1687 0.00000
255 9.2960 0.00000
256 9.4016 0.00000
k-point 8 : 0.2500 0.0833 0.2500
band No. band energies occupation
1 -53.3412 1.00000
2 -53.3336 1.00000
3 -53.3296 1.00000
4 -53.3280 1.00000
5 -53.3273 1.00000
6 -53.3270 1.00000
7 -53.3213 1.00000
8 -53.3191 1.00000
9 -53.3113 1.00000
10 -53.3092 1.00000
11 -53.3090 1.00000
12 -53.3073 1.00000
13 -53.3059 1.00000
14 -53.3036 1.00000
15 -53.3006 1.00000
16 -53.2959 1.00000
17 -29.7560 1.00000
18 -29.7541 1.00000
19 -29.7487 1.00000
20 -29.7438 1.00000
21 -29.7385 1.00000
22 -29.7350 1.00000
23 -29.7227 1.00000
24 -29.7122 1.00000
25 -29.7056 1.00000
26 -29.6715 1.00000
27 -29.6679 1.00000
28 -29.6645 1.00000
29 -29.6556 1.00000
30 -29.6469 1.00000
31 -29.6006 1.00000
32 -29.5998 1.00000
33 -29.5944 1.00000
34 -29.5842 1.00000
35 -29.5828 1.00000
36 -29.5747 1.00000
37 -29.5724 1.00000
38 -29.5710 1.00000
39 -29.5707 1.00000
40 -29.5649 1.00000
41 -29.5596 1.00000
42 -29.5583 1.00000
43 -29.5416 1.00000
44 -29.5408 1.00000
45 -29.5321 1.00000
46 -29.5296 1.00000
47 -29.5241 1.00000
48 -29.4966 1.00000
49 -29.4871 1.00000
50 -29.4815 1.00000
51 -29.4792 1.00000
52 -29.4764 1.00000
53 -29.4757 1.00000
54 -29.4735 1.00000
55 -29.4716 1.00000
56 -29.4665 1.00000
57 -29.4614 1.00000
58 -29.4534 1.00000
59 -29.4458 1.00000
60 -29.4433 1.00000
61 -29.4391 1.00000
62 -29.4357 1.00000
63 -29.4314 1.00000
64 -29.4301 1.00000
65 -14.2899 1.00000
66 -14.0084 1.00000
67 -13.9687 1.00000
68 -13.8548 1.00000
69 -13.8174 1.00000
70 -13.7791 1.00000
71 -13.6102 1.00000
72 -13.3677 1.00000
73 -13.3151 1.00000
74 -13.3088 1.00000
75 -13.2651 1.00000
76 -13.2450 1.00000
77 -13.2091 1.00000
78 -13.1967 1.00000
79 -13.1708 1.00000
80 -13.1439 1.00000
81 -13.1367 1.00000
82 -13.0859 1.00000
83 -13.0769 1.00000
84 -13.0702 1.00000
85 -13.0264 1.00000
86 -13.0153 1.00000
87 -12.9747 1.00000
88 -12.9539 1.00000
89 -12.9163 1.00000
90 -12.9047 1.00000
91 -12.8952 1.00000
92 -12.8713 1.00000
93 -12.8703 1.00000
94 -12.8510 1.00000
95 -12.8213 1.00000
96 -12.7926 1.00000
97 -1.4580 1.00000
98 -1.4036 1.00000
99 -1.3870 1.00000
100 -1.3710 1.00000
101 -1.3209 1.00000
102 -1.2595 1.00000
103 -1.2276 1.00000
104 -1.1667 1.00000
105 -0.9742 1.00000
106 -0.9649 1.00000
107 -0.8784 1.00000
108 -0.8631 1.00000
109 -0.8570 1.00000
110 -0.8312 1.00000
111 -0.7801 1.00000
112 -0.7448 1.00000
113 -0.7161 1.00000
114 -0.6693 1.00000
115 -0.6350 1.00000
116 -0.6276 1.00000
117 -0.5947 1.00000
118 -0.5913 1.00000
119 -0.5654 1.00000
120 -0.5430 1.00000
121 -0.5394 1.00000
122 -0.4955 1.00000
123 -0.4824 1.00000
124 -0.4283 1.00000
125 -0.4113 1.00000
126 -0.4051 1.00000
127 -0.3785 1.00000
128 -0.3308 1.00000
129 -0.2755 1.00000
130 -0.2669 1.00000
131 -0.1526 1.00000
132 -0.1438 1.00000
133 -0.0387 1.00000
134 -0.0348 1.00000
135 -0.0339 1.00000
136 0.0109 1.00000
137 0.1378 1.00000
138 0.2121 1.00000
139 0.5129 1.00000
140 0.5567 1.00000
141 0.5624 1.00000
142 0.5890 1.00000
143 0.7401 1.00000
144 0.8207 1.00000
145 0.8759 1.00000
146 0.9488 1.00000
147 0.9643 1.00000
148 1.0090 1.00000
149 1.0099 1.00000
150 1.0538 1.00000
151 1.1179 1.00000
152 1.1421 1.00000
153 1.1489 1.00000
154 1.1611 1.00000
155 1.1689 1.00000
156 1.2102 1.00000
157 1.3421 1.00000
158 1.3882 1.00000
159 1.4297 1.00000
160 1.5480 1.00000
161 1.6528 1.00000
162 1.7717 1.00000
163 1.8041 1.00000
164 1.8244 1.00000
165 1.8460 1.00000
166 1.8713 1.00000
167 1.8721 1.00000
168 1.8886 1.00000
169 1.9327 1.00000
170 1.9545 1.00000
171 1.9741 1.00000
172 2.1448 1.00000
173 2.2165 1.00000
174 2.2340 1.00000
175 2.2686 1.00000
176 2.3083 1.00000
177 2.3421 1.00000
178 2.3920 1.00000
179 2.4619 1.00000
180 2.4784 1.00000
181 2.5001 1.00000
182 2.5047 1.00000
183 2.5099 1.00000
184 2.5227 1.00000
185 2.5406 1.00000
186 2.7424 1.00000
187 2.7573 1.00000
188 2.8030 1.00000
189 2.8140 1.00000
190 2.8745 1.00000
191 3.0375 1.00000
192 3.0514 1.00000
193 5.5938 0.00000
194 5.6519 0.00000
195 5.8815 0.00000
196 5.9499 0.00000
197 6.1679 0.00000
198 6.2127 0.00000
199 6.2178 0.00000
200 6.2466 0.00000
201 6.2632 0.00000
202 6.2873 0.00000
203 6.3043 0.00000
204 6.3285 0.00000
205 6.4174 0.00000
206 6.4392 0.00000
207 6.4479 0.00000
208 6.4631 0.00000
209 6.5819 0.00000
210 6.5924 0.00000
211 6.5951 0.00000
212 6.6132 0.00000
213 6.6219 0.00000
214 6.6239 0.00000
215 6.6272 0.00000
216 6.6273 0.00000
217 6.6325 0.00000
218 6.6692 0.00000
219 6.7413 0.00000
220 6.7466 0.00000
221 6.7573 0.00000
222 6.7590 0.00000
223 6.7799 0.00000
224 6.7942 0.00000
225 6.8171 0.00000
226 6.9169 0.00000
227 7.0457 0.00000
228 7.0914 0.00000
229 7.1448 0.00000
230 7.2253 0.00000
231 7.2467 0.00000
232 7.2962 0.00000
233 7.3638 0.00000
234 7.4277 0.00000
235 7.4438 0.00000
236 7.4517 0.00000
237 7.6977 0.00000
238 7.7160 0.00000
239 7.7623 0.00000
240 7.7916 0.00000
241 8.0360 0.00000
242 8.1445 0.00000
243 8.2861 0.00000
244 8.3345 0.00000
245 8.4775 0.00000
246 8.5295 0.00000
247 8.5851 0.00000
248 8.5859 0.00000
249 8.6761 0.00000
250 8.7847 0.00000
251 9.0158 0.00000
252 9.0521 0.00000
253 9.1157 0.00000
254 9.2016 0.00000
255 9.3622 0.00000
256 9.4474 0.00000
k-point 9 : 0.4167 0.0833 0.2500
band No. band energies occupation
1 -53.3392 1.00000
2 -53.3366 1.00000
3 -53.3275 1.00000
4 -53.3272 1.00000
5 -53.3267 1.00000
6 -53.3252 1.00000
7 -53.3247 1.00000
8 -53.3223 1.00000
9 -53.3091 1.00000
10 -53.3089 1.00000
11 -53.3086 1.00000
12 -53.3071 1.00000
13 -53.3066 1.00000
14 -53.3048 1.00000
15 -53.2986 1.00000
16 -53.2970 1.00000
17 -29.7558 1.00000
18 -29.7555 1.00000
19 -29.7477 1.00000
20 -29.7463 1.00000
21 -29.7378 1.00000
22 -29.7369 1.00000
23 -29.7029 1.00000
24 -29.6944 1.00000
25 -29.6886 1.00000
26 -29.6844 1.00000
27 -29.6784 1.00000
28 -29.6738 1.00000
29 -29.6396 1.00000
30 -29.6250 1.00000
31 -29.6179 1.00000
32 -29.5989 1.00000
33 -29.5955 1.00000
34 -29.5952 1.00000
35 -29.5854 1.00000
36 -29.5848 1.00000
37 -29.5703 1.00000
38 -29.5692 1.00000
39 -29.5688 1.00000
40 -29.5671 1.00000
41 -29.5588 1.00000
42 -29.5584 1.00000
43 -29.5547 1.00000
44 -29.5535 1.00000
45 -29.5283 1.00000
46 -29.5246 1.00000
47 -29.5206 1.00000
48 -29.5085 1.00000
49 -29.4856 1.00000
50 -29.4837 1.00000
51 -29.4772 1.00000
52 -29.4745 1.00000
53 -29.4738 1.00000
54 -29.4736 1.00000
55 -29.4728 1.00000
56 -29.4683 1.00000
57 -29.4674 1.00000
58 -29.4609 1.00000
59 -29.4424 1.00000
60 -29.4417 1.00000
61 -29.4352 1.00000
62 -29.4342 1.00000
63 -29.4278 1.00000
64 -29.4275 1.00000
65 -14.1869 1.00000
66 -14.0701 1.00000
67 -13.9365 1.00000
68 -13.8801 1.00000
69 -13.6717 1.00000
70 -13.6309 1.00000
71 -13.5124 1.00000
72 -13.4907 1.00000
73 -13.4458 1.00000
74 -13.3620 1.00000
75 -13.3049 1.00000
76 -13.2596 1.00000
77 -13.2462 1.00000
78 -13.2154 1.00000
79 -13.1936 1.00000
80 -13.1804 1.00000
81 -13.0845 1.00000
82 -13.0804 1.00000
83 -13.0654 1.00000
84 -13.0375 1.00000
85 -13.0344 1.00000
86 -12.9735 1.00000
87 -12.9666 1.00000
88 -12.9487 1.00000
89 -12.9212 1.00000
90 -12.9103 1.00000
91 -12.8991 1.00000
92 -12.8903 1.00000
93 -12.8845 1.00000
94 -12.8742 1.00000
95 -12.8659 1.00000
96 -12.8344 1.00000
97 -1.3957 1.00000
98 -1.3689 1.00000
99 -1.3445 1.00000
100 -1.3316 1.00000
101 -1.3097 1.00000
102 -1.2693 1.00000
103 -1.2607 1.00000
104 -1.1766 1.00000
105 -1.1479 1.00000
106 -1.1351 1.00000
107 -1.1078 1.00000
108 -1.0439 1.00000
109 -0.9692 1.00000
110 -0.9685 1.00000
111 -0.8056 1.00000
112 -0.7949 1.00000
113 -0.6826 1.00000
114 -0.6760 1.00000
115 -0.6109 1.00000
116 -0.5888 1.00000
117 -0.5754 1.00000
118 -0.5750 1.00000
119 -0.5548 1.00000
120 -0.5469 1.00000
121 -0.5335 1.00000
122 -0.4998 1.00000
123 -0.4287 1.00000
124 -0.4093 1.00000
125 -0.3166 1.00000
126 -0.2559 1.00000
127 -0.2550 1.00000
128 -0.2142 1.00000
129 -0.1831 1.00000
130 -0.1227 1.00000
131 -0.0699 1.00000
132 -0.0449 1.00000
133 0.0654 1.00000
134 0.1552 1.00000
135 0.2503 1.00000
136 0.3719 1.00000
137 0.3818 1.00000
138 0.4115 1.00000
139 0.5076 1.00000
140 0.5161 1.00000
141 0.6059 1.00000
142 0.6416 1.00000
143 0.7001 1.00000
144 0.7068 1.00000
145 0.7073 1.00000
146 0.7458 1.00000
147 0.8128 1.00000
148 0.9909 1.00000
149 1.0149 1.00000
150 1.0462 1.00000
151 1.0467 1.00000
152 1.0682 1.00000
153 1.0932 1.00000
154 1.1107 1.00000
155 1.1584 1.00000
156 1.1831 1.00000
157 1.2875 1.00000
158 1.3184 1.00000
159 1.3323 1.00000
160 1.4036 1.00000
161 1.4662 1.00000
162 1.6060 1.00000
163 1.6235 1.00000
164 1.6749 1.00000
165 1.7787 1.00000
166 1.8337 1.00000
167 1.8398 1.00000
168 1.9581 1.00000
169 2.0590 1.00000
170 2.1493 1.00000
171 2.1677 1.00000
172 2.1962 1.00000
173 2.2614 1.00000
174 2.3226 1.00000
175 2.3518 1.00000
176 2.3730 1.00000
177 2.4270 1.00000
178 2.4456 1.00000
179 2.4635 1.00000
180 2.5132 1.00000
181 2.5274 1.00000
182 2.5522 1.00000
183 2.5682 1.00000
184 2.6031 1.00000
185 2.6297 1.00000
186 2.6391 1.00000
187 2.7105 1.00000
188 2.7116 1.00000
189 2.7813 1.00000
190 2.7842 1.00000
191 2.9613 1.00000
192 2.9653 1.00000
193 5.8268 0.00000
194 5.9292 0.00000
195 6.0010 0.00000
196 6.0989 0.00000
197 6.1221 0.00000
198 6.1408 0.00000
199 6.1720 0.00000
200 6.1741 0.00000
201 6.2045 0.00000
202 6.2185 0.00000
203 6.2412 0.00000
204 6.2606 0.00000
205 6.3201 0.00000
206 6.3328 0.00000
207 6.3452 0.00000
208 6.3626 0.00000
209 6.3914 0.00000
210 6.4561 0.00000
211 6.4696 0.00000
212 6.5288 0.00000
213 6.5532 0.00000
214 6.5975 0.00000
215 6.6025 0.00000
216 6.6041 0.00000
217 6.6203 0.00000
218 6.6253 0.00000
219 6.6282 0.00000
220 6.6463 0.00000
221 6.7533 0.00000
222 6.7549 0.00000
223 6.7576 0.00000
224 6.7709 0.00000
225 6.7707 0.00000
226 6.8129 0.00000
227 6.8956 0.00000
228 6.8957 0.00000
229 7.2386 0.00000
230 7.3130 0.00000
231 7.3218 0.00000
232 7.3531 0.00000
233 7.3541 0.00000
234 7.4019 0.00000
235 7.4509 0.00000
236 7.4998 0.00000
237 7.5008 0.00000
238 7.5220 0.00000
239 7.6099 0.00000
240 7.6467 0.00000
241 8.1150 0.00000
242 8.1968 0.00000
243 8.2046 0.00000
244 8.2661 0.00000
245 8.7690 0.00000
246 8.7768 0.00000
247 8.7879 0.00000
248 8.8043 0.00000
249 8.9173 0.00000
250 8.9245 0.00000
251 8.9342 0.00000
252 8.9502 0.00000
253 8.9782 0.00000
254 9.0243 0.00000
255 9.0741 0.00000
256 9.4769 0.00000
k-point 10 : 0.2500 0.2500 0.2500
band No. band energies occupation
1 -53.3402 1.00000
2 -53.3325 1.00000
3 -53.3325 1.00000
4 -53.3274 1.00000
5 -53.3259 1.00000
6 -53.3259 1.00000
7 -53.3245 1.00000
8 -53.3192 1.00000
9 -53.3117 1.00000
10 -53.3093 1.00000
11 -53.3078 1.00000
12 -53.3078 1.00000
13 -53.3064 1.00000
14 -53.3012 1.00000
15 -53.3012 1.00000
16 -53.2965 1.00000
17 -29.7557 1.00000
18 -29.7535 1.00000
19 -29.7535 1.00000
20 -29.7489 1.00000
21 -29.7268 1.00000
22 -29.7227 1.00000
23 -29.7227 1.00000
24 -29.7077 1.00000
25 -29.6919 1.00000
26 -29.6764 1.00000
27 -29.6614 1.00000
28 -29.6614 1.00000
29 -29.6508 1.00000
30 -29.6508 1.00000
31 -29.6067 1.00000
32 -29.5994 1.00000
33 -29.5978 1.00000
34 -29.5826 1.00000
35 -29.5782 1.00000
36 -29.5747 1.00000
37 -29.5737 1.00000
38 -29.5737 1.00000
39 -29.5736 1.00000
40 -29.5698 1.00000
41 -29.5698 1.00000
42 -29.5651 1.00000
43 -29.5392 1.00000
44 -29.5392 1.00000
45 -29.5357 1.00000
46 -29.5357 1.00000
47 -29.5247 1.00000
48 -29.5023 1.00000
49 -29.4880 1.00000
50 -29.4821 1.00000
51 -29.4821 1.00000
52 -29.4744 1.00000
53 -29.4744 1.00000
54 -29.4734 1.00000
55 -29.4725 1.00000
56 -29.4692 1.00000
57 -29.4609 1.00000
58 -29.4511 1.00000
59 -29.4511 1.00000
60 -29.4494 1.00000
61 -29.4329 1.00000
62 -29.4294 1.00000
63 -29.4294 1.00000
64 -29.4274 1.00000
65 -14.2273 1.00000
66 -13.9515 1.00000
67 -13.8909 1.00000
68 -13.8909 1.00000
69 -13.7736 1.00000
70 -13.7736 1.00000
71 -13.5709 1.00000
72 -13.4249 1.00000
73 -13.3287 1.00000
74 -13.2994 1.00000
75 -13.2846 1.00000
76 -13.2166 1.00000
77 -13.1731 1.00000
78 -13.1731 1.00000
79 -13.1643 1.00000
80 -13.1643 1.00000
81 -13.1378 1.00000
82 -13.1373 1.00000
83 -13.1373 1.00000
84 -13.0675 1.00000
85 -13.0643 1.00000
86 -13.0643 1.00000
87 -13.0272 1.00000
88 -12.9383 1.00000
89 -12.9237 1.00000
90 -12.9093 1.00000
91 -12.9093 1.00000
92 -12.8912 1.00000
93 -12.8605 1.00000
94 -12.8605 1.00000
95 -12.8379 1.00000
96 -12.7842 1.00000
97 -1.4645 1.00000
98 -1.4508 1.00000
99 -1.4508 1.00000
100 -1.4237 1.00000
101 -1.3768 1.00000
102 -1.3768 1.00000
103 -1.3699 1.00000
104 -1.2512 1.00000
105 -0.9157 1.00000
106 -0.9084 1.00000
107 -0.8467 1.00000
108 -0.8152 1.00000
109 -0.8016 1.00000
110 -0.8016 1.00000
111 -0.7909 1.00000
112 -0.7909 1.00000
113 -0.7841 1.00000
114 -0.7318 1.00000
115 -0.7318 1.00000
116 -0.6743 1.00000
117 -0.5507 1.00000
118 -0.4661 1.00000
119 -0.4661 1.00000
120 -0.3939 1.00000
121 -0.3912 1.00000
122 -0.3814 1.00000
123 -0.3814 1.00000
124 -0.3502 1.00000
125 -0.3335 1.00000
126 -0.2511 1.00000
127 -0.2491 1.00000
128 -0.2491 1.00000
129 -0.1656 1.00000
130 -0.1599 1.00000
131 -0.1456 1.00000
132 -0.0868 1.00000
133 -0.0342 1.00000
134 -0.0342 1.00000
135 0.0183 1.00000
136 0.0183 1.00000
137 0.0382 1.00000
138 0.2707 1.00000
139 0.4250 1.00000
140 0.4252 1.00000
141 0.4252 1.00000
142 0.5561 1.00000
143 0.7382 1.00000
144 0.7382 1.00000
145 0.7864 1.00000
146 0.8161 1.00000
147 0.8161 1.00000
148 0.8399 1.00000
149 1.0287 1.00000
150 1.0287 1.00000
151 1.0615 1.00000
152 1.2059 1.00000
153 1.2245 1.00000
154 1.2245 1.00000
155 1.2283 1.00000
156 1.3583 1.00000
157 1.3614 1.00000
158 1.3614 1.00000
159 1.4551 1.00000
160 1.6025 1.00000
161 1.6873 1.00000
162 1.7722 1.00000
163 1.7722 1.00000
164 1.8261 1.00000
165 1.8492 1.00000
166 1.9158 1.00000
167 1.9158 1.00000
168 1.9475 1.00000
169 1.9838 1.00000
170 1.9838 1.00000
171 1.9916 1.00000
172 2.0304 1.00000
173 2.0304 1.00000
174 2.0746 1.00000
175 2.2434 1.00000
176 2.3051 1.00000
177 2.4432 1.00000
178 2.4659 1.00000
179 2.4659 1.00000
180 2.4709 1.00000
181 2.4709 1.00000
182 2.5471 1.00000
183 2.6118 1.00000
184 2.6118 1.00000
185 2.6363 1.00000
186 2.6363 1.00000
187 2.6882 1.00000
188 2.7203 1.00000
189 2.8362 1.00000
190 2.8392 1.00000
191 3.0234 1.00000
192 3.0369 1.00000
193 5.8128 0.00000
194 5.8457 0.00000
195 5.9261 0.00000
196 5.9690 0.00000
197 6.1381 0.00000
198 6.1381 0.00000
199 6.1598 0.00000
200 6.1598 0.00000
201 6.1911 0.00000
202 6.2675 0.00000
203 6.2897 0.00000
204 6.2897 0.00000
205 6.3245 0.00000
206 6.3245 0.00000
207 6.3901 0.00000
208 6.4530 0.00000
209 6.4900 0.00000
210 6.5255 0.00000
211 6.5590 0.00000
212 6.5707 0.00000
213 6.5755 0.00000
214 6.5755 0.00000
215 6.5934 0.00000
216 6.5933 0.00000
217 6.6372 0.00000
218 6.6852 0.00000
219 6.6851 0.00000
220 6.7059 0.00000
221 6.7289 0.00000
222 6.7288 0.00000
223 6.7344 0.00000
224 6.7607 0.00000
225 6.8570 0.00000
226 6.8862 0.00000
227 6.9032 0.00000
228 6.9917 0.00000
229 7.0158 0.00000
230 7.0157 0.00000
231 7.1287 0.00000
232 7.1287 0.00000
233 7.2865 0.00000
234 7.2865 0.00000
235 7.3807 0.00000
236 7.3807 0.00000
237 7.5627 0.00000
238 7.6172 0.00000
239 7.6289 0.00000
240 7.7141 0.00000
241 8.2603 0.00000
242 8.2933 0.00000
243 8.5265 0.00000
244 8.5267 0.00000
245 8.5286 0.00000
246 8.5288 0.00000
247 8.6421 0.00000
248 8.8430 0.00000
249 8.8716 0.00000
250 8.9941 0.00000
251 9.0455 0.00000
252 9.0924 0.00000
253 9.1711 0.00000
254 9.1786 0.00000
255 9.4473 0.00000
256 9.5160 0.00000
k-point 11 : 0.4167 0.2500 0.2500
band No. band energies occupation
1 -53.3382 1.00000
2 -53.3355 1.00000
3 -53.3304 1.00000
4 -53.3276 1.00000
5 -53.3264 1.00000
6 -53.3257 1.00000
7 -53.3239 1.00000
8 -53.3214 1.00000
9 -53.3104 1.00000
10 -53.3093 1.00000
11 -53.3090 1.00000
12 -53.3089 1.00000
13 -53.3041 1.00000
14 -53.3024 1.00000
15 -53.2991 1.00000
16 -53.2975 1.00000
17 -29.7554 1.00000
18 -29.7550 1.00000
19 -29.7526 1.00000
20 -29.7513 1.00000
21 -29.7239 1.00000
22 -29.7229 1.00000
23 -29.7039 1.00000
24 -29.6915 1.00000
25 -29.6872 1.00000
26 -29.6749 1.00000
27 -29.6739 1.00000
28 -29.6600 1.00000
29 -29.6469 1.00000
30 -29.6291 1.00000
31 -29.6270 1.00000
32 -29.6038 1.00000
33 -29.5942 1.00000
34 -29.5934 1.00000
35 -29.5850 1.00000
36 -29.5837 1.00000
37 -29.5747 1.00000
38 -29.5746 1.00000
39 -29.5689 1.00000
40 -29.5679 1.00000
41 -29.5664 1.00000
42 -29.5619 1.00000
43 -29.5519 1.00000
44 -29.5475 1.00000
45 -29.5345 1.00000
46 -29.5288 1.00000
47 -29.5261 1.00000
48 -29.5137 1.00000
49 -29.4871 1.00000
50 -29.4849 1.00000
51 -29.4812 1.00000
52 -29.4777 1.00000
53 -29.4733 1.00000
54 -29.4732 1.00000
55 -29.4711 1.00000
56 -29.4660 1.00000
57 -29.4646 1.00000
58 -29.4584 1.00000
59 -29.4490 1.00000
60 -29.4488 1.00000
61 -29.4290 1.00000
62 -29.4280 1.00000
63 -29.4257 1.00000
64 -29.4252 1.00000
65 -14.1196 1.00000
66 -13.9972 1.00000
67 -13.8680 1.00000
68 -13.8023 1.00000
69 -13.7515 1.00000
70 -13.6270 1.00000
71 -13.5823 1.00000
72 -13.4847 1.00000
73 -13.4483 1.00000
74 -13.3438 1.00000
75 -13.2635 1.00000
76 -13.2387 1.00000
77 -13.2016 1.00000
78 -13.1789 1.00000
79 -13.1674 1.00000
80 -13.1650 1.00000
81 -13.1608 1.00000
82 -13.1524 1.00000
83 -13.1005 1.00000
84 -13.0541 1.00000
85 -13.0479 1.00000
86 -13.0337 1.00000
87 -13.0233 1.00000
88 -12.9802 1.00000
89 -12.9592 1.00000
90 -12.9549 1.00000
91 -12.9082 1.00000
92 -12.8949 1.00000
93 -12.8738 1.00000
94 -12.8709 1.00000
95 -12.8396 1.00000
96 -12.8087 1.00000
97 -1.4501 1.00000
98 -1.4390 1.00000
99 -1.4306 1.00000
100 -1.3984 1.00000
101 -1.3891 1.00000
102 -1.3388 1.00000
103 -1.3207 1.00000
104 -1.2154 1.00000
105 -1.1718 1.00000
106 -1.1475 1.00000
107 -1.1074 1.00000
108 -1.0578 1.00000
109 -0.8333 1.00000
110 -0.8152 1.00000
111 -0.8123 1.00000
112 -0.8051 1.00000
113 -0.8032 1.00000
114 -0.7636 1.00000
115 -0.6958 1.00000
116 -0.6841 1.00000
117 -0.4656 1.00000
118 -0.4502 1.00000
119 -0.3950 1.00000
120 -0.3708 1.00000
121 -0.3287 1.00000
122 -0.2795 1.00000
123 -0.2782 1.00000
124 -0.2240 1.00000
125 -0.2215 1.00000
126 -0.2146 1.00000
127 -0.1886 1.00000
128 -0.1854 1.00000
129 -0.1762 1.00000
130 -0.0561 1.00000
131 -0.0348 1.00000
132 -0.0090 1.00000
133 0.0248 1.00000
134 0.1426 1.00000
135 0.2213 1.00000
136 0.3510 1.00000
137 0.3670 1.00000
138 0.4559 1.00000
139 0.4660 1.00000
140 0.4928 1.00000
141 0.5567 1.00000
142 0.5834 1.00000
143 0.5971 1.00000
144 0.6001 1.00000
145 0.6602 1.00000
146 0.6653 1.00000
147 0.6964 1.00000
148 0.7858 1.00000
149 0.8814 1.00000
150 0.9609 1.00000
151 1.0796 1.00000
152 1.1581 1.00000
153 1.1693 1.00000
154 1.2020 1.00000
155 1.2516 1.00000
156 1.2683 1.00000
157 1.3326 1.00000
158 1.4164 1.00000
159 1.4281 1.00000
160 1.4281 1.00000
161 1.5022 1.00000
162 1.5334 1.00000
163 1.6063 1.00000
164 1.6206 1.00000
165 1.7163 1.00000
166 1.7644 1.00000
167 1.9694 1.00000
168 2.0163 1.00000
169 2.0309 1.00000
170 2.0311 1.00000
171 2.0917 1.00000
172 2.1293 1.00000
173 2.1546 1.00000
174 2.2030 1.00000
175 2.2937 1.00000
176 2.3083 1.00000
177 2.4633 1.00000
178 2.4768 1.00000
179 2.4832 1.00000
180 2.4856 1.00000
181 2.5078 1.00000
182 2.5225 1.00000
183 2.5624 1.00000
184 2.6645 1.00000
185 2.6796 1.00000
186 2.7129 1.00000
187 2.7612 1.00000
188 2.8200 1.00000
189 2.8222 1.00000
190 2.8446 1.00000
191 2.9649 1.00000
192 2.9675 1.00000
193 5.9561 0.00000
194 5.9943 0.00000
195 6.0502 0.00000
196 6.0580 0.00000
197 6.0788 0.00000
198 6.1106 0.00000
199 6.1346 0.00000
200 6.1417 0.00000
201 6.1652 0.00000
202 6.1754 0.00000
203 6.2473 0.00000
204 6.2496 0.00000
205 6.2565 0.00000
206 6.2704 0.00000
207 6.3165 0.00000
208 6.3192 0.00000
209 6.3242 0.00000
210 6.4772 0.00000
211 6.4896 0.00000
212 6.5120 0.00000
213 6.5385 0.00000
214 6.5563 0.00000
215 6.5578 0.00000
216 6.5844 0.00000
217 6.6282 0.00000
218 6.6476 0.00000
219 6.6770 0.00000
220 6.6791 0.00000
221 6.6889 0.00000
222 6.6966 0.00000
223 6.7133 0.00000
224 6.7251 0.00000
225 6.7330 0.00000
226 6.7558 0.00000
227 6.7677 0.00000
228 6.8396 0.00000
229 7.0219 0.00000
230 7.0949 0.00000
231 7.1408 0.00000
232 7.1673 0.00000
233 7.2515 0.00000
234 7.2515 0.00000
235 7.2944 0.00000
236 7.3521 0.00000
237 7.4214 0.00000
238 7.4325 0.00000
239 7.4618 0.00000
240 7.5719 0.00000
241 8.3682 0.00000
242 8.3793 0.00000
243 8.4483 0.00000
244 8.4497 0.00000
245 8.7102 0.00000
246 8.7381 0.00000
247 8.8516 0.00000
248 8.8675 0.00000
249 8.8946 0.00000
250 9.0293 0.00000
251 9.1422 0.00000
252 9.1730 0.00000
253 9.2576 0.00000
254 9.3067 0.00000
255 9.3289 0.00000
256 9.4090 0.00000
k-point 12 : 0.4167 0.4167 0.2500
band No. band energies occupation
1 -53.3361 1.00000
2 -53.3335 1.00000
3 -53.3335 1.00000
4 -53.3307 1.00000
5 -53.3252 1.00000
6 -53.3241 1.00000
7 -53.3241 1.00000
8 -53.3223 1.00000
9 -53.3104 1.00000
10 -53.3097 1.00000
11 -53.3097 1.00000
12 -53.3097 1.00000
13 -53.3019 1.00000
14 -53.3003 1.00000
15 -53.3003 1.00000
16 -53.2986 1.00000
17 -29.7549 1.00000
18 -29.7543 1.00000
19 -29.7543 1.00000
20 -29.7533 1.00000
21 -29.7127 1.00000
22 -29.7066 1.00000
23 -29.7066 1.00000
24 -29.6942 1.00000
25 -29.6792 1.00000
26 -29.6615 1.00000
27 -29.6615 1.00000
28 -29.6565 1.00000
29 -29.6438 1.00000
30 -29.6394 1.00000
31 -29.6394 1.00000
32 -29.6178 1.00000
33 -29.5903 1.00000
34 -29.5896 1.00000
35 -29.5834 1.00000
36 -29.5834 1.00000
37 -29.5817 1.00000
38 -29.5817 1.00000
39 -29.5801 1.00000
40 -29.5773 1.00000
41 -29.5575 1.00000
42 -29.5505 1.00000
43 -29.5455 1.00000
44 -29.5455 1.00000
45 -29.5371 1.00000
46 -29.5371 1.00000
47 -29.5368 1.00000
48 -29.5244 1.00000
49 -29.4869 1.00000
50 -29.4847 1.00000
51 -29.4847 1.00000
52 -29.4820 1.00000
53 -29.4717 1.00000
54 -29.4706 1.00000
55 -29.4706 1.00000
56 -29.4672 1.00000
57 -29.4604 1.00000
58 -29.4553 1.00000
59 -29.4553 1.00000
60 -29.4527 1.00000
61 -29.4251 1.00000
62 -29.4241 1.00000
63 -29.4241 1.00000
64 -29.4233 1.00000
65 -14.0028 1.00000
66 -13.8686 1.00000
67 -13.8686 1.00000
68 -13.7593 1.00000
69 -13.7171 1.00000
70 -13.6669 1.00000
71 -13.6669 1.00000
72 -13.5236 1.00000
73 -13.4255 1.00000
74 -13.3155 1.00000
75 -13.3155 1.00000
76 -13.2641 1.00000
77 -13.2016 1.00000
78 -13.1925 1.00000
79 -13.1427 1.00000
80 -13.1427 1.00000
81 -13.1226 1.00000
82 -13.1216 1.00000
83 -13.1216 1.00000
84 -13.0969 1.00000
85 -13.0783 1.00000
86 -13.0783 1.00000
87 -13.0498 1.00000
88 -13.0044 1.00000
89 -12.9947 1.00000
90 -12.9424 1.00000
91 -12.9424 1.00000
92 -12.9101 1.00000
93 -12.8827 1.00000
94 -12.8520 1.00000
95 -12.8520 1.00000
96 -12.8237 1.00000
97 -1.4337 1.00000
98 -1.4005 1.00000
99 -1.3806 1.00000
100 -1.3806 1.00000
101 -1.3671 1.00000
102 -1.3671 1.00000
103 -1.3036 1.00000
104 -1.2231 1.00000
105 -1.2028 1.00000
106 -1.1884 1.00000
107 -1.1171 1.00000
108 -1.1171 1.00000
109 -1.0909 1.00000
110 -1.0535 1.00000
111 -1.0535 1.00000
112 -1.0052 1.00000
113 -0.7585 1.00000
114 -0.7224 1.00000
115 -0.7224 1.00000
116 -0.7004 1.00000
117 -0.3348 1.00000
118 -0.3348 1.00000
119 -0.3203 1.00000
120 -0.2986 1.00000
121 -0.2782 1.00000
122 -0.1868 1.00000
123 -0.1868 1.00000
124 -0.1706 1.00000
125 -0.1613 1.00000
126 -0.1415 1.00000
127 -0.1415 1.00000
128 -0.0742 1.00000
129 -0.0616 1.00000
130 0.1719 1.00000
131 0.1719 1.00000
132 0.1970 1.00000
133 0.2918 1.00000
134 0.2918 1.00000
135 0.3528 1.00000
136 0.3605 1.00000
137 0.4229 1.00000
138 0.4789 1.00000
139 0.4857 1.00000
140 0.4857 1.00000
141 0.5586 1.00000
142 0.5774 1.00000
143 0.5774 1.00000
144 0.6105 1.00000
145 0.6260 1.00000
146 0.7267 1.00000
147 0.7267 1.00000
148 0.7629 1.00000
149 0.8281 1.00000
150 0.9102 1.00000
151 0.9102 1.00000
152 0.9617 1.00000
153 1.1015 1.00000
154 1.1742 1.00000
155 1.1742 1.00000
156 1.2056 1.00000
157 1.2374 1.00000
158 1.2732 1.00000
159 1.2732 1.00000
160 1.4062 1.00000
161 1.4424 1.00000
162 1.4680 1.00000
163 1.4680 1.00000
164 1.5551 1.00000
165 1.6339 1.00000
166 1.7617 1.00000
167 1.7617 1.00000
168 1.9501 1.00000
169 2.0745 1.00000
170 2.0968 1.00000
171 2.1574 1.00000
172 2.1574 1.00000
173 2.1905 1.00000
174 2.1905 1.00000
175 2.2945 1.00000
176 2.3584 1.00000
177 2.4154 1.00000
178 2.4642 1.00000
179 2.5158 1.00000
180 2.5158 1.00000
181 2.5351 1.00000
182 2.5394 1.00000
183 2.5394 1.00000
184 2.6351 1.00000
185 2.7814 1.00000
186 2.8443 1.00000
187 2.8443 1.00000
188 2.8808 1.00000
189 2.8808 1.00000
190 2.9120 1.00000
191 2.9412 1.00000
192 2.9474 1.00000
193 5.9870 0.00000
194 6.0138 0.00000
195 6.0138 0.00000
196 6.0328 0.00000
197 6.0408 0.00000
198 6.0665 0.00000
199 6.0665 0.00000
200 6.1031 0.00000
201 6.1843 0.00000
202 6.2175 0.00000
203 6.2175 0.00000
204 6.2224 0.00000
205 6.2458 0.00000
206 6.2458 0.00000
207 6.2487 0.00000
208 6.3131 0.00000
209 6.3852 0.00000
210 6.4470 0.00000
211 6.4695 0.00000
212 6.4794 0.00000
213 6.4794 0.00000
214 6.5347 0.00000
215 6.5347 0.00000
216 6.5363 0.00000
217 6.5895 0.00000
218 6.6059 0.00000
219 6.6058 0.00000
220 6.6130 0.00000
221 6.6444 0.00000
222 6.6625 0.00000
223 6.6624 0.00000
224 6.6819 0.00000
225 6.7520 0.00000
226 6.8484 0.00000
227 6.8951 0.00000
228 6.8951 0.00000
229 6.9309 0.00000
230 7.0209 0.00000
231 7.0209 0.00000
232 7.1139 0.00000
233 7.1139 0.00000
234 7.1218 0.00000
235 7.1303 0.00000
236 7.2246 0.00000
237 7.2692 0.00000
238 7.2859 0.00000
239 7.2858 0.00000
240 7.4276 0.00000
241 8.5113 0.00000
242 8.5312 0.00000
243 8.6096 0.00000
244 8.6097 0.00000
245 8.6393 0.00000
246 8.6393 0.00000
247 8.7320 0.00000
248 8.7733 0.00000
249 9.0110 0.00000
250 9.1344 0.00000
251 9.1372 0.00000
252 9.2314 0.00000
253 9.3597 0.00000
254 9.5225 0.00000
255 9.5536 0.00000
256 9.7351 0.00000
k-point 13 : 0.0833 0.0833 0.4167
band No. band energies occupation
1 -53.3390 1.00000
2 -53.3343 1.00000
3 -53.3301 1.00000
4 -53.3301 1.00000
5 -53.3292 1.00000
6 -53.3292 1.00000
7 -53.3175 1.00000
8 -53.3169 1.00000
9 -53.3129 1.00000
10 -53.3122 1.00000
11 -53.3045 1.00000
12 -53.3045 1.00000
13 -53.3037 1.00000
14 -53.3037 1.00000
15 -53.3034 1.00000
16 -53.2987 1.00000
17 -29.7433 1.00000
18 -29.7433 1.00000
19 -29.7392 1.00000
20 -29.7392 1.00000
21 -29.7367 1.00000
22 -29.7344 1.00000
23 -29.7343 1.00000
24 -29.7237 1.00000
25 -29.7216 1.00000
26 -29.7033 1.00000
27 -29.6691 1.00000
28 -29.6691 1.00000
29 -29.6676 1.00000
30 -29.6676 1.00000
31 -29.6012 1.00000
32 -29.6010 1.00000
33 -29.5922 1.00000
34 -29.5920 1.00000
35 -29.5710 1.00000
36 -29.5677 1.00000
37 -29.5653 1.00000
38 -29.5628 1.00000
39 -29.5622 1.00000
40 -29.5622 1.00000
41 -29.5615 1.00000
42 -29.5615 1.00000
43 -29.5279 1.00000
44 -29.5279 1.00000
45 -29.5278 1.00000
46 -29.5278 1.00000
47 -29.4922 1.00000
48 -29.4849 1.00000
49 -29.4825 1.00000
50 -29.4786 1.00000
51 -29.4786 1.00000
52 -29.4779 1.00000
53 -29.4779 1.00000
54 -29.4773 1.00000
55 -29.4749 1.00000
56 -29.4579 1.00000
57 -29.4563 1.00000
58 -29.4554 1.00000
59 -29.4487 1.00000
60 -29.4468 1.00000
61 -29.4458 1.00000
62 -29.4458 1.00000
63 -29.4428 1.00000
64 -29.4428 1.00000
65 -14.2795 1.00000
66 -14.1800 1.00000
67 -13.8861 1.00000
68 -13.8861 1.00000
69 -13.8724 1.00000
70 -13.8724 1.00000
71 -13.5416 1.00000
72 -13.4537 1.00000
73 -13.3312 1.00000
74 -13.3063 1.00000
75 -13.1872 1.00000
76 -13.1872 1.00000
77 -13.1846 1.00000
78 -13.1846 1.00000
79 -13.1745 1.00000
80 -13.1596 1.00000
81 -13.0721 1.00000
82 -13.0579 1.00000
83 -13.0542 1.00000
84 -13.0192 1.00000
85 -13.0192 1.00000
86 -13.0065 1.00000
87 -13.0046 1.00000
88 -13.0046 1.00000
89 -12.9038 1.00000
90 -12.9038 1.00000
91 -12.9005 1.00000
92 -12.9005 1.00000
93 -12.8277 1.00000
94 -12.8226 1.00000
95 -12.7951 1.00000
96 -12.7890 1.00000
97 -1.3038 1.00000
98 -1.3038 1.00000
99 -1.2678 1.00000
100 -1.2678 1.00000
101 -1.2451 1.00000
102 -1.2212 1.00000
103 -1.2158 1.00000
104 -1.1795 1.00000
105 -0.9159 1.00000
106 -0.9159 1.00000
107 -0.9100 1.00000
108 -0.8740 1.00000
109 -0.8682 1.00000
110 -0.8633 1.00000
111 -0.8633 1.00000
112 -0.7902 1.00000
113 -0.6457 1.00000
114 -0.6387 1.00000
115 -0.6192 1.00000
116 -0.6037 1.00000
117 -0.5905 1.00000
118 -0.5514 1.00000
119 -0.5416 1.00000
120 -0.5416 1.00000
121 -0.5376 1.00000
122 -0.5376 1.00000
123 -0.5301 1.00000
124 -0.5161 1.00000
125 -0.4836 1.00000
126 -0.4779 1.00000
127 -0.4725 1.00000
128 -0.4725 1.00000
129 -0.4458 1.00000
130 -0.4458 1.00000
131 -0.4123 1.00000
132 -0.3664 1.00000
133 -0.1579 1.00000
134 -0.1579 1.00000
135 -0.1465 1.00000
136 -0.1465 1.00000
137 0.1648 1.00000
138 0.1896 1.00000
139 0.3560 1.00000
140 0.3790 1.00000
141 0.8987 1.00000
142 0.8987 1.00000
143 0.9920 1.00000
144 0.9920 1.00000
145 1.0382 1.00000
146 1.0382 1.00000
147 1.1087 1.00000
148 1.1097 1.00000
149 1.1134 1.00000
150 1.1134 1.00000
151 1.1684 1.00000
152 1.1696 1.00000
153 1.1734 1.00000
154 1.1734 1.00000
155 1.2377 1.00000
156 1.2377 1.00000
157 1.4166 1.00000
158 1.4286 1.00000
159 1.4286 1.00000
160 1.4357 1.00000
161 1.4987 1.00000
162 1.4994 1.00000
163 1.4994 1.00000
164 1.6584 1.00000
165 1.7026 1.00000
166 1.7284 1.00000
167 1.9518 1.00000
168 1.9758 1.00000
169 2.0605 1.00000
170 2.0794 1.00000
171 2.0964 1.00000
172 2.2185 1.00000
173 2.2264 1.00000
174 2.2264 1.00000
175 2.2296 1.00000
176 2.2296 1.00000
177 2.2979 1.00000
178 2.2979 1.00000
179 2.2983 1.00000
180 2.2983 1.00000
181 2.5063 1.00000
182 2.5063 1.00000
183 2.5077 1.00000
184 2.5077 1.00000
185 2.8035 1.00000
186 2.8614 1.00000
187 2.8653 1.00000
188 2.8770 1.00000
189 2.8803 1.00000
190 2.9200 1.00000
191 2.9636 1.00000
192 2.9684 1.00000
193 5.3612 0.00000
194 5.4138 0.00000
195 5.7843 0.00000
196 5.8425 0.00000
197 6.2692 0.00000
198 6.2692 0.00000
199 6.2729 0.00000
200 6.2729 0.00000
201 6.4572 0.00000
202 6.4770 0.00000
203 6.4891 0.00000
204 6.4891 0.00000
205 6.4920 0.00000
206 6.4920 0.00000
207 6.5396 0.00000
208 6.5665 0.00000
209 6.5906 0.00000
210 6.5935 0.00000
211 6.6364 0.00000
212 6.6364 0.00000
213 6.6383 0.00000
214 6.6383 0.00000
215 6.6627 0.00000
216 6.6626 0.00000
217 6.6706 0.00000
218 6.6722 0.00000
219 6.6721 0.00000
220 6.6755 0.00000
221 6.7923 0.00000
222 6.8023 0.00000
223 6.8297 0.00000
224 6.8441 0.00000
225 7.1405 0.00000
226 7.1429 0.00000
227 7.1762 0.00000
228 7.1770 0.00000
229 7.2541 0.00000
230 7.2541 0.00000
231 7.2695 0.00000
232 7.2694 0.00000
233 7.4592 0.00000
234 7.4592 0.00000
235 7.4648 0.00000
236 7.4647 0.00000
237 7.8349 0.00000
238 7.8419 0.00000
239 7.8527 0.00000
240 7.8612 0.00000
241 7.8938 0.00000
242 7.9376 0.00000
243 8.2345 0.00000
244 8.3006 0.00000
245 8.3606 0.00000
246 8.3607 0.00000
247 8.3684 0.00000
248 8.3684 0.00000
249 8.4049 0.00000
250 8.4971 0.00000
251 9.0767 0.00000
252 9.0820 0.00000
253 9.1079 0.00000
254 9.2189 0.00000
255 9.3346 0.00000
256 9.3829 0.00000
k-point 14 : 0.2500 0.0833 0.4167
band No. band energies occupation
1 -53.3380 1.00000
2 -53.3335 1.00000
3 -53.3319 1.00000
4 -53.3295 1.00000
5 -53.3289 1.00000
6 -53.3281 1.00000
7 -53.3207 1.00000
8 -53.3199 1.00000
9 -53.3104 1.00000
10 -53.3096 1.00000
11 -53.3051 1.00000
12 -53.3048 1.00000
13 -53.3043 1.00000
14 -53.3037 1.00000
15 -53.3024 1.00000
16 -53.2991 1.00000
17 -29.7430 1.00000
18 -29.7430 1.00000
19 -29.7405 1.00000
20 -29.7389 1.00000
21 -29.7372 1.00000
22 -29.7352 1.00000
23 -29.7309 1.00000
24 -29.7110 1.00000
25 -29.7084 1.00000
26 -29.7061 1.00000
27 -29.6727 1.00000
28 -29.6710 1.00000
29 -29.6587 1.00000
30 -29.6546 1.00000
31 -29.6018 1.00000
32 -29.6017 1.00000
33 -29.5875 1.00000
34 -29.5819 1.00000
35 -29.5816 1.00000
36 -29.5808 1.00000
37 -29.5726 1.00000
38 -29.5720 1.00000
39 -29.5675 1.00000
40 -29.5634 1.00000
41 -29.5629 1.00000
42 -29.5614 1.00000
43 -29.5359 1.00000
44 -29.5358 1.00000
45 -29.5241 1.00000
46 -29.5241 1.00000
47 -29.4983 1.00000
48 -29.4930 1.00000
49 -29.4823 1.00000
50 -29.4796 1.00000
51 -29.4776 1.00000
52 -29.4774 1.00000
53 -29.4773 1.00000
54 -29.4766 1.00000
55 -29.4680 1.00000
56 -29.4643 1.00000
57 -29.4623 1.00000
58 -29.4494 1.00000
59 -29.4494 1.00000
60 -29.4444 1.00000
61 -29.4434 1.00000
62 -29.4418 1.00000
63 -29.4408 1.00000
64 -29.4404 1.00000
65 -14.2215 1.00000
66 -14.1251 1.00000
67 -13.9355 1.00000
68 -13.8941 1.00000
69 -13.8051 1.00000
70 -13.7910 1.00000
71 -13.5001 1.00000
72 -13.4143 1.00000
73 -13.3058 1.00000
74 -13.3003 1.00000
75 -13.2821 1.00000
76 -13.2813 1.00000
77 -13.2030 1.00000
78 -13.1956 1.00000
79 -13.1456 1.00000
80 -13.1427 1.00000
81 -13.1402 1.00000
82 -13.1086 1.00000
83 -13.0569 1.00000
84 -13.0411 1.00000
85 -13.0336 1.00000
86 -13.0063 1.00000
87 -12.9919 1.00000
88 -12.9879 1.00000
89 -12.8990 1.00000
90 -12.8968 1.00000
91 -12.8929 1.00000
92 -12.8822 1.00000
93 -12.8639 1.00000
94 -12.8568 1.00000
95 -12.8112 1.00000
96 -12.8009 1.00000
97 -1.4358 1.00000
98 -1.4048 1.00000
99 -1.3841 1.00000
100 -1.3777 1.00000
101 -1.2984 1.00000
102 -1.2666 1.00000
103 -1.2293 1.00000
104 -1.1983 1.00000
105 -0.9128 1.00000
106 -0.8895 1.00000
107 -0.8771 1.00000
108 -0.8730 1.00000
109 -0.8706 1.00000
110 -0.8526 1.00000
111 -0.7785 1.00000
112 -0.7674 1.00000
113 -0.6181 1.00000
114 -0.6042 1.00000
115 -0.5921 1.00000
116 -0.5860 1.00000
117 -0.5839 1.00000
118 -0.5524 1.00000
119 -0.5509 1.00000
120 -0.5071 1.00000
121 -0.4980 1.00000
122 -0.4923 1.00000
123 -0.4613 1.00000
124 -0.4610 1.00000
125 -0.4338 1.00000
126 -0.4262 1.00000
127 -0.4134 1.00000
128 -0.4094 1.00000
129 -0.3646 1.00000
130 -0.3290 1.00000
131 -0.1909 1.00000
132 -0.1697 1.00000
133 -0.1543 1.00000
134 -0.1470 1.00000
135 -0.0700 1.00000
136 -0.0445 1.00000
137 0.0576 1.00000
138 0.0971 1.00000
139 0.4491 1.00000
140 0.4797 1.00000
141 0.6271 1.00000
142 0.6913 1.00000
143 0.8051 1.00000
144 0.8893 1.00000
145 0.8935 1.00000
146 0.9427 1.00000
147 0.9631 1.00000
148 0.9882 1.00000
149 1.0325 1.00000
150 1.1429 1.00000
151 1.1598 1.00000
152 1.1770 1.00000
153 1.1875 1.00000
154 1.1976 1.00000
155 1.3264 1.00000
156 1.3384 1.00000
157 1.3436 1.00000
158 1.4196 1.00000
159 1.4784 1.00000
160 1.5528 1.00000
161 1.6098 1.00000
162 1.7079 1.00000
163 1.7211 1.00000
164 1.7770 1.00000
165 1.8145 1.00000
166 1.8196 1.00000
167 1.8928 1.00000
168 1.9014 1.00000
169 1.9365 1.00000
170 1.9410 1.00000
171 1.9777 1.00000
172 2.0319 1.00000
173 2.2441 1.00000
174 2.2567 1.00000
175 2.2865 1.00000
176 2.3465 1.00000
177 2.3509 1.00000
178 2.3605 1.00000
179 2.5012 1.00000
180 2.5102 1.00000
181 2.5579 1.00000
182 2.5586 1.00000
183 2.5694 1.00000
184 2.5757 1.00000
185 2.6001 1.00000
186 2.6814 1.00000
187 2.7491 1.00000
188 2.7669 1.00000
189 2.7698 1.00000
190 2.7885 1.00000
191 2.9683 1.00000
192 2.9688 1.00000
193 5.6066 0.00000
194 5.6267 0.00000
195 5.9104 0.00000
196 5.9343 0.00000
197 6.1667 0.00000
198 6.1840 0.00000
199 6.2154 0.00000
200 6.2282 0.00000
201 6.2907 0.00000
202 6.3057 0.00000
203 6.3507 0.00000
204 6.3666 0.00000
205 6.4395 0.00000
206 6.4430 0.00000
207 6.4715 0.00000
208 6.4720 0.00000
209 6.5861 0.00000
210 6.5894 0.00000
211 6.5980 0.00000
212 6.6088 0.00000
213 6.6155 0.00000
214 6.6195 0.00000
215 6.6483 0.00000
216 6.6525 0.00000
217 6.6564 0.00000
218 6.6705 0.00000
219 6.6803 0.00000
220 6.6888 0.00000
221 6.7392 0.00000
222 6.7418 0.00000
223 6.7599 0.00000
224 6.7800 0.00000
225 6.8389 0.00000
226 6.8719 0.00000
227 7.0418 0.00000
228 7.0604 0.00000
229 7.1905 0.00000
230 7.2251 0.00000
231 7.2472 0.00000
232 7.2753 0.00000
233 7.3752 0.00000
234 7.4004 0.00000
235 7.4495 0.00000
236 7.4524 0.00000
237 7.7124 0.00000
238 7.7213 0.00000
239 7.7563 0.00000
240 7.7695 0.00000
241 8.0226 0.00000
242 8.0636 0.00000
243 8.2849 0.00000
244 8.3054 0.00000
245 8.5468 0.00000
246 8.5772 0.00000
247 8.5785 0.00000
248 8.5875 0.00000
249 8.6465 0.00000
250 8.7062 0.00000
251 9.0338 0.00000
252 9.0596 0.00000
253 9.1159 0.00000
254 9.1457 0.00000
255 9.2985 0.00000
256 9.4209 0.00000
k-point 15 : 0.4167 0.0833 0.4167
band No. band energies occupation
1 -53.3363 1.00000
2 -53.3341 1.00000
3 -53.3322 1.00000
4 -53.3307 1.00000
5 -53.3268 1.00000
6 -53.3260 1.00000
7 -53.3240 1.00000
8 -53.3231 1.00000
9 -53.3081 1.00000
10 -53.3072 1.00000
11 -53.3063 1.00000
12 -53.3055 1.00000
13 -53.3046 1.00000
14 -53.3041 1.00000
15 -53.3011 1.00000
16 -53.2999 1.00000
17 -29.7426 1.00000
18 -29.7420 1.00000
19 -29.7403 1.00000
20 -29.7387 1.00000
21 -29.7383 1.00000
22 -29.7372 1.00000
23 -29.7209 1.00000
24 -29.7120 1.00000
25 -29.6949 1.00000
26 -29.6925 1.00000
27 -29.6811 1.00000
28 -29.6791 1.00000
29 -29.6386 1.00000
30 -29.6325 1.00000
31 -29.6129 1.00000
32 -29.6059 1.00000
33 -29.5972 1.00000
34 -29.5972 1.00000
35 -29.5866 1.00000
36 -29.5863 1.00000
37 -29.5669 1.00000
38 -29.5666 1.00000
39 -29.5663 1.00000
40 -29.5649 1.00000
41 -29.5623 1.00000
42 -29.5617 1.00000
43 -29.5503 1.00000
44 -29.5500 1.00000
45 -29.5172 1.00000
46 -29.5160 1.00000
47 -29.5077 1.00000
48 -29.5047 1.00000
49 -29.4815 1.00000
50 -29.4806 1.00000
51 -29.4772 1.00000
52 -29.4772 1.00000
53 -29.4749 1.00000
54 -29.4735 1.00000
55 -29.4703 1.00000
56 -29.4685 1.00000
57 -29.4602 1.00000
58 -29.4540 1.00000
59 -29.4437 1.00000
60 -29.4415 1.00000
61 -29.4413 1.00000
62 -29.4408 1.00000
63 -29.4387 1.00000
64 -29.4384 1.00000
65 -14.1243 1.00000
66 -14.0375 1.00000
67 -14.0193 1.00000
68 -13.9517 1.00000
69 -13.6586 1.00000
70 -13.6436 1.00000
71 -13.4765 1.00000
72 -13.4601 1.00000
73 -13.4178 1.00000
74 -13.3411 1.00000
75 -13.2967 1.00000
76 -13.2642 1.00000
77 -13.2466 1.00000
78 -13.2439 1.00000
79 -13.2147 1.00000
80 -13.2105 1.00000
81 -13.0851 1.00000
82 -13.0834 1.00000
83 -13.0589 1.00000
84 -13.0487 1.00000
85 -12.9912 1.00000
86 -12.9671 1.00000
87 -12.9583 1.00000
88 -12.9513 1.00000
89 -12.9368 1.00000
90 -12.9073 1.00000
91 -12.9061 1.00000
92 -12.9023 1.00000
93 -12.8819 1.00000
94 -12.8759 1.00000
95 -12.8539 1.00000
96 -12.8426 1.00000
97 -1.3795 1.00000
98 -1.3563 1.00000
99 -1.3551 1.00000
100 -1.3464 1.00000
101 -1.2943 1.00000
102 -1.2773 1.00000
103 -1.2285 1.00000
104 -1.1866 1.00000
105 -1.1672 1.00000
106 -1.1519 1.00000
107 -1.0842 1.00000
108 -1.0608 1.00000
109 -0.9029 1.00000
110 -0.8972 1.00000
111 -0.8446 1.00000
112 -0.8433 1.00000
113 -0.6017 1.00000
114 -0.5863 1.00000
115 -0.5808 1.00000
116 -0.5757 1.00000
117 -0.5656 1.00000
118 -0.5601 1.00000
119 -0.4935 1.00000
120 -0.4717 1.00000
121 -0.4545 1.00000
122 -0.4473 1.00000
123 -0.4261 1.00000
124 -0.3995 1.00000
125 -0.3451 1.00000
126 -0.3329 1.00000
127 -0.3171 1.00000
128 -0.3084 1.00000
129 -0.3044 1.00000
130 -0.2826 1.00000
131 -0.2636 1.00000
132 -0.2179 1.00000
133 0.0628 1.00000
134 0.1106 1.00000
135 0.2971 1.00000
136 0.3505 1.00000
137 0.3771 1.00000
138 0.3895 1.00000
139 0.5088 1.00000
140 0.5134 1.00000
141 0.5573 1.00000
142 0.5852 1.00000
143 0.6934 1.00000
144 0.7116 1.00000
145 0.7700 1.00000
146 0.7960 1.00000
147 0.8607 1.00000
148 0.9636 1.00000
149 1.0668 1.00000
150 1.0728 1.00000
151 1.0815 1.00000
152 1.1175 1.00000
153 1.1261 1.00000
154 1.2470 1.00000
155 1.2777 1.00000
156 1.2853 1.00000
157 1.2878 1.00000
158 1.3521 1.00000
159 1.3672 1.00000
160 1.4372 1.00000
161 1.5063 1.00000
162 1.5657 1.00000
163 1.6361 1.00000
164 1.6609 1.00000
165 1.6920 1.00000
166 1.7244 1.00000
167 1.8268 1.00000
168 1.8903 1.00000
169 2.1294 1.00000
170 2.1320 1.00000
171 2.1752 1.00000
172 2.2081 1.00000
173 2.2911 1.00000
174 2.3241 1.00000
175 2.3972 1.00000
176 2.4287 1.00000
177 2.4489 1.00000
178 2.4630 1.00000
179 2.4786 1.00000
180 2.4952 1.00000
181 2.5594 1.00000
182 2.5657 1.00000
183 2.5973 1.00000
184 2.6009 1.00000
185 2.6189 1.00000
186 2.6199 1.00000
187 2.6221 1.00000
188 2.6607 1.00000
189 2.7533 1.00000
190 2.7619 1.00000
191 2.9036 1.00000
192 2.9088 1.00000
193 5.8457 0.00000
194 5.8799 0.00000
195 6.0180 0.00000
196 6.0517 0.00000
197 6.1526 0.00000
198 6.1639 0.00000
199 6.1711 0.00000
200 6.2031 0.00000
201 6.2089 0.00000
202 6.2186 0.00000
203 6.2518 0.00000
204 6.2573 0.00000
205 6.3409 0.00000
206 6.3435 0.00000
207 6.3536 0.00000
208 6.3605 0.00000
209 6.4146 0.00000
210 6.4431 0.00000
211 6.5027 0.00000
212 6.5231 0.00000
213 6.5842 0.00000
214 6.6091 0.00000
215 6.6123 0.00000
216 6.6172 0.00000
217 6.6195 0.00000
218 6.6383 0.00000
219 6.6439 0.00000
220 6.6538 0.00000
221 6.6958 0.00000
222 6.7031 0.00000
223 6.7282 0.00000
224 6.7300 0.00000
225 6.7917 0.00000
226 6.8211 0.00000
227 6.8425 0.00000
228 6.8540 0.00000
229 7.2735 0.00000
230 7.3027 0.00000
231 7.3446 0.00000
232 7.3665 0.00000
233 7.3732 0.00000
234 7.3902 0.00000
235 7.4366 0.00000
236 7.4625 0.00000
237 7.5242 0.00000
238 7.5365 0.00000
239 7.5962 0.00000
240 7.6141 0.00000
241 8.1030 0.00000
242 8.1387 0.00000
243 8.1880 0.00000
244 8.2168 0.00000
245 8.7818 0.00000
246 8.7866 0.00000
247 8.8266 0.00000
248 8.8677 0.00000
249 8.8809 0.00000
250 8.9435 0.00000
251 8.9483 0.00000
252 8.9501 0.00000
253 8.9583 0.00000
254 8.9833 0.00000
255 9.1039 0.00000
256 9.2269 0.00000
k-point 16 : 0.2500 0.2500 0.4167
band No. band energies occupation
1 -53.3371 1.00000
2 -53.3327 1.00000
3 -53.3308 1.00000
4 -53.3308 1.00000
5 -53.3284 1.00000
6 -53.3284 1.00000
7 -53.3232 1.00000
8 -53.3214 1.00000
9 -53.3095 1.00000
10 -53.3077 1.00000
11 -53.3053 1.00000
12 -53.3053 1.00000
13 -53.3039 1.00000
14 -53.3030 1.00000
15 -53.3030 1.00000
16 -53.2996 1.00000
17 -29.7429 1.00000
18 -29.7429 1.00000
19 -29.7426 1.00000
20 -29.7360 1.00000
21 -29.7347 1.00000
22 -29.7311 1.00000
23 -29.7311 1.00000
24 -29.7085 1.00000
25 -29.7020 1.00000
26 -29.6965 1.00000
27 -29.6627 1.00000
28 -29.6627 1.00000
29 -29.6581 1.00000
30 -29.6581 1.00000
31 -29.6008 1.00000
32 -29.6007 1.00000
33 -29.5972 1.00000
34 -29.5892 1.00000
35 -29.5744 1.00000
36 -29.5736 1.00000
37 -29.5735 1.00000
38 -29.5735 1.00000
39 -29.5731 1.00000
40 -29.5718 1.00000
41 -29.5718 1.00000
42 -29.5695 1.00000
43 -29.5321 1.00000
44 -29.5321 1.00000
45 -29.5315 1.00000
46 -29.5315 1.00000
47 -29.5044 1.00000
48 -29.4997 1.00000
49 -29.4829 1.00000
50 -29.4792 1.00000
51 -29.4792 1.00000
52 -29.4776 1.00000
53 -29.4763 1.00000
54 -29.4763 1.00000
55 -29.4689 1.00000
56 -29.4648 1.00000
57 -29.4623 1.00000
58 -29.4466 1.00000
59 -29.4466 1.00000
60 -29.4447 1.00000
61 -29.4440 1.00000
62 -29.4382 1.00000
63 -29.4382 1.00000
64 -29.4381 1.00000
65 -14.1604 1.00000
66 -14.0662 1.00000
67 -13.8570 1.00000
68 -13.8570 1.00000
69 -13.8145 1.00000
70 -13.8145 1.00000
71 -13.4625 1.00000
72 -13.3938 1.00000
73 -13.3772 1.00000
74 -13.3507 1.00000
75 -13.2785 1.00000
76 -13.2531 1.00000
77 -13.1583 1.00000
78 -13.1583 1.00000
79 -13.1516 1.00000
80 -13.1516 1.00000
81 -13.1317 1.00000
82 -13.1317 1.00000
83 -13.0954 1.00000
84 -13.0954 1.00000
85 -13.0928 1.00000
86 -13.0555 1.00000
87 -13.0160 1.00000
88 -12.9713 1.00000
89 -12.9142 1.00000
90 -12.9035 1.00000
91 -12.8911 1.00000
92 -12.8911 1.00000
93 -12.8734 1.00000
94 -12.8734 1.00000
95 -12.8172 1.00000
96 -12.7985 1.00000
97 -1.4446 1.00000
98 -1.4312 1.00000
99 -1.4312 1.00000
100 -1.4299 1.00000
101 -1.4047 1.00000
102 -1.4047 1.00000
103 -1.3309 1.00000
104 -1.2897 1.00000
105 -0.9215 1.00000
106 -0.9214 1.00000
107 -0.7963 1.00000
108 -0.7963 1.00000
109 -0.7954 1.00000
110 -0.7924 1.00000
111 -0.7924 1.00000
112 -0.7864 1.00000
113 -0.6844 1.00000
114 -0.5862 1.00000
115 -0.5862 1.00000
116 -0.5832 1.00000
117 -0.5216 1.00000
118 -0.4901 1.00000
119 -0.4791 1.00000
120 -0.4436 1.00000
121 -0.4436 1.00000
122 -0.4398 1.00000
123 -0.4068 1.00000
124 -0.4068 1.00000
125 -0.3992 1.00000
126 -0.3992 1.00000
127 -0.3246 1.00000
128 -0.2963 1.00000
129 -0.1747 1.00000
130 -0.1720 1.00000
131 -0.1221 1.00000
132 -0.0884 1.00000
133 -0.0766 1.00000
134 -0.0766 1.00000
135 -0.0464 1.00000
136 -0.0464 1.00000
137 -0.0163 1.00000
138 0.1000 1.00000
139 0.4565 1.00000
140 0.5201 1.00000
141 0.5300 1.00000
142 0.5300 1.00000
143 0.6388 1.00000
144 0.6388 1.00000
145 0.7793 1.00000
146 0.8069 1.00000
147 0.9460 1.00000
148 0.9460 1.00000
149 1.0191 1.00000
150 1.0191 1.00000
151 1.1514 1.00000
152 1.2042 1.00000
153 1.3392 1.00000
154 1.3392 1.00000
155 1.3603 1.00000
156 1.3603 1.00000
157 1.3692 1.00000
158 1.4067 1.00000
159 1.6213 1.00000
160 1.6349 1.00000
161 1.7304 1.00000
162 1.7304 1.00000
163 1.7440 1.00000
164 1.7598 1.00000
165 1.8221 1.00000
166 1.8221 1.00000
167 1.8344 1.00000
168 1.8512 1.00000
169 1.9639 1.00000
170 1.9639 1.00000
171 1.9719 1.00000
172 1.9719 1.00000
173 2.0422 1.00000
174 2.1329 1.00000
175 2.3597 1.00000
176 2.3789 1.00000
177 2.4287 1.00000
178 2.4613 1.00000
179 2.4870 1.00000
180 2.4870 1.00000
181 2.4998 1.00000
182 2.4998 1.00000
183 2.6491 1.00000
184 2.6529 1.00000
185 2.6529 1.00000
186 2.6530 1.00000
187 2.6530 1.00000
188 2.7005 1.00000
189 2.7600 1.00000
190 2.7993 1.00000
191 2.9623 1.00000
192 2.9696 1.00000
193 5.8172 0.00000
194 5.8275 0.00000
195 5.9468 0.00000
196 5.9608 0.00000
197 6.1383 0.00000
198 6.1382 0.00000
199 6.1471 0.00000
200 6.1471 0.00000
201 6.2684 0.00000
202 6.2910 0.00000
203 6.2944 0.00000
204 6.2944 0.00000
205 6.3080 0.00000
206 6.3080 0.00000
207 6.4314 0.00000
208 6.4753 0.00000
209 6.5079 0.00000
210 6.5086 0.00000
211 6.5320 0.00000
212 6.5840 0.00000
213 6.5840 0.00000
214 6.5858 0.00000
215 6.5921 0.00000
216 6.5921 0.00000
217 6.6553 0.00000
218 6.6652 0.00000
219 6.6685 0.00000
220 6.6973 0.00000
221 6.7024 0.00000
222 6.7023 0.00000
223 6.7168 0.00000
224 6.7168 0.00000
225 6.8806 0.00000
226 6.8891 0.00000
227 6.9312 0.00000
228 6.9636 0.00000
229 7.0479 0.00000
230 7.0479 0.00000
231 7.0896 0.00000
232 7.0896 0.00000
233 7.3156 0.00000
234 7.3156 0.00000
235 7.3497 0.00000
236 7.3497 0.00000
237 7.5847 0.00000
238 7.6044 0.00000
239 7.6484 0.00000
240 7.6801 0.00000
241 8.2116 0.00000
242 8.2307 0.00000
243 8.5032 0.00000
244 8.5032 0.00000
245 8.5071 0.00000
246 8.5073 0.00000
247 8.7423 0.00000
248 8.8160 0.00000
249 8.9176 0.00000
250 8.9822 0.00000
251 8.9947 0.00000
252 9.0005 0.00000
253 9.2952 0.00000
254 9.3495 0.00000
255 9.4153 0.00000
256 9.4730 0.00000
k-point 17 : 0.4167 0.2500 0.4167
band No. band energies occupation
1 -53.3353 1.00000
2 -53.3331 1.00000
3 -53.3313 1.00000
4 -53.3297 1.00000
5 -53.3288 1.00000
6 -53.3265 1.00000
7 -53.3261 1.00000
8 -53.3239 1.00000
9 -53.3078 1.00000
10 -53.3064 1.00000
11 -53.3057 1.00000
12 -53.3050 1.00000
13 -53.3044 1.00000
14 -53.3041 1.00000
15 -53.3016 1.00000
16 -53.3004 1.00000
17 -29.7430 1.00000
18 -29.7429 1.00000
19 -29.7405 1.00000
20 -29.7378 1.00000
21 -29.7330 1.00000
22 -29.7317 1.00000
23 -29.7218 1.00000
24 -29.7138 1.00000
25 -29.6866 1.00000
26 -29.6806 1.00000
27 -29.6720 1.00000
28 -29.6665 1.00000
29 -29.6432 1.00000
30 -29.6364 1.00000
31 -29.6189 1.00000
32 -29.6109 1.00000
33 -29.5964 1.00000
34 -29.5961 1.00000
35 -29.5867 1.00000
36 -29.5858 1.00000
37 -29.5748 1.00000
38 -29.5744 1.00000
39 -29.5719 1.00000
40 -29.5718 1.00000
41 -29.5613 1.00000
42 -29.5603 1.00000
43 -29.5458 1.00000
44 -29.5448 1.00000
45 -29.5245 1.00000
46 -29.5228 1.00000
47 -29.5143 1.00000
48 -29.5111 1.00000
49 -29.4823 1.00000
50 -29.4809 1.00000
51 -29.4774 1.00000
52 -29.4772 1.00000
53 -29.4766 1.00000
54 -29.4737 1.00000
55 -29.4735 1.00000
56 -29.4694 1.00000
57 -29.4556 1.00000
58 -29.4504 1.00000
59 -29.4438 1.00000
60 -29.4430 1.00000
61 -29.4400 1.00000
62 -29.4378 1.00000
63 -29.4358 1.00000
64 -29.4357 1.00000
65 -14.0577 1.00000
66 -13.9710 1.00000
67 -13.9460 1.00000
68 -13.8771 1.00000
69 -13.7166 1.00000
70 -13.6717 1.00000
71 -13.5469 1.00000
72 -13.4995 1.00000
73 -13.3876 1.00000
74 -13.3088 1.00000
75 -13.2744 1.00000
76 -13.2333 1.00000
77 -13.2118 1.00000
78 -13.2099 1.00000
79 -13.1889 1.00000
80 -13.1721 1.00000
81 -13.1340 1.00000
82 -13.1183 1.00000
83 -13.1091 1.00000
84 -13.0810 1.00000
85 -13.0531 1.00000
86 -13.0486 1.00000
87 -12.9785 1.00000
88 -12.9750 1.00000
89 -12.9666 1.00000
90 -12.9383 1.00000
91 -12.9277 1.00000
92 -12.8972 1.00000
93 -12.8745 1.00000
94 -12.8546 1.00000
95 -12.8472 1.00000
96 -12.8253 1.00000
97 -1.4401 1.00000
98 -1.4333 1.00000
99 -1.4262 1.00000
100 -1.4114 1.00000
101 -1.3763 1.00000
102 -1.3581 1.00000
103 -1.2863 1.00000
104 -1.2495 1.00000
105 -1.1683 1.00000
106 -1.1589 1.00000
107 -1.0899 1.00000
108 -1.0726 1.00000
109 -0.8231 1.00000
110 -0.8158 1.00000
111 -0.8093 1.00000
112 -0.8049 1.00000
113 -0.6427 1.00000
114 -0.6088 1.00000
115 -0.5758 1.00000
116 -0.5652 1.00000
117 -0.4715 1.00000
118 -0.4524 1.00000
119 -0.4438 1.00000
120 -0.4253 1.00000
121 -0.3697 1.00000
122 -0.3623 1.00000
123 -0.3587 1.00000
124 -0.3359 1.00000
125 -0.2966 1.00000
126 -0.2948 1.00000
127 -0.2750 1.00000
128 -0.2698 1.00000
129 -0.1326 1.00000
130 -0.1007 1.00000
131 -0.1006 1.00000
132 -0.0619 1.00000
133 -0.0016 1.00000
134 0.1216 1.00000
135 0.2268 1.00000
136 0.3427 1.00000
137 0.3501 1.00000
138 0.3524 1.00000
139 0.5111 1.00000
140 0.5343 1.00000
141 0.5528 1.00000
142 0.5833 1.00000
143 0.6035 1.00000
144 0.6208 1.00000
145 0.6247 1.00000
146 0.7090 1.00000
147 0.7446 1.00000
148 0.7479 1.00000
149 1.0424 1.00000
150 1.0454 1.00000
151 1.0683 1.00000
152 1.1643 1.00000
153 1.1831 1.00000
154 1.1877 1.00000
155 1.2529 1.00000
156 1.3821 1.00000
157 1.4084 1.00000
158 1.4459 1.00000
159 1.4565 1.00000
160 1.5099 1.00000
161 1.5280 1.00000
162 1.5382 1.00000
163 1.6581 1.00000
164 1.6874 1.00000
165 1.7088 1.00000
166 1.7145 1.00000
167 1.8390 1.00000
168 1.8659 1.00000
169 2.0533 1.00000
170 2.0925 1.00000
171 2.1482 1.00000
172 2.1629 1.00000
173 2.1709 1.00000
174 2.2058 1.00000
175 2.2539 1.00000
176 2.2984 1.00000
177 2.4691 1.00000
178 2.4847 1.00000
179 2.4878 1.00000
180 2.5005 1.00000
181 2.5158 1.00000
182 2.5169 1.00000
183 2.5389 1.00000
184 2.5730 1.00000
185 2.7219 1.00000
186 2.7339 1.00000
187 2.7480 1.00000
188 2.7964 1.00000
189 2.8064 1.00000
190 2.8212 1.00000
191 2.9155 1.00000
192 2.9328 1.00000
193 5.9637 0.00000
194 5.9772 0.00000
195 6.0466 0.00000
196 6.0487 0.00000
197 6.0915 0.00000
198 6.1096 0.00000
199 6.1467 0.00000
200 6.1477 0.00000
201 6.1573 0.00000
202 6.1645 0.00000
203 6.2588 0.00000
204 6.2674 0.00000
205 6.2698 0.00000
206 6.2701 0.00000
207 6.3363 0.00000
208 6.3644 0.00000
209 6.3655 0.00000
210 6.4224 0.00000
211 6.4835 0.00000
212 6.4941 0.00000
213 6.5314 0.00000
214 6.5659 0.00000
215 6.5843 0.00000
216 6.5899 0.00000
217 6.6505 0.00000
218 6.6501 0.00000
219 6.6582 0.00000
220 6.6704 0.00000
221 6.6772 0.00000
222 6.6815 0.00000
223 6.6808 0.00000
224 6.7089 0.00000
225 6.7276 0.00000
226 6.7501 0.00000
227 6.7859 0.00000
228 6.8159 0.00000
229 7.0431 0.00000
230 7.0695 0.00000
231 7.1825 0.00000
232 7.1922 0.00000
233 7.2229 0.00000
234 7.2232 0.00000
235 7.3325 0.00000
236 7.3843 0.00000
237 7.3844 0.00000
238 7.4120 0.00000
239 7.4838 0.00000
240 7.5275 0.00000
241 8.3177 0.00000
242 8.3295 0.00000
243 8.4063 0.00000
244 8.4137 0.00000
245 8.6905 0.00000
246 8.6945 0.00000
247 8.8370 0.00000
248 8.8438 0.00000
249 8.9870 0.00000
250 9.0907 0.00000
251 9.1628 0.00000
252 9.2056 0.00000
253 9.2614 0.00000
254 9.2813 0.00000
255 9.3818 0.00000
256 9.3958 0.00000
k-point 18 : 0.4167 0.4167 0.4167
band No. band energies occupation
1 -53.3335 1.00000
2 -53.3312 1.00000
3 -53.3312 1.00000
4 -53.3298 1.00000
5 -53.3287 1.00000
6 -53.3280 1.00000
7 -53.3280 1.00000
8 -53.3258 1.00000
9 -53.3069 1.00000
10 -53.3058 1.00000
11 -53.3058 1.00000
12 -53.3051 1.00000
13 -53.3040 1.00000
14 -53.3026 1.00000
15 -53.3026 1.00000
16 -53.3013 1.00000
17 -29.7422 1.00000
18 -29.7411 1.00000
19 -29.7411 1.00000
20 -29.7390 1.00000
21 -29.7278 1.00000
22 -29.7240 1.00000
23 -29.7240 1.00000
24 -29.7177 1.00000
25 -29.6708 1.00000
26 -29.6630 1.00000
27 -29.6543 1.00000
28 -29.6543 1.00000
29 -29.6464 1.00000
30 -29.6464 1.00000
31 -29.6338 1.00000
32 -29.6251 1.00000
33 -29.5932 1.00000
34 -29.5927 1.00000
35 -29.5859 1.00000
36 -29.5859 1.00000
37 -29.5846 1.00000
38 -29.5846 1.00000
39 -29.5826 1.00000
40 -29.5808 1.00000
41 -29.5505 1.00000
42 -29.5489 1.00000
43 -29.5370 1.00000
44 -29.5370 1.00000
45 -29.5350 1.00000
46 -29.5350 1.00000
47 -29.5254 1.00000
48 -29.5225 1.00000
49 -29.4818 1.00000
50 -29.4799 1.00000
51 -29.4799 1.00000
52 -29.4773 1.00000
53 -29.4763 1.00000
54 -29.4748 1.00000
55 -29.4748 1.00000
56 -29.4720 1.00000
57 -29.4504 1.00000
58 -29.4465 1.00000
59 -29.4465 1.00000
60 -29.4442 1.00000
61 -29.4363 1.00000
62 -29.4348 1.00000
63 -29.4348 1.00000
64 -29.4340 1.00000
65 -13.9437 1.00000
66 -13.8605 1.00000
67 -13.8177 1.00000
68 -13.8177 1.00000
69 -13.7475 1.00000
70 -13.7475 1.00000
71 -13.6698 1.00000
72 -13.6036 1.00000
73 -13.3304 1.00000
74 -13.2544 1.00000
75 -13.2416 1.00000
76 -13.2416 1.00000
77 -13.1919 1.00000
78 -13.1798 1.00000
79 -13.1798 1.00000
80 -13.1772 1.00000
81 -13.1539 1.00000
82 -13.1350 1.00000
83 -13.1171 1.00000
84 -13.1171 1.00000
85 -13.1004 1.00000
86 -13.1004 1.00000
87 -13.0412 1.00000
88 -13.0260 1.00000
89 -12.9502 1.00000
90 -12.9114 1.00000
91 -12.9078 1.00000
92 -12.9078 1.00000
93 -12.8760 1.00000
94 -12.8760 1.00000
95 -12.8760 1.00000
96 -12.8460 1.00000
97 -1.4246 1.00000
98 -1.4144 1.00000
99 -1.3779 1.00000
100 -1.3779 1.00000
101 -1.3725 1.00000
102 -1.3725 1.00000
103 -1.2608 1.00000
104 -1.2233 1.00000
105 -1.2214 1.00000
106 -1.2186 1.00000
107 -1.0940 1.00000
108 -1.0940 1.00000
109 -1.0716 1.00000
110 -1.0716 1.00000
111 -1.0537 1.00000
112 -1.0251 1.00000
113 -0.5951 1.00000
114 -0.5749 1.00000
115 -0.5749 1.00000
116 -0.5744 1.00000
117 -0.4226 1.00000
118 -0.3917 1.00000
119 -0.3917 1.00000
120 -0.3761 1.00000
121 -0.2941 1.00000
122 -0.2839 1.00000
123 -0.2839 1.00000
124 -0.2711 1.00000
125 -0.2324 1.00000
126 -0.2291 1.00000
127 -0.2291 1.00000
128 -0.2085 1.00000
129 0.0121 1.00000
130 0.1202 1.00000
131 0.1958 1.00000
132 0.1958 1.00000
133 0.2533 1.00000
134 0.2533 1.00000
135 0.3605 1.00000
136 0.3711 1.00000
137 0.3969 1.00000
138 0.4185 1.00000
139 0.4979 1.00000
140 0.4979 1.00000
141 0.5302 1.00000
142 0.5302 1.00000
143 0.6085 1.00000
144 0.6773 1.00000
145 0.6784 1.00000
146 0.6932 1.00000
147 0.8614 1.00000
148 0.8614 1.00000
149 0.9170 1.00000
150 0.9170 1.00000
151 0.9478 1.00000
152 0.9695 1.00000
153 1.1067 1.00000
154 1.1677 1.00000
155 1.1896 1.00000
156 1.1896 1.00000
157 1.2250 1.00000
158 1.2250 1.00000
159 1.3009 1.00000
160 1.3723 1.00000
161 1.5339 1.00000
162 1.5971 1.00000
163 1.6057 1.00000
164 1.6057 1.00000
165 1.6999 1.00000
166 1.6999 1.00000
167 1.7008 1.00000
168 1.8396 1.00000
169 2.1311 1.00000
170 2.1638 1.00000
171 2.1638 1.00000
172 2.2266 1.00000
173 2.2266 1.00000
174 2.2520 1.00000
175 2.2940 1.00000
176 2.3647 1.00000
177 2.4052 1.00000
178 2.4317 1.00000
179 2.4471 1.00000
180 2.4471 1.00000
181 2.4651 1.00000
182 2.4889 1.00000
183 2.5069 1.00000
184 2.5069 1.00000
185 2.8415 1.00000
186 2.8696 1.00000
187 2.8696 1.00000
188 2.8726 1.00000
189 2.8726 1.00000
190 2.8828 1.00000
191 2.9182 1.00000
192 2.9373 1.00000
193 5.9876 0.00000
194 6.0021 0.00000
195 6.0166 0.00000
196 6.0165 0.00000
197 6.0332 0.00000
198 6.0332 0.00000
199 6.0554 0.00000
200 6.0730 0.00000
201 6.2486 0.00000
202 6.2651 0.00000
203 6.2651 0.00000
204 6.2872 0.00000
205 6.2872 0.00000
206 6.2894 0.00000
207 6.3067 0.00000
208 6.3188 0.00000
209 6.3695 0.00000
210 6.3873 0.00000
211 6.4208 0.00000
212 6.4515 0.00000
213 6.4515 0.00000
214 6.4864 0.00000
215 6.4864 0.00000
216 6.5205 0.00000
217 6.6160 0.00000
218 6.6176 0.00000
219 6.6171 0.00000
220 6.6243 0.00000
221 6.6242 0.00000
222 6.6358 0.00000
223 6.6351 0.00000
224 6.6350 0.00000
225 6.7936 0.00000
226 6.8279 0.00000
227 6.9507 0.00000
228 6.9506 0.00000
229 6.9941 0.00000
230 6.9940 0.00000
231 6.9985 0.00000
232 7.0709 0.00000
233 7.1665 0.00000
234 7.1672 0.00000
235 7.1672 0.00000
236 7.2026 0.00000
237 7.2305 0.00000
238 7.2305 0.00000
239 7.3153 0.00000
240 7.3738 0.00000
241 8.4663 0.00000
242 8.4693 0.00000
243 8.5777 0.00000
244 8.5778 0.00000
245 8.5789 0.00000
246 8.5790 0.00000
247 8.7061 0.00000
248 8.7110 0.00000
249 9.1580 0.00000
250 9.2684 0.00000
251 9.2860 0.00000
252 9.2876 0.00000
253 9.3886 0.00000
254 9.4213 0.00000
255 9.4623 0.00000
256 9.6157 0.00000
spin component 2
k-point 1 : 0.0833 0.0833 0.0833
band No. band energies occupation
1 -53.3440 1.00000
2 -53.3312 1.00000
3 -53.3312 1.00000
4 -53.3279 1.00000
5 -53.3279 1.00000
6 -53.3222 1.00000
7 -53.3182 1.00000
8 -53.3156 1.00000
9 -53.3153 1.00000
10 -53.3145 1.00000
11 -53.3116 1.00000
12 -53.3058 1.00000
13 -53.3058 1.00000
14 -53.3026 1.00000
15 -53.3026 1.00000
16 -53.2937 1.00000
17 -29.7675 1.00000
18 -29.7534 1.00000
19 -29.7534 1.00000
20 -29.7402 1.00000
21 -29.7402 1.00000
22 -29.7397 1.00000
23 -29.7298 1.00000
24 -29.7278 1.00000
25 -29.7188 1.00000
26 -29.6563 1.00000
27 -29.6563 1.00000
28 -29.6539 1.00000
29 -29.6539 1.00000
30 -29.6237 1.00000
31 -29.6003 1.00000
32 -29.5979 1.00000
33 -29.5955 1.00000
34 -29.5929 1.00000
35 -29.5880 1.00000
36 -29.5718 1.00000
37 -29.5629 1.00000
38 -29.5629 1.00000
39 -29.5625 1.00000
40 -29.5605 1.00000
41 -29.5605 1.00000
42 -29.5566 1.00000
43 -29.5546 1.00000
44 -29.5416 1.00000
45 -29.5416 1.00000
46 -29.5400 1.00000
47 -29.5400 1.00000
48 -29.4925 1.00000
49 -29.4909 1.00000
50 -29.4798 1.00000
51 -29.4798 1.00000
52 -29.4771 1.00000
53 -29.4771 1.00000
54 -29.4711 1.00000
55 -29.4710 1.00000
56 -29.4602 1.00000
57 -29.4533 1.00000
58 -29.4519 1.00000
59 -29.4443 1.00000
60 -29.4439 1.00000
61 -29.4439 1.00000
62 -29.4340 1.00000
63 -29.4340 1.00000
64 -29.4214 1.00000
65 -14.3867 1.00000
66 -13.9243 1.00000
67 -13.9051 1.00000
68 -13.9051 1.00000
69 -13.8542 1.00000
70 -13.8542 1.00000
71 -13.7868 1.00000
72 -13.3962 1.00000
73 -13.3202 1.00000
74 -13.2204 1.00000
75 -13.1913 1.00000
76 -13.1896 1.00000
77 -13.1896 1.00000
78 -13.1798 1.00000
79 -13.1798 1.00000
80 -13.1662 1.00000
81 -13.1241 1.00000
82 -13.1059 1.00000
83 -13.0412 1.00000
84 -13.0299 1.00000
85 -13.0299 1.00000
86 -12.9707 1.00000
87 -12.9707 1.00000
88 -12.9525 1.00000
89 -12.9188 1.00000
90 -12.9188 1.00000
91 -12.9108 1.00000
92 -12.9108 1.00000
93 -12.8348 1.00000
94 -12.8125 1.00000
95 -12.8072 1.00000
96 -12.7814 1.00000
97 -1.3405 1.00000
98 -1.3405 1.00000
99 -1.3145 1.00000
100 -1.2678 1.00000
101 -1.2611 1.00000
102 -1.1780 1.00000
103 -1.1780 1.00000
104 -1.1143 1.00000
105 -1.0545 1.00000
106 -1.0326 1.00000
107 -1.0326 1.00000
108 -0.8765 1.00000
109 -0.8290 1.00000
110 -0.7984 1.00000
111 -0.7872 1.00000
112 -0.7872 1.00000
113 -0.7065 1.00000
114 -0.6575 1.00000
115 -0.6382 1.00000
116 -0.6125 1.00000
117 -0.5986 1.00000
118 -0.5793 1.00000
119 -0.5793 1.00000
120 -0.5529 1.00000
121 -0.5529 1.00000
122 -0.5482 1.00000
123 -0.5482 1.00000
124 -0.5331 1.00000
125 -0.5331 1.00000
126 -0.5061 1.00000
127 -0.4924 1.00000
128 -0.4911 1.00000
129 -0.4585 1.00000
130 -0.4349 1.00000
131 -0.4304 1.00000
132 -0.2408 1.00000
133 0.0745 1.00000
134 0.0745 1.00000
135 0.1481 1.00000
136 0.1481 1.00000
137 0.4401 1.00000
138 0.4497 1.00000
139 0.4720 1.00000
140 0.4720 1.00000
141 0.5642 1.00000
142 0.6350 1.00000
143 0.7617 1.00000
144 0.7617 1.00000
145 0.9633 1.00000
146 0.9888 1.00000
147 0.9888 1.00000
148 1.0968 1.00000
149 1.0968 1.00000
150 1.1127 1.00000
151 1.1280 1.00000
152 1.1467 1.00000
153 1.1512 1.00000
154 1.1512 1.00000
155 1.1677 1.00000
156 1.1707 1.00000
157 1.2200 1.00000
158 1.2554 1.00000
159 1.2554 1.00000
160 1.2797 1.00000
161 1.4425 1.00000
162 1.8398 1.00000
163 1.8470 1.00000
164 1.8666 1.00000
165 1.8667 1.00000
166 1.8667 1.00000
167 1.9132 1.00000
168 1.9662 1.00000
169 1.9662 1.00000
170 2.1649 1.00000
171 2.1649 1.00000
172 2.2068 1.00000
173 2.2068 1.00000
174 2.2248 1.00000
175 2.2248 1.00000
176 2.2380 1.00000
177 2.2380 1.00000
178 2.2842 1.00000
179 2.2864 1.00000
180 2.3254 1.00000
181 2.3254 1.00000
182 2.3565 1.00000
183 2.3565 1.00000
184 2.3662 1.00000
185 2.6353 1.00000
186 2.7463 1.00000
187 2.9668 1.00000
188 2.9745 1.00000
189 3.0091 1.00000
190 3.0721 1.00000
191 3.0942 1.00000
192 3.1377 1.00000
193 5.3061 0.00000
194 5.5552 0.00000
195 5.6350 0.00000
196 5.9051 0.00000
197 6.2817 0.00000
198 6.3357 0.00000
199 6.3357 0.00000
200 6.3370 0.00000
201 6.3460 0.00000
202 6.3460 0.00000
203 6.3489 0.00000
204 6.4091 0.00000
205 6.4458 0.00000
206 6.4458 0.00000
207 6.4768 0.00000
208 6.4768 0.00000
209 6.5827 0.00000
210 6.5827 0.00000
211 6.6045 0.00000
212 6.6045 0.00000
213 6.6718 0.00000
214 6.6717 0.00000
215 6.7033 0.00000
216 6.7032 0.00000
217 6.7212 0.00000
218 6.7587 0.00000
219 6.7608 0.00000
220 6.7736 0.00000
221 6.7934 0.00000
222 6.8396 0.00000
223 6.9247 0.00000
224 6.9636 0.00000
225 7.0309 0.00000
226 7.0484 0.00000
227 7.2070 0.00000
228 7.2081 0.00000
229 7.2742 0.00000
230 7.2741 0.00000
231 7.3425 0.00000
232 7.3425 0.00000
233 7.4200 0.00000
234 7.4199 0.00000
235 7.4556 0.00000
236 7.4556 0.00000
237 7.8241 0.00000
238 7.8501 0.00000
239 7.8502 0.00000
240 7.8810 0.00000
241 7.9729 0.00000
242 8.0644 0.00000
243 8.1182 0.00000
244 8.2326 0.00000
245 8.3606 0.00000
246 8.3607 0.00000
247 8.3821 0.00000
248 8.3822 0.00000
249 8.3908 0.00000
250 8.7516 0.00000
251 8.9380 0.00000
252 9.0758 0.00000
253 9.0908 0.00000
254 9.1732 0.00000
255 9.3065 0.00000
256 9.3330 0.00000
k-point 2 : 0.2500 0.0833 0.0833
band No. band energies occupation
1 -53.3429 1.00000
2 -53.3346 1.00000
3 -53.3300 1.00000
4 -53.3268 1.00000
5 -53.3252 1.00000
6 -53.3219 1.00000
7 -53.3217 1.00000
8 -53.3185 1.00000
9 -53.3153 1.00000
10 -53.3119 1.00000
11 -53.3091 1.00000
12 -53.3086 1.00000
13 -53.3064 1.00000
14 -53.3032 1.00000
15 -53.2997 1.00000
16 -53.2943 1.00000
17 -29.7668 1.00000
18 -29.7604 1.00000
19 -29.7526 1.00000
20 -29.7459 1.00000
21 -29.7395 1.00000
22 -29.7343 1.00000
23 -29.7198 1.00000
24 -29.7124 1.00000
25 -29.7037 1.00000
26 -29.6623 1.00000
27 -29.6588 1.00000
28 -29.6491 1.00000
29 -29.6410 1.00000
30 -29.6376 1.00000
31 -29.6043 1.00000
32 -29.5994 1.00000
33 -29.5968 1.00000
34 -29.5875 1.00000
35 -29.5842 1.00000
36 -29.5716 1.00000
37 -29.5707 1.00000
38 -29.5707 1.00000
39 -29.5701 1.00000
40 -29.5655 1.00000
41 -29.5584 1.00000
42 -29.5553 1.00000
43 -29.5516 1.00000
44 -29.5481 1.00000
45 -29.5459 1.00000
46 -29.5415 1.00000
47 -29.5347 1.00000
48 -29.4998 1.00000
49 -29.4901 1.00000
50 -29.4827 1.00000
51 -29.4801 1.00000
52 -29.4766 1.00000
53 -29.4748 1.00000
54 -29.4713 1.00000
55 -29.4707 1.00000
56 -29.4679 1.00000
57 -29.4613 1.00000
58 -29.4540 1.00000
59 -29.4462 1.00000
60 -29.4422 1.00000
61 -29.4373 1.00000
62 -29.4323 1.00000
63 -29.4256 1.00000
64 -29.4194 1.00000
65 -14.3254 1.00000
66 -13.9869 1.00000
67 -13.8837 1.00000
68 -13.8302 1.00000
69 -13.8246 1.00000
70 -13.7723 1.00000
71 -13.7314 1.00000
72 -13.3603 1.00000
73 -13.3234 1.00000
74 -13.2935 1.00000
75 -13.2547 1.00000
76 -13.2123 1.00000
77 -13.2121 1.00000
78 -13.2030 1.00000
79 -13.1713 1.00000
80 -13.1442 1.00000
81 -13.1368 1.00000
82 -13.1341 1.00000
83 -13.0779 1.00000
84 -13.0588 1.00000
85 -13.0190 1.00000
86 -13.0173 1.00000
87 -12.9611 1.00000
88 -12.9359 1.00000
89 -12.9277 1.00000
90 -12.9113 1.00000
91 -12.9004 1.00000
92 -12.8763 1.00000
93 -12.8645 1.00000
94 -12.8473 1.00000
95 -12.8282 1.00000
96 -12.7880 1.00000
97 -1.4693 1.00000
98 -1.4195 1.00000
99 -1.3980 1.00000
100 -1.3468 1.00000
101 -1.3327 1.00000
102 -1.2801 1.00000
103 -1.1899 1.00000
104 -1.1356 1.00000
105 -1.0350 1.00000
106 -1.0314 1.00000
107 -0.8763 1.00000
108 -0.8585 1.00000
109 -0.8527 1.00000
110 -0.8063 1.00000
111 -0.7949 1.00000
112 -0.7789 1.00000
113 -0.7218 1.00000
114 -0.7160 1.00000
115 -0.6527 1.00000
116 -0.6449 1.00000
117 -0.6356 1.00000
118 -0.5903 1.00000
119 -0.5808 1.00000
120 -0.5707 1.00000
121 -0.5538 1.00000
122 -0.5374 1.00000
123 -0.4947 1.00000
124 -0.3995 1.00000
125 -0.3927 1.00000
126 -0.3814 1.00000
127 -0.3725 1.00000
128 -0.2840 1.00000
129 -0.2312 1.00000
130 -0.2132 1.00000
131 -0.1464 1.00000
132 -0.1438 1.00000
133 0.0627 1.00000
134 0.0844 1.00000
135 0.0931 1.00000
136 0.1353 1.00000
137 0.3057 1.00000
138 0.3349 1.00000
139 0.3856 1.00000
140 0.4702 1.00000
141 0.5852 1.00000
142 0.6541 1.00000
143 0.7333 1.00000
144 0.7523 1.00000
145 0.8552 1.00000
146 0.8944 1.00000
147 0.9388 1.00000
148 0.9492 1.00000
149 0.9508 1.00000
150 1.0213 1.00000
151 1.0337 1.00000
152 1.0501 1.00000
153 1.0906 1.00000
154 1.0942 1.00000
155 1.1405 1.00000
156 1.1730 1.00000
157 1.2793 1.00000
158 1.3512 1.00000
159 1.4303 1.00000
160 1.6045 1.00000
161 1.6243 1.00000
162 1.7269 1.00000
163 1.7552 1.00000
164 1.8307 1.00000
165 1.8693 1.00000
166 1.8817 1.00000
167 1.8878 1.00000
168 1.9472 1.00000
169 2.0287 1.00000
170 2.1138 1.00000
171 2.1362 1.00000
172 2.1801 1.00000
173 2.2250 1.00000
174 2.2321 1.00000
175 2.2571 1.00000
176 2.2766 1.00000
177 2.3173 1.00000
178 2.3426 1.00000
179 2.3628 1.00000
180 2.3833 1.00000
181 2.4147 1.00000
182 2.4148 1.00000
183 2.4702 1.00000
184 2.5015 1.00000
185 2.5438 1.00000
186 2.7647 1.00000
187 2.7821 1.00000
188 2.8018 1.00000
189 2.8773 1.00000
190 2.9679 1.00000
191 3.0896 1.00000
192 3.1240 1.00000
193 5.5879 0.00000
194 5.6724 0.00000
195 5.8586 0.00000
196 5.9574 0.00000
197 6.1762 0.00000
198 6.2059 0.00000
199 6.2160 0.00000
200 6.2495 0.00000
201 6.2618 0.00000
202 6.2665 0.00000
203 6.2822 0.00000
204 6.3449 0.00000
205 6.3593 0.00000
206 6.4251 0.00000
207 6.4407 0.00000
208 6.4497 0.00000
209 6.5727 0.00000
210 6.5767 0.00000
211 6.6063 0.00000
212 6.6126 0.00000
213 6.6139 0.00000
214 6.6141 0.00000
215 6.6146 0.00000
216 6.6267 0.00000
217 6.6724 0.00000
218 6.6747 0.00000
219 6.7308 0.00000
220 6.7493 0.00000
221 6.7715 0.00000
222 6.7939 0.00000
223 6.8008 0.00000
224 6.8052 0.00000
225 6.8401 0.00000
226 6.9608 0.00000
227 7.0562 0.00000
228 7.1011 0.00000
229 7.1134 0.00000
230 7.2140 0.00000
231 7.2567 0.00000
232 7.3009 0.00000
233 7.3673 0.00000
234 7.4390 0.00000
235 7.4453 0.00000
236 7.4497 0.00000
237 7.6875 0.00000
238 7.7103 0.00000
239 7.7704 0.00000
240 7.8071 0.00000
241 8.0778 0.00000
242 8.2244 0.00000
243 8.3000 0.00000
244 8.3548 0.00000
245 8.4145 0.00000
246 8.4611 0.00000
247 8.5902 0.00000
248 8.5974 0.00000
249 8.7106 0.00000
250 8.8535 0.00000
251 9.0040 0.00000
252 9.0122 0.00000
253 9.1595 0.00000
254 9.2150 0.00000
255 9.2652 0.00000
256 9.4105 0.00000
k-point 3 : 0.4167 0.0833 0.0833
band No. band energies occupation
1 -53.3408 1.00000
2 -53.3379 1.00000
3 -53.3279 1.00000
4 -53.3250 1.00000
5 -53.3247 1.00000
6 -53.3231 1.00000
7 -53.3220 1.00000
8 -53.3218 1.00000
9 -53.3143 1.00000
10 -53.3121 1.00000
11 -53.3094 1.00000
12 -53.3076 1.00000
13 -53.3062 1.00000
14 -53.3044 1.00000
15 -53.2973 1.00000
16 -53.2955 1.00000
17 -29.7655 1.00000
18 -29.7637 1.00000
19 -29.7511 1.00000
20 -29.7491 1.00000
21 -29.7384 1.00000
22 -29.7368 1.00000
23 -29.6930 1.00000
24 -29.6930 1.00000
25 -29.6857 1.00000
26 -29.6749 1.00000
27 -29.6695 1.00000
28 -29.6635 1.00000
29 -29.6355 1.00000
30 -29.6198 1.00000
31 -29.6197 1.00000
32 -29.5943 1.00000
33 -29.5937 1.00000
34 -29.5921 1.00000
35 -29.5832 1.00000
36 -29.5831 1.00000
37 -29.5746 1.00000
38 -29.5714 1.00000
39 -29.5697 1.00000
40 -29.5679 1.00000
41 -29.5601 1.00000
42 -29.5573 1.00000
43 -29.5569 1.00000
44 -29.5559 1.00000
45 -29.5445 1.00000
46 -29.5417 1.00000
47 -29.5248 1.00000
48 -29.5120 1.00000
49 -29.4882 1.00000
50 -29.4857 1.00000
51 -29.4787 1.00000
52 -29.4745 1.00000
53 -29.4741 1.00000
54 -29.4731 1.00000
55 -29.4720 1.00000
56 -29.4688 1.00000
57 -29.4682 1.00000
58 -29.4625 1.00000
59 -29.4422 1.00000
60 -29.4410 1.00000
61 -29.4329 1.00000
62 -29.4313 1.00000
63 -29.4202 1.00000
64 -29.4182 1.00000
65 -14.2195 1.00000
66 -14.0972 1.00000
67 -13.8463 1.00000
68 -13.8285 1.00000
69 -13.6792 1.00000
70 -13.6236 1.00000
71 -13.5993 1.00000
72 -13.4987 1.00000
73 -13.4375 1.00000
74 -13.4104 1.00000
75 -13.3045 1.00000
76 -13.2509 1.00000
77 -13.2388 1.00000
78 -13.1894 1.00000
79 -13.1805 1.00000
80 -13.1570 1.00000
81 -13.0829 1.00000
82 -13.0781 1.00000
83 -13.0685 1.00000
84 -13.0681 1.00000
85 -13.0299 1.00000
86 -12.9868 1.00000
87 -12.9767 1.00000
88 -12.9419 1.00000
89 -12.9133 1.00000
90 -12.9051 1.00000
91 -12.8966 1.00000
92 -12.8964 1.00000
93 -12.8751 1.00000
94 -12.8747 1.00000
95 -12.8724 1.00000
96 -12.8303 1.00000
97 -1.4035 1.00000
98 -1.3791 1.00000
99 -1.3429 1.00000
100 -1.3191 1.00000
101 -1.3146 1.00000
102 -1.2982 1.00000
103 -1.2472 1.00000
104 -1.1802 1.00000
105 -1.1238 1.00000
106 -1.1231 1.00000
107 -1.1125 1.00000
108 -1.0401 1.00000
109 -1.0329 1.00000
110 -1.0131 1.00000
111 -0.7744 1.00000
112 -0.7600 1.00000
113 -0.7518 1.00000
114 -0.7326 1.00000
115 -0.6187 1.00000
116 -0.6066 1.00000
117 -0.6007 1.00000
118 -0.5958 1.00000
119 -0.5883 1.00000
120 -0.5686 1.00000
121 -0.5666 1.00000
122 -0.5483 1.00000
123 -0.4345 1.00000
124 -0.3965 1.00000
125 -0.2822 1.00000
126 -0.2146 1.00000
127 -0.2137 1.00000
128 -0.1213 1.00000
129 -0.1193 1.00000
130 -0.0084 1.00000
131 0.1080 1.00000
132 0.1211 1.00000
133 0.1694 1.00000
134 0.1874 1.00000
135 0.2240 1.00000
136 0.3721 1.00000
137 0.3783 1.00000
138 0.4534 1.00000
139 0.5301 1.00000
140 0.5482 1.00000
141 0.5589 1.00000
142 0.6205 1.00000
143 0.6251 1.00000
144 0.6773 1.00000
145 0.7368 1.00000
146 0.7507 1.00000
147 0.8202 1.00000
148 0.9011 1.00000
149 0.9084 1.00000
150 0.9585 1.00000
151 1.0219 1.00000
152 1.0395 1.00000
153 1.0403 1.00000
154 1.0493 1.00000
155 1.1006 1.00000
156 1.1406 1.00000
157 1.2221 1.00000
158 1.2694 1.00000
159 1.2902 1.00000
160 1.2977 1.00000
161 1.6141 1.00000
162 1.6271 1.00000
163 1.6816 1.00000
164 1.7330 1.00000
165 1.7549 1.00000
166 1.8925 1.00000
167 1.9146 1.00000
168 1.9518 1.00000
169 2.0015 1.00000
170 2.0746 1.00000
171 2.1642 1.00000
172 2.2456 1.00000
173 2.2552 1.00000
174 2.2724 1.00000
175 2.3055 1.00000
176 2.3696 1.00000
177 2.3701 1.00000
178 2.4389 1.00000
179 2.4478 1.00000
180 2.4620 1.00000
181 2.5393 1.00000
182 2.5622 1.00000
183 2.5885 1.00000
184 2.5904 1.00000
185 2.6304 1.00000
186 2.6900 1.00000
187 2.7417 1.00000
188 2.7796 1.00000
189 2.8012 1.00000
190 2.8101 1.00000
191 2.9928 1.00000
192 3.0189 1.00000
193 5.8193 0.00000
194 5.9873 0.00000
195 5.9955 0.00000
196 6.0635 0.00000
197 6.1336 0.00000
198 6.1410 0.00000
199 6.1425 0.00000
200 6.1838 0.00000
201 6.1938 0.00000
202 6.2232 0.00000
203 6.2272 0.00000
204 6.2616 0.00000
205 6.2868 0.00000
206 6.3225 0.00000
207 6.3403 0.00000
208 6.3621 0.00000
209 6.3789 0.00000
210 6.4101 0.00000
211 6.4883 0.00000
212 6.5304 0.00000
213 6.5311 0.00000
214 6.5821 0.00000
215 6.5902 0.00000
216 6.6098 0.00000
217 6.6110 0.00000
218 6.6110 0.00000
219 6.6387 0.00000
220 6.6636 0.00000
221 6.7366 0.00000
222 6.7742 0.00000
223 6.7833 0.00000
224 6.8034 0.00000
225 6.8170 0.00000
226 6.8213 0.00000
227 6.9235 0.00000
228 6.9326 0.00000
229 7.2115 0.00000
230 7.2925 0.00000
231 7.3311 0.00000
232 7.3371 0.00000
233 7.3407 0.00000
234 7.4074 0.00000
235 7.4691 0.00000
236 7.4828 0.00000
237 7.5086 0.00000
238 7.5257 0.00000
239 7.6245 0.00000
240 7.6688 0.00000
241 8.1502 0.00000
242 8.2245 0.00000
243 8.2595 0.00000
244 8.3040 0.00000
245 8.7034 0.00000
246 8.7267 0.00000
247 8.7972 0.00000
248 8.8241 0.00000
249 8.8621 0.00000
250 8.8900 0.00000
251 8.9514 0.00000
252 8.9690 0.00000
253 9.0073 0.00000
254 9.0820 0.00000
255 9.2525 0.00000
256 9.4724 0.00000
k-point 4 : 0.2500 0.2500 0.0833
band No. band energies occupation
1 -53.3417 1.00000
2 -53.3334 1.00000
3 -53.3334 1.00000
4 -53.3251 1.00000
5 -53.3241 1.00000
6 -53.3241 1.00000
7 -53.3214 1.00000
8 -53.3167 1.00000
9 -53.3153 1.00000
10 -53.3142 1.00000
11 -53.3097 1.00000
12 -53.3097 1.00000
13 -53.3057 1.00000
14 -53.3003 1.00000
15 -53.3003 1.00000
16 -53.2948 1.00000
17 -29.7660 1.00000
18 -29.7596 1.00000
19 -29.7596 1.00000
20 -29.7524 1.00000
21 -29.7196 1.00000
22 -29.7194 1.00000
23 -29.7194 1.00000
24 -29.7134 1.00000
25 -29.6892 1.00000
26 -29.6571 1.00000
27 -29.6571 1.00000
28 -29.6454 1.00000
29 -29.6454 1.00000
30 -29.6447 1.00000
31 -29.6209 1.00000
32 -29.5981 1.00000
33 -29.5920 1.00000
34 -29.5847 1.00000
35 -29.5785 1.00000
36 -29.5760 1.00000
37 -29.5723 1.00000
38 -29.5723 1.00000
39 -29.5684 1.00000
40 -29.5684 1.00000
41 -29.5675 1.00000
42 -29.5621 1.00000
43 -29.5504 1.00000
44 -29.5481 1.00000
45 -29.5481 1.00000
46 -29.5399 1.00000
47 -29.5399 1.00000
48 -29.5050 1.00000
49 -29.4914 1.00000
50 -29.4838 1.00000
51 -29.4838 1.00000
52 -29.4746 1.00000
53 -29.4737 1.00000
54 -29.4737 1.00000
55 -29.4709 1.00000
56 -29.4701 1.00000
57 -29.4574 1.00000
58 -29.4537 1.00000
59 -29.4522 1.00000
60 -29.4522 1.00000
61 -29.4299 1.00000
62 -29.4241 1.00000
63 -29.4241 1.00000
64 -29.4176 1.00000
65 -14.2619 1.00000
66 -13.9094 1.00000
67 -13.9094 1.00000
68 -13.8245 1.00000
69 -13.7476 1.00000
70 -13.7476 1.00000
71 -13.6945 1.00000
72 -13.4411 1.00000
73 -13.3224 1.00000
74 -13.2687 1.00000
75 -13.2440 1.00000
76 -13.1956 1.00000
77 -13.1956 1.00000
78 -13.1890 1.00000
79 -13.1718 1.00000
80 -13.1675 1.00000
81 -13.1675 1.00000
82 -13.1313 1.00000
83 -13.1313 1.00000
84 -13.1209 1.00000
85 -13.0468 1.00000
86 -13.0468 1.00000
87 -13.0105 1.00000
88 -12.9306 1.00000
89 -12.9212 1.00000
90 -12.9212 1.00000
91 -12.9207 1.00000
92 -12.8762 1.00000
93 -12.8582 1.00000
94 -12.8540 1.00000
95 -12.8540 1.00000
96 -12.7765 1.00000
97 -1.4785 1.00000
98 -1.4610 1.00000
99 -1.4610 1.00000
100 -1.4174 1.00000
101 -1.4003 1.00000
102 -1.3571 1.00000
103 -1.3571 1.00000
104 -1.2229 1.00000
105 -0.9410 1.00000
106 -0.9115 1.00000
107 -0.8805 1.00000
108 -0.8458 1.00000
109 -0.8143 1.00000
110 -0.8143 1.00000
111 -0.8052 1.00000
112 -0.8052 1.00000
113 -0.7907 1.00000
114 -0.7907 1.00000
115 -0.7840 1.00000
116 -0.7267 1.00000
117 -0.5242 1.00000
118 -0.4796 1.00000
119 -0.4796 1.00000
120 -0.4567 1.00000
121 -0.3687 1.00000
122 -0.3687 1.00000
123 -0.3480 1.00000
124 -0.3349 1.00000
125 -0.3115 1.00000
126 -0.2128 1.00000
127 -0.2033 1.00000
128 -0.2033 1.00000
129 -0.1491 1.00000
130 -0.1477 1.00000
131 -0.0901 1.00000
132 -0.0871 1.00000
133 0.0795 1.00000
134 0.0795 1.00000
135 0.1139 1.00000
136 0.1139 1.00000
137 0.2424 1.00000
138 0.3182 1.00000
139 0.3182 1.00000
140 0.3902 1.00000
141 0.4369 1.00000
142 0.4606 1.00000
143 0.7031 1.00000
144 0.7031 1.00000
145 0.8075 1.00000
146 0.8075 1.00000
147 0.8472 1.00000
148 0.8598 1.00000
149 0.9496 1.00000
150 1.0059 1.00000
151 1.0059 1.00000
152 1.0390 1.00000
153 1.1142 1.00000
154 1.1142 1.00000
155 1.2401 1.00000
156 1.3398 1.00000
157 1.3674 1.00000
158 1.3674 1.00000
159 1.4000 1.00000
160 1.5830 1.00000
161 1.6059 1.00000
162 1.6360 1.00000
163 1.8348 1.00000
164 1.8348 1.00000
165 1.9382 1.00000
166 1.9382 1.00000
167 1.9805 1.00000
168 1.9887 1.00000
169 2.0160 1.00000
170 2.0436 1.00000
171 2.0436 1.00000
172 2.1109 1.00000
173 2.1109 1.00000
174 2.1151 1.00000
175 2.1179 1.00000
176 2.2187 1.00000
177 2.3830 1.00000
178 2.3830 1.00000
179 2.4348 1.00000
180 2.4794 1.00000
181 2.4794 1.00000
182 2.5491 1.00000
183 2.5491 1.00000
184 2.6174 1.00000
185 2.6338 1.00000
186 2.6338 1.00000
187 2.6742 1.00000
188 2.7365 1.00000
189 2.8667 1.00000
190 2.9691 1.00000
191 3.0361 1.00000
192 3.1076 1.00000
193 5.8115 0.00000
194 5.8711 0.00000
195 5.8997 0.00000
196 5.9727 0.00000
197 6.1372 0.00000
198 6.1420 0.00000
199 6.1420 0.00000
200 6.1683 0.00000
201 6.1682 0.00000
202 6.2637 0.00000
203 6.2908 0.00000
204 6.2908 0.00000
205 6.3037 0.00000
206 6.3353 0.00000
207 6.3353 0.00000
208 6.4736 0.00000
209 6.4807 0.00000
210 6.4834 0.00000
211 6.5728 0.00000
212 6.5728 0.00000
213 6.5857 0.00000
214 6.5902 0.00000
215 6.5901 0.00000
216 6.6113 0.00000
217 6.6537 0.00000
218 6.6701 0.00000
219 6.6700 0.00000
220 6.7018 0.00000
221 6.7364 0.00000
222 6.7362 0.00000
223 6.7739 0.00000
224 6.8232 0.00000
225 6.8272 0.00000
226 6.8820 0.00000
227 6.8860 0.00000
228 6.9994 0.00000
229 6.9990 0.00000
230 7.0078 0.00000
231 7.1526 0.00000
232 7.1526 0.00000
233 7.2693 0.00000
234 7.2692 0.00000
235 7.3995 0.00000
236 7.3995 0.00000
237 7.5470 0.00000
238 7.6217 0.00000
239 7.6226 0.00000
240 7.7362 0.00000
241 8.3516 0.00000
242 8.3708 0.00000
243 8.5111 0.00000
244 8.5422 0.00000
245 8.5426 0.00000
246 8.5672 0.00000
247 8.5674 0.00000
248 8.7884 0.00000
249 8.9145 0.00000
250 9.0256 0.00000
251 9.0812 0.00000
252 9.0826 0.00000
253 9.1627 0.00000
254 9.2197 0.00000
255 9.2832 0.00000
256 9.4847 0.00000
k-point 5 : 0.4167 0.2500 0.0833
band No. band energies occupation
1 -53.3396 1.00000
2 -53.3368 1.00000
3 -53.3313 1.00000
4 -53.3285 1.00000
5 -53.3221 1.00000
6 -53.3220 1.00000
7 -53.3212 1.00000
8 -53.3192 1.00000
9 -53.3146 1.00000
10 -53.3126 1.00000
11 -53.3126 1.00000
12 -53.3109 1.00000
13 -53.3033 1.00000
14 -53.3015 1.00000
15 -53.2979 1.00000
16 -53.2961 1.00000
17 -29.7647 1.00000
18 -29.7629 1.00000
19 -29.7581 1.00000
20 -29.7559 1.00000
21 -29.7189 1.00000
22 -29.7185 1.00000
23 -29.6942 1.00000
24 -29.6932 1.00000
25 -29.6730 1.00000
26 -29.6714 1.00000
27 -29.6653 1.00000
28 -29.6555 1.00000
29 -29.6468 1.00000
30 -29.6352 1.00000
31 -29.6241 1.00000
32 -29.5993 1.00000
33 -29.5926 1.00000
34 -29.5873 1.00000
35 -29.5820 1.00000
36 -29.5808 1.00000
37 -29.5741 1.00000
38 -29.5714 1.00000
39 -29.5689 1.00000
40 -29.5668 1.00000
41 -29.5653 1.00000
42 -29.5638 1.00000
43 -29.5602 1.00000
44 -29.5504 1.00000
45 -29.5485 1.00000
46 -29.5478 1.00000
47 -29.5295 1.00000
48 -29.5165 1.00000
49 -29.4901 1.00000
50 -29.4873 1.00000
51 -29.4835 1.00000
52 -29.4802 1.00000
53 -29.4717 1.00000
54 -29.4708 1.00000
55 -29.4703 1.00000
56 -29.4671 1.00000
57 -29.4642 1.00000
58 -29.4610 1.00000
59 -29.4517 1.00000
60 -29.4509 1.00000
61 -29.4251 1.00000
62 -29.4233 1.00000
63 -29.4187 1.00000
64 -29.4166 1.00000
65 -14.1518 1.00000
66 -14.0242 1.00000
67 -13.7704 1.00000
68 -13.7676 1.00000
69 -13.7459 1.00000
70 -13.6010 1.00000
71 -13.5974 1.00000
72 -13.5818 1.00000
73 -13.4096 1.00000
74 -13.3971 1.00000
75 -13.2636 1.00000
76 -13.2179 1.00000
77 -13.2075 1.00000
78 -13.1943 1.00000
79 -13.1915 1.00000
80 -13.1476 1.00000
81 -13.1409 1.00000
82 -13.1371 1.00000
83 -13.0990 1.00000
84 -13.0625 1.00000
85 -13.0419 1.00000
86 -13.0401 1.00000
87 -13.0220 1.00000
88 -12.9826 1.00000
89 -12.9813 1.00000
90 -12.9429 1.00000
91 -12.9087 1.00000
92 -12.8922 1.00000
93 -12.8897 1.00000
94 -12.8613 1.00000
95 -12.8318 1.00000
96 -12.7998 1.00000
97 -1.4577 1.00000
98 -1.4464 1.00000
99 -1.4291 1.00000
100 -1.3951 1.00000
101 -1.3904 1.00000
102 -1.3435 1.00000
103 -1.3257 1.00000
104 -1.1909 1.00000
105 -1.1711 1.00000
106 -1.1396 1.00000
107 -1.1189 1.00000
108 -1.0469 1.00000
109 -0.8979 1.00000
110 -0.8514 1.00000
111 -0.8413 1.00000
112 -0.8196 1.00000
113 -0.8111 1.00000
114 -0.8029 1.00000
115 -0.7698 1.00000
116 -0.7460 1.00000
117 -0.4634 1.00000
118 -0.4614 1.00000
119 -0.4003 1.00000
120 -0.3513 1.00000
121 -0.3136 1.00000
122 -0.2576 1.00000
123 -0.2572 1.00000
124 -0.2413 1.00000
125 -0.1992 1.00000
126 -0.1809 1.00000
127 -0.1663 1.00000
128 -0.1221 1.00000
129 -0.0850 1.00000
130 0.0636 1.00000
131 0.1190 1.00000
132 0.1458 1.00000
133 0.1562 1.00000
134 0.1735 1.00000
135 0.2503 1.00000
136 0.3539 1.00000
137 0.3778 1.00000
138 0.4204 1.00000
139 0.4282 1.00000
140 0.5035 1.00000
141 0.5038 1.00000
142 0.5372 1.00000
143 0.5441 1.00000
144 0.6228 1.00000
145 0.6411 1.00000
146 0.6518 1.00000
147 0.6825 1.00000
148 0.7464 1.00000
149 0.8321 1.00000
150 0.8365 1.00000
151 1.0869 1.00000
152 1.1395 1.00000
153 1.1470 1.00000
154 1.1573 1.00000
155 1.1659 1.00000
156 1.2302 1.00000
157 1.2822 1.00000
158 1.3452 1.00000
159 1.3696 1.00000
160 1.4253 1.00000
161 1.4989 1.00000
162 1.5318 1.00000
163 1.6012 1.00000
164 1.6746 1.00000
165 1.7765 1.00000
166 1.7922 1.00000
167 1.8759 1.00000
168 2.0265 1.00000
169 2.0387 1.00000
170 2.0610 1.00000
171 2.1047 1.00000
172 2.1154 1.00000
173 2.1231 1.00000
174 2.2488 1.00000
175 2.2906 1.00000
176 2.2956 1.00000
177 2.4257 1.00000
178 2.4538 1.00000
179 2.4727 1.00000
180 2.4927 1.00000
181 2.5129 1.00000
182 2.5494 1.00000
183 2.5934 1.00000
184 2.6359 1.00000
185 2.6749 1.00000
186 2.7677 1.00000
187 2.7735 1.00000
188 2.8489 1.00000
189 2.8522 1.00000
190 2.8710 1.00000
191 2.9566 1.00000
192 3.0189 1.00000
193 5.9534 0.00000
194 6.0077 0.00000
195 6.0538 0.00000
196 6.0678 0.00000
197 6.0716 0.00000
198 6.0803 0.00000
199 6.1395 0.00000
200 6.1632 0.00000
201 6.1672 0.00000
202 6.2005 0.00000
203 6.2166 0.00000
204 6.2421 0.00000
205 6.2503 0.00000
206 6.2531 0.00000
207 6.2645 0.00000
208 6.2943 0.00000
209 6.3123 0.00000
210 6.5020 0.00000
211 6.5158 0.00000
212 6.5248 0.00000
213 6.5303 0.00000
214 6.5669 0.00000
215 6.5697 0.00000
216 6.5815 0.00000
217 6.6083 0.00000
218 6.6229 0.00000
219 6.6732 0.00000
220 6.6735 0.00000
221 6.6745 0.00000
222 6.6987 0.00000
223 6.7039 0.00000
224 6.7503 0.00000
225 6.7689 0.00000
226 6.7677 0.00000
227 6.7951 0.00000
228 6.8517 0.00000
229 7.0097 0.00000
230 7.1108 0.00000
231 7.1110 0.00000
232 7.1536 0.00000
233 7.2533 0.00000
234 7.2689 0.00000
235 7.2874 0.00000
236 7.3286 0.00000
237 7.4142 0.00000
238 7.4614 0.00000
239 7.4630 0.00000
240 7.5994 0.00000
241 8.4231 0.00000
242 8.4603 0.00000
243 8.4801 0.00000
244 8.5169 0.00000
245 8.7241 0.00000
246 8.7400 0.00000
247 8.8051 0.00000
248 8.8658 0.00000
249 8.9113 0.00000
250 8.9822 0.00000
251 9.1075 0.00000
252 9.1356 0.00000
253 9.1909 0.00000
254 9.2496 0.00000
255 9.3385 0.00000
256 9.5258 0.00000
k-point 6 : 0.4167 0.4167 0.0833
band No. band energies occupation
1 -53.3375 1.00000
2 -53.3346 1.00000
3 -53.3346 1.00000
4 -53.3318 1.00000
5 -53.3202 1.00000
6 -53.3202 1.00000
7 -53.3201 1.00000
8 -53.3184 1.00000
9 -53.3148 1.00000
10 -53.3143 1.00000
11 -53.3136 1.00000
12 -53.3136 1.00000
13 -53.3009 1.00000
14 -53.2991 1.00000
15 -53.2991 1.00000
16 -53.2973 1.00000
17 -29.7634 1.00000
18 -29.7615 1.00000
19 -29.7615 1.00000
20 -29.7594 1.00000
21 -29.6993 1.00000
22 -29.6943 1.00000
23 -29.6943 1.00000
24 -29.6883 1.00000
25 -29.6726 1.00000
26 -29.6670 1.00000
27 -29.6670 1.00000
28 -29.6560 1.00000
29 -29.6526 1.00000
30 -29.6350 1.00000
31 -29.6350 1.00000
32 -29.6135 1.00000
33 -29.5883 1.00000
34 -29.5809 1.00000
35 -29.5796 1.00000
36 -29.5796 1.00000
37 -29.5758 1.00000
38 -29.5758 1.00000
39 -29.5748 1.00000
40 -29.5707 1.00000
41 -29.5689 1.00000
42 -29.5585 1.00000
43 -29.5585 1.00000
44 -29.5545 1.00000
45 -29.5523 1.00000
46 -29.5395 1.00000
47 -29.5395 1.00000
48 -29.5267 1.00000
49 -29.4902 1.00000
50 -29.4876 1.00000
51 -29.4876 1.00000
52 -29.4850 1.00000
53 -29.4683 1.00000
54 -29.4681 1.00000
55 -29.4681 1.00000
56 -29.4653 1.00000
57 -29.4630 1.00000
58 -29.4596 1.00000
59 -29.4596 1.00000
60 -29.4587 1.00000
61 -29.4199 1.00000
62 -29.4179 1.00000
63 -29.4179 1.00000
64 -29.4159 1.00000
65 -14.0335 1.00000
66 -13.8952 1.00000
67 -13.8952 1.00000
68 -13.7417 1.00000
69 -13.6476 1.00000
70 -13.5972 1.00000
71 -13.5972 1.00000
72 -13.5337 1.00000
73 -13.4359 1.00000
74 -13.3814 1.00000
75 -13.3814 1.00000
76 -13.3473 1.00000
77 -13.2001 1.00000
78 -13.1745 1.00000
79 -13.1403 1.00000
80 -13.1403 1.00000
81 -13.1069 1.00000
82 -13.1069 1.00000
83 -13.0843 1.00000
84 -13.0795 1.00000
85 -13.0577 1.00000
86 -13.0577 1.00000
87 -13.0520 1.00000
88 -13.0407 1.00000
89 -12.9769 1.00000
90 -12.9701 1.00000
91 -12.9701 1.00000
92 -12.9447 1.00000
93 -12.8674 1.00000
94 -12.8392 1.00000
95 -12.8392 1.00000
96 -12.8117 1.00000
97 -1.4395 1.00000
98 -1.3808 1.00000
99 -1.3808 1.00000
100 -1.3780 1.00000
101 -1.3638 1.00000
102 -1.3638 1.00000
103 -1.3447 1.00000
104 -1.2223 1.00000
105 -1.1732 1.00000
106 -1.1667 1.00000
107 -1.1333 1.00000
108 -1.1329 1.00000
109 -1.1329 1.00000
110 -1.0417 1.00000
111 -1.0417 1.00000
112 -0.9936 1.00000
113 -0.8484 1.00000
114 -0.8043 1.00000
115 -0.8043 1.00000
116 -0.7715 1.00000
117 -0.3372 1.00000
118 -0.3372 1.00000
119 -0.2931 1.00000
120 -0.2635 1.00000
121 -0.2536 1.00000
122 -0.2245 1.00000
123 -0.1191 1.00000
124 -0.1169 1.00000
125 -0.1169 1.00000
126 -0.0700 1.00000
127 -0.0700 1.00000
128 0.0556 1.00000
129 0.1695 1.00000
130 0.2335 1.00000
131 0.2856 1.00000
132 0.2856 1.00000
133 0.3105 1.00000
134 0.3105 1.00000
135 0.3459 1.00000
136 0.3903 1.00000
137 0.4677 1.00000
138 0.4797 1.00000
139 0.4797 1.00000
140 0.5139 1.00000
141 0.5143 1.00000
142 0.5223 1.00000
143 0.5260 1.00000
144 0.5397 1.00000
145 0.5397 1.00000
146 0.6122 1.00000
147 0.6122 1.00000
148 0.6468 1.00000
149 0.8262 1.00000
150 0.8781 1.00000
151 0.8781 1.00000
152 0.9558 1.00000
153 1.1353 1.00000
154 1.1701 1.00000
155 1.1701 1.00000
156 1.1823 1.00000
157 1.1958 1.00000
158 1.3027 1.00000
159 1.3126 1.00000
160 1.3126 1.00000
161 1.3660 1.00000
162 1.3660 1.00000
163 1.4759 1.00000
164 1.4888 1.00000
165 1.7299 1.00000
166 1.8238 1.00000
167 1.8238 1.00000
168 1.8948 1.00000
169 2.0569 1.00000
170 2.0576 1.00000
171 2.0906 1.00000
172 2.0906 1.00000
173 2.1740 1.00000
174 2.1794 1.00000
175 2.1794 1.00000
176 2.3804 1.00000
177 2.4410 1.00000
178 2.5314 1.00000
179 2.5314 1.00000
180 2.5504 1.00000
181 2.5706 1.00000
182 2.6551 1.00000
183 2.6551 1.00000
184 2.6933 1.00000
185 2.7805 1.00000
186 2.7805 1.00000
187 2.7971 1.00000
188 2.8958 1.00000
189 2.8958 1.00000
190 2.9053 1.00000
191 2.9290 1.00000
192 2.9789 1.00000
193 5.9918 0.00000
194 6.0167 0.00000
195 6.0167 0.00000
196 6.0284 0.00000
197 6.0761 0.00000
198 6.1092 0.00000
199 6.1091 0.00000
200 6.1273 0.00000
201 6.1520 0.00000
202 6.1831 0.00000
203 6.1863 0.00000
204 6.1862 0.00000
205 6.1900 0.00000
206 6.1900 0.00000
207 6.2220 0.00000
208 6.2228 0.00000
209 6.4296 0.00000
210 6.5090 0.00000
211 6.5193 0.00000
212 6.5193 0.00000
213 6.5208 0.00000
214 6.5374 0.00000
215 6.5490 0.00000
216 6.5490 0.00000
217 6.5540 0.00000
218 6.5807 0.00000
219 6.5806 0.00000
220 6.5859 0.00000
221 6.6479 0.00000
222 6.7169 0.00000
223 6.7168 0.00000
224 6.7196 0.00000
225 6.7509 0.00000
226 6.8377 0.00000
227 6.8376 0.00000
228 6.8613 0.00000
229 6.8841 0.00000
230 7.0321 0.00000
231 7.0320 0.00000
232 7.0843 0.00000
233 7.0847 0.00000
234 7.0847 0.00000
235 7.1636 0.00000
236 7.2346 0.00000
237 7.2444 0.00000
238 7.3179 0.00000
239 7.3179 0.00000
240 7.4594 0.00000
241 8.5491 0.00000
242 8.6382 0.00000
243 8.6384 0.00000
244 8.6637 0.00000
245 8.7516 0.00000
246 8.7517 0.00000
247 8.7561 0.00000
248 8.8365 0.00000
249 8.8963 0.00000
250 8.9742 0.00000
251 8.9744 0.00000
252 9.0600 0.00000
253 9.5218 0.00000
254 9.6384 0.00000
255 9.6813 0.00000
256 9.7483 0.00000
k-point 7 : 0.0833 0.0833 0.2500
band No. band energies occupation
1 -53.3423 1.00000
2 -53.3308 1.00000
3 -53.3308 1.00000
4 -53.3286 1.00000
5 -53.3284 1.00000
6 -53.3284 1.00000
7 -53.3180 1.00000
8 -53.3162 1.00000
9 -53.3136 1.00000
10 -53.3118 1.00000
11 -53.3092 1.00000
12 -53.3053 1.00000
13 -53.3053 1.00000
14 -53.3030 1.00000
15 -53.3030 1.00000
16 -53.2954 1.00000
17 -29.7562 1.00000
18 -29.7493 1.00000
19 -29.7493 1.00000
20 -29.7390 1.00000
21 -29.7390 1.00000
22 -29.7386 1.00000
23 -29.7320 1.00000
24 -29.7258 1.00000
25 -29.7199 1.00000
26 -29.6653 1.00000
27 -29.6632 1.00000
28 -29.6632 1.00000
29 -29.6604 1.00000
30 -29.6604 1.00000
31 -29.6007 1.00000
32 -29.6000 1.00000
33 -29.5934 1.00000
34 -29.5924 1.00000
35 -29.5766 1.00000
36 -29.5712 1.00000
37 -29.5627 1.00000
38 -29.5627 1.00000
39 -29.5609 1.00000
40 -29.5609 1.00000
41 -29.5600 1.00000
42 -29.5578 1.00000
43 -29.5344 1.00000
44 -29.5344 1.00000
45 -29.5340 1.00000
46 -29.5340 1.00000
47 -29.5281 1.00000
48 -29.4893 1.00000
49 -29.4876 1.00000
50 -29.4793 1.00000
51 -29.4793 1.00000
52 -29.4773 1.00000
53 -29.4773 1.00000
54 -29.4733 1.00000
55 -29.4730 1.00000
56 -29.4594 1.00000
57 -29.4547 1.00000
58 -29.4504 1.00000
59 -29.4453 1.00000
60 -29.4453 1.00000
61 -29.4452 1.00000
62 -29.4377 1.00000
63 -29.4377 1.00000
64 -29.4332 1.00000
65 -14.3501 1.00000
66 -14.0587 1.00000
67 -13.8981 1.00000
68 -13.8981 1.00000
69 -13.8608 1.00000
70 -13.8608 1.00000
71 -13.6560 1.00000
72 -13.4058 1.00000
73 -13.3340 1.00000
74 -13.2681 1.00000
75 -13.1889 1.00000
76 -13.1889 1.00000
77 -13.1854 1.00000
78 -13.1817 1.00000
79 -13.1817 1.00000
80 -13.1424 1.00000
81 -13.1092 1.00000
82 -13.0884 1.00000
83 -13.0471 1.00000
84 -13.0274 1.00000
85 -13.0274 1.00000
86 -12.9860 1.00000
87 -12.9860 1.00000
88 -12.9713 1.00000
89 -12.9119 1.00000
90 -12.9119 1.00000
91 -12.9040 1.00000
92 -12.9040 1.00000
93 -12.8321 1.00000
94 -12.8175 1.00000
95 -12.8014 1.00000
96 -12.7841 1.00000
97 -1.3283 1.00000
98 -1.3283 1.00000
99 -1.2862 1.00000
100 -1.2494 1.00000
101 -1.2352 1.00000
102 -1.2224 1.00000
103 -1.2224 1.00000
104 -1.1464 1.00000
105 -0.9775 1.00000
106 -0.9770 1.00000
107 -0.9770 1.00000
108 -0.9107 1.00000
109 -0.8223 1.00000
110 -0.8188 1.00000
111 -0.8188 1.00000
112 -0.7856 1.00000
113 -0.6651 1.00000
114 -0.6526 1.00000
115 -0.6292 1.00000
116 -0.6284 1.00000
117 -0.5954 1.00000
118 -0.5462 1.00000
119 -0.5462 1.00000
120 -0.5396 1.00000
121 -0.5396 1.00000
122 -0.5349 1.00000
123 -0.5349 1.00000
124 -0.5340 1.00000
125 -0.5048 1.00000
126 -0.5007 1.00000
127 -0.5007 1.00000
128 -0.4858 1.00000
129 -0.4672 1.00000
130 -0.4603 1.00000
131 -0.4289 1.00000
132 -0.2972 1.00000
133 -0.0329 1.00000
134 -0.0329 1.00000
135 -0.0255 1.00000
136 -0.0255 1.00000
137 0.2668 1.00000
138 0.3120 1.00000
139 0.4477 1.00000
140 0.4853 1.00000
141 0.6838 1.00000
142 0.6838 1.00000
143 0.9131 1.00000
144 0.9131 1.00000
145 0.9964 1.00000
146 0.9964 1.00000
147 1.0436 1.00000
148 1.0436 1.00000
149 1.1116 1.00000
150 1.1137 1.00000
151 1.1614 1.00000
152 1.1685 1.00000
153 1.1928 1.00000
154 1.1928 1.00000
155 1.2241 1.00000
156 1.2566 1.00000
157 1.2566 1.00000
158 1.2947 1.00000
159 1.3322 1.00000
160 1.5137 1.00000
161 1.5939 1.00000
162 1.6218 1.00000
163 1.6218 1.00000
164 1.7291 1.00000
165 1.7291 1.00000
166 1.7750 1.00000
167 1.8789 1.00000
168 1.8993 1.00000
169 1.9902 1.00000
170 2.1835 1.00000
171 2.1933 1.00000
172 2.2247 1.00000
173 2.2247 1.00000
174 2.2333 1.00000
175 2.2333 1.00000
176 2.2706 1.00000
177 2.2706 1.00000
178 2.2812 1.00000
179 2.2812 1.00000
180 2.3232 1.00000
181 2.4231 1.00000
182 2.4231 1.00000
183 2.4264 1.00000
184 2.4264 1.00000
185 2.7130 1.00000
186 2.7945 1.00000
187 2.9353 1.00000
188 2.9399 1.00000
189 2.9588 1.00000
190 2.9769 1.00000
191 3.0379 1.00000
192 3.0587 1.00000
193 5.3248 0.00000
194 5.4798 0.00000
195 5.7134 0.00000
196 5.8837 0.00000
197 6.2948 0.00000
198 6.2948 0.00000
199 6.3044 0.00000
200 6.3044 0.00000
201 6.3480 0.00000
202 6.3875 0.00000
203 6.4235 0.00000
204 6.4689 0.00000
205 6.4782 0.00000
206 6.4782 0.00000
207 6.4919 0.00000
208 6.4919 0.00000
209 6.6065 0.00000
210 6.6065 0.00000
211 6.6134 0.00000
212 6.6134 0.00000
213 6.6693 0.00000
214 6.6691 0.00000
215 6.6737 0.00000
216 6.6907 0.00000
217 6.6907 0.00000
218 6.7014 0.00000
219 6.7573 0.00000
220 6.7688 0.00000
221 6.7749 0.00000
222 6.7779 0.00000
223 6.8781 0.00000
224 6.8992 0.00000
225 7.0928 0.00000
226 7.0938 0.00000
227 7.1971 0.00000
228 7.1985 0.00000
229 7.2612 0.00000
230 7.2611 0.00000
231 7.3053 0.00000
232 7.3053 0.00000
233 7.4425 0.00000
234 7.4423 0.00000
235 7.4614 0.00000
236 7.4613 0.00000
237 7.8283 0.00000
238 7.8474 0.00000
239 7.8496 0.00000
240 7.8726 0.00000
241 7.9077 0.00000
242 8.0220 0.00000
243 8.1560 0.00000
244 8.3191 0.00000
245 8.3558 0.00000
246 8.3582 0.00000
247 8.3584 0.00000
248 8.3767 0.00000
249 8.3769 0.00000
250 8.6079 0.00000
251 9.0728 0.00000
252 9.0975 0.00000
253 9.1230 0.00000
254 9.2521 0.00000
255 9.2879 0.00000
256 9.3893 0.00000
k-point 8 : 0.2500 0.0833 0.2500
band No. band energies occupation
1 -53.3412 1.00000
2 -53.3336 1.00000
3 -53.3296 1.00000
4 -53.3280 1.00000
5 -53.3273 1.00000
6 -53.3270 1.00000
7 -53.3213 1.00000
8 -53.3191 1.00000
9 -53.3113 1.00000
10 -53.3092 1.00000
11 -53.3090 1.00000
12 -53.3073 1.00000
13 -53.3059 1.00000
14 -53.3036 1.00000
15 -53.3006 1.00000
16 -53.2959 1.00000
17 -29.7560 1.00000
18 -29.7541 1.00000
19 -29.7487 1.00000
20 -29.7438 1.00000
21 -29.7385 1.00000
22 -29.7350 1.00000
23 -29.7227 1.00000
24 -29.7122 1.00000
25 -29.7056 1.00000
26 -29.6715 1.00000
27 -29.6679 1.00000
28 -29.6645 1.00000
29 -29.6556 1.00000
30 -29.6469 1.00000
31 -29.6006 1.00000
32 -29.5998 1.00000
33 -29.5944 1.00000
34 -29.5842 1.00000
35 -29.5828 1.00000
36 -29.5747 1.00000
37 -29.5724 1.00000
38 -29.5710 1.00000
39 -29.5707 1.00000
40 -29.5649 1.00000
41 -29.5596 1.00000
42 -29.5583 1.00000
43 -29.5416 1.00000
44 -29.5408 1.00000
45 -29.5321 1.00000
46 -29.5296 1.00000
47 -29.5241 1.00000
48 -29.4966 1.00000
49 -29.4871 1.00000
50 -29.4815 1.00000
51 -29.4792 1.00000
52 -29.4764 1.00000
53 -29.4757 1.00000
54 -29.4735 1.00000
55 -29.4716 1.00000
56 -29.4665 1.00000
57 -29.4614 1.00000
58 -29.4534 1.00000
59 -29.4458 1.00000
60 -29.4433 1.00000
61 -29.4391 1.00000
62 -29.4357 1.00000
63 -29.4314 1.00000
64 -29.4301 1.00000
65 -14.2899 1.00000
66 -14.0084 1.00000
67 -13.9687 1.00000
68 -13.8548 1.00000
69 -13.8174 1.00000
70 -13.7791 1.00000
71 -13.6102 1.00000
72 -13.3677 1.00000
73 -13.3151 1.00000
74 -13.3088 1.00000
75 -13.2651 1.00000
76 -13.2450 1.00000
77 -13.2091 1.00000
78 -13.1967 1.00000
79 -13.1708 1.00000
80 -13.1439 1.00000
81 -13.1367 1.00000
82 -13.0859 1.00000
83 -13.0769 1.00000
84 -13.0702 1.00000
85 -13.0264 1.00000
86 -13.0153 1.00000
87 -12.9747 1.00000
88 -12.9539 1.00000
89 -12.9163 1.00000
90 -12.9047 1.00000
91 -12.8952 1.00000
92 -12.8713 1.00000
93 -12.8703 1.00000
94 -12.8510 1.00000
95 -12.8213 1.00000
96 -12.7926 1.00000
97 -1.4580 1.00000
98 -1.4036 1.00000
99 -1.3870 1.00000
100 -1.3710 1.00000
101 -1.3209 1.00000
102 -1.2595 1.00000
103 -1.2276 1.00000
104 -1.1667 1.00000
105 -0.9742 1.00000
106 -0.9649 1.00000
107 -0.8784 1.00000
108 -0.8631 1.00000
109 -0.8570 1.00000
110 -0.8312 1.00000
111 -0.7801 1.00000
112 -0.7448 1.00000
113 -0.7161 1.00000
114 -0.6693 1.00000
115 -0.6350 1.00000
116 -0.6276 1.00000
117 -0.5947 1.00000
118 -0.5913 1.00000
119 -0.5654 1.00000
120 -0.5430 1.00000
121 -0.5394 1.00000
122 -0.4955 1.00000
123 -0.4824 1.00000
124 -0.4283 1.00000
125 -0.4113 1.00000
126 -0.4051 1.00000
127 -0.3785 1.00000
128 -0.3308 1.00000
129 -0.2755 1.00000
130 -0.2669 1.00000
131 -0.1526 1.00000
132 -0.1438 1.00000
133 -0.0387 1.00000
134 -0.0348 1.00000
135 -0.0339 1.00000
136 0.0109 1.00000
137 0.1378 1.00000
138 0.2121 1.00000
139 0.5129 1.00000
140 0.5567 1.00000
141 0.5624 1.00000
142 0.5890 1.00000
143 0.7401 1.00000
144 0.8207 1.00000
145 0.8759 1.00000
146 0.9488 1.00000
147 0.9643 1.00000
148 1.0090 1.00000
149 1.0099 1.00000
150 1.0538 1.00000
151 1.1179 1.00000
152 1.1421 1.00000
153 1.1489 1.00000
154 1.1611 1.00000
155 1.1689 1.00000
156 1.2102 1.00000
157 1.3421 1.00000
158 1.3882 1.00000
159 1.4297 1.00000
160 1.5480 1.00000
161 1.6528 1.00000
162 1.7717 1.00000
163 1.8041 1.00000
164 1.8244 1.00000
165 1.8460 1.00000
166 1.8713 1.00000
167 1.8721 1.00000
168 1.8886 1.00000
169 1.9327 1.00000
170 1.9545 1.00000
171 1.9741 1.00000
172 2.1448 1.00000
173 2.2165 1.00000
174 2.2340 1.00000
175 2.2686 1.00000
176 2.3083 1.00000
177 2.3421 1.00000
178 2.3920 1.00000
179 2.4619 1.00000
180 2.4784 1.00000
181 2.5001 1.00000
182 2.5047 1.00000
183 2.5099 1.00000
184 2.5227 1.00000
185 2.5406 1.00000
186 2.7424 1.00000
187 2.7573 1.00000
188 2.8030 1.00000
189 2.8140 1.00000
190 2.8745 1.00000
191 3.0375 1.00000
192 3.0514 1.00000
193 5.5938 0.00000
194 5.6519 0.00000
195 5.8815 0.00000
196 5.9499 0.00000
197 6.1679 0.00000
198 6.2127 0.00000
199 6.2177 0.00000
200 6.2465 0.00000
201 6.2632 0.00000
202 6.2873 0.00000
203 6.3042 0.00000
204 6.3284 0.00000
205 6.4174 0.00000
206 6.4392 0.00000
207 6.4478 0.00000
208 6.4631 0.00000
209 6.5818 0.00000
210 6.5924 0.00000
211 6.5950 0.00000
212 6.6132 0.00000
213 6.6219 0.00000
214 6.6238 0.00000
215 6.6271 0.00000
216 6.6272 0.00000
217 6.6326 0.00000
218 6.6692 0.00000
219 6.7413 0.00000
220 6.7464 0.00000
221 6.7573 0.00000
222 6.7591 0.00000
223 6.7799 0.00000
224 6.7941 0.00000
225 6.8169 0.00000
226 6.9169 0.00000
227 7.0455 0.00000
228 7.0913 0.00000
229 7.1447 0.00000
230 7.2251 0.00000
231 7.2466 0.00000
232 7.2961 0.00000
233 7.3638 0.00000
234 7.4276 0.00000
235 7.4438 0.00000
236 7.4516 0.00000
237 7.6977 0.00000
238 7.7160 0.00000
239 7.7622 0.00000
240 7.7916 0.00000
241 8.0361 0.00000
242 8.1446 0.00000
243 8.2861 0.00000
244 8.3345 0.00000
245 8.4775 0.00000
246 8.5294 0.00000
247 8.5846 0.00000
248 8.5861 0.00000
249 8.6759 0.00000
250 8.7853 0.00000
251 9.0151 0.00000
252 9.0448 0.00000
253 9.1332 0.00000
254 9.1556 0.00000
255 9.2461 0.00000
256 9.4623 0.00000
k-point 9 : 0.4167 0.0833 0.2500
band No. band energies occupation
1 -53.3392 1.00000
2 -53.3366 1.00000
3 -53.3275 1.00000
4 -53.3272 1.00000
5 -53.3267 1.00000
6 -53.3252 1.00000
7 -53.3247 1.00000
8 -53.3223 1.00000
9 -53.3091 1.00000
10 -53.3089 1.00000
11 -53.3086 1.00000
12 -53.3071 1.00000
13 -53.3066 1.00000
14 -53.3048 1.00000
15 -53.2986 1.00000
16 -53.2970 1.00000
17 -29.7558 1.00000
18 -29.7555 1.00000
19 -29.7477 1.00000
20 -29.7463 1.00000
21 -29.7378 1.00000
22 -29.7369 1.00000
23 -29.7029 1.00000
24 -29.6944 1.00000
25 -29.6886 1.00000
26 -29.6844 1.00000
27 -29.6784 1.00000
28 -29.6738 1.00000
29 -29.6396 1.00000
30 -29.6250 1.00000
31 -29.6179 1.00000
32 -29.5989 1.00000
33 -29.5955 1.00000
34 -29.5952 1.00000
35 -29.5854 1.00000
36 -29.5848 1.00000
37 -29.5703 1.00000
38 -29.5692 1.00000
39 -29.5688 1.00000
40 -29.5671 1.00000
41 -29.5588 1.00000
42 -29.5584 1.00000
43 -29.5547 1.00000
44 -29.5535 1.00000
45 -29.5283 1.00000
46 -29.5246 1.00000
47 -29.5206 1.00000
48 -29.5085 1.00000
49 -29.4856 1.00000
50 -29.4837 1.00000
51 -29.4772 1.00000
52 -29.4745 1.00000
53 -29.4738 1.00000
54 -29.4736 1.00000
55 -29.4728 1.00000
56 -29.4683 1.00000
57 -29.4674 1.00000
58 -29.4609 1.00000
59 -29.4424 1.00000
60 -29.4417 1.00000
61 -29.4352 1.00000
62 -29.4342 1.00000
63 -29.4278 1.00000
64 -29.4275 1.00000
65 -14.1869 1.00000
66 -14.0701 1.00000
67 -13.9365 1.00000
68 -13.8801 1.00000
69 -13.6717 1.00000
70 -13.6309 1.00000
71 -13.5124 1.00000
72 -13.4907 1.00000
73 -13.4458 1.00000
74 -13.3620 1.00000
75 -13.3049 1.00000
76 -13.2596 1.00000
77 -13.2462 1.00000
78 -13.2154 1.00000
79 -13.1936 1.00000
80 -13.1804 1.00000
81 -13.0845 1.00000
82 -13.0804 1.00000
83 -13.0654 1.00000
84 -13.0375 1.00000
85 -13.0344 1.00000
86 -12.9735 1.00000
87 -12.9666 1.00000
88 -12.9487 1.00000
89 -12.9212 1.00000
90 -12.9103 1.00000
91 -12.8991 1.00000
92 -12.8903 1.00000
93 -12.8845 1.00000
94 -12.8742 1.00000
95 -12.8659 1.00000
96 -12.8344 1.00000
97 -1.3957 1.00000
98 -1.3689 1.00000
99 -1.3445 1.00000
100 -1.3316 1.00000
101 -1.3097 1.00000
102 -1.2693 1.00000
103 -1.2607 1.00000
104 -1.1766 1.00000
105 -1.1479 1.00000
106 -1.1351 1.00000
107 -1.1078 1.00000
108 -1.0439 1.00000
109 -0.9692 1.00000
110 -0.9685 1.00000
111 -0.8056 1.00000
112 -0.7949 1.00000
113 -0.6826 1.00000
114 -0.6760 1.00000
115 -0.6109 1.00000
116 -0.5888 1.00000
117 -0.5754 1.00000
118 -0.5750 1.00000
119 -0.5548 1.00000
120 -0.5469 1.00000
121 -0.5335 1.00000
122 -0.4998 1.00000
123 -0.4287 1.00000
124 -0.4093 1.00000
125 -0.3166 1.00000
126 -0.2559 1.00000
127 -0.2550 1.00000
128 -0.2142 1.00000
129 -0.1831 1.00000
130 -0.1227 1.00000
131 -0.0699 1.00000
132 -0.0449 1.00000
133 0.0654 1.00000
134 0.1552 1.00000
135 0.2503 1.00000
136 0.3719 1.00000
137 0.3818 1.00000
138 0.4115 1.00000
139 0.5076 1.00000
140 0.5161 1.00000
141 0.6059 1.00000
142 0.6416 1.00000
143 0.7001 1.00000
144 0.7068 1.00000
145 0.7073 1.00000
146 0.7458 1.00000
147 0.8128 1.00000
148 0.9909 1.00000
149 1.0149 1.00000
150 1.0462 1.00000
151 1.0467 1.00000
152 1.0682 1.00000
153 1.0932 1.00000
154 1.1107 1.00000
155 1.1584 1.00000
156 1.1831 1.00000
157 1.2875 1.00000
158 1.3184 1.00000
159 1.3323 1.00000
160 1.4036 1.00000
161 1.4662 1.00000
162 1.6060 1.00000
163 1.6235 1.00000
164 1.6749 1.00000
165 1.7787 1.00000
166 1.8337 1.00000
167 1.8398 1.00000
168 1.9581 1.00000
169 2.0590 1.00000
170 2.1493 1.00000
171 2.1677 1.00000
172 2.1962 1.00000
173 2.2614 1.00000
174 2.3226 1.00000
175 2.3518 1.00000
176 2.3730 1.00000
177 2.4270 1.00000
178 2.4456 1.00000
179 2.4635 1.00000
180 2.5132 1.00000
181 2.5274 1.00000
182 2.5522 1.00000
183 2.5682 1.00000
184 2.6031 1.00000
185 2.6297 1.00000
186 2.6391 1.00000
187 2.7105 1.00000
188 2.7116 1.00000
189 2.7813 1.00000
190 2.7842 1.00000
191 2.9613 1.00000
192 2.9653 1.00000
193 5.8268 0.00000
194 5.9292 0.00000
195 6.0010 0.00000
196 6.0989 0.00000
197 6.1221 0.00000
198 6.1408 0.00000
199 6.1720 0.00000
200 6.1740 0.00000
201 6.2045 0.00000
202 6.2185 0.00000
203 6.2412 0.00000
204 6.2605 0.00000
205 6.3201 0.00000
206 6.3328 0.00000
207 6.3451 0.00000
208 6.3625 0.00000
209 6.3914 0.00000
210 6.4560 0.00000
211 6.4695 0.00000
212 6.5287 0.00000
213 6.5532 0.00000
214 6.5974 0.00000
215 6.6025 0.00000
216 6.6041 0.00000
217 6.6203 0.00000
218 6.6252 0.00000
219 6.6282 0.00000
220 6.6461 0.00000
221 6.7533 0.00000
222 6.7549 0.00000
223 6.7576 0.00000
224 6.7710 0.00000
225 6.7707 0.00000
226 6.8128 0.00000
227 6.8955 0.00000
228 6.8957 0.00000
229 7.2386 0.00000
230 7.3129 0.00000
231 7.3216 0.00000
232 7.3531 0.00000
233 7.3541 0.00000
234 7.4018 0.00000
235 7.4508 0.00000
236 7.4997 0.00000
237 7.5008 0.00000
238 7.5219 0.00000
239 7.6098 0.00000
240 7.6467 0.00000
241 8.1151 0.00000
242 8.1968 0.00000
243 8.2046 0.00000
244 8.2661 0.00000
245 8.7682 0.00000
246 8.7770 0.00000
247 8.7879 0.00000
248 8.8028 0.00000
249 8.9181 0.00000
250 8.9278 0.00000
251 8.9342 0.00000
252 8.9703 0.00000
253 8.9782 0.00000
254 9.0199 0.00000
255 9.0669 0.00000
256 9.4200 0.00000
k-point 10 : 0.2500 0.2500 0.2500
band No. band energies occupation
1 -53.3402 1.00000
2 -53.3325 1.00000
3 -53.3325 1.00000
4 -53.3274 1.00000
5 -53.3259 1.00000
6 -53.3259 1.00000
7 -53.3245 1.00000
8 -53.3192 1.00000
9 -53.3117 1.00000
10 -53.3093 1.00000
11 -53.3078 1.00000
12 -53.3078 1.00000
13 -53.3064 1.00000
14 -53.3012 1.00000
15 -53.3012 1.00000
16 -53.2965 1.00000
17 -29.7557 1.00000
18 -29.7535 1.00000
19 -29.7535 1.00000
20 -29.7489 1.00000
21 -29.7268 1.00000
22 -29.7227 1.00000
23 -29.7227 1.00000
24 -29.7077 1.00000
25 -29.6919 1.00000
26 -29.6764 1.00000
27 -29.6614 1.00000
28 -29.6614 1.00000
29 -29.6508 1.00000
30 -29.6508 1.00000
31 -29.6067 1.00000
32 -29.5994 1.00000
33 -29.5978 1.00000
34 -29.5826 1.00000
35 -29.5782 1.00000
36 -29.5747 1.00000
37 -29.5737 1.00000
38 -29.5737 1.00000
39 -29.5736 1.00000
40 -29.5698 1.00000
41 -29.5698 1.00000
42 -29.5651 1.00000
43 -29.5392 1.00000
44 -29.5392 1.00000
45 -29.5357 1.00000
46 -29.5357 1.00000
47 -29.5247 1.00000
48 -29.5023 1.00000
49 -29.4880 1.00000
50 -29.4821 1.00000
51 -29.4821 1.00000
52 -29.4744 1.00000
53 -29.4744 1.00000
54 -29.4734 1.00000
55 -29.4725 1.00000
56 -29.4692 1.00000
57 -29.4609 1.00000
58 -29.4511 1.00000
59 -29.4511 1.00000
60 -29.4494 1.00000
61 -29.4329 1.00000
62 -29.4294 1.00000
63 -29.4294 1.00000
64 -29.4274 1.00000
65 -14.2273 1.00000
66 -13.9515 1.00000
67 -13.8908 1.00000
68 -13.8908 1.00000
69 -13.7736 1.00000
70 -13.7736 1.00000
71 -13.5709 1.00000
72 -13.4249 1.00000
73 -13.3287 1.00000
74 -13.2994 1.00000
75 -13.2846 1.00000
76 -13.2166 1.00000
77 -13.1731 1.00000
78 -13.1731 1.00000
79 -13.1643 1.00000
80 -13.1643 1.00000
81 -13.1378 1.00000
82 -13.1373 1.00000
83 -13.1373 1.00000
84 -13.0675 1.00000
85 -13.0643 1.00000
86 -13.0643 1.00000
87 -13.0272 1.00000
88 -12.9383 1.00000
89 -12.9237 1.00000
90 -12.9093 1.00000
91 -12.9093 1.00000
92 -12.8912 1.00000
93 -12.8605 1.00000
94 -12.8605 1.00000
95 -12.8379 1.00000
96 -12.7842 1.00000
97 -1.4645 1.00000
98 -1.4508 1.00000
99 -1.4508 1.00000
100 -1.4237 1.00000
101 -1.3768 1.00000
102 -1.3768 1.00000
103 -1.3699 1.00000
104 -1.2512 1.00000
105 -0.9157 1.00000
106 -0.9084 1.00000
107 -0.8467 1.00000
108 -0.8152 1.00000
109 -0.8016 1.00000
110 -0.8016 1.00000
111 -0.7909 1.00000
112 -0.7909 1.00000
113 -0.7841 1.00000
114 -0.7318 1.00000
115 -0.7318 1.00000
116 -0.6743 1.00000
117 -0.5507 1.00000
118 -0.4661 1.00000
119 -0.4661 1.00000
120 -0.3939 1.00000
121 -0.3912 1.00000
122 -0.3814 1.00000
123 -0.3814 1.00000
124 -0.3502 1.00000
125 -0.3335 1.00000
126 -0.2511 1.00000
127 -0.2491 1.00000
128 -0.2491 1.00000
129 -0.1656 1.00000
130 -0.1599 1.00000
131 -0.1456 1.00000
132 -0.0868 1.00000
133 -0.0342 1.00000
134 -0.0342 1.00000
135 0.0183 1.00000
136 0.0183 1.00000
137 0.0382 1.00000
138 0.2707 1.00000
139 0.4250 1.00000
140 0.4252 1.00000
141 0.4252 1.00000
142 0.5561 1.00000
143 0.7382 1.00000
144 0.7382 1.00000
145 0.7864 1.00000
146 0.8161 1.00000
147 0.8161 1.00000
148 0.8399 1.00000
149 1.0287 1.00000
150 1.0287 1.00000
151 1.0615 1.00000
152 1.2059 1.00000
153 1.2245 1.00000
154 1.2245 1.00000
155 1.2283 1.00000
156 1.3583 1.00000
157 1.3614 1.00000
158 1.3614 1.00000
159 1.4551 1.00000
160 1.6025 1.00000
161 1.6873 1.00000
162 1.7722 1.00000
163 1.7722 1.00000
164 1.8261 1.00000
165 1.8492 1.00000
166 1.9158 1.00000
167 1.9158 1.00000
168 1.9475 1.00000
169 1.9838 1.00000
170 1.9838 1.00000
171 1.9916 1.00000
172 2.0304 1.00000
173 2.0304 1.00000
174 2.0746 1.00000
175 2.2434 1.00000
176 2.3051 1.00000
177 2.4432 1.00000
178 2.4659 1.00000
179 2.4659 1.00000
180 2.4709 1.00000
181 2.4709 1.00000
182 2.5471 1.00000
183 2.6118 1.00000
184 2.6118 1.00000
185 2.6363 1.00000
186 2.6363 1.00000
187 2.6882 1.00000
188 2.7203 1.00000
189 2.8362 1.00000
190 2.8392 1.00000
191 3.0234 1.00000
192 3.0369 1.00000
193 5.8129 0.00000
194 5.8457 0.00000
195 5.9261 0.00000
196 5.9690 0.00000
197 6.1380 0.00000
198 6.1380 0.00000
199 6.1597 0.00000
200 6.1597 0.00000
201 6.1911 0.00000
202 6.2676 0.00000
203 6.2896 0.00000
204 6.2896 0.00000
205 6.3245 0.00000
206 6.3244 0.00000
207 6.3901 0.00000
208 6.4530 0.00000
209 6.4900 0.00000
210 6.5255 0.00000
211 6.5590 0.00000
212 6.5707 0.00000
213 6.5755 0.00000
214 6.5755 0.00000
215 6.5933 0.00000
216 6.5933 0.00000
217 6.6372 0.00000
218 6.6851 0.00000
219 6.6851 0.00000
220 6.7059 0.00000
221 6.7289 0.00000
222 6.7287 0.00000
223 6.7342 0.00000
224 6.7606 0.00000
225 6.8568 0.00000
226 6.8862 0.00000
227 6.9030 0.00000
228 6.9917 0.00000
229 7.0157 0.00000
230 7.0157 0.00000
231 7.1287 0.00000
232 7.1286 0.00000
233 7.2866 0.00000
234 7.2865 0.00000
235 7.3808 0.00000
236 7.3807 0.00000
237 7.5626 0.00000
238 7.6171 0.00000
239 7.6289 0.00000
240 7.7141 0.00000
241 8.2603 0.00000
242 8.2933 0.00000
243 8.5266 0.00000
244 8.5267 0.00000
245 8.5286 0.00000
246 8.5288 0.00000
247 8.6421 0.00000
248 8.8433 0.00000
249 8.8710 0.00000
250 8.9905 0.00000
251 9.0445 0.00000
252 9.0919 0.00000
253 9.1725 0.00000
254 9.1773 0.00000
255 9.4271 0.00000
256 9.5330 0.00000
k-point 11 : 0.4167 0.2500 0.2500
band No. band energies occupation
1 -53.3382 1.00000
2 -53.3355 1.00000
3 -53.3304 1.00000
4 -53.3276 1.00000
5 -53.3264 1.00000
6 -53.3257 1.00000
7 -53.3239 1.00000
8 -53.3214 1.00000
9 -53.3104 1.00000
10 -53.3093 1.00000
11 -53.3090 1.00000
12 -53.3089 1.00000
13 -53.3041 1.00000
14 -53.3024 1.00000
15 -53.2991 1.00000
16 -53.2975 1.00000
17 -29.7554 1.00000
18 -29.7550 1.00000
19 -29.7526 1.00000
20 -29.7513 1.00000
21 -29.7239 1.00000
22 -29.7229 1.00000
23 -29.7039 1.00000
24 -29.6915 1.00000
25 -29.6872 1.00000
26 -29.6749 1.00000
27 -29.6739 1.00000
28 -29.6600 1.00000
29 -29.6469 1.00000
30 -29.6291 1.00000
31 -29.6270 1.00000
32 -29.6038 1.00000
33 -29.5942 1.00000
34 -29.5934 1.00000
35 -29.5850 1.00000
36 -29.5837 1.00000
37 -29.5747 1.00000
38 -29.5746 1.00000
39 -29.5689 1.00000
40 -29.5679 1.00000
41 -29.5664 1.00000
42 -29.5619 1.00000
43 -29.5519 1.00000
44 -29.5475 1.00000
45 -29.5345 1.00000
46 -29.5288 1.00000
47 -29.5261 1.00000
48 -29.5137 1.00000
49 -29.4871 1.00000
50 -29.4849 1.00000
51 -29.4812 1.00000
52 -29.4777 1.00000
53 -29.4733 1.00000
54 -29.4732 1.00000
55 -29.4711 1.00000
56 -29.4660 1.00000
57 -29.4646 1.00000
58 -29.4584 1.00000
59 -29.4490 1.00000
60 -29.4488 1.00000
61 -29.4290 1.00000
62 -29.4280 1.00000
63 -29.4257 1.00000
64 -29.4252 1.00000
65 -14.1196 1.00000
66 -13.9972 1.00000
67 -13.8680 1.00000
68 -13.8023 1.00000
69 -13.7515 1.00000
70 -13.6270 1.00000
71 -13.5823 1.00000
72 -13.4847 1.00000
73 -13.4483 1.00000
74 -13.3438 1.00000
75 -13.2635 1.00000
76 -13.2387 1.00000
77 -13.2016 1.00000
78 -13.1789 1.00000
79 -13.1674 1.00000
80 -13.1650 1.00000
81 -13.1608 1.00000
82 -13.1524 1.00000
83 -13.1005 1.00000
84 -13.0541 1.00000
85 -13.0479 1.00000
86 -13.0337 1.00000
87 -13.0233 1.00000
88 -12.9802 1.00000
89 -12.9592 1.00000
90 -12.9549 1.00000
91 -12.9082 1.00000
92 -12.8949 1.00000
93 -12.8738 1.00000
94 -12.8709 1.00000
95 -12.8396 1.00000
96 -12.8087 1.00000
97 -1.4501 1.00000
98 -1.4390 1.00000
99 -1.4306 1.00000
100 -1.3984 1.00000
101 -1.3891 1.00000
102 -1.3388 1.00000
103 -1.3207 1.00000
104 -1.2154 1.00000
105 -1.1718 1.00000
106 -1.1475 1.00000
107 -1.1074 1.00000
108 -1.0578 1.00000
109 -0.8333 1.00000
110 -0.8152 1.00000
111 -0.8123 1.00000
112 -0.8051 1.00000
113 -0.8032 1.00000
114 -0.7636 1.00000
115 -0.6958 1.00000
116 -0.6841 1.00000
117 -0.4656 1.00000
118 -0.4502 1.00000
119 -0.3950 1.00000
120 -0.3708 1.00000
121 -0.3287 1.00000
122 -0.2795 1.00000
123 -0.2782 1.00000
124 -0.2240 1.00000
125 -0.2215 1.00000
126 -0.2146 1.00000
127 -0.1886 1.00000
128 -0.1854 1.00000
129 -0.1762 1.00000
130 -0.0561 1.00000
131 -0.0348 1.00000
132 -0.0090 1.00000
133 0.0248 1.00000
134 0.1426 1.00000
135 0.2213 1.00000
136 0.3510 1.00000
137 0.3670 1.00000
138 0.4559 1.00000
139 0.4660 1.00000
140 0.4928 1.00000
141 0.5567 1.00000
142 0.5834 1.00000
143 0.5971 1.00000
144 0.6001 1.00000
145 0.6602 1.00000
146 0.6653 1.00000
147 0.6964 1.00000
148 0.7858 1.00000
149 0.8814 1.00000
150 0.9609 1.00000
151 1.0796 1.00000
152 1.1581 1.00000
153 1.1693 1.00000
154 1.2020 1.00000
155 1.2516 1.00000
156 1.2683 1.00000
157 1.3326 1.00000
158 1.4164 1.00000
159 1.4281 1.00000
160 1.4281 1.00000
161 1.5022 1.00000
162 1.5334 1.00000
163 1.6063 1.00000
164 1.6206 1.00000
165 1.7163 1.00000
166 1.7644 1.00000
167 1.9694 1.00000
168 2.0163 1.00000
169 2.0309 1.00000
170 2.0311 1.00000
171 2.0917 1.00000
172 2.1293 1.00000
173 2.1546 1.00000
174 2.2030 1.00000
175 2.2937 1.00000
176 2.3083 1.00000
177 2.4633 1.00000
178 2.4768 1.00000
179 2.4832 1.00000
180 2.4856 1.00000
181 2.5078 1.00000
182 2.5225 1.00000
183 2.5624 1.00000
184 2.6645 1.00000
185 2.6796 1.00000
186 2.7129 1.00000
187 2.7612 1.00000
188 2.8200 1.00000
189 2.8222 1.00000
190 2.8446 1.00000
191 2.9649 1.00000
192 2.9675 1.00000
193 5.9560 0.00000
194 5.9943 0.00000
195 6.0501 0.00000
196 6.0580 0.00000
197 6.0788 0.00000
198 6.1106 0.00000
199 6.1345 0.00000
200 6.1416 0.00000
201 6.1652 0.00000
202 6.1754 0.00000
203 6.2472 0.00000
204 6.2495 0.00000
205 6.2565 0.00000
206 6.2703 0.00000
207 6.3165 0.00000
208 6.3191 0.00000
209 6.3241 0.00000
210 6.4771 0.00000
211 6.4894 0.00000
212 6.5119 0.00000
213 6.5385 0.00000
214 6.5563 0.00000
215 6.5577 0.00000
216 6.5843 0.00000
217 6.6282 0.00000
218 6.6475 0.00000
219 6.6770 0.00000
220 6.6792 0.00000
221 6.6888 0.00000
222 6.6965 0.00000
223 6.7133 0.00000
224 6.7251 0.00000
225 6.7330 0.00000
226 6.7556 0.00000
227 6.7677 0.00000
228 6.8396 0.00000
229 7.0218 0.00000
230 7.0949 0.00000
231 7.1407 0.00000
232 7.1672 0.00000
233 7.2515 0.00000
234 7.2514 0.00000
235 7.2944 0.00000
236 7.3520 0.00000
237 7.4214 0.00000
238 7.4325 0.00000
239 7.4618 0.00000
240 7.5719 0.00000
241 8.3682 0.00000
242 8.3795 0.00000
243 8.4483 0.00000
244 8.4499 0.00000
245 8.7087 0.00000
246 8.7381 0.00000
247 8.8526 0.00000
248 8.8681 0.00000
249 8.8942 0.00000
250 9.0282 0.00000
251 9.1459 0.00000
252 9.1618 0.00000
253 9.2568 0.00000
254 9.3148 0.00000
255 9.3590 0.00000
256 9.4358 0.00000
k-point 12 : 0.4167 0.4167 0.2500
band No. band energies occupation
1 -53.3361 1.00000
2 -53.3335 1.00000
3 -53.3335 1.00000
4 -53.3307 1.00000
5 -53.3252 1.00000
6 -53.3241 1.00000
7 -53.3241 1.00000
8 -53.3223 1.00000
9 -53.3104 1.00000
10 -53.3097 1.00000
11 -53.3097 1.00000
12 -53.3097 1.00000
13 -53.3019 1.00000
14 -53.3003 1.00000
15 -53.3003 1.00000
16 -53.2986 1.00000
17 -29.7549 1.00000
18 -29.7543 1.00000
19 -29.7543 1.00000
20 -29.7533 1.00000
21 -29.7127 1.00000
22 -29.7066 1.00000
23 -29.7066 1.00000
24 -29.6942 1.00000
25 -29.6792 1.00000
26 -29.6615 1.00000
27 -29.6615 1.00000
28 -29.6565 1.00000
29 -29.6438 1.00000
30 -29.6394 1.00000
31 -29.6394 1.00000
32 -29.6178 1.00000
33 -29.5903 1.00000
34 -29.5896 1.00000
35 -29.5834 1.00000
36 -29.5834 1.00000
37 -29.5817 1.00000
38 -29.5817 1.00000
39 -29.5801 1.00000
40 -29.5773 1.00000
41 -29.5575 1.00000
42 -29.5505 1.00000
43 -29.5456 1.00000
44 -29.5456 1.00000
45 -29.5371 1.00000
46 -29.5371 1.00000
47 -29.5368 1.00000
48 -29.5244 1.00000
49 -29.4869 1.00000
50 -29.4847 1.00000
51 -29.4847 1.00000
52 -29.4820 1.00000
53 -29.4717 1.00000
54 -29.4706 1.00000
55 -29.4706 1.00000
56 -29.4672 1.00000
57 -29.4604 1.00000
58 -29.4553 1.00000
59 -29.4553 1.00000
60 -29.4527 1.00000
61 -29.4251 1.00000
62 -29.4241 1.00000
63 -29.4241 1.00000
64 -29.4233 1.00000
65 -14.0028 1.00000
66 -13.8686 1.00000
67 -13.8686 1.00000
68 -13.7593 1.00000
69 -13.7171 1.00000
70 -13.6669 1.00000
71 -13.6669 1.00000
72 -13.5236 1.00000
73 -13.4255 1.00000
74 -13.3155 1.00000
75 -13.3155 1.00000
76 -13.2641 1.00000
77 -13.2016 1.00000
78 -13.1925 1.00000
79 -13.1427 1.00000
80 -13.1427 1.00000
81 -13.1226 1.00000
82 -13.1216 1.00000
83 -13.1216 1.00000
84 -13.0969 1.00000
85 -13.0783 1.00000
86 -13.0783 1.00000
87 -13.0498 1.00000
88 -13.0044 1.00000
89 -12.9947 1.00000
90 -12.9424 1.00000
91 -12.9424 1.00000
92 -12.9101 1.00000
93 -12.8827 1.00000
94 -12.8520 1.00000
95 -12.8520 1.00000
96 -12.8237 1.00000
97 -1.4337 1.00000
98 -1.4005 1.00000
99 -1.3806 1.00000
100 -1.3806 1.00000
101 -1.3671 1.00000
102 -1.3671 1.00000
103 -1.3036 1.00000
104 -1.2231 1.00000
105 -1.2028 1.00000
106 -1.1884 1.00000
107 -1.1171 1.00000
108 -1.1171 1.00000
109 -1.0909 1.00000
110 -1.0535 1.00000
111 -1.0535 1.00000
112 -1.0052 1.00000
113 -0.7585 1.00000
114 -0.7224 1.00000
115 -0.7224 1.00000
116 -0.7004 1.00000
117 -0.3348 1.00000
118 -0.3348 1.00000
119 -0.3203 1.00000
120 -0.2986 1.00000
121 -0.2782 1.00000
122 -0.1868 1.00000
123 -0.1868 1.00000
124 -0.1706 1.00000
125 -0.1613 1.00000
126 -0.1415 1.00000
127 -0.1415 1.00000
128 -0.0742 1.00000
129 -0.0616 1.00000
130 0.1719 1.00000
131 0.1719 1.00000
132 0.1970 1.00000
133 0.2918 1.00000
134 0.2918 1.00000
135 0.3528 1.00000
136 0.3605 1.00000
137 0.4229 1.00000
138 0.4789 1.00000
139 0.4857 1.00000
140 0.4857 1.00000
141 0.5586 1.00000
142 0.5774 1.00000
143 0.5774 1.00000
144 0.6105 1.00000
145 0.6260 1.00000
146 0.7267 1.00000
147 0.7267 1.00000
148 0.7629 1.00000
149 0.8281 1.00000
150 0.9102 1.00000
151 0.9102 1.00000
152 0.9617 1.00000
153 1.1015 1.00000
154 1.1742 1.00000
155 1.1742 1.00000
156 1.2056 1.00000
157 1.2374 1.00000
158 1.2732 1.00000
159 1.2732 1.00000
160 1.4062 1.00000
161 1.4424 1.00000
162 1.4680 1.00000
163 1.4680 1.00000
164 1.5551 1.00000
165 1.6339 1.00000
166 1.7617 1.00000
167 1.7617 1.00000
168 1.9501 1.00000
169 2.0745 1.00000
170 2.0968 1.00000
171 2.1574 1.00000
172 2.1574 1.00000
173 2.1905 1.00000
174 2.1905 1.00000
175 2.2945 1.00000
176 2.3584 1.00000
177 2.4154 1.00000
178 2.4642 1.00000
179 2.5158 1.00000
180 2.5158 1.00000
181 2.5351 1.00000
182 2.5394 1.00000
183 2.5394 1.00000
184 2.6351 1.00000
185 2.7814 1.00000
186 2.8443 1.00000
187 2.8443 1.00000
188 2.8808 1.00000
189 2.8808 1.00000
190 2.9120 1.00000
191 2.9412 1.00000
192 2.9474 1.00000
193 5.9870 0.00000
194 6.0138 0.00000
195 6.0138 0.00000
196 6.0326 0.00000
197 6.0408 0.00000
198 6.0663 0.00000
199 6.0662 0.00000
200 6.1030 0.00000
201 6.1843 0.00000
202 6.2175 0.00000
203 6.2175 0.00000
204 6.2223 0.00000
205 6.2458 0.00000
206 6.2457 0.00000
207 6.2487 0.00000
208 6.3131 0.00000
209 6.3852 0.00000
210 6.4470 0.00000
211 6.4695 0.00000
212 6.4794 0.00000
213 6.4794 0.00000
214 6.5347 0.00000
215 6.5346 0.00000
216 6.5362 0.00000
217 6.5893 0.00000
218 6.6058 0.00000
219 6.6057 0.00000
220 6.6130 0.00000
221 6.6443 0.00000
222 6.6624 0.00000
223 6.6623 0.00000
224 6.6818 0.00000
225 6.7518 0.00000
226 6.8484 0.00000
227 6.8949 0.00000
228 6.8949 0.00000
229 6.9310 0.00000
230 7.0209 0.00000
231 7.0208 0.00000
232 7.1140 0.00000
233 7.1140 0.00000
234 7.1216 0.00000
235 7.1304 0.00000
236 7.2245 0.00000
237 7.2692 0.00000
238 7.2859 0.00000
239 7.2859 0.00000
240 7.4275 0.00000
241 8.5113 0.00000
242 8.5312 0.00000
243 8.6096 0.00000
244 8.6097 0.00000
245 8.6393 0.00000
246 8.6393 0.00000
247 8.7319 0.00000
248 8.7731 0.00000
249 9.0108 0.00000
250 9.1340 0.00000
251 9.1351 0.00000
252 9.2311 0.00000
253 9.3785 0.00000
254 9.5180 0.00000
255 9.5806 0.00000
256 9.6706 0.00000
k-point 13 : 0.0833 0.0833 0.4167
band No. band energies occupation
1 -53.3390 1.00000
2 -53.3343 1.00000
3 -53.3301 1.00000
4 -53.3301 1.00000
5 -53.3292 1.00000
6 -53.3292 1.00000
7 -53.3175 1.00000
8 -53.3169 1.00000
9 -53.3129 1.00000
10 -53.3122 1.00000
11 -53.3045 1.00000
12 -53.3045 1.00000
13 -53.3037 1.00000
14 -53.3037 1.00000
15 -53.3034 1.00000
16 -53.2987 1.00000
17 -29.7433 1.00000
18 -29.7433 1.00000
19 -29.7392 1.00000
20 -29.7392 1.00000
21 -29.7367 1.00000
22 -29.7344 1.00000
23 -29.7343 1.00000
24 -29.7237 1.00000
25 -29.7216 1.00000
26 -29.7033 1.00000
27 -29.6691 1.00000
28 -29.6691 1.00000
29 -29.6676 1.00000
30 -29.6676 1.00000
31 -29.6012 1.00000
32 -29.6011 1.00000
33 -29.5922 1.00000
34 -29.5920 1.00000
35 -29.5710 1.00000
36 -29.5677 1.00000
37 -29.5653 1.00000
38 -29.5628 1.00000
39 -29.5622 1.00000
40 -29.5622 1.00000
41 -29.5615 1.00000
42 -29.5615 1.00000
43 -29.5279 1.00000
44 -29.5279 1.00000
45 -29.5278 1.00000
46 -29.5278 1.00000
47 -29.4922 1.00000
48 -29.4849 1.00000
49 -29.4825 1.00000
50 -29.4786 1.00000
51 -29.4786 1.00000
52 -29.4779 1.00000
53 -29.4779 1.00000
54 -29.4773 1.00000
55 -29.4749 1.00000
56 -29.4579 1.00000
57 -29.4563 1.00000
58 -29.4554 1.00000
59 -29.4487 1.00000
60 -29.4468 1.00000
61 -29.4458 1.00000
62 -29.4458 1.00000
63 -29.4428 1.00000
64 -29.4428 1.00000
65 -14.2795 1.00000
66 -14.1800 1.00000
67 -13.8861 1.00000
68 -13.8861 1.00000
69 -13.8724 1.00000
70 -13.8724 1.00000
71 -13.5416 1.00000
72 -13.4537 1.00000
73 -13.3312 1.00000
74 -13.3063 1.00000
75 -13.1872 1.00000
76 -13.1872 1.00000
77 -13.1846 1.00000
78 -13.1846 1.00000
79 -13.1745 1.00000
80 -13.1596 1.00000
81 -13.0721 1.00000
82 -13.0579 1.00000
83 -13.0542 1.00000
84 -13.0192 1.00000
85 -13.0192 1.00000
86 -13.0065 1.00000
87 -13.0046 1.00000
88 -13.0046 1.00000
89 -12.9038 1.00000
90 -12.9038 1.00000
91 -12.9005 1.00000
92 -12.9005 1.00000
93 -12.8277 1.00000
94 -12.8226 1.00000
95 -12.7951 1.00000
96 -12.7890 1.00000
97 -1.3038 1.00000
98 -1.3038 1.00000
99 -1.2678 1.00000
100 -1.2678 1.00000
101 -1.2451 1.00000
102 -1.2212 1.00000
103 -1.2158 1.00000
104 -1.1795 1.00000
105 -0.9159 1.00000
106 -0.9159 1.00000
107 -0.9100 1.00000
108 -0.8740 1.00000
109 -0.8682 1.00000
110 -0.8633 1.00000
111 -0.8633 1.00000
112 -0.7902 1.00000
113 -0.6457 1.00000
114 -0.6387 1.00000
115 -0.6192 1.00000
116 -0.6037 1.00000
117 -0.5905 1.00000
118 -0.5514 1.00000
119 -0.5416 1.00000
120 -0.5416 1.00000
121 -0.5376 1.00000
122 -0.5376 1.00000
123 -0.5301 1.00000
124 -0.5161 1.00000
125 -0.4836 1.00000
126 -0.4779 1.00000
127 -0.4725 1.00000
128 -0.4725 1.00000
129 -0.4458 1.00000
130 -0.4458 1.00000
131 -0.4123 1.00000
132 -0.3664 1.00000
133 -0.1579 1.00000
134 -0.1579 1.00000
135 -0.1465 1.00000
136 -0.1465 1.00000
137 0.1648 1.00000
138 0.1896 1.00000
139 0.3560 1.00000
140 0.3790 1.00000
141 0.8987 1.00000
142 0.8987 1.00000
143 0.9920 1.00000
144 0.9920 1.00000
145 1.0382 1.00000
146 1.0382 1.00000
147 1.1087 1.00000
148 1.1097 1.00000
149 1.1134 1.00000
150 1.1134 1.00000
151 1.1684 1.00000
152 1.1696 1.00000
153 1.1734 1.00000
154 1.1734 1.00000
155 1.2377 1.00000
156 1.2377 1.00000
157 1.4166 1.00000
158 1.4286 1.00000
159 1.4286 1.00000
160 1.4357 1.00000
161 1.4987 1.00000
162 1.4994 1.00000
163 1.4994 1.00000
164 1.6584 1.00000
165 1.7026 1.00000
166 1.7284 1.00000
167 1.9518 1.00000
168 1.9758 1.00000
169 2.0605 1.00000
170 2.0794 1.00000
171 2.0964 1.00000
172 2.2185 1.00000
173 2.2264 1.00000
174 2.2264 1.00000
175 2.2296 1.00000
176 2.2296 1.00000
177 2.2979 1.00000
178 2.2979 1.00000
179 2.2983 1.00000
180 2.2983 1.00000
181 2.5063 1.00000
182 2.5063 1.00000
183 2.5077 1.00000
184 2.5077 1.00000
185 2.8035 1.00000
186 2.8614 1.00000
187 2.8653 1.00000
188 2.8770 1.00000
189 2.8803 1.00000
190 2.9200 1.00000
191 2.9636 1.00000
192 2.9684 1.00000
193 5.3612 0.00000
194 5.4138 0.00000
195 5.7843 0.00000
196 5.8425 0.00000
197 6.2692 0.00000
198 6.2692 0.00000
199 6.2729 0.00000
200 6.2728 0.00000
201 6.4573 0.00000
202 6.4770 0.00000
203 6.4892 0.00000
204 6.4891 0.00000
205 6.4920 0.00000
206 6.4920 0.00000
207 6.5396 0.00000
208 6.5666 0.00000
209 6.5907 0.00000
210 6.5935 0.00000
211 6.6364 0.00000
212 6.6364 0.00000
213 6.6383 0.00000
214 6.6383 0.00000
215 6.6627 0.00000
216 6.6626 0.00000
217 6.6708 0.00000
218 6.6722 0.00000
219 6.6722 0.00000
220 6.6755 0.00000
221 6.7923 0.00000
222 6.8023 0.00000
223 6.8297 0.00000
224 6.8440 0.00000
225 7.1403 0.00000
226 7.1428 0.00000
227 7.1761 0.00000
228 7.1771 0.00000
229 7.2540 0.00000
230 7.2539 0.00000
231 7.2694 0.00000
232 7.2694 0.00000
233 7.4593 0.00000
234 7.4591 0.00000
235 7.4648 0.00000
236 7.4647 0.00000
237 7.8349 0.00000
238 7.8419 0.00000
239 7.8527 0.00000
240 7.8612 0.00000
241 7.8940 0.00000
242 7.9377 0.00000
243 8.2345 0.00000
244 8.3006 0.00000
245 8.3606 0.00000
246 8.3607 0.00000
247 8.3684 0.00000
248 8.3684 0.00000
249 8.4049 0.00000
250 8.4971 0.00000
251 9.0782 0.00000
252 9.0928 0.00000
253 9.1227 0.00000
254 9.1569 0.00000
255 9.3526 0.00000
256 9.3950 0.00000
k-point 14 : 0.2500 0.0833 0.4167
band No. band energies occupation
1 -53.3380 1.00000
2 -53.3335 1.00000
3 -53.3319 1.00000
4 -53.3295 1.00000
5 -53.3289 1.00000
6 -53.3281 1.00000
7 -53.3207 1.00000
8 -53.3199 1.00000
9 -53.3104 1.00000
10 -53.3096 1.00000
11 -53.3051 1.00000
12 -53.3048 1.00000
13 -53.3043 1.00000
14 -53.3037 1.00000
15 -53.3024 1.00000
16 -53.2991 1.00000
17 -29.7430 1.00000
18 -29.7430 1.00000
19 -29.7405 1.00000
20 -29.7389 1.00000
21 -29.7372 1.00000
22 -29.7352 1.00000
23 -29.7309 1.00000
24 -29.7110 1.00000
25 -29.7084 1.00000
26 -29.7061 1.00000
27 -29.6727 1.00000
28 -29.6710 1.00000
29 -29.6587 1.00000
30 -29.6546 1.00000
31 -29.6018 1.00000
32 -29.6017 1.00000
33 -29.5875 1.00000
34 -29.5819 1.00000
35 -29.5816 1.00000
36 -29.5808 1.00000
37 -29.5726 1.00000
38 -29.5720 1.00000
39 -29.5675 1.00000
40 -29.5634 1.00000
41 -29.5629 1.00000
42 -29.5614 1.00000
43 -29.5359 1.00000
44 -29.5358 1.00000
45 -29.5241 1.00000
46 -29.5241 1.00000
47 -29.4983 1.00000
48 -29.4930 1.00000
49 -29.4823 1.00000
50 -29.4796 1.00000
51 -29.4776 1.00000
52 -29.4774 1.00000
53 -29.4773 1.00000
54 -29.4766 1.00000
55 -29.4680 1.00000
56 -29.4643 1.00000
57 -29.4623 1.00000
58 -29.4494 1.00000
59 -29.4494 1.00000
60 -29.4444 1.00000
61 -29.4434 1.00000
62 -29.4418 1.00000
63 -29.4408 1.00000
64 -29.4404 1.00000
65 -14.2215 1.00000
66 -14.1251 1.00000
67 -13.9355 1.00000
68 -13.8941 1.00000
69 -13.8051 1.00000
70 -13.7910 1.00000
71 -13.5001 1.00000
72 -13.4143 1.00000
73 -13.3058 1.00000
74 -13.3003 1.00000
75 -13.2821 1.00000
76 -13.2813 1.00000
77 -13.2030 1.00000
78 -13.1956 1.00000
79 -13.1456 1.00000
80 -13.1427 1.00000
81 -13.1402 1.00000
82 -13.1086 1.00000
83 -13.0569 1.00000
84 -13.0411 1.00000
85 -13.0336 1.00000
86 -13.0063 1.00000
87 -12.9919 1.00000
88 -12.9879 1.00000
89 -12.8990 1.00000
90 -12.8968 1.00000
91 -12.8929 1.00000
92 -12.8822 1.00000
93 -12.8639 1.00000
94 -12.8568 1.00000
95 -12.8112 1.00000
96 -12.8009 1.00000
97 -1.4358 1.00000
98 -1.4047 1.00000
99 -1.3841 1.00000
100 -1.3777 1.00000
101 -1.2984 1.00000
102 -1.2666 1.00000
103 -1.2293 1.00000
104 -1.1983 1.00000
105 -0.9128 1.00000
106 -0.8895 1.00000
107 -0.8771 1.00000
108 -0.8730 1.00000
109 -0.8706 1.00000
110 -0.8526 1.00000
111 -0.7785 1.00000
112 -0.7674 1.00000
113 -0.6181 1.00000
114 -0.6042 1.00000
115 -0.5921 1.00000
116 -0.5860 1.00000
117 -0.5839 1.00000
118 -0.5524 1.00000
119 -0.5509 1.00000
120 -0.5071 1.00000
121 -0.4980 1.00000
122 -0.4923 1.00000
123 -0.4613 1.00000
124 -0.4610 1.00000
125 -0.4338 1.00000
126 -0.4262 1.00000
127 -0.4134 1.00000
128 -0.4094 1.00000
129 -0.3646 1.00000
130 -0.3290 1.00000
131 -0.1909 1.00000
132 -0.1697 1.00000
133 -0.1543 1.00000
134 -0.1470 1.00000
135 -0.0700 1.00000
136 -0.0445 1.00000
137 0.0576 1.00000
138 0.0971 1.00000
139 0.4492 1.00000
140 0.4797 1.00000
141 0.6271 1.00000
142 0.6913 1.00000
143 0.8051 1.00000
144 0.8893 1.00000
145 0.8935 1.00000
146 0.9427 1.00000
147 0.9631 1.00000
148 0.9882 1.00000
149 1.0325 1.00000
150 1.1429 1.00000
151 1.1598 1.00000
152 1.1770 1.00000
153 1.1875 1.00000
154 1.1976 1.00000
155 1.3264 1.00000
156 1.3384 1.00000
157 1.3436 1.00000
158 1.4196 1.00000
159 1.4784 1.00000
160 1.5528 1.00000
161 1.6098 1.00000
162 1.7079 1.00000
163 1.7211 1.00000
164 1.7770 1.00000
165 1.8145 1.00000
166 1.8196 1.00000
167 1.8928 1.00000
168 1.9014 1.00000
169 1.9365 1.00000
170 1.9410 1.00000
171 1.9777 1.00000
172 2.0319 1.00000
173 2.2441 1.00000
174 2.2567 1.00000
175 2.2865 1.00000
176 2.3465 1.00000
177 2.3509 1.00000
178 2.3605 1.00000
179 2.5012 1.00000
180 2.5102 1.00000
181 2.5579 1.00000
182 2.5586 1.00000
183 2.5694 1.00000
184 2.5757 1.00000
185 2.6001 1.00000
186 2.6814 1.00000
187 2.7491 1.00000
188 2.7669 1.00000
189 2.7698 1.00000
190 2.7885 1.00000
191 2.9683 1.00000
192 2.9688 1.00000
193 5.6065 0.00000
194 5.6267 0.00000
195 5.9104 0.00000
196 5.9343 0.00000
197 6.1667 0.00000
198 6.1840 0.00000
199 6.2154 0.00000
200 6.2282 0.00000
201 6.2907 0.00000
202 6.3057 0.00000
203 6.3507 0.00000
204 6.3666 0.00000
205 6.4394 0.00000
206 6.4429 0.00000
207 6.4715 0.00000
208 6.4719 0.00000
209 6.5861 0.00000
210 6.5893 0.00000
211 6.5980 0.00000
212 6.6089 0.00000
213 6.6155 0.00000
214 6.6195 0.00000
215 6.6482 0.00000
216 6.6525 0.00000
217 6.6564 0.00000
218 6.6705 0.00000
219 6.6804 0.00000
220 6.6891 0.00000
221 6.7395 0.00000
222 6.7421 0.00000
223 6.7598 0.00000
224 6.7799 0.00000
225 6.8389 0.00000
226 6.8719 0.00000
227 7.0417 0.00000
228 7.0603 0.00000
229 7.1905 0.00000
230 7.2251 0.00000
231 7.2471 0.00000
232 7.2752 0.00000
233 7.3752 0.00000
234 7.4004 0.00000
235 7.4496 0.00000
236 7.4524 0.00000
237 7.7124 0.00000
238 7.7213 0.00000
239 7.7562 0.00000
240 7.7695 0.00000
241 8.0227 0.00000
242 8.0637 0.00000
243 8.2850 0.00000
244 8.3054 0.00000
245 8.5470 0.00000
246 8.5773 0.00000
247 8.5786 0.00000
248 8.5884 0.00000
249 8.6465 0.00000
250 8.7062 0.00000
251 9.0374 0.00000
252 9.0774 0.00000
253 9.1191 0.00000
254 9.1462 0.00000
255 9.2942 0.00000
256 9.4370 0.00000
k-point 15 : 0.4167 0.0833 0.4167
band No. band energies occupation
1 -53.3363 1.00000
2 -53.3341 1.00000
3 -53.3322 1.00000
4 -53.3307 1.00000
5 -53.3268 1.00000
6 -53.3260 1.00000
7 -53.3240 1.00000
8 -53.3231 1.00000
9 -53.3081 1.00000
10 -53.3072 1.00000
11 -53.3063 1.00000
12 -53.3055 1.00000
13 -53.3046 1.00000
14 -53.3041 1.00000
15 -53.3011 1.00000
16 -53.2999 1.00000
17 -29.7426 1.00000
18 -29.7420 1.00000
19 -29.7403 1.00000
20 -29.7387 1.00000
21 -29.7383 1.00000
22 -29.7372 1.00000
23 -29.7209 1.00000
24 -29.7120 1.00000
25 -29.6949 1.00000
26 -29.6925 1.00000
27 -29.6811 1.00000
28 -29.6791 1.00000
29 -29.6386 1.00000
30 -29.6325 1.00000
31 -29.6129 1.00000
32 -29.6059 1.00000
33 -29.5972 1.00000
34 -29.5972 1.00000
35 -29.5866 1.00000
36 -29.5863 1.00000
37 -29.5669 1.00000
38 -29.5666 1.00000
39 -29.5663 1.00000
40 -29.5649 1.00000
41 -29.5623 1.00000
42 -29.5617 1.00000
43 -29.5503 1.00000
44 -29.5500 1.00000
45 -29.5172 1.00000
46 -29.5160 1.00000
47 -29.5077 1.00000
48 -29.5047 1.00000
49 -29.4815 1.00000
50 -29.4806 1.00000
51 -29.4772 1.00000
52 -29.4772 1.00000
53 -29.4749 1.00000
54 -29.4735 1.00000
55 -29.4703 1.00000
56 -29.4685 1.00000
57 -29.4602 1.00000
58 -29.4540 1.00000
59 -29.4437 1.00000
60 -29.4415 1.00000
61 -29.4413 1.00000
62 -29.4408 1.00000
63 -29.4387 1.00000
64 -29.4384 1.00000
65 -14.1243 1.00000
66 -14.0375 1.00000
67 -14.0193 1.00000
68 -13.9517 1.00000
69 -13.6586 1.00000
70 -13.6436 1.00000
71 -13.4765 1.00000
72 -13.4601 1.00000
73 -13.4178 1.00000
74 -13.3411 1.00000
75 -13.2967 1.00000
76 -13.2642 1.00000
77 -13.2466 1.00000
78 -13.2439 1.00000
79 -13.2147 1.00000
80 -13.2105 1.00000
81 -13.0851 1.00000
82 -13.0834 1.00000
83 -13.0589 1.00000
84 -13.0487 1.00000
85 -12.9912 1.00000
86 -12.9671 1.00000
87 -12.9583 1.00000
88 -12.9513 1.00000
89 -12.9368 1.00000
90 -12.9073 1.00000
91 -12.9061 1.00000
92 -12.9023 1.00000
93 -12.8819 1.00000
94 -12.8759 1.00000
95 -12.8539 1.00000
96 -12.8426 1.00000
97 -1.3795 1.00000
98 -1.3563 1.00000
99 -1.3551 1.00000
100 -1.3464 1.00000
101 -1.2943 1.00000
102 -1.2773 1.00000
103 -1.2285 1.00000
104 -1.1866 1.00000
105 -1.1672 1.00000
106 -1.1519 1.00000
107 -1.0842 1.00000
108 -1.0608 1.00000
109 -0.9029 1.00000
110 -0.8972 1.00000
111 -0.8446 1.00000
112 -0.8433 1.00000
113 -0.6017 1.00000
114 -0.5863 1.00000
115 -0.5808 1.00000
116 -0.5757 1.00000
117 -0.5656 1.00000
118 -0.5601 1.00000
119 -0.4935 1.00000
120 -0.4717 1.00000
121 -0.4545 1.00000
122 -0.4473 1.00000
123 -0.4261 1.00000
124 -0.3995 1.00000
125 -0.3451 1.00000
126 -0.3329 1.00000
127 -0.3171 1.00000
128 -0.3084 1.00000
129 -0.3044 1.00000
130 -0.2826 1.00000
131 -0.2636 1.00000
132 -0.2179 1.00000
133 0.0628 1.00000
134 0.1106 1.00000
135 0.2971 1.00000
136 0.3505 1.00000
137 0.3771 1.00000
138 0.3895 1.00000
139 0.5089 1.00000
140 0.5134 1.00000
141 0.5573 1.00000
142 0.5852 1.00000
143 0.6934 1.00000
144 0.7116 1.00000
145 0.7700 1.00000
146 0.7960 1.00000
147 0.8607 1.00000
148 0.9636 1.00000
149 1.0668 1.00000
150 1.0728 1.00000
151 1.0815 1.00000
152 1.1175 1.00000
153 1.1261 1.00000
154 1.2470 1.00000
155 1.2777 1.00000
156 1.2853 1.00000
157 1.2878 1.00000
158 1.3521 1.00000
159 1.3672 1.00000
160 1.4372 1.00000
161 1.5063 1.00000
162 1.5657 1.00000
163 1.6361 1.00000
164 1.6609 1.00000
165 1.6920 1.00000
166 1.7244 1.00000
167 1.8268 1.00000
168 1.8903 1.00000
169 2.1294 1.00000
170 2.1320 1.00000
171 2.1752 1.00000
172 2.2081 1.00000
173 2.2911 1.00000
174 2.3241 1.00000
175 2.3972 1.00000
176 2.4287 1.00000
177 2.4489 1.00000
178 2.4630 1.00000
179 2.4786 1.00000
180 2.4952 1.00000
181 2.5594 1.00000
182 2.5657 1.00000
183 2.5973 1.00000
184 2.6009 1.00000
185 2.6189 1.00000
186 2.6199 1.00000
187 2.6221 1.00000
188 2.6607 1.00000
189 2.7533 1.00000
190 2.7619 1.00000
191 2.9036 1.00000
192 2.9088 1.00000
193 5.8457 0.00000
194 5.8799 0.00000
195 6.0180 0.00000
196 6.0516 0.00000
197 6.1525 0.00000
198 6.1638 0.00000
199 6.1710 0.00000
200 6.2031 0.00000
201 6.2089 0.00000
202 6.2186 0.00000
203 6.2518 0.00000
204 6.2572 0.00000
205 6.3408 0.00000
206 6.3434 0.00000
207 6.3535 0.00000
208 6.3604 0.00000
209 6.4145 0.00000
210 6.4429 0.00000
211 6.5026 0.00000
212 6.5231 0.00000
213 6.5842 0.00000
214 6.6090 0.00000
215 6.6122 0.00000
216 6.6172 0.00000
217 6.6195 0.00000
218 6.6383 0.00000
219 6.6439 0.00000
220 6.6538 0.00000
221 6.6959 0.00000
222 6.7032 0.00000
223 6.7285 0.00000
224 6.7303 0.00000
225 6.7917 0.00000
226 6.8210 0.00000
227 6.8425 0.00000
228 6.8540 0.00000
229 7.2735 0.00000
230 7.3025 0.00000
231 7.3445 0.00000
232 7.3664 0.00000
233 7.3732 0.00000
234 7.3902 0.00000
235 7.4366 0.00000
236 7.4625 0.00000
237 7.5242 0.00000
238 7.5364 0.00000
239 7.5961 0.00000
240 7.6141 0.00000
241 8.1032 0.00000
242 8.1387 0.00000
243 8.1881 0.00000
244 8.2168 0.00000
245 8.7811 0.00000
246 8.7831 0.00000
247 8.8280 0.00000
248 8.8679 0.00000
249 8.8811 0.00000
250 8.9426 0.00000
251 8.9480 0.00000
252 8.9484 0.00000
253 8.9574 0.00000
254 8.9819 0.00000
255 9.0973 0.00000
256 9.1935 0.00000
k-point 16 : 0.2500 0.2500 0.4167
band No. band energies occupation
1 -53.3371 1.00000
2 -53.3327 1.00000
3 -53.3308 1.00000
4 -53.3308 1.00000
5 -53.3284 1.00000
6 -53.3284 1.00000
7 -53.3232 1.00000
8 -53.3214 1.00000
9 -53.3095 1.00000
10 -53.3077 1.00000
11 -53.3053 1.00000
12 -53.3053 1.00000
13 -53.3039 1.00000
14 -53.3030 1.00000
15 -53.3030 1.00000
16 -53.2996 1.00000
17 -29.7429 1.00000
18 -29.7429 1.00000
19 -29.7426 1.00000
20 -29.7360 1.00000
21 -29.7347 1.00000
22 -29.7311 1.00000
23 -29.7311 1.00000
24 -29.7085 1.00000
25 -29.7020 1.00000
26 -29.6965 1.00000
27 -29.6627 1.00000
28 -29.6627 1.00000
29 -29.6581 1.00000
30 -29.6581 1.00000
31 -29.6008 1.00000
32 -29.6007 1.00000
33 -29.5972 1.00000
34 -29.5892 1.00000
35 -29.5744 1.00000
36 -29.5736 1.00000
37 -29.5735 1.00000
38 -29.5735 1.00000
39 -29.5731 1.00000
40 -29.5718 1.00000
41 -29.5718 1.00000
42 -29.5695 1.00000
43 -29.5321 1.00000
44 -29.5321 1.00000
45 -29.5315 1.00000
46 -29.5315 1.00000
47 -29.5044 1.00000
48 -29.4997 1.00000
49 -29.4829 1.00000
50 -29.4792 1.00000
51 -29.4792 1.00000
52 -29.4776 1.00000
53 -29.4763 1.00000
54 -29.4763 1.00000
55 -29.4689 1.00000
56 -29.4648 1.00000
57 -29.4623 1.00000
58 -29.4466 1.00000
59 -29.4466 1.00000
60 -29.4447 1.00000
61 -29.4440 1.00000
62 -29.4382 1.00000
63 -29.4382 1.00000
64 -29.4381 1.00000
65 -14.1604 1.00000
66 -14.0662 1.00000
67 -13.8570 1.00000
68 -13.8570 1.00000
69 -13.8145 1.00000
70 -13.8145 1.00000
71 -13.4625 1.00000
72 -13.3938 1.00000
73 -13.3772 1.00000
74 -13.3507 1.00000
75 -13.2785 1.00000
76 -13.2531 1.00000
77 -13.1583 1.00000
78 -13.1583 1.00000
79 -13.1516 1.00000
80 -13.1516 1.00000
81 -13.1317 1.00000
82 -13.1317 1.00000
83 -13.0954 1.00000
84 -13.0954 1.00000
85 -13.0928 1.00000
86 -13.0555 1.00000
87 -13.0160 1.00000
88 -12.9713 1.00000
89 -12.9142 1.00000
90 -12.9035 1.00000
91 -12.8911 1.00000
92 -12.8911 1.00000
93 -12.8734 1.00000
94 -12.8734 1.00000
95 -12.8172 1.00000
96 -12.7985 1.00000
97 -1.4446 1.00000
98 -1.4312 1.00000
99 -1.4312 1.00000
100 -1.4299 1.00000
101 -1.4047 1.00000
102 -1.4047 1.00000
103 -1.3309 1.00000
104 -1.2897 1.00000
105 -0.9215 1.00000
106 -0.9214 1.00000
107 -0.7963 1.00000
108 -0.7963 1.00000
109 -0.7954 1.00000
110 -0.7924 1.00000
111 -0.7924 1.00000
112 -0.7864 1.00000
113 -0.6844 1.00000
114 -0.5862 1.00000
115 -0.5862 1.00000
116 -0.5832 1.00000
117 -0.5216 1.00000
118 -0.4901 1.00000
119 -0.4791 1.00000
120 -0.4436 1.00000
121 -0.4436 1.00000
122 -0.4398 1.00000
123 -0.4068 1.00000
124 -0.4068 1.00000
125 -0.3992 1.00000
126 -0.3992 1.00000
127 -0.3246 1.00000
128 -0.2963 1.00000
129 -0.1747 1.00000
130 -0.1720 1.00000
131 -0.1221 1.00000
132 -0.0884 1.00000
133 -0.0766 1.00000
134 -0.0766 1.00000
135 -0.0464 1.00000
136 -0.0464 1.00000
137 -0.0163 1.00000
138 0.1000 1.00000
139 0.4565 1.00000
140 0.5201 1.00000
141 0.5300 1.00000
142 0.5300 1.00000
143 0.6388 1.00000
144 0.6388 1.00000
145 0.7793 1.00000
146 0.8069 1.00000
147 0.9460 1.00000
148 0.9460 1.00000
149 1.0191 1.00000
150 1.0191 1.00000
151 1.1514 1.00000
152 1.2042 1.00000
153 1.3392 1.00000
154 1.3392 1.00000
155 1.3603 1.00000
156 1.3603 1.00000
157 1.3692 1.00000
158 1.4067 1.00000
159 1.6213 1.00000
160 1.6349 1.00000
161 1.7304 1.00000
162 1.7304 1.00000
163 1.7440 1.00000
164 1.7598 1.00000
165 1.8221 1.00000
166 1.8221 1.00000
167 1.8344 1.00000
168 1.8512 1.00000
169 1.9639 1.00000
170 1.9639 1.00000
171 1.9719 1.00000
172 1.9719 1.00000
173 2.0422 1.00000
174 2.1329 1.00000
175 2.3597 1.00000
176 2.3789 1.00000
177 2.4287 1.00000
178 2.4613 1.00000
179 2.4870 1.00000
180 2.4870 1.00000
181 2.4998 1.00000
182 2.4998 1.00000
183 2.6491 1.00000
184 2.6529 1.00000
185 2.6529 1.00000
186 2.6530 1.00000
187 2.6530 1.00000
188 2.7005 1.00000
189 2.7600 1.00000
190 2.7993 1.00000
191 2.9623 1.00000
192 2.9696 1.00000
193 5.8172 0.00000
194 5.8275 0.00000
195 5.9468 0.00000
196 5.9608 0.00000
197 6.1382 0.00000
198 6.1382 0.00000
199 6.1471 0.00000
200 6.1470 0.00000
201 6.2684 0.00000
202 6.2911 0.00000
203 6.2944 0.00000
204 6.2943 0.00000
205 6.3079 0.00000
206 6.3079 0.00000
207 6.4314 0.00000
208 6.4752 0.00000
209 6.5079 0.00000
210 6.5086 0.00000
211 6.5320 0.00000
212 6.5840 0.00000
213 6.5840 0.00000
214 6.5858 0.00000
215 6.5921 0.00000
216 6.5920 0.00000
217 6.6551 0.00000
218 6.6652 0.00000
219 6.6687 0.00000
220 6.6972 0.00000
221 6.7024 0.00000
222 6.7022 0.00000
223 6.7168 0.00000
224 6.7167 0.00000
225 6.8804 0.00000
226 6.8891 0.00000
227 6.9311 0.00000
228 6.9636 0.00000
229 7.0478 0.00000
230 7.0478 0.00000
231 7.0895 0.00000
232 7.0895 0.00000
233 7.3156 0.00000
234 7.3155 0.00000
235 7.3498 0.00000
236 7.3497 0.00000
237 7.5847 0.00000
238 7.6044 0.00000
239 7.6483 0.00000
240 7.6801 0.00000
241 8.2117 0.00000
242 8.2307 0.00000
243 8.5032 0.00000
244 8.5033 0.00000
245 8.5071 0.00000
246 8.5074 0.00000
247 8.7422 0.00000
248 8.8162 0.00000
249 8.9177 0.00000
250 8.9823 0.00000
251 8.9956 0.00000
252 9.0007 0.00000
253 9.2929 0.00000
254 9.3247 0.00000
255 9.4150 0.00000
256 9.4844 0.00000
k-point 17 : 0.4167 0.2500 0.4167
band No. band energies occupation
1 -53.3353 1.00000
2 -53.3331 1.00000
3 -53.3313 1.00000
4 -53.3297 1.00000
5 -53.3288 1.00000
6 -53.3265 1.00000
7 -53.3261 1.00000
8 -53.3239 1.00000
9 -53.3078 1.00000
10 -53.3064 1.00000
11 -53.3057 1.00000
12 -53.3050 1.00000
13 -53.3044 1.00000
14 -53.3041 1.00000
15 -53.3016 1.00000
16 -53.3004 1.00000
17 -29.7430 1.00000
18 -29.7429 1.00000
19 -29.7405 1.00000
20 -29.7378 1.00000
21 -29.7330 1.00000
22 -29.7317 1.00000
23 -29.7218 1.00000
24 -29.7138 1.00000
25 -29.6866 1.00000
26 -29.6806 1.00000
27 -29.6720 1.00000
28 -29.6665 1.00000
29 -29.6432 1.00000
30 -29.6364 1.00000
31 -29.6189 1.00000
32 -29.6109 1.00000
33 -29.5964 1.00000
34 -29.5961 1.00000
35 -29.5867 1.00000
36 -29.5858 1.00000
37 -29.5748 1.00000
38 -29.5744 1.00000
39 -29.5719 1.00000
40 -29.5718 1.00000
41 -29.5613 1.00000
42 -29.5603 1.00000
43 -29.5458 1.00000
44 -29.5448 1.00000
45 -29.5245 1.00000
46 -29.5228 1.00000
47 -29.5143 1.00000
48 -29.5111 1.00000
49 -29.4823 1.00000
50 -29.4809 1.00000
51 -29.4774 1.00000
52 -29.4772 1.00000
53 -29.4766 1.00000
54 -29.4737 1.00000
55 -29.4735 1.00000
56 -29.4694 1.00000
57 -29.4556 1.00000
58 -29.4504 1.00000
59 -29.4438 1.00000
60 -29.4430 1.00000
61 -29.4400 1.00000
62 -29.4378 1.00000
63 -29.4358 1.00000
64 -29.4357 1.00000
65 -14.0577 1.00000
66 -13.9710 1.00000
67 -13.9460 1.00000
68 -13.8771 1.00000
69 -13.7166 1.00000
70 -13.6717 1.00000
71 -13.5469 1.00000
72 -13.4995 1.00000
73 -13.3876 1.00000
74 -13.3088 1.00000
75 -13.2744 1.00000
76 -13.2333 1.00000
77 -13.2118 1.00000
78 -13.2099 1.00000
79 -13.1889 1.00000
80 -13.1721 1.00000
81 -13.1340 1.00000
82 -13.1183 1.00000
83 -13.1091 1.00000
84 -13.0810 1.00000
85 -13.0531 1.00000
86 -13.0486 1.00000
87 -12.9785 1.00000
88 -12.9750 1.00000
89 -12.9666 1.00000
90 -12.9383 1.00000
91 -12.9277 1.00000
92 -12.8972 1.00000
93 -12.8745 1.00000
94 -12.8546 1.00000
95 -12.8472 1.00000
96 -12.8253 1.00000
97 -1.4401 1.00000
98 -1.4333 1.00000
99 -1.4262 1.00000
100 -1.4114 1.00000
101 -1.3763 1.00000
102 -1.3581 1.00000
103 -1.2863 1.00000
104 -1.2495 1.00000
105 -1.1683 1.00000
106 -1.1589 1.00000
107 -1.0899 1.00000
108 -1.0726 1.00000
109 -0.8231 1.00000
110 -0.8158 1.00000
111 -0.8093 1.00000
112 -0.8049 1.00000
113 -0.6427 1.00000
114 -0.6088 1.00000
115 -0.5758 1.00000
116 -0.5652 1.00000
117 -0.4715 1.00000
118 -0.4524 1.00000
119 -0.4438 1.00000
120 -0.4253 1.00000
121 -0.3697 1.00000
122 -0.3623 1.00000
123 -0.3587 1.00000
124 -0.3359 1.00000
125 -0.2966 1.00000
126 -0.2948 1.00000
127 -0.2750 1.00000
128 -0.2698 1.00000
129 -0.1326 1.00000
130 -0.1007 1.00000
131 -0.1006 1.00000
132 -0.0619 1.00000
133 -0.0016 1.00000
134 0.1216 1.00000
135 0.2268 1.00000
136 0.3427 1.00000
137 0.3501 1.00000
138 0.3524 1.00000
139 0.5111 1.00000
140 0.5343 1.00000
141 0.5528 1.00000
142 0.5833 1.00000
143 0.6035 1.00000
144 0.6208 1.00000
145 0.6247 1.00000
146 0.7090 1.00000
147 0.7446 1.00000
148 0.7479 1.00000
149 1.0424 1.00000
150 1.0454 1.00000
151 1.0683 1.00000
152 1.1643 1.00000
153 1.1831 1.00000
154 1.1877 1.00000
155 1.2529 1.00000
156 1.3821 1.00000
157 1.4084 1.00000
158 1.4459 1.00000
159 1.4565 1.00000
160 1.5099 1.00000
161 1.5280 1.00000
162 1.5382 1.00000
163 1.6581 1.00000
164 1.6874 1.00000
165 1.7088 1.00000
166 1.7145 1.00000
167 1.8390 1.00000
168 1.8659 1.00000
169 2.0533 1.00000
170 2.0925 1.00000
171 2.1482 1.00000
172 2.1629 1.00000
173 2.1709 1.00000
174 2.2058 1.00000
175 2.2539 1.00000
176 2.2984 1.00000
177 2.4691 1.00000
178 2.4847 1.00000
179 2.4878 1.00000
180 2.5005 1.00000
181 2.5158 1.00000
182 2.5169 1.00000
183 2.5389 1.00000
184 2.5730 1.00000
185 2.7219 1.00000
186 2.7339 1.00000
187 2.7480 1.00000
188 2.7964 1.00000
189 2.8064 1.00000
190 2.8212 1.00000
191 2.9155 1.00000
192 2.9328 1.00000
193 5.9636 0.00000
194 5.9772 0.00000
195 6.0466 0.00000
196 6.0487 0.00000
197 6.0914 0.00000
198 6.1095 0.00000
199 6.1467 0.00000
200 6.1477 0.00000
201 6.1573 0.00000
202 6.1645 0.00000
203 6.2587 0.00000
204 6.2673 0.00000
205 6.2698 0.00000
206 6.2701 0.00000
207 6.3363 0.00000
208 6.3643 0.00000
209 6.3655 0.00000
210 6.4224 0.00000
211 6.4835 0.00000
212 6.4940 0.00000
213 6.5314 0.00000
214 6.5659 0.00000
215 6.5843 0.00000
216 6.5899 0.00000
217 6.6504 0.00000
218 6.6502 0.00000
219 6.6584 0.00000
220 6.6703 0.00000
221 6.6774 0.00000
222 6.6814 0.00000
223 6.6809 0.00000
224 6.7087 0.00000
225 6.7276 0.00000
226 6.7500 0.00000
227 6.7857 0.00000
228 6.8159 0.00000
229 7.0431 0.00000
230 7.0695 0.00000
231 7.1825 0.00000
232 7.1922 0.00000
233 7.2229 0.00000
234 7.2231 0.00000
235 7.3325 0.00000
236 7.3842 0.00000
237 7.3844 0.00000
238 7.4119 0.00000
239 7.4838 0.00000
240 7.5275 0.00000
241 8.3179 0.00000
242 8.3297 0.00000
243 8.4064 0.00000
244 8.4138 0.00000
245 8.6904 0.00000
246 8.6947 0.00000
247 8.8389 0.00000
248 8.8443 0.00000
249 8.9876 0.00000
250 9.0860 0.00000
251 9.1676 0.00000
252 9.2036 0.00000
253 9.2655 0.00000
254 9.3007 0.00000
255 9.3758 0.00000
256 9.4314 0.00000
k-point 18 : 0.4167 0.4167 0.4167
band No. band energies occupation
1 -53.3335 1.00000
2 -53.3312 1.00000
3 -53.3312 1.00000
4 -53.3298 1.00000
5 -53.3287 1.00000
6 -53.3280 1.00000
7 -53.3280 1.00000
8 -53.3258 1.00000
9 -53.3069 1.00000
10 -53.3058 1.00000
11 -53.3058 1.00000
12 -53.3051 1.00000
13 -53.3040 1.00000
14 -53.3026 1.00000
15 -53.3026 1.00000
16 -53.3013 1.00000
17 -29.7422 1.00000
18 -29.7411 1.00000
19 -29.7411 1.00000
20 -29.7390 1.00000
21 -29.7278 1.00000
22 -29.7240 1.00000
23 -29.7240 1.00000
24 -29.7177 1.00000
25 -29.6708 1.00000
26 -29.6630 1.00000
27 -29.6543 1.00000
28 -29.6543 1.00000
29 -29.6464 1.00000
30 -29.6464 1.00000
31 -29.6338 1.00000
32 -29.6251 1.00000
33 -29.5932 1.00000
34 -29.5927 1.00000
35 -29.5859 1.00000
36 -29.5859 1.00000
37 -29.5846 1.00000
38 -29.5846 1.00000
39 -29.5826 1.00000
40 -29.5808 1.00000
41 -29.5505 1.00000
42 -29.5489 1.00000
43 -29.5370 1.00000
44 -29.5370 1.00000
45 -29.5350 1.00000
46 -29.5350 1.00000
47 -29.5254 1.00000
48 -29.5225 1.00000
49 -29.4818 1.00000
50 -29.4799 1.00000
51 -29.4799 1.00000
52 -29.4773 1.00000
53 -29.4763 1.00000
54 -29.4748 1.00000
55 -29.4748 1.00000
56 -29.4720 1.00000
57 -29.4504 1.00000
58 -29.4465 1.00000
59 -29.4465 1.00000
60 -29.4442 1.00000
61 -29.4363 1.00000
62 -29.4348 1.00000
63 -29.4348 1.00000
64 -29.4340 1.00000
65 -13.9437 1.00000
66 -13.8605 1.00000
67 -13.8177 1.00000
68 -13.8177 1.00000
69 -13.7475 1.00000
70 -13.7475 1.00000
71 -13.6698 1.00000
72 -13.6036 1.00000
73 -13.3304 1.00000
74 -13.2544 1.00000
75 -13.2416 1.00000
76 -13.2416 1.00000
77 -13.1919 1.00000
78 -13.1798 1.00000
79 -13.1798 1.00000
80 -13.1772 1.00000
81 -13.1539 1.00000
82 -13.1350 1.00000
83 -13.1171 1.00000
84 -13.1171 1.00000
85 -13.1004 1.00000
86 -13.1004 1.00000
87 -13.0412 1.00000
88 -13.0260 1.00000
89 -12.9502 1.00000
90 -12.9114 1.00000
91 -12.9078 1.00000
92 -12.9078 1.00000
93 -12.8760 1.00000
94 -12.8760 1.00000
95 -12.8760 1.00000
96 -12.8460 1.00000
97 -1.4246 1.00000
98 -1.4144 1.00000
99 -1.3779 1.00000
100 -1.3779 1.00000
101 -1.3725 1.00000
102 -1.3725 1.00000
103 -1.2608 1.00000
104 -1.2233 1.00000
105 -1.2214 1.00000
106 -1.2186 1.00000
107 -1.0940 1.00000
108 -1.0940 1.00000
109 -1.0716 1.00000
110 -1.0716 1.00000
111 -1.0536 1.00000
112 -1.0251 1.00000
113 -0.5951 1.00000
114 -0.5749 1.00000
115 -0.5749 1.00000
116 -0.5744 1.00000
117 -0.4226 1.00000
118 -0.3917 1.00000
119 -0.3917 1.00000
120 -0.3761 1.00000
121 -0.2941 1.00000
122 -0.2839 1.00000
123 -0.2839 1.00000
124 -0.2711 1.00000
125 -0.2324 1.00000
126 -0.2291 1.00000
127 -0.2291 1.00000
128 -0.2085 1.00000
129 0.0121 1.00000
130 0.1202 1.00000
131 0.1958 1.00000
132 0.1958 1.00000
133 0.2533 1.00000
134 0.2533 1.00000
135 0.3605 1.00000
136 0.3711 1.00000
137 0.3969 1.00000
138 0.4185 1.00000
139 0.4979 1.00000
140 0.4979 1.00000
141 0.5302 1.00000
142 0.5302 1.00000
143 0.6085 1.00000
144 0.6773 1.00000
145 0.6784 1.00000
146 0.6932 1.00000
147 0.8614 1.00000
148 0.8614 1.00000
149 0.9170 1.00000
150 0.9170 1.00000
151 0.9478 1.00000
152 0.9695 1.00000
153 1.1067 1.00000
154 1.1677 1.00000
155 1.1896 1.00000
156 1.1896 1.00000
157 1.2250 1.00000
158 1.2250 1.00000
159 1.3009 1.00000
160 1.3723 1.00000
161 1.5339 1.00000
162 1.5971 1.00000
163 1.6057 1.00000
164 1.6057 1.00000
165 1.6999 1.00000
166 1.6999 1.00000
167 1.7008 1.00000
168 1.8396 1.00000
169 2.1311 1.00000
170 2.1638 1.00000
171 2.1638 1.00000
172 2.2266 1.00000
173 2.2266 1.00000
174 2.2520 1.00000
175 2.2940 1.00000
176 2.3647 1.00000
177 2.4052 1.00000
178 2.4317 1.00000
179 2.4471 1.00000
180 2.4471 1.00000
181 2.4651 1.00000
182 2.4889 1.00000
183 2.5069 1.00000
184 2.5069 1.00000
185 2.8415 1.00000
186 2.8696 1.00000
187 2.8696 1.00000
188 2.8726 1.00000
189 2.8726 1.00000
190 2.8828 1.00000
191 2.9182 1.00000
192 2.9373 1.00000
193 5.9876 0.00000
194 6.0021 0.00000
195 6.0165 0.00000
196 6.0165 0.00000
197 6.0332 0.00000
198 6.0331 0.00000
199 6.0553 0.00000
200 6.0729 0.00000
201 6.2487 0.00000
202 6.2651 0.00000
203 6.2651 0.00000
204 6.2872 0.00000
205 6.2871 0.00000
206 6.2894 0.00000
207 6.3066 0.00000
208 6.3188 0.00000
209 6.3695 0.00000
210 6.3873 0.00000
211 6.4207 0.00000
212 6.4515 0.00000
213 6.4515 0.00000
214 6.4864 0.00000
215 6.4863 0.00000
216 6.5204 0.00000
217 6.6162 0.00000
218 6.6175 0.00000
219 6.6171 0.00000
220 6.6242 0.00000
221 6.6240 0.00000
222 6.6357 0.00000
223 6.6351 0.00000
224 6.6350 0.00000
225 6.7935 0.00000
226 6.8279 0.00000
227 6.9505 0.00000
228 6.9505 0.00000
229 6.9939 0.00000
230 6.9939 0.00000
231 6.9986 0.00000
232 7.0709 0.00000
233 7.1663 0.00000
234 7.1672 0.00000
235 7.1672 0.00000
236 7.2025 0.00000
237 7.2305 0.00000
238 7.2305 0.00000
239 7.3153 0.00000
240 7.3739 0.00000
241 8.4663 0.00000
242 8.4693 0.00000
243 8.5777 0.00000
244 8.5778 0.00000
245 8.5789 0.00000
246 8.5789 0.00000
247 8.7059 0.00000
248 8.7110 0.00000
249 9.1557 0.00000
250 9.2646 0.00000
251 9.2848 0.00000
252 9.2868 0.00000
253 9.3820 0.00000
254 9.4152 0.00000
255 9.4332 0.00000
256 9.5252 0.00000
--------------------------------------------------------------------------------------------------------
soft charge-density along one line, spin component 1
0 1 2 3 4 5 6 7 8 9
total charge-density along one line
soft charge-density along one line, spin component 2
0 1 2 3 4 5 6 7 8 9
total charge-density along one line
pseudopotential strength for first ion, spin component: 1
-3.220 -22.290 -0.000 -0.000 0.000 0.000 0.000 -0.000
-22.290 9.918 -0.000 -0.000 0.000 -0.000 -0.000 0.000
-0.000 -0.000 -25.560 -0.000 0.000 9.261 0.000 -0.000
-0.000 -0.000 -0.000 -25.582 -0.000 0.000 9.276 0.000
0.000 0.000 0.000 -0.000 -25.560 -0.000 0.000 9.261
0.000 -0.000 9.261 0.000 -0.000 5.542 -0.000 0.000
0.000 -0.000 0.000 9.276 0.000 -0.000 5.537 -0.000
-0.000 0.000 -0.000 0.000 9.261 0.000 -0.000 5.542
0.000 0.000 -0.000 -0.000 0.000 0.000 0.000 -0.000
-0.000 -0.000 -0.006 0.000 -0.000 0.003 -0.000 0.000
-0.009 -0.003 0.000 -0.000 -0.000 -0.000 0.000 0.000
-0.000 -0.000 -0.000 -0.000 0.006 0.000 0.000 -0.003
-0.000 -0.000 0.000 0.006 0.000 -0.000 -0.003 -0.000
0.000 0.000 -0.000 -0.000 0.000 0.000 0.000 -0.000
-0.000 -0.000 -0.007 0.000 -0.000 0.003 -0.000 0.000
-0.012 -0.003 0.000 -0.000 -0.000 -0.000 0.000 0.000
-0.000 -0.000 -0.000 -0.000 0.007 0.000 0.000 -0.003
-0.000 -0.000 0.000 0.007 0.000 -0.000 -0.003 -0.000
pseudopotential strength for first ion, spin component: 2
-3.220 -22.290 -0.000 -0.000 0.000 0.000 0.000 -0.000
-22.290 9.918 -0.000 -0.000 0.000 -0.000 -0.000 0.000
-0.000 -0.000 -25.560 -0.000 0.000 9.261 0.000 -0.000
-0.000 -0.000 -0.000 -25.582 -0.000 0.000 9.276 0.000
0.000 0.000 0.000 -0.000 -25.560 -0.000 0.000 9.261
0.000 -0.000 9.261 0.000 -0.000 5.542 -0.000 0.000
0.000 -0.000 0.000 9.276 0.000 -0.000 5.537 -0.000
-0.000 0.000 -0.000 0.000 9.261 0.000 -0.000 5.542
0.000 0.000 -0.000 -0.000 0.000 0.000 0.000 -0.000
-0.000 -0.000 -0.006 0.000 -0.000 0.003 -0.000 0.000
-0.009 -0.003 0.000 -0.000 -0.000 -0.000 0.000 0.000
-0.000 -0.000 -0.000 -0.000 0.006 0.000 0.000 -0.003
-0.000 -0.000 0.000 0.006 0.000 -0.000 -0.003 -0.000
0.000 0.000 -0.000 -0.000 0.000 0.000 0.000 -0.000
-0.000 -0.000 -0.007 0.000 -0.000 0.003 -0.000 0.000
-0.012 -0.003 0.000 -0.000 -0.000 -0.000 0.000 0.000
-0.000 -0.000 -0.000 -0.000 0.007 0.000 0.000 -0.003
-0.000 -0.000 0.000 0.007 0.000 -0.000 -0.003 -0.000
total augmentation occupancy for first ion, spin component: 1
1.990 -0.109 -0.000 -0.000 -0.000 -0.000 -0.000 0.000 -0.000 0.000 -0.003 -0.000 0.000 0.000 0.000 0.004
-0.109 1.470 -0.000 0.000 0.000 -0.000 -0.000 0.000 -0.000 0.000 -0.091 0.000 -0.000 0.000 0.000 0.067
-0.000 -0.000 1.968 0.000 -0.000 -0.070 -0.000 -0.000 -0.000 0.029 -0.000 0.000 0.000 -0.000 -0.027 0.000
-0.000 0.000 0.000 1.968 -0.000 -0.000 -0.070 -0.000 0.000 -0.000 0.000 0.000 -0.029 0.000 0.000 -0.000
-0.000 0.000 -0.000 -0.000 1.968 -0.000 -0.000 -0.070 0.000 -0.000 0.000 -0.029 0.000 0.000 -0.000 -0.000
-0.000 -0.000 -0.070 -0.000 -0.000 0.195 -0.000 0.000 0.000 0.284 0.000 0.000 -0.000 -0.000 -0.183 -0.000
-0.000 -0.000 -0.000 -0.070 -0.000 -0.000 0.184 0.000 -0.000 -0.000 -0.000 -0.000 -0.214 0.000 0.000 0.000
0.000 0.000 -0.000 -0.000 -0.070 0.000 0.000 0.195 0.000 -0.000 0.000 -0.284 0.000 0.000 0.000 -0.000
-0.000 -0.000 -0.000 0.000 0.000 0.000 -0.000 0.000 2.205 -0.000 0.000 0.000 0.000 -1.178 0.000 0.000
0.000 0.000 0.029 -0.000 -0.000 0.284 0.000 -0.000 -0.000 2.810 0.000 0.000 -0.000 0.000 -1.660 0.000
-0.003 -0.091 -0.000 -0.000 0.000 0.000 0.000 0.000 0.000 0.000 7.392 0.000 -0.000 0.000 0.000 -4.641
-0.000 0.000 0.000 0.000 -0.029 0.000 -0.000 -0.284 0.000 0.000 0.000 2.810 -0.000 0.000 0.000 -0.000
0.000 -0.000 0.000 -0.029 0.000 -0.000 -0.214 0.000 0.000 -0.000 -0.000 -0.000 8.228 0.000 0.000 -0.000
0.000 0.000 -0.000 0.000 0.000 -0.000 0.000 0.000 -1.178 0.000 0.000 0.000 0.000 0.635 0.000 -0.000
0.000 0.000 -0.027 0.000 -0.000 -0.183 0.000 0.000 0.000 -1.660 0.000 0.000 0.000 0.000 0.999 0.000
0.004 0.067 0.000 -0.000 -0.000 -0.000 0.000 -0.000 0.000 0.000 -4.641 -0.000 -0.000 -0.000 0.000 2.975
-0.000 0.000 0.000 0.000 0.027 0.000 -0.000 0.183 0.000 0.000 -0.000 -1.660 0.000 0.000 0.000 0.000
-0.000 0.000 -0.000 0.026 0.000 -0.000 0.150 -0.000 0.000 0.000 -0.000 0.000 -5.262 -0.000 0.000 -0.000
total augmentation occupancy for first ion, spin component: 2
0.000 0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 0.000 -0.000 0.000 -0.000 -0.000 0.000 0.000 -0.000
0.000 -0.000 0.000 0.000 -0.000 0.000 0.000 0.000 -0.000 -0.000 -0.000 0.000 -0.000 0.000 0.000 0.000
-0.000 0.000 -0.000 0.000 -0.000 -0.000 -0.000 0.000 -0.000 0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000
-0.000 0.000 0.000 0.000 -0.000 0.000 0.000 -0.000 0.000 0.000 -0.000 -0.000 -0.000 -0.000 0.000 0.000
-0.000 -0.000 -0.000 -0.000 -0.000 -0.000 0.000 -0.000 -0.000 0.000 -0.000 -0.000 0.000 0.000 -0.000 0.000
-0.000 0.000 -0.000 0.000 -0.000 -0.000 0.000 0.000 0.000 0.000 0.000 -0.000 -0.000 -0.000 -0.000 -0.000
-0.000 0.000 -0.000 0.000 0.000 0.000 -0.000 -0.000 0.000 -0.000 0.000 -0.000 -0.000 -0.000 0.000 -0.000
-0.000 0.000 0.000 -0.000 -0.000 0.000 -0.000 -0.000 0.000 0.000 -0.000 -0.000 0.000 -0.000 -0.000 0.000
0.000 -0.000 -0.000 0.000 -0.000 0.000 0.000 0.000 0.000 0.000 -0.000 0.000 -0.000 -0.000 -0.000 0.000
-0.000 -0.000 0.000 0.000 0.000 0.000 -0.000 0.000 0.000 -0.000 0.000 -0.000 -0.000 -0.000 -0.000 0.000
0.000 -0.000 -0.000 -0.000 -0.000 0.000 0.000 -0.000 -0.000 0.000 -0.000 0.000 -0.000 0.000 0.000 0.000
-0.000 0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 0.000 -0.000 0.000 -0.000 -0.000 -0.000 0.000 -0.000
-0.000 -0.000 -0.000 -0.000 0.000 -0.000 -0.000 0.000 -0.000 -0.000 -0.000 -0.000 0.000 -0.000 0.000 0.000
0.000 0.000 -0.000 -0.000 0.000 -0.000 -0.000 -0.000 -0.000 -0.000 0.000 -0.000 -0.000 0.000 0.000 0.000
0.000 0.000 -0.000 0.000 -0.000 -0.000 0.000 -0.000 -0.000 -0.000 0.000 0.000 0.000 0.000 0.000 -0.000
-0.000 0.000 -0.000 0.000 0.000 -0.000 -0.000 0.000 0.000 0.000 0.000 -0.000 0.000 0.000 -0.000 -0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -0.000 0.000 -0.000 0.000 0.000
-0.000 -0.000 0.000 0.000 -0.000 0.000 0.000 -0.000 0.000 0.000 0.000 -0.000 -0.000 -0.000 -0.000 -0.000
------------------------ aborting loop because EDIFF is reached ----------------------------------------
CHARGE: cpu time 1.8042: real time 1.8045
FORLOC: cpu time 0.0273: real time 0.0273
FORNL : cpu time 19.8781: real time 19.8800
STRESS: cpu time 31.4252: real time 31.4286
FORCOR: cpu time 0.1770: real time 0.1790
FORHAR: cpu time 0.0355: real time 0.0355
MIXING: cpu time 0.0066: real time 0.0066
OFIELD: cpu time 0.0001: real time 0.0001
FORCE on cell =-STRESS in cart. coord. units (eV):
Direction XX YY ZZ XY YZ ZX
--------------------------------------------------------------------------------------
Alpha Z 1415.50362 1415.50362 1415.50362
Ewald -9817.50131 -9817.50131 -6690.78712 0.00000 0.00000 0.00000
Hartree 3209.11748 3209.11748 5289.10317 -0.00000 -0.00000 -0.00000
E(xc) -1975.62044 -1975.62044 -1974.59056 0.00000 0.00000 -0.00000
Local 208.30874 208.30874 -4972.64368 -0.00000 -0.00000 -0.00000
n-local -1265.30781 -1263.24136 -1264.53993 0.20417 0.11861 0.11081
augment 1164.58928 1164.58928 1160.83213 0.00000 0.00000 0.00000
Kinetic 7066.36847 7054.13692 7036.43733 -0.54137 -0.20697 -0.19811
Fock 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000
-------------------------------------------------------------------------------------
Total 0.3754853 0.3754853 -0.6850445 0.0000000 -0.0000000 0.0000000
in kB 1.0730132 1.0730132 -1.9576310 0.0000000 -0.0000000 0.0000000
external PRESSURE = 0.0627985 kB Pullay stress = 0.0000000 kB
VOLUME and BASIS-vectors are now :
-----------------------------------------------------------------------------
energy-cutoff : 550.00
volume of cell : 560.66
direct lattice vectors reciprocal lattice vectors
7.611788338 0.000000000 0.000000000 0.131375172 0.000000000 0.000000000
0.000000000 7.611788338 0.000000000 0.000000000 0.131375172 -0.000000000
0.000000000 0.000000000 9.676651352 0.000000000 0.000000000 0.103341535
length of vectors
7.611788338 7.611788338 9.676651352 0.131375172 0.131375172 0.103341535
FORCES acting on ions
electron-ion (+dipol) ewald-force non-local-force convergence-correction
-----------------------------------------------------------------------------------------------
0.259E-12 0.263E-11 -.247E-11 0.247E-13 0.549E-14 0.355E-13 -.271E-19 0.881E-19 0.867E-18 0.118E-12 0.128E-12 0.421E-12
0.323E-12 0.239E-12 0.940E-12 -.616E-13 -.782E-13 0.204E-13 -.678E-19 0.122E-18 -.260E-17 0.292E-12 -.204E-12 0.406E-12
-.727E-13 -.239E-12 -.129E-11 0.568E-13 0.142E-13 0.284E-13 0.217E-18 -.542E-19 0.117E-16 -.434E-12 0.459E-13 -.605E-12
-.417E-13 0.478E-12 0.122E-11 -.462E-13 -.108E-12 -.178E-14 0.745E-19 -.136E-19 -.117E-16 -.136E-12 -.431E-13 -.331E-12
0.929E-12 -.189E-10 -.153E-11 -.366E-13 -.647E-14 -.142E-13 -.610E-19 0.257E-18 0.143E-16 -.238E-12 0.999E-13 0.202E-12
0.902E-12 0.179E-12 -.251E-10 -.958E-13 0.462E-13 -.462E-13 -.122E-18 -.142E-18 -.347E-17 0.921E-13 -.167E-12 0.644E-12
0.616E-12 -.119E-12 -.686E-11 -.817E-13 -.497E-13 -.711E-14 -.474E-19 0.271E-19 0.130E-17 -.308E-12 -.567E-14 -.799E-12
0.564E-12 0.550E-11 -.110E-11 -.117E-12 0.493E-14 0.391E-13 0.149E-18 0.122E-18 -.126E-16 -.620E-13 -.410E-13 -.226E-13
0.250E-12 -.239E-11 -.291E-11 0.309E-13 -.846E-16 0.142E-12 -.271E-19 -.474E-19 -.867E-18 0.144E-12 0.199E-13 0.506E-12
0.303E-12 0.490E-11 0.305E-11 -.370E-13 0.915E-13 0.933E-13 0.203E-18 0.108E-18 -.911E-17 0.278E-12 -.182E-12 0.511E-12
-.768E-13 0.358E-12 -.127E-11 -.533E-13 -.284E-13 0.711E-14 0.678E-19 0.542E-19 -.260E-17 -.411E-12 -.548E-13 -.712E-12
-.140E-13 0.108E-11 0.125E-11 -.284E-13 0.113E-12 -.355E-13 0.149E-18 0.264E-18 0.139E-16 -.155E-12 -.162E-12 -.321E-12
0.932E-12 -.801E-11 -.470E-12 -.427E-13 0.107E-13 0.853E-13 0.339E-19 0.156E-18 -.186E-16 -.269E-12 -.801E-14 0.256E-12
0.908E-12 0.137E-11 -.115E-10 -.995E-13 0.764E-13 0.107E-13 -.881E-19 -.108E-18 0.130E-16 0.989E-13 -.178E-12 0.730E-12
0.631E-12 -.502E-11 -.446E-11 -.639E-13 0.497E-13 0.711E-14 0.474E-19 0.156E-18 0.520E-17 -.330E-12 -.209E-13 -.887E-12
0.537E-12 0.657E-11 -.423E-11 -.114E-12 0.283E-13 0.000E+00 -.813E-19 -.163E-18 0.911E-17 -.464E-13 -.169E-12 -.164E-13
-.421E-13 0.597E-13 -.971E+02 -.302E-13 -.212E-13 0.104E+03 -.216E-19 -.332E-18 -.668E+01 0.165E-12 0.160E-13 0.504E-05
0.106E-12 -.597E-13 -.971E+02 -.245E-13 -.886E-13 0.104E+03 0.407E-19 0.294E-20 -.668E+01 0.155E-12 0.201E-12 0.504E-05
0.110E-12 -.538E-12 0.971E+02 -.117E-13 0.364E-13 -.104E+03 0.142E-18 -.887E-20 0.668E+01 0.832E-13 -.713E-13 -.504E-05
0.176E-16 0.598E-13 0.971E+02 -.107E-13 -.622E-14 -.104E+03 0.360E-20 0.949E-19 0.668E+01 -.435E-13 -.693E-13 -.504E-05
0.486E-13 -.598E-13 -.971E+02 -.432E-13 -.249E-13 0.104E+03 -.529E-20 -.610E-19 -.668E+01 0.649E-13 -.526E-14 0.504E-05
-.163E-13 0.597E-12 -.971E+02 0.711E-14 -.782E-13 0.104E+03 0.203E-19 -.341E-20 -.668E+01 -.864E-13 0.160E-12 0.504E-05
-.378E-13 -.418E-12 0.971E+02 0.622E-14 0.435E-13 -.104E+03 0.203E-18 -.125E-20 0.668E+01 -.207E-12 0.446E-13 -.504E-05
0.916E-13 0.215E-11 0.971E+02 0.167E-13 -.411E-13 -.104E+03 0.106E-20 0.224E-18 0.668E+01 -.669E-13 -.343E-13 -.504E-05
0.218E-12 0.388E-11 -.971E+02 0.142E-13 -.198E-14 0.104E+03 -.339E-20 0.102E-18 -.668E+01 -.123E-12 0.103E-13 0.504E-05
0.369E-12 -.472E-11 -.971E+02 0.887E-14 -.453E-13 0.104E+03 0.474E-19 -.210E-22 -.668E+01 -.108E-13 0.223E-12 0.504E-05
0.379E-12 -.299E-12 0.971E+02 0.540E-14 0.355E-14 -.104E+03 -.339E-19 -.548E-20 0.668E+01 -.148E-12 -.378E-13 -.504E-05
0.196E-12 0.598E-13 0.971E+02 0.364E-13 -.151E-13 -.104E+03 0.110E-19 0.285E-18 0.668E+01 -.310E-12 -.882E-13 -.504E-05
0.189E-12 -.119E-12 -.971E+02 -.215E-13 -.231E-13 0.104E+03 -.271E-19 -.678E-19 -.668E+01 0.283E-12 -.198E-13 0.504E-05
0.299E-12 0.538E-12 -.971E+02 0.142E-13 -.142E-13 0.104E+03 -.129E-18 -.299E-20 -.668E+01 0.259E-13 0.975E-13 0.504E-05
0.318E-12 -.586E-11 0.971E+02 0.142E-13 -.234E-13 -.104E+03 -.610E-19 0.849E-20 0.668E+01 -.795E-13 0.786E-13 -.504E-05
0.204E-12 -.860E-11 0.971E+02 0.196E-13 -.844E-14 -.104E+03 0.150E-19 -.129E-18 0.668E+01 0.546E-13 -.427E-13 -.504E-05
-.279E-13 0.299E-12 -.971E+02 -.142E-13 -.240E-13 0.104E+03 -.373E-19 0.257E-18 -.668E+01 0.165E-12 -.706E-14 0.504E-05
0.112E-12 0.119E-11 -.971E+02 0.662E-14 0.754E-13 0.104E+03 0.108E-18 0.125E-20 -.668E+01 0.160E-12 0.377E-13 0.504E-05
0.117E-12 -.239E-12 0.971E+02 0.204E-13 -.799E-14 -.104E+03 -.271E-19 0.468E-20 0.668E+01 0.804E-13 -.426E-13 -.504E-05
-.455E-14 0.418E-12 0.971E+02 0.977E-14 -.266E-14 -.104E+03 -.108E-19 0.610E-19 0.668E+01 -.814E-13 -.666E-13 -.504E-05
0.636E-14 -.119E-12 -.971E+02 -.259E-13 -.195E-13 0.104E+03 -.131E-19 -.224E-18 -.668E+01 0.878E-13 -.218E-13 0.504E-05
-.229E-13 0.598E-12 -.971E+02 0.284E-13 0.142E-13 0.104E+03 -.678E-19 0.591E-20 -.668E+01 -.701E-13 -.376E-13 0.504E-05
-.376E-13 -.299E-12 0.971E+02 0.213E-13 -.444E-13 -.104E+03 0.136E-19 0.868E-21 0.668E+01 -.206E-12 -.671E-13 -.504E-05
0.459E-13 -.155E-11 0.971E+02 0.203E-13 0.213E-13 -.104E+03 0.199E-19 -.542E-19 0.668E+01 0.181E-14 -.740E-13 -.504E-05
0.199E-12 0.418E-11 -.971E+02 0.000E+00 -.705E-14 0.104E+03 0.119E-19 -.108E-18 -.668E+01 -.126E-12 -.158E-13 0.504E-05
0.359E-12 -.382E-11 -.971E+02 0.425E-13 0.808E-13 0.104E+03 -.129E-18 0.252E-20 -.668E+01 -.220E-13 -.112E-13 0.504E-05
0.373E-12 0.675E-11 0.971E+02 0.292E-13 -.142E-13 -.104E+03 0.169E-18 -.337E-20 0.668E+01 -.145E-12 -.241E-13 -.504E-05
0.202E-12 0.400E-11 0.971E+02 0.755E-13 0.169E-13 -.104E+03 0.152E-19 -.339E-19 0.668E+01 -.269E-12 -.634E-13 -.504E-05
0.224E-12 0.131E-11 -.971E+02 0.142E-13 0.124E-13 0.104E+03 -.275E-20 -.163E-18 -.668E+01 0.257E-12 -.382E-13 0.504E-05
0.288E-12 0.197E-11 -.971E+02 0.568E-13 0.000E+00 0.104E+03 0.176E-18 -.445E-21 -.668E+01 0.501E-14 0.438E-13 0.504E-05
0.317E-12 -.657E-12 0.971E+02 0.497E-13 0.142E-13 -.104E+03 -.217E-18 -.421E-20 0.668E+01 -.773E-13 -.791E-13 -.504E-05
0.241E-12 -.478E-12 0.971E+02 0.355E-13 0.354E-13 -.104E+03 0.720E-20 0.230E-18 0.668E+01 -.156E-13 -.562E-13 -.504E-05
-----------------------------------------------------------------------------------------------
0.118E-10 -.111E-10 -.958E-10 -.394E-12 0.128E-13 0.455E-12 0.641E-18 0.905E-18 0.711E-14 -.187E-11 -.100E-11 -.326E-12
POSITION TOTAL-FORCE (eV/Angst)
-----------------------------------------------------------------------------------
1.90295 1.90295 4.83833 -0.000000 -0.000000 -0.000000
1.90295 0.00000 7.25749 -0.000000 0.000000 -0.000000
-0.00000 -0.00000 0.00000 0.000000 -0.000000 -0.000000
-0.00000 1.90295 2.41916 -0.000000 -0.000000 -0.000000
5.70884 1.90295 4.83833 0.000000 0.000000 -0.000000
5.70884 0.00000 7.25749 -0.000000 -0.000000 -0.000000
3.80589 0.00000 0.00000 0.000000 0.000000 -0.000000
3.80589 1.90295 2.41916 0.000000 0.000000 -0.000000
1.90295 5.70884 4.83833 -0.000000 -0.000000 -0.000000
1.90295 3.80589 7.25749 0.000000 -0.000000 -0.000000
0.00000 3.80589 0.00000 0.000000 0.000000 -0.000000
-0.00000 5.70884 2.41916 -0.000000 -0.000000 -0.000000
5.70884 5.70884 4.83833 0.000000 0.000000 -0.000000
5.70884 3.80589 7.25749 -0.000000 -0.000000 -0.000000
3.80589 3.80589 0.00000 0.000000 -0.000000 -0.000000
3.80589 5.70884 2.41916 -0.000000 0.000000 -0.000000
0.00000 1.90295 4.42517 -0.000000 -0.000000 -0.058072
1.90295 1.90295 6.84433 -0.000000 -0.000000 -0.058072
1.90295 0.00000 5.25148 -0.000000 0.000000 0.058072
-0.00000 0.00000 7.67064 0.000000 0.000000 0.058072
1.90295 0.00000 9.26350 0.000000 -0.000000 -0.058072
-0.00000 0.00000 2.00601 0.000000 -0.000000 -0.058072
-0.00000 1.90295 0.41315 -0.000000 0.000000 0.058072
1.90295 1.90295 2.83232 -0.000000 0.000000 0.058072
3.80589 1.90295 4.42517 -0.000000 -0.000000 -0.058072
5.70884 1.90295 6.84433 0.000000 -0.000000 -0.058072
5.70884 0.00000 5.25148 0.000000 0.000000 0.058072
3.80589 0.00000 7.67064 -0.000000 0.000000 0.058072
5.70884 0.00000 9.26350 -0.000000 -0.000000 -0.058072
3.80589 0.00000 2.00601 0.000000 -0.000000 -0.058072
3.80589 1.90295 0.41315 0.000000 0.000000 0.058072
5.70884 1.90295 2.83232 -0.000000 0.000000 0.058072
0.00000 5.70884 4.42517 0.000000 -0.000000 -0.058072
1.90295 5.70884 6.84433 -0.000000 -0.000000 -0.058072
1.90295 3.80589 5.25148 0.000000 0.000000 0.058072
0.00000 3.80589 7.67064 0.000000 0.000000 0.058072
1.90295 3.80589 9.26350 -0.000000 -0.000000 -0.058072
0.00000 3.80589 2.00601 -0.000000 -0.000000 -0.058072
0.00000 5.70884 0.41315 0.000000 0.000000 0.058072
1.90295 5.70884 2.83232 -0.000000 0.000000 0.058072
3.80589 5.70884 4.42517 0.000000 -0.000000 -0.058072
5.70884 5.70884 6.84433 -0.000000 -0.000000 -0.058072
5.70884 3.80589 5.25148 0.000000 0.000000 0.058072
3.80589 3.80589 7.67064 0.000000 0.000000 0.058072
5.70884 3.80589 9.26350 0.000000 -0.000000 -0.058072
3.80589 3.80589 2.00601 -0.000000 -0.000000 -0.058072
3.80589 5.70884 0.41315 0.000000 0.000000 0.058072
5.70884 5.70884 2.83232 0.000000 0.000000 0.058072
-----------------------------------------------------------------------------------
total drift: 0.000000 -0.000000 -0.000000
--------------------------------------------------------------------------------------------------------
FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
---------------------------------------------------
free energy TOTEN = -430.8992098445 eV
energy without entropy= -430.8992098445 energy(sigma->0) = -430.89920984
d Force = 0.7397631E-02[ 0.332E-02, 0.115E-01] d Energy = 0.1954133E+00-0.188E+00
d Force =-0.5872940E+01[-0.593E+01,-0.581E+01] d Ewald = 0.1944666E+03-0.200E+03
--------------------------------------------------------------------------------------------------------
POTLOK: cpu time 0.7806: real time 0.7814
--------------------------------------------------------------------------------------------------------
--------------------------------------------------------------------------------------------------------
WAVPRE: cpu time 0.0316: real time 0.0332
FEWALD: cpu time 0.0018: real time 0.0034
GENKIN: cpu time 0.0480: real time 0.0480
ORTHCH: cpu time 4.1421: real time 4.1425
LOOP+: cpu time 812.6708: real time 812.9018
--------------------------------------- Iteration 4( 1) ---------------------------------------
POTLOK: cpu time 0.1881: real time 0.1923
SETDIJ: cpu time 0.5985: real time 0.5986
EDDAV: cpu time 57.6900: real time 57.6952
CHARGE: cpu time 1.8153: real time 1.8159
MIXING: cpu time 0.0181: real time 0.0181
--------------------------------------------
LOOP: cpu time 60.3101: real time 60.3202
eigenvalue-minimisations : 23856
total energy-change (2. order) :-0.7731586E-04 (-0.2321916E-03)
number of electron 383.9999999 magnetization 0.0000000
augmentation part 76.2675912 magnetization 0.0000090
free energy = -0.430899286782E+03 energy without entropy= -0.430899286782E+03
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 4( 2) ---------------------------------------
POTLOK: cpu time 0.1889: real time 0.1958
SETDIJ: cpu time 0.6012: real time 0.6013
EDDIAG: cpu time 8.8359: real time 8.8372
RMM-DIIS: cpu time 35.6406: real time 35.6646
ORTHCH: cpu time 1.9743: real time 1.9744
CHARGE: cpu time 1.8346: real time 1.8351
MIXING: cpu time 0.0146: real time 0.0146
--------------------------------------------
LOOP: cpu time 49.0901: real time 49.1231
eigenvalue-minimisations : 22531
total energy-change (2. order) : 0.6795572E-04 (-0.2288048E-04)
number of electron 383.9999999 magnetization 0.0000000
augmentation part 76.2724280 magnetization 0.0000024
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.4488
1.4488
free energy = -0.430899218826E+03 energy without entropy= -0.430899218826E+03
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 4( 3) ---------------------------------------
POTLOK: cpu time 0.1915: real time 0.1962
SETDIJ: cpu time 0.5971: real time 0.6040
EDDIAG: cpu time 8.8937: real time 8.8976
RMM-DIIS: cpu time 35.9715: real time 35.9749
ORTHCH: cpu time 1.9794: real time 1.9795
CHARGE: cpu time 1.8373: real time 1.8386
MIXING: cpu time 0.0173: real time 0.0173
--------------------------------------------
LOOP: cpu time 49.4878: real time 49.5082
eigenvalue-minimisations : 22746
total energy-change (2. order) : 0.7135692E-05 (-0.1170537E-04)
number of electron 383.9999999 magnetization 0.0000000
augmentation part 76.2719625 magnetization 0.0000053
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.0595
1.5033 0.6158
free energy = -0.430899211690E+03 energy without entropy= -0.430899211690E+03
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 4( 4) ---------------------------------------
POTLOK: cpu time 0.2254: real time 0.2345
SETDIJ: cpu time 0.6013: real time 0.6013
EDDIAG: cpu time 8.8160: real time 8.8194
RMM-DIIS: cpu time 34.0276: real time 34.0319
ORTHCH: cpu time 2.1265: real time 2.1267
CHARGE: cpu time 1.8292: real time 1.8298
MIXING: cpu time 0.0173: real time 0.0173
--------------------------------------------
LOOP: cpu time 47.6431: real time 47.6609
eigenvalue-minimisations : 21281
total energy-change (2. order) : 0.1444263E-05 (-0.1008693E-05)
number of electron 383.9999999 magnetization -0.0000000
augmentation part 76.2723648 magnetization 0.0000044
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.3448
1.7198 1.7198 0.5949
free energy = -0.430899210246E+03 energy without entropy= -0.430899210246E+03
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 4( 5) ---------------------------------------
POTLOK: cpu time 0.1816: real time 0.1819
SETDIJ: cpu time 0.5978: real time 0.5978
EDDIAG: cpu time 8.9021: real time 8.9029
RMM-DIIS: cpu time 30.2307: real time 30.2336
ORTHCH: cpu time 1.9733: real time 1.9734
CHARGE: cpu time 1.8340: real time 1.8345
MIXING: cpu time 0.0184: real time 0.0184
--------------------------------------------
LOOP: cpu time 43.7379: real time 43.7426
eigenvalue-minimisations : 18852
total energy-change (2. order) :-0.3494737E-05 (-0.6723568E-06)
number of electron 383.9999999 magnetization 0.0000000
augmentation part 76.2715130 magnetization 0.0000022
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.2102
1.6445 1.2557 1.2557 0.6849
free energy = -0.430899213741E+03 energy without entropy= -0.430899213741E+03
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 4( 6) ---------------------------------------
POTLOK: cpu time 0.1990: real time 0.2061
SETDIJ: cpu time 0.6050: real time 0.6051
EDDIAG: cpu time 8.9488: real time 8.9495
RMM-DIIS: cpu time 23.4136: real time 23.4157
ORTHCH: cpu time 1.9493: real time 1.9495
--------------------------------------------
LOOP: cpu time 35.1190: real time 35.1295
eigenvalue-minimisations : 14301
total energy-change (2. order) :-0.2549059E-06 (-0.2567787E-06)
number of electron 383.9999999 magnetization 0.0000000
augmentation part 76.2715130 magnetization 0.0000022
free energy = -0.430899213996E+03 energy without entropy= -0.430899213996E+03
--------------------------------------------------------------------------------------------------------
average (electrostatic) potential at core
the test charge radii are 1.0397 0.7215
(the norm of the test charge is 1.0000)
1 -77.4857 2 -77.4857 3 -77.4857 4 -77.4857 5 -77.4857
6 -77.4857 7 -77.4857 8 -77.4857 9 -77.4857 10 -77.4857
11 -77.4857 12 -77.4857 13 -77.4857 14 -77.4857 15 -77.4857
16 -77.4857 17 -70.5456 18 -70.5456 19 -70.5456 20 -70.5456
21 -70.5456 22 -70.5456 23 -70.5456 24 -70.5456 25 -70.5456
26 -70.5456 27 -70.5456 28 -70.5456 29 -70.5456 30 -70.5456
31 -70.5456 32 -70.5456 33 -70.5456 34 -70.5456 35 -70.5456
36 -70.5456 37 -70.5456 38 -70.5456 39 -70.5456 40 -70.5456
41 -70.5456 42 -70.5456 43 -70.5456 44 -70.5456 45 -70.5456
46 -70.5456 47 -70.5456 48 -70.5456
E-fermi : 3.4219 XC(G=0): -10.5907 alpha+bet :-12.2928
spin component 1
k-point 1 : 0.0833 0.0833 0.0833
band No. band energies occupation
1 -53.3418 1.00000
2 -53.3289 1.00000
3 -53.3289 1.00000
4 -53.3257 1.00000
5 -53.3257 1.00000
6 -53.3200 1.00000
7 -53.3160 1.00000
8 -53.3133 1.00000
9 -53.3131 1.00000
10 -53.3122 1.00000
11 -53.3093 1.00000
12 -53.3036 1.00000
13 -53.3036 1.00000
14 -53.3003 1.00000
15 -53.3003 1.00000
16 -53.2914 1.00000
17 -29.7655 1.00000
18 -29.7515 1.00000
19 -29.7515 1.00000
20 -29.7383 1.00000
21 -29.7383 1.00000
22 -29.7378 1.00000
23 -29.7279 1.00000
24 -29.7259 1.00000
25 -29.7169 1.00000
26 -29.6543 1.00000
27 -29.6543 1.00000
28 -29.6518 1.00000
29 -29.6518 1.00000
30 -29.6216 1.00000
31 -29.5983 1.00000
32 -29.5959 1.00000
33 -29.5934 1.00000
34 -29.5908 1.00000
35 -29.5859 1.00000
36 -29.5697 1.00000
37 -29.5608 1.00000
38 -29.5608 1.00000
39 -29.5604 1.00000
40 -29.5584 1.00000
41 -29.5584 1.00000
42 -29.5545 1.00000
43 -29.5525 1.00000
44 -29.5395 1.00000
45 -29.5395 1.00000
46 -29.5379 1.00000
47 -29.5379 1.00000
48 -29.4904 1.00000
49 -29.4888 1.00000
50 -29.4776 1.00000
51 -29.4776 1.00000
52 -29.4749 1.00000
53 -29.4749 1.00000
54 -29.4689 1.00000
55 -29.4689 1.00000
56 -29.4580 1.00000
57 -29.4511 1.00000
58 -29.4497 1.00000
59 -29.4421 1.00000
60 -29.4418 1.00000
61 -29.4418 1.00000
62 -29.4318 1.00000
63 -29.4318 1.00000
64 -29.4192 1.00000
65 -14.3858 1.00000
66 -13.9233 1.00000
67 -13.9041 1.00000
68 -13.9041 1.00000
69 -13.8532 1.00000
70 -13.8532 1.00000
71 -13.7857 1.00000
72 -13.3952 1.00000
73 -13.3191 1.00000
74 -13.2194 1.00000
75 -13.1901 1.00000
76 -13.1885 1.00000
77 -13.1885 1.00000
78 -13.1787 1.00000
79 -13.1787 1.00000
80 -13.1652 1.00000
81 -13.1229 1.00000
82 -13.1047 1.00000
83 -13.0399 1.00000
84 -13.0286 1.00000
85 -13.0286 1.00000
86 -12.9693 1.00000
87 -12.9693 1.00000
88 -12.9514 1.00000
89 -12.9175 1.00000
90 -12.9175 1.00000
91 -12.9095 1.00000
92 -12.9095 1.00000
93 -12.8334 1.00000
94 -12.8111 1.00000
95 -12.8058 1.00000
96 -12.7800 1.00000
97 -1.3397 1.00000
98 -1.3397 1.00000
99 -1.3136 1.00000
100 -1.2669 1.00000
101 -1.2602 1.00000
102 -1.1771 1.00000
103 -1.1771 1.00000
104 -1.1134 1.00000
105 -1.0537 1.00000
106 -1.0317 1.00000
107 -1.0317 1.00000
108 -0.8756 1.00000
109 -0.8281 1.00000
110 -0.7974 1.00000
111 -0.7861 1.00000
112 -0.7861 1.00000
113 -0.7058 1.00000
114 -0.6565 1.00000
115 -0.6372 1.00000
116 -0.6115 1.00000
117 -0.5976 1.00000
118 -0.5784 1.00000
119 -0.5784 1.00000
120 -0.5520 1.00000
121 -0.5520 1.00000
122 -0.5471 1.00000
123 -0.5471 1.00000
124 -0.5321 1.00000
125 -0.5321 1.00000
126 -0.5052 1.00000
127 -0.4914 1.00000
128 -0.4902 1.00000
129 -0.4577 1.00000
130 -0.4340 1.00000
131 -0.4295 1.00000
132 -0.2397 1.00000
133 0.0755 1.00000
134 0.0755 1.00000
135 0.1491 1.00000
136 0.1491 1.00000
137 0.4411 1.00000
138 0.4507 1.00000
139 0.4731 1.00000
140 0.4731 1.00000
141 0.5652 1.00000
142 0.6361 1.00000
143 0.7628 1.00000
144 0.7628 1.00000
145 0.9645 1.00000
146 0.9898 1.00000
147 0.9898 1.00000
148 1.0978 1.00000
149 1.0978 1.00000
150 1.1138 1.00000
151 1.1290 1.00000
152 1.1477 1.00000
153 1.1522 1.00000
154 1.1522 1.00000
155 1.1688 1.00000
156 1.1719 1.00000
157 1.2213 1.00000
158 1.2565 1.00000
159 1.2565 1.00000
160 1.2809 1.00000
161 1.4438 1.00000
162 1.8412 1.00000
163 1.8485 1.00000
164 1.8680 1.00000
165 1.8680 1.00000
166 1.8680 1.00000
167 1.9145 1.00000
168 1.9675 1.00000
169 1.9675 1.00000
170 2.1663 1.00000
171 2.1663 1.00000
172 2.2081 1.00000
173 2.2081 1.00000
174 2.2265 1.00000
175 2.2265 1.00000
176 2.2397 1.00000
177 2.2397 1.00000
178 2.2857 1.00000
179 2.2880 1.00000
180 2.3267 1.00000
181 2.3267 1.00000
182 2.3578 1.00000
183 2.3578 1.00000
184 2.3676 1.00000
185 2.6367 1.00000
186 2.7476 1.00000
187 2.9683 1.00000
188 2.9760 1.00000
189 3.0105 1.00000
190 3.0735 1.00000
191 3.0956 1.00000
192 3.1391 1.00000
193 5.3080 0.00000
194 5.5573 0.00000
195 5.6371 0.00000
196 5.9072 0.00000
197 6.2842 0.00000
198 6.3382 0.00000
199 6.3382 0.00000
200 6.3395 0.00000
201 6.3484 0.00000
202 6.3484 0.00000
203 6.3514 0.00000
204 6.4118 0.00000
205 6.4482 0.00000
206 6.4482 0.00000
207 6.4794 0.00000
208 6.4794 0.00000
209 6.5855 0.00000
210 6.5855 0.00000
211 6.6071 0.00000
212 6.6071 0.00000
213 6.6745 0.00000
214 6.6745 0.00000
215 6.7059 0.00000
216 6.7059 0.00000
217 6.7240 0.00000
218 6.7612 0.00000
219 6.7633 0.00000
220 6.7764 0.00000
221 6.7962 0.00000
222 6.8425 0.00000
223 6.9275 0.00000
224 6.9665 0.00000
225 7.0342 0.00000
226 7.0515 0.00000
227 7.2104 0.00000
228 7.2115 0.00000
229 7.2774 0.00000
230 7.2774 0.00000
231 7.3454 0.00000
232 7.3454 0.00000
233 7.4232 0.00000
234 7.4232 0.00000
235 7.4584 0.00000
236 7.4584 0.00000
237 7.8267 0.00000
238 7.8527 0.00000
239 7.8528 0.00000
240 7.8837 0.00000
241 7.9759 0.00000
242 8.0674 0.00000
243 8.1211 0.00000
244 8.2356 0.00000
245 8.3636 0.00000
246 8.3636 0.00000
247 8.3850 0.00000
248 8.3850 0.00000
249 8.3937 0.00000
250 8.7514 0.00000
251 8.9334 0.00000
252 9.0593 0.00000
253 9.0610 0.00000
254 9.0833 0.00000
255 9.1090 0.00000
256 9.2890 0.00000
k-point 2 : 0.2500 0.0833 0.0833
band No. band energies occupation
1 -53.3406 1.00000
2 -53.3323 1.00000
3 -53.3278 1.00000
4 -53.3246 1.00000
5 -53.3229 1.00000
6 -53.3197 1.00000
7 -53.3194 1.00000
8 -53.3162 1.00000
9 -53.3131 1.00000
10 -53.3096 1.00000
11 -53.3069 1.00000
12 -53.3064 1.00000
13 -53.3041 1.00000
14 -53.3009 1.00000
15 -53.2974 1.00000
16 -53.2920 1.00000
17 -29.7648 1.00000
18 -29.7585 1.00000
19 -29.7506 1.00000
20 -29.7439 1.00000
21 -29.7376 1.00000
22 -29.7323 1.00000
23 -29.7178 1.00000
24 -29.7104 1.00000
25 -29.7017 1.00000
26 -29.6603 1.00000
27 -29.6567 1.00000
28 -29.6471 1.00000
29 -29.6390 1.00000
30 -29.6356 1.00000
31 -29.6023 1.00000
32 -29.5973 1.00000
33 -29.5948 1.00000
34 -29.5854 1.00000
35 -29.5821 1.00000
36 -29.5695 1.00000
37 -29.5687 1.00000
38 -29.5686 1.00000
39 -29.5680 1.00000
40 -29.5634 1.00000
41 -29.5563 1.00000
42 -29.5532 1.00000
43 -29.5495 1.00000
44 -29.5460 1.00000
45 -29.5438 1.00000
46 -29.5393 1.00000
47 -29.5326 1.00000
48 -29.4976 1.00000
49 -29.4880 1.00000
50 -29.4806 1.00000
51 -29.4780 1.00000
52 -29.4745 1.00000
53 -29.4727 1.00000
54 -29.4692 1.00000
55 -29.4685 1.00000
56 -29.4657 1.00000
57 -29.4591 1.00000
58 -29.4518 1.00000
59 -29.4440 1.00000
60 -29.4400 1.00000
61 -29.4352 1.00000
62 -29.4301 1.00000
63 -29.4234 1.00000
64 -29.4172 1.00000
65 -14.3245 1.00000
66 -13.9859 1.00000
67 -13.8827 1.00000
68 -13.8292 1.00000
69 -13.8236 1.00000
70 -13.7713 1.00000
71 -13.7304 1.00000
72 -13.3592 1.00000
73 -13.3222 1.00000
74 -13.2923 1.00000
75 -13.2535 1.00000
76 -13.2113 1.00000
77 -13.2108 1.00000
78 -13.2019 1.00000
79 -13.1702 1.00000
80 -13.1431 1.00000
81 -13.1357 1.00000
82 -13.1330 1.00000
83 -13.0767 1.00000
84 -13.0575 1.00000
85 -13.0177 1.00000
86 -13.0161 1.00000
87 -12.9598 1.00000
88 -12.9347 1.00000
89 -12.9264 1.00000
90 -12.9099 1.00000
91 -12.8991 1.00000
92 -12.8749 1.00000
93 -12.8632 1.00000
94 -12.8459 1.00000
95 -12.8268 1.00000
96 -12.7866 1.00000
97 -1.4685 1.00000
98 -1.4185 1.00000
99 -1.3971 1.00000
100 -1.3458 1.00000
101 -1.3318 1.00000
102 -1.2792 1.00000
103 -1.1889 1.00000
104 -1.1348 1.00000
105 -1.0342 1.00000
106 -1.0305 1.00000
107 -0.8754 1.00000
108 -0.8575 1.00000
109 -0.8516 1.00000
110 -0.8053 1.00000
111 -0.7941 1.00000
112 -0.7780 1.00000
113 -0.7208 1.00000
114 -0.7153 1.00000
115 -0.6519 1.00000
116 -0.6440 1.00000
117 -0.6346 1.00000
118 -0.5893 1.00000
119 -0.5799 1.00000
120 -0.5697 1.00000
121 -0.5529 1.00000
122 -0.5364 1.00000
123 -0.4938 1.00000
124 -0.3984 1.00000
125 -0.3918 1.00000
126 -0.3805 1.00000
127 -0.3717 1.00000
128 -0.2832 1.00000
129 -0.2302 1.00000
130 -0.2120 1.00000
131 -0.1452 1.00000
132 -0.1426 1.00000
133 0.0638 1.00000
134 0.0854 1.00000
135 0.0941 1.00000
136 0.1362 1.00000
137 0.3067 1.00000
138 0.3359 1.00000
139 0.3866 1.00000
140 0.4713 1.00000
141 0.5863 1.00000
142 0.6552 1.00000
143 0.7342 1.00000
144 0.7533 1.00000
145 0.8563 1.00000
146 0.8956 1.00000
147 0.9398 1.00000
148 0.9502 1.00000
149 0.9518 1.00000
150 1.0224 1.00000
151 1.0348 1.00000
152 1.0512 1.00000
153 1.0918 1.00000
154 1.0952 1.00000
155 1.1416 1.00000
156 1.1742 1.00000
157 1.2806 1.00000
158 1.3523 1.00000
159 1.4313 1.00000
160 1.6058 1.00000
161 1.6258 1.00000
162 1.7281 1.00000
163 1.7566 1.00000
164 1.8321 1.00000
165 1.8709 1.00000
166 1.8830 1.00000
167 1.8894 1.00000
168 1.9485 1.00000
169 2.0302 1.00000
170 2.1151 1.00000
171 2.1376 1.00000
172 2.1815 1.00000
173 2.2264 1.00000
174 2.2337 1.00000
175 2.2586 1.00000
176 2.2782 1.00000
177 2.3187 1.00000
178 2.3438 1.00000
179 2.3642 1.00000
180 2.3846 1.00000
181 2.4161 1.00000
182 2.4162 1.00000
183 2.4716 1.00000
184 2.5027 1.00000
185 2.5450 1.00000
186 2.7660 1.00000
187 2.7835 1.00000
188 2.8032 1.00000
189 2.8786 1.00000
190 2.9693 1.00000
191 3.0910 1.00000
192 3.1254 1.00000
193 5.5900 0.00000
194 5.6746 0.00000
195 5.8608 0.00000
196 5.9596 0.00000
197 6.1787 0.00000
198 6.2083 0.00000
199 6.2183 0.00000
200 6.2518 0.00000
201 6.2642 0.00000
202 6.2690 0.00000
203 6.2848 0.00000
204 6.3475 0.00000
205 6.3620 0.00000
206 6.4279 0.00000
207 6.4434 0.00000
208 6.4523 0.00000
209 6.5756 0.00000
210 6.5792 0.00000
211 6.6089 0.00000
212 6.6151 0.00000
213 6.6165 0.00000
214 6.6170 0.00000
215 6.6173 0.00000
216 6.6297 0.00000
217 6.6751 0.00000
218 6.6774 0.00000
219 6.7334 0.00000
220 6.7522 0.00000
221 6.7743 0.00000
222 6.7968 0.00000
223 6.8035 0.00000
224 6.8082 0.00000
225 6.8430 0.00000
226 6.9638 0.00000
227 7.0596 0.00000
228 7.1040 0.00000
229 7.1162 0.00000
230 7.2170 0.00000
231 7.2601 0.00000
232 7.3039 0.00000
233 7.3700 0.00000
234 7.4418 0.00000
235 7.4480 0.00000
236 7.4530 0.00000
237 7.6901 0.00000
238 7.7130 0.00000
239 7.7730 0.00000
240 7.8098 0.00000
241 8.0808 0.00000
242 8.2274 0.00000
243 8.3029 0.00000
244 8.3578 0.00000
245 8.4174 0.00000
246 8.4640 0.00000
247 8.5925 0.00000
248 8.6002 0.00000
249 8.7127 0.00000
250 8.8549 0.00000
251 8.9936 0.00000
252 9.0055 0.00000
253 9.1198 0.00000
254 9.1713 0.00000
255 9.1866 0.00000
256 9.2233 0.00000
k-point 3 : 0.4167 0.0833 0.0833
band No. band energies occupation
1 -53.3385 1.00000
2 -53.3357 1.00000
3 -53.3257 1.00000
4 -53.3228 1.00000
5 -53.3224 1.00000
6 -53.3209 1.00000
7 -53.3198 1.00000
8 -53.3196 1.00000
9 -53.3120 1.00000
10 -53.3098 1.00000
11 -53.3072 1.00000
12 -53.3054 1.00000
13 -53.3040 1.00000
14 -53.3021 1.00000
15 -53.2950 1.00000
16 -53.2932 1.00000
17 -29.7636 1.00000
18 -29.7618 1.00000
19 -29.7492 1.00000
20 -29.7471 1.00000
21 -29.7364 1.00000
22 -29.7349 1.00000
23 -29.6910 1.00000
24 -29.6910 1.00000
25 -29.6837 1.00000
26 -29.6729 1.00000
27 -29.6675 1.00000
28 -29.6615 1.00000
29 -29.6334 1.00000
30 -29.6177 1.00000
31 -29.6177 1.00000
32 -29.5922 1.00000
33 -29.5917 1.00000
34 -29.5901 1.00000
35 -29.5812 1.00000
36 -29.5811 1.00000
37 -29.5726 1.00000
38 -29.5693 1.00000
39 -29.5676 1.00000
40 -29.5658 1.00000
41 -29.5580 1.00000
42 -29.5552 1.00000
43 -29.5548 1.00000
44 -29.5538 1.00000
45 -29.5424 1.00000
46 -29.5396 1.00000
47 -29.5227 1.00000
48 -29.5099 1.00000
49 -29.4861 1.00000
50 -29.4835 1.00000
51 -29.4766 1.00000
52 -29.4723 1.00000
53 -29.4719 1.00000
54 -29.4709 1.00000
55 -29.4698 1.00000
56 -29.4666 1.00000
57 -29.4661 1.00000
58 -29.4603 1.00000
59 -29.4400 1.00000
60 -29.4388 1.00000
61 -29.4307 1.00000
62 -29.4291 1.00000
63 -29.4180 1.00000
64 -29.4160 1.00000
65 -14.2186 1.00000
66 -14.0962 1.00000
67 -13.8452 1.00000
68 -13.8275 1.00000
69 -13.6782 1.00000
70 -13.6225 1.00000
71 -13.5982 1.00000
72 -13.4976 1.00000
73 -13.4364 1.00000
74 -13.4092 1.00000
75 -13.3034 1.00000
76 -13.2499 1.00000
77 -13.2376 1.00000
78 -13.1884 1.00000
79 -13.1795 1.00000
80 -13.1557 1.00000
81 -13.0817 1.00000
82 -13.0769 1.00000
83 -13.0674 1.00000
84 -13.0669 1.00000
85 -13.0287 1.00000
86 -12.9856 1.00000
87 -12.9754 1.00000
88 -12.9406 1.00000
89 -12.9119 1.00000
90 -12.9039 1.00000
91 -12.8953 1.00000
92 -12.8951 1.00000
93 -12.8737 1.00000
94 -12.8733 1.00000
95 -12.8711 1.00000
96 -12.8289 1.00000
97 -1.4027 1.00000
98 -1.3781 1.00000
99 -1.3420 1.00000
100 -1.3182 1.00000
101 -1.3136 1.00000
102 -1.2973 1.00000
103 -1.2462 1.00000
104 -1.1793 1.00000
105 -1.1228 1.00000
106 -1.1222 1.00000
107 -1.1116 1.00000
108 -1.0393 1.00000
109 -1.0321 1.00000
110 -1.0122 1.00000
111 -0.7734 1.00000
112 -0.7590 1.00000
113 -0.7511 1.00000
114 -0.7318 1.00000
115 -0.6177 1.00000
116 -0.6057 1.00000
117 -0.5999 1.00000
118 -0.5948 1.00000
119 -0.5874 1.00000
120 -0.5676 1.00000
121 -0.5657 1.00000
122 -0.5473 1.00000
123 -0.4336 1.00000
124 -0.3956 1.00000
125 -0.2813 1.00000
126 -0.2136 1.00000
127 -0.2127 1.00000
128 -0.1204 1.00000
129 -0.1185 1.00000
130 -0.0076 1.00000
131 0.1090 1.00000
132 0.1220 1.00000
133 0.1703 1.00000
134 0.1883 1.00000
135 0.2250 1.00000
136 0.3734 1.00000
137 0.3792 1.00000
138 0.4547 1.00000
139 0.5315 1.00000
140 0.5496 1.00000
141 0.5600 1.00000
142 0.6216 1.00000
143 0.6262 1.00000
144 0.6784 1.00000
145 0.7378 1.00000
146 0.7518 1.00000
147 0.8214 1.00000
148 0.9022 1.00000
149 0.9095 1.00000
150 0.9595 1.00000
151 1.0228 1.00000
152 1.0406 1.00000
153 1.0413 1.00000
154 1.0505 1.00000
155 1.1017 1.00000
156 1.1421 1.00000
157 1.2233 1.00000
158 1.2710 1.00000
159 1.2917 1.00000
160 1.2990 1.00000
161 1.6153 1.00000
162 1.6282 1.00000
163 1.6828 1.00000
164 1.7342 1.00000
165 1.7562 1.00000
166 1.8939 1.00000
167 1.9159 1.00000
168 1.9532 1.00000
169 2.0027 1.00000
170 2.0760 1.00000
171 2.1656 1.00000
172 2.2472 1.00000
173 2.2566 1.00000
174 2.2740 1.00000
175 2.3068 1.00000
176 2.3712 1.00000
177 2.3715 1.00000
178 2.4402 1.00000
179 2.4492 1.00000
180 2.4633 1.00000
181 2.5407 1.00000
182 2.5637 1.00000
183 2.5899 1.00000
184 2.5918 1.00000
185 2.6318 1.00000
186 2.6913 1.00000
187 2.7431 1.00000
188 2.7810 1.00000
189 2.8026 1.00000
190 2.8114 1.00000
191 2.9942 1.00000
192 3.0203 1.00000
193 5.8216 0.00000
194 5.9896 0.00000
195 5.9978 0.00000
196 6.0658 0.00000
197 6.1359 0.00000
198 6.1433 0.00000
199 6.1447 0.00000
200 6.1861 0.00000
201 6.1962 0.00000
202 6.2256 0.00000
203 6.2304 0.00000
204 6.2646 0.00000
205 6.2900 0.00000
206 6.3257 0.00000
207 6.3430 0.00000
208 6.3648 0.00000
209 6.3819 0.00000
210 6.4126 0.00000
211 6.4912 0.00000
212 6.5329 0.00000
213 6.5335 0.00000
214 6.5847 0.00000
215 6.5929 0.00000
216 6.6127 0.00000
217 6.6136 0.00000
218 6.6136 0.00000
219 6.6414 0.00000
220 6.6662 0.00000
221 6.7391 0.00000
222 6.7772 0.00000
223 6.7864 0.00000
224 6.8062 0.00000
225 6.8198 0.00000
226 6.8241 0.00000
227 6.9265 0.00000
228 6.9356 0.00000
229 7.2144 0.00000
230 7.2953 0.00000
231 7.3345 0.00000
232 7.3399 0.00000
233 7.3435 0.00000
234 7.4108 0.00000
235 7.4718 0.00000
236 7.4855 0.00000
237 7.5113 0.00000
238 7.5284 0.00000
239 7.6272 0.00000
240 7.6714 0.00000
241 8.1533 0.00000
242 8.2275 0.00000
243 8.2625 0.00000
244 8.3071 0.00000
245 8.7063 0.00000
246 8.7266 0.00000
247 8.7973 0.00000
248 8.8261 0.00000
249 8.8646 0.00000
250 8.8913 0.00000
251 8.9474 0.00000
252 8.9602 0.00000
253 9.0035 0.00000
254 9.0696 0.00000
255 9.0716 0.00000
256 9.3516 0.00000
k-point 4 : 0.2500 0.2500 0.0833
band No. band energies occupation
1 -53.3395 1.00000
2 -53.3312 1.00000
3 -53.3312 1.00000
4 -53.3229 1.00000
5 -53.3218 1.00000
6 -53.3218 1.00000
7 -53.3192 1.00000
8 -53.3145 1.00000
9 -53.3130 1.00000
10 -53.3119 1.00000
11 -53.3074 1.00000
12 -53.3074 1.00000
13 -53.3035 1.00000
14 -53.2980 1.00000
15 -53.2980 1.00000
16 -53.2926 1.00000
17 -29.7641 1.00000
18 -29.7576 1.00000
19 -29.7576 1.00000
20 -29.7505 1.00000
21 -29.7176 1.00000
22 -29.7174 1.00000
23 -29.7174 1.00000
24 -29.7114 1.00000
25 -29.6872 1.00000
26 -29.6551 1.00000
27 -29.6551 1.00000
28 -29.6434 1.00000
29 -29.6434 1.00000
30 -29.6427 1.00000
31 -29.6188 1.00000
32 -29.5960 1.00000
33 -29.5900 1.00000
34 -29.5826 1.00000
35 -29.5765 1.00000
36 -29.5739 1.00000
37 -29.5702 1.00000
38 -29.5702 1.00000
39 -29.5663 1.00000
40 -29.5663 1.00000
41 -29.5654 1.00000
42 -29.5600 1.00000
43 -29.5483 1.00000
44 -29.5460 1.00000
45 -29.5460 1.00000
46 -29.5378 1.00000
47 -29.5378 1.00000
48 -29.5029 1.00000
49 -29.4892 1.00000
50 -29.4817 1.00000
51 -29.4817 1.00000
52 -29.4725 1.00000
53 -29.4716 1.00000
54 -29.4716 1.00000
55 -29.4688 1.00000
56 -29.4679 1.00000
57 -29.4552 1.00000
58 -29.4516 1.00000
59 -29.4500 1.00000
60 -29.4500 1.00000
61 -29.4278 1.00000
62 -29.4219 1.00000
63 -29.4219 1.00000
64 -29.4154 1.00000
65 -14.2611 1.00000
66 -13.9084 1.00000
67 -13.9084 1.00000
68 -13.8234 1.00000
69 -13.7465 1.00000
70 -13.7465 1.00000
71 -13.6934 1.00000
72 -13.4400 1.00000
73 -13.3214 1.00000
74 -13.2675 1.00000
75 -13.2429 1.00000
76 -13.1943 1.00000
77 -13.1943 1.00000
78 -13.1878 1.00000
79 -13.1707 1.00000
80 -13.1664 1.00000
81 -13.1664 1.00000
82 -13.1302 1.00000
83 -13.1302 1.00000
84 -13.1198 1.00000
85 -13.0455 1.00000
86 -13.0455 1.00000
87 -13.0093 1.00000
88 -12.9292 1.00000
89 -12.9199 1.00000
90 -12.9199 1.00000
91 -12.9195 1.00000
92 -12.8749 1.00000
93 -12.8568 1.00000
94 -12.8527 1.00000
95 -12.8527 1.00000
96 -12.7751 1.00000
97 -1.4776 1.00000
98 -1.4602 1.00000
99 -1.4602 1.00000
100 -1.4165 1.00000
101 -1.3995 1.00000
102 -1.3562 1.00000
103 -1.3562 1.00000
104 -1.2220 1.00000
105 -0.9403 1.00000
106 -0.9105 1.00000
107 -0.8796 1.00000
108 -0.8449 1.00000
109 -0.8136 1.00000
110 -0.8136 1.00000
111 -0.8043 1.00000
112 -0.8043 1.00000
113 -0.7897 1.00000
114 -0.7897 1.00000
115 -0.7830 1.00000
116 -0.7259 1.00000
117 -0.5234 1.00000
118 -0.4787 1.00000
119 -0.4787 1.00000
120 -0.4559 1.00000
121 -0.3676 1.00000
122 -0.3676 1.00000
123 -0.3470 1.00000
124 -0.3339 1.00000
125 -0.3104 1.00000
126 -0.2117 1.00000
127 -0.2021 1.00000
128 -0.2021 1.00000
129 -0.1479 1.00000
130 -0.1465 1.00000
131 -0.0893 1.00000
132 -0.0858 1.00000
133 0.0806 1.00000
134 0.0806 1.00000
135 0.1149 1.00000
136 0.1149 1.00000
137 0.2434 1.00000
138 0.3192 1.00000
139 0.3192 1.00000
140 0.3912 1.00000
141 0.4380 1.00000
142 0.4616 1.00000
143 0.7040 1.00000
144 0.7040 1.00000
145 0.8085 1.00000
146 0.8085 1.00000
147 0.8481 1.00000
148 0.8608 1.00000
149 0.9506 1.00000
150 1.0069 1.00000
151 1.0069 1.00000
152 1.0402 1.00000
153 1.1154 1.00000
154 1.1154 1.00000
155 1.2413 1.00000
156 1.3411 1.00000
157 1.3685 1.00000
158 1.3685 1.00000
159 1.4012 1.00000
160 1.5842 1.00000
161 1.6074 1.00000
162 1.6375 1.00000
163 1.8363 1.00000
164 1.8363 1.00000
165 1.9399 1.00000
166 1.9399 1.00000
167 1.9818 1.00000
168 1.9900 1.00000
169 2.0175 1.00000
170 2.0449 1.00000
171 2.0449 1.00000
172 2.1123 1.00000
173 2.1123 1.00000
174 2.1164 1.00000
175 2.1193 1.00000
176 2.2201 1.00000
177 2.3844 1.00000
178 2.3844 1.00000
179 2.4362 1.00000
180 2.4806 1.00000
181 2.4806 1.00000
182 2.5504 1.00000
183 2.5504 1.00000
184 2.6188 1.00000
185 2.6351 1.00000
186 2.6351 1.00000
187 2.6756 1.00000
188 2.7378 1.00000
189 2.8681 1.00000
190 2.9705 1.00000
191 3.0375 1.00000
192 3.1090 1.00000
193 5.8138 0.00000
194 5.8734 0.00000
195 5.9020 0.00000
196 5.9749 0.00000
197 6.1396 0.00000
198 6.1443 0.00000
199 6.1443 0.00000
200 6.1708 0.00000
201 6.1708 0.00000
202 6.2661 0.00000
203 6.2932 0.00000
204 6.2932 0.00000
205 6.3062 0.00000
206 6.3379 0.00000
207 6.3379 0.00000
208 6.4763 0.00000
209 6.4834 0.00000
210 6.4865 0.00000
211 6.5753 0.00000
212 6.5753 0.00000
213 6.5881 0.00000
214 6.5937 0.00000
215 6.5937 0.00000
216 6.6138 0.00000
217 6.6564 0.00000
218 6.6730 0.00000
219 6.6730 0.00000
220 6.7045 0.00000
221 6.7391 0.00000
222 6.7391 0.00000
223 6.7767 0.00000
224 6.8271 0.00000
225 6.8300 0.00000
226 6.8854 0.00000
227 6.8893 0.00000
228 7.0025 0.00000
229 7.0025 0.00000
230 7.0105 0.00000
231 7.1554 0.00000
232 7.1554 0.00000
233 7.2723 0.00000
234 7.2723 0.00000
235 7.4021 0.00000
236 7.4021 0.00000
237 7.5496 0.00000
238 7.6244 0.00000
239 7.6252 0.00000
240 7.7388 0.00000
241 8.3546 0.00000
242 8.3737 0.00000
243 8.5141 0.00000
244 8.5451 0.00000
245 8.5451 0.00000
246 8.5702 0.00000
247 8.5702 0.00000
248 8.7906 0.00000
249 8.9117 0.00000
250 9.0004 0.00000
251 9.0820 0.00000
252 9.0822 0.00000
253 9.1357 0.00000
254 9.1878 0.00000
255 9.2584 0.00000
256 9.3178 0.00000
k-point 5 : 0.4167 0.2500 0.0833
band No. band energies occupation
1 -53.3374 1.00000
2 -53.3345 1.00000
3 -53.3291 1.00000
4 -53.3262 1.00000
5 -53.3198 1.00000
6 -53.3197 1.00000
7 -53.3190 1.00000
8 -53.3169 1.00000
9 -53.3123 1.00000
10 -53.3104 1.00000
11 -53.3103 1.00000
12 -53.3086 1.00000
13 -53.3010 1.00000
14 -53.2992 1.00000
15 -53.2956 1.00000
16 -53.2938 1.00000
17 -29.7628 1.00000
18 -29.7610 1.00000
19 -29.7561 1.00000
20 -29.7540 1.00000
21 -29.7169 1.00000
22 -29.7165 1.00000
23 -29.6922 1.00000
24 -29.6912 1.00000
25 -29.6710 1.00000
26 -29.6694 1.00000
27 -29.6633 1.00000
28 -29.6535 1.00000
29 -29.6448 1.00000
30 -29.6332 1.00000
31 -29.6221 1.00000
32 -29.5973 1.00000
33 -29.5905 1.00000
34 -29.5853 1.00000
35 -29.5799 1.00000
36 -29.5787 1.00000
37 -29.5720 1.00000
38 -29.5693 1.00000
39 -29.5668 1.00000
40 -29.5647 1.00000
41 -29.5632 1.00000
42 -29.5617 1.00000
43 -29.5581 1.00000
44 -29.5483 1.00000
45 -29.5464 1.00000
46 -29.5457 1.00000
47 -29.5274 1.00000
48 -29.5144 1.00000
49 -29.4880 1.00000
50 -29.4852 1.00000
51 -29.4813 1.00000
52 -29.4781 1.00000
53 -29.4696 1.00000
54 -29.4687 1.00000
55 -29.4682 1.00000
56 -29.4650 1.00000
57 -29.4621 1.00000
58 -29.4588 1.00000
59 -29.4495 1.00000
60 -29.4487 1.00000
61 -29.4229 1.00000
62 -29.4211 1.00000
63 -29.4164 1.00000
64 -29.4144 1.00000
65 -14.1509 1.00000
66 -14.0233 1.00000
67 -13.7694 1.00000
68 -13.7666 1.00000
69 -13.7448 1.00000
70 -13.6000 1.00000
71 -13.5963 1.00000
72 -13.5807 1.00000
73 -13.4084 1.00000
74 -13.3959 1.00000
75 -13.2625 1.00000
76 -13.2167 1.00000
77 -13.2064 1.00000
78 -13.1931 1.00000
79 -13.1903 1.00000
80 -13.1466 1.00000
81 -13.1396 1.00000
82 -13.1360 1.00000
83 -13.0979 1.00000
84 -13.0613 1.00000
85 -13.0407 1.00000
86 -13.0389 1.00000
87 -13.0207 1.00000
88 -12.9812 1.00000
89 -12.9800 1.00000
90 -12.9416 1.00000
91 -12.9074 1.00000
92 -12.8910 1.00000
93 -12.8884 1.00000
94 -12.8600 1.00000
95 -12.8304 1.00000
96 -12.7984 1.00000
97 -1.4567 1.00000
98 -1.4455 1.00000
99 -1.4283 1.00000
100 -1.3943 1.00000
101 -1.3895 1.00000
102 -1.3426 1.00000
103 -1.3248 1.00000
104 -1.1901 1.00000
105 -1.1703 1.00000
106 -1.1387 1.00000
107 -1.1180 1.00000
108 -1.0460 1.00000
109 -0.8972 1.00000
110 -0.8507 1.00000
111 -0.8403 1.00000
112 -0.8187 1.00000
113 -0.8101 1.00000
114 -0.8019 1.00000
115 -0.7690 1.00000
116 -0.7453 1.00000
117 -0.4626 1.00000
118 -0.4605 1.00000
119 -0.3994 1.00000
120 -0.3503 1.00000
121 -0.3125 1.00000
122 -0.2565 1.00000
123 -0.2562 1.00000
124 -0.2403 1.00000
125 -0.1979 1.00000
126 -0.1799 1.00000
127 -0.1653 1.00000
128 -0.1210 1.00000
129 -0.0841 1.00000
130 0.0646 1.00000
131 0.1200 1.00000
132 0.1467 1.00000
133 0.1571 1.00000
134 0.1744 1.00000
135 0.2512 1.00000
136 0.3551 1.00000
137 0.3789 1.00000
138 0.4214 1.00000
139 0.4292 1.00000
140 0.5048 1.00000
141 0.5048 1.00000
142 0.5385 1.00000
143 0.5451 1.00000
144 0.6238 1.00000
145 0.6421 1.00000
146 0.6531 1.00000
147 0.6836 1.00000
148 0.7474 1.00000
149 0.8331 1.00000
150 0.8375 1.00000
151 1.0882 1.00000
152 1.1407 1.00000
153 1.1485 1.00000
154 1.1585 1.00000
155 1.1673 1.00000
156 1.2313 1.00000
157 1.2837 1.00000
158 1.3464 1.00000
159 1.3708 1.00000
160 1.4265 1.00000
161 1.5002 1.00000
162 1.5331 1.00000
163 1.6026 1.00000
164 1.6757 1.00000
165 1.7779 1.00000
166 1.7936 1.00000
167 1.8772 1.00000
168 2.0279 1.00000
169 2.0401 1.00000
170 2.0625 1.00000
171 2.1061 1.00000
172 2.1167 1.00000
173 2.1245 1.00000
174 2.2502 1.00000
175 2.2919 1.00000
176 2.2971 1.00000
177 2.4272 1.00000
178 2.4553 1.00000
179 2.4741 1.00000
180 2.4939 1.00000
181 2.5142 1.00000
182 2.5507 1.00000
183 2.5948 1.00000
184 2.6373 1.00000
185 2.6762 1.00000
186 2.7691 1.00000
187 2.7749 1.00000
188 2.8502 1.00000
189 2.8536 1.00000
190 2.8724 1.00000
191 2.9580 1.00000
192 3.0203 1.00000
193 5.9557 0.00000
194 6.0099 0.00000
195 6.0563 0.00000
196 6.0700 0.00000
197 6.0738 0.00000
198 6.0826 0.00000
199 6.1420 0.00000
200 6.1663 0.00000
201 6.1697 0.00000
202 6.2030 0.00000
203 6.2189 0.00000
204 6.2446 0.00000
205 6.2529 0.00000
206 6.2558 0.00000
207 6.2670 0.00000
208 6.2969 0.00000
209 6.3148 0.00000
210 6.5045 0.00000
211 6.5182 0.00000
212 6.5272 0.00000
213 6.5336 0.00000
214 6.5694 0.00000
215 6.5735 0.00000
216 6.5840 0.00000
217 6.6108 0.00000
218 6.6256 0.00000
219 6.6762 0.00000
220 6.6763 0.00000
221 6.6773 0.00000
222 6.7015 0.00000
223 6.7066 0.00000
224 6.7548 0.00000
225 6.7717 0.00000
226 6.7721 0.00000
227 6.7980 0.00000
228 6.8544 0.00000
229 7.0128 0.00000
230 7.1134 0.00000
231 7.1138 0.00000
232 7.1566 0.00000
233 7.2562 0.00000
234 7.2715 0.00000
235 7.2901 0.00000
236 7.3313 0.00000
237 7.4169 0.00000
238 7.4640 0.00000
239 7.4657 0.00000
240 7.6021 0.00000
241 8.4261 0.00000
242 8.4632 0.00000
243 8.4831 0.00000
244 8.5198 0.00000
245 8.7263 0.00000
246 8.7429 0.00000
247 8.8077 0.00000
248 8.8675 0.00000
249 8.9140 0.00000
250 8.9836 0.00000
251 9.1041 0.00000
252 9.1370 0.00000
253 9.1981 0.00000
254 9.2118 0.00000
255 9.2945 0.00000
256 9.3470 0.00000
k-point 6 : 0.4167 0.4167 0.0833
band No. band energies occupation
1 -53.3353 1.00000
2 -53.3324 1.00000
3 -53.3324 1.00000
4 -53.3295 1.00000
5 -53.3179 1.00000
6 -53.3179 1.00000
7 -53.3178 1.00000
8 -53.3161 1.00000
9 -53.3125 1.00000
10 -53.3121 1.00000
11 -53.3113 1.00000
12 -53.3113 1.00000
13 -53.2986 1.00000
14 -53.2968 1.00000
15 -53.2968 1.00000
16 -53.2950 1.00000
17 -29.7614 1.00000
18 -29.7595 1.00000
19 -29.7595 1.00000
20 -29.7574 1.00000
21 -29.6973 1.00000
22 -29.6923 1.00000
23 -29.6923 1.00000
24 -29.6863 1.00000
25 -29.6706 1.00000
26 -29.6650 1.00000
27 -29.6650 1.00000
28 -29.6540 1.00000
29 -29.6506 1.00000
30 -29.6330 1.00000
31 -29.6330 1.00000
32 -29.6115 1.00000
33 -29.5862 1.00000
34 -29.5789 1.00000
35 -29.5775 1.00000
36 -29.5775 1.00000
37 -29.5738 1.00000
38 -29.5738 1.00000
39 -29.5727 1.00000
40 -29.5686 1.00000
41 -29.5668 1.00000
42 -29.5564 1.00000
43 -29.5564 1.00000
44 -29.5524 1.00000
45 -29.5502 1.00000
46 -29.5374 1.00000
47 -29.5374 1.00000
48 -29.5246 1.00000
49 -29.4880 1.00000
50 -29.4855 1.00000
51 -29.4855 1.00000
52 -29.4828 1.00000
53 -29.4661 1.00000
54 -29.4659 1.00000
55 -29.4659 1.00000
56 -29.4631 1.00000
57 -29.4609 1.00000
58 -29.4574 1.00000
59 -29.4574 1.00000
60 -29.4565 1.00000
61 -29.4177 1.00000
62 -29.4157 1.00000
63 -29.4157 1.00000
64 -29.4137 1.00000
65 -14.0325 1.00000
66 -13.8943 1.00000
67 -13.8943 1.00000
68 -13.7406 1.00000
69 -13.6465 1.00000
70 -13.5961 1.00000
71 -13.5961 1.00000
72 -13.5326 1.00000
73 -13.4347 1.00000
74 -13.3802 1.00000
75 -13.3802 1.00000
76 -13.3461 1.00000
77 -13.1990 1.00000
78 -13.1733 1.00000
79 -13.1392 1.00000
80 -13.1392 1.00000
81 -13.1056 1.00000
82 -13.1056 1.00000
83 -13.0831 1.00000
84 -13.0783 1.00000
85 -13.0566 1.00000
86 -13.0566 1.00000
87 -13.0507 1.00000
88 -13.0395 1.00000
89 -12.9756 1.00000
90 -12.9689 1.00000
91 -12.9689 1.00000
92 -12.9435 1.00000
93 -12.8661 1.00000
94 -12.8379 1.00000
95 -12.8379 1.00000
96 -12.8104 1.00000
97 -1.4386 1.00000
98 -1.3799 1.00000
99 -1.3799 1.00000
100 -1.3771 1.00000
101 -1.3629 1.00000
102 -1.3629 1.00000
103 -1.3438 1.00000
104 -1.2213 1.00000
105 -1.1724 1.00000
106 -1.1659 1.00000
107 -1.1324 1.00000
108 -1.1320 1.00000
109 -1.1320 1.00000
110 -1.0408 1.00000
111 -1.0408 1.00000
112 -0.9927 1.00000
113 -0.8477 1.00000
114 -0.8036 1.00000
115 -0.8036 1.00000
116 -0.7708 1.00000
117 -0.3363 1.00000
118 -0.3363 1.00000
119 -0.2922 1.00000
120 -0.2625 1.00000
121 -0.2527 1.00000
122 -0.2236 1.00000
123 -0.1181 1.00000
124 -0.1159 1.00000
125 -0.1159 1.00000
126 -0.0690 1.00000
127 -0.0690 1.00000
128 0.0566 1.00000
129 0.1704 1.00000
130 0.2345 1.00000
131 0.2865 1.00000
132 0.2865 1.00000
133 0.3117 1.00000
134 0.3117 1.00000
135 0.3471 1.00000
136 0.3913 1.00000
137 0.4686 1.00000
138 0.4810 1.00000
139 0.4810 1.00000
140 0.5149 1.00000
141 0.5156 1.00000
142 0.5237 1.00000
143 0.5269 1.00000
144 0.5407 1.00000
145 0.5407 1.00000
146 0.6133 1.00000
147 0.6133 1.00000
148 0.6477 1.00000
149 0.8276 1.00000
150 0.8790 1.00000
151 0.8790 1.00000
152 0.9571 1.00000
153 1.1368 1.00000
154 1.1716 1.00000
155 1.1716 1.00000
156 1.1838 1.00000
157 1.1968 1.00000
158 1.3040 1.00000
159 1.3140 1.00000
160 1.3140 1.00000
161 1.3673 1.00000
162 1.3673 1.00000
163 1.4771 1.00000
164 1.4903 1.00000
165 1.7312 1.00000
166 1.8251 1.00000
167 1.8251 1.00000
168 1.8961 1.00000
169 2.0581 1.00000
170 2.0590 1.00000
171 2.0920 1.00000
172 2.0920 1.00000
173 2.1753 1.00000
174 2.1807 1.00000
175 2.1807 1.00000
176 2.3817 1.00000
177 2.4424 1.00000
178 2.5329 1.00000
179 2.5329 1.00000
180 2.5519 1.00000
181 2.5720 1.00000
182 2.6565 1.00000
183 2.6565 1.00000
184 2.6947 1.00000
185 2.7819 1.00000
186 2.7819 1.00000
187 2.7985 1.00000
188 2.8971 1.00000
189 2.8971 1.00000
190 2.9067 1.00000
191 2.9304 1.00000
192 2.9803 1.00000
193 5.9941 0.00000
194 6.0189 0.00000
195 6.0189 0.00000
196 6.0307 0.00000
197 6.0788 0.00000
198 6.1120 0.00000
199 6.1120 0.00000
200 6.1299 0.00000
201 6.1546 0.00000
202 6.1856 0.00000
203 6.1888 0.00000
204 6.1888 0.00000
205 6.1925 0.00000
206 6.1925 0.00000
207 6.2245 0.00000
208 6.2253 0.00000
209 6.4320 0.00000
210 6.5114 0.00000
211 6.5218 0.00000
212 6.5218 0.00000
213 6.5248 0.00000
214 6.5400 0.00000
215 6.5529 0.00000
216 6.5529 0.00000
217 6.5566 0.00000
218 6.5834 0.00000
219 6.5834 0.00000
220 6.5886 0.00000
221 6.6536 0.00000
222 6.7199 0.00000
223 6.7199 0.00000
224 6.7223 0.00000
225 6.7538 0.00000
226 6.8405 0.00000
227 6.8405 0.00000
228 6.8642 0.00000
229 6.8869 0.00000
230 7.0348 0.00000
231 7.0348 0.00000
232 7.0870 0.00000
233 7.0875 0.00000
234 7.0875 0.00000
235 7.1662 0.00000
236 7.2373 0.00000
237 7.2471 0.00000
238 7.3205 0.00000
239 7.3205 0.00000
240 7.4620 0.00000
241 8.5522 0.00000
242 8.6412 0.00000
243 8.6412 0.00000
244 8.6667 0.00000
245 8.7546 0.00000
246 8.7546 0.00000
247 8.7588 0.00000
248 8.8395 0.00000
249 8.8991 0.00000
250 8.9770 0.00000
251 8.9770 0.00000
252 9.0621 0.00000
253 9.4138 0.00000
254 9.5117 0.00000
255 9.6123 0.00000
256 9.6336 0.00000
k-point 7 : 0.0833 0.0833 0.2500
band No. band energies occupation
1 -53.3401 1.00000
2 -53.3285 1.00000
3 -53.3285 1.00000
4 -53.3264 1.00000
5 -53.3262 1.00000
6 -53.3262 1.00000
7 -53.3157 1.00000
8 -53.3139 1.00000
9 -53.3114 1.00000
10 -53.3096 1.00000
11 -53.3069 1.00000
12 -53.3031 1.00000
13 -53.3031 1.00000
14 -53.3007 1.00000
15 -53.3007 1.00000
16 -53.2931 1.00000
17 -29.7542 1.00000
18 -29.7474 1.00000
19 -29.7474 1.00000
20 -29.7370 1.00000
21 -29.7370 1.00000
22 -29.7367 1.00000
23 -29.7300 1.00000
24 -29.7239 1.00000
25 -29.7179 1.00000
26 -29.6633 1.00000
27 -29.6612 1.00000
28 -29.6612 1.00000
29 -29.6584 1.00000
30 -29.6584 1.00000
31 -29.5987 1.00000
32 -29.5979 1.00000
33 -29.5913 1.00000
34 -29.5903 1.00000
35 -29.5745 1.00000
36 -29.5691 1.00000
37 -29.5606 1.00000
38 -29.5606 1.00000
39 -29.5588 1.00000
40 -29.5588 1.00000
41 -29.5579 1.00000
42 -29.5557 1.00000
43 -29.5323 1.00000
44 -29.5323 1.00000
45 -29.5319 1.00000
46 -29.5319 1.00000
47 -29.5259 1.00000
48 -29.4871 1.00000
49 -29.4855 1.00000
50 -29.4772 1.00000
51 -29.4772 1.00000
52 -29.4752 1.00000
53 -29.4752 1.00000
54 -29.4711 1.00000
55 -29.4708 1.00000
56 -29.4572 1.00000
57 -29.4526 1.00000
58 -29.4482 1.00000
59 -29.4432 1.00000
60 -29.4432 1.00000
61 -29.4430 1.00000
62 -29.4355 1.00000
63 -29.4355 1.00000
64 -29.4310 1.00000
65 -14.3492 1.00000
66 -14.0577 1.00000
67 -13.8971 1.00000
68 -13.8971 1.00000
69 -13.8598 1.00000
70 -13.8598 1.00000
71 -13.6549 1.00000
72 -13.4047 1.00000
73 -13.3329 1.00000
74 -13.2671 1.00000
75 -13.1878 1.00000
76 -13.1878 1.00000
77 -13.1842 1.00000
78 -13.1806 1.00000
79 -13.1806 1.00000
80 -13.1412 1.00000
81 -13.1081 1.00000
82 -13.0872 1.00000
83 -13.0459 1.00000
84 -13.0261 1.00000
85 -13.0261 1.00000
86 -12.9847 1.00000
87 -12.9847 1.00000
88 -12.9702 1.00000
89 -12.9105 1.00000
90 -12.9105 1.00000
91 -12.9027 1.00000
92 -12.9027 1.00000
93 -12.8307 1.00000
94 -12.8161 1.00000
95 -12.8000 1.00000
96 -12.7827 1.00000
97 -1.3274 1.00000
98 -1.3274 1.00000
99 -1.2853 1.00000
100 -1.2485 1.00000
101 -1.2342 1.00000
102 -1.2215 1.00000
103 -1.2215 1.00000
104 -1.1456 1.00000
105 -0.9766 1.00000
106 -0.9760 1.00000
107 -0.9760 1.00000
108 -0.9099 1.00000
109 -0.8213 1.00000
110 -0.8178 1.00000
111 -0.8178 1.00000
112 -0.7845 1.00000
113 -0.6643 1.00000
114 -0.6516 1.00000
115 -0.6282 1.00000
116 -0.6274 1.00000
117 -0.5944 1.00000
118 -0.5452 1.00000
119 -0.5452 1.00000
120 -0.5387 1.00000
121 -0.5387 1.00000
122 -0.5339 1.00000
123 -0.5339 1.00000
124 -0.5332 1.00000
125 -0.5038 1.00000
126 -0.4998 1.00000
127 -0.4998 1.00000
128 -0.4849 1.00000
129 -0.4665 1.00000
130 -0.4594 1.00000
131 -0.4279 1.00000
132 -0.2962 1.00000
133 -0.0319 1.00000
134 -0.0319 1.00000
135 -0.0246 1.00000
136 -0.0246 1.00000
137 0.2678 1.00000
138 0.3130 1.00000
139 0.4488 1.00000
140 0.4864 1.00000
141 0.6849 1.00000
142 0.6849 1.00000
143 0.9143 1.00000
144 0.9143 1.00000
145 0.9974 1.00000
146 0.9974 1.00000
147 1.0445 1.00000
148 1.0445 1.00000
149 1.1127 1.00000
150 1.1147 1.00000
151 1.1624 1.00000
152 1.1696 1.00000
153 1.1939 1.00000
154 1.1939 1.00000
155 1.2253 1.00000
156 1.2576 1.00000
157 1.2576 1.00000
158 1.2960 1.00000
159 1.3335 1.00000
160 1.5150 1.00000
161 1.5952 1.00000
162 1.6230 1.00000
163 1.6230 1.00000
164 1.7304 1.00000
165 1.7304 1.00000
166 1.7764 1.00000
167 1.8803 1.00000
168 1.9008 1.00000
169 1.9915 1.00000
170 2.1850 1.00000
171 2.1948 1.00000
172 2.2263 1.00000
173 2.2263 1.00000
174 2.2350 1.00000
175 2.2350 1.00000
176 2.2719 1.00000
177 2.2719 1.00000
178 2.2824 1.00000
179 2.2824 1.00000
180 2.3246 1.00000
181 2.4245 1.00000
182 2.4245 1.00000
183 2.4278 1.00000
184 2.4278 1.00000
185 2.7143 1.00000
186 2.7959 1.00000
187 2.9368 1.00000
188 2.9413 1.00000
189 2.9603 1.00000
190 2.9782 1.00000
191 3.0393 1.00000
192 3.0601 1.00000
193 5.3267 0.00000
194 5.4818 0.00000
195 5.7155 0.00000
196 5.8859 0.00000
197 6.2971 0.00000
198 6.2971 0.00000
199 6.3067 0.00000
200 6.3067 0.00000
201 6.3505 0.00000
202 6.3902 0.00000
203 6.4262 0.00000
204 6.4716 0.00000
205 6.4808 0.00000
206 6.4808 0.00000
207 6.4946 0.00000
208 6.4946 0.00000
209 6.6094 0.00000
210 6.6094 0.00000
211 6.6161 0.00000
212 6.6161 0.00000
213 6.6720 0.00000
214 6.6720 0.00000
215 6.6765 0.00000
216 6.6934 0.00000
217 6.6934 0.00000
218 6.7041 0.00000
219 6.7601 0.00000
220 6.7713 0.00000
221 6.7774 0.00000
222 6.7807 0.00000
223 6.8808 0.00000
224 6.9019 0.00000
225 7.0964 0.00000
226 7.0971 0.00000
227 7.2005 0.00000
228 7.2020 0.00000
229 7.2644 0.00000
230 7.2644 0.00000
231 7.3082 0.00000
232 7.3082 0.00000
233 7.4458 0.00000
234 7.4458 0.00000
235 7.4643 0.00000
236 7.4643 0.00000
237 7.8309 0.00000
238 7.8501 0.00000
239 7.8523 0.00000
240 7.8753 0.00000
241 7.9106 0.00000
242 8.0249 0.00000
243 8.1587 0.00000
244 8.3217 0.00000
245 8.3581 0.00000
246 8.3611 0.00000
247 8.3611 0.00000
248 8.3798 0.00000
249 8.3798 0.00000
250 8.6098 0.00000
251 9.0653 0.00000
252 9.0681 0.00000
253 9.0861 0.00000
254 9.0895 0.00000
255 9.1440 0.00000
256 9.2972 0.00000
k-point 8 : 0.2500 0.0833 0.2500
band No. band energies occupation
1 -53.3390 1.00000
2 -53.3314 1.00000
3 -53.3274 1.00000
4 -53.3258 1.00000
5 -53.3251 1.00000
6 -53.3247 1.00000
7 -53.3191 1.00000
8 -53.3168 1.00000
9 -53.3090 1.00000
10 -53.3069 1.00000
11 -53.3067 1.00000
12 -53.3051 1.00000
13 -53.3037 1.00000
14 -53.3013 1.00000
15 -53.2984 1.00000
16 -53.2936 1.00000
17 -29.7540 1.00000
18 -29.7522 1.00000
19 -29.7468 1.00000
20 -29.7419 1.00000
21 -29.7366 1.00000
22 -29.7331 1.00000
23 -29.7207 1.00000
24 -29.7102 1.00000
25 -29.7036 1.00000
26 -29.6695 1.00000
27 -29.6659 1.00000
28 -29.6625 1.00000
29 -29.6536 1.00000
30 -29.6449 1.00000
31 -29.5985 1.00000
32 -29.5977 1.00000
33 -29.5923 1.00000
34 -29.5821 1.00000
35 -29.5807 1.00000
36 -29.5726 1.00000
37 -29.5703 1.00000
38 -29.5689 1.00000
39 -29.5686 1.00000
40 -29.5628 1.00000
41 -29.5575 1.00000
42 -29.5562 1.00000
43 -29.5395 1.00000
44 -29.5387 1.00000
45 -29.5300 1.00000
46 -29.5274 1.00000
47 -29.5220 1.00000
48 -29.4945 1.00000
49 -29.4849 1.00000
50 -29.4794 1.00000
51 -29.4770 1.00000
52 -29.4743 1.00000
53 -29.4736 1.00000
54 -29.4713 1.00000
55 -29.4694 1.00000
56 -29.4643 1.00000
57 -29.4592 1.00000
58 -29.4512 1.00000
59 -29.4436 1.00000
60 -29.4411 1.00000
61 -29.4369 1.00000
62 -29.4335 1.00000
63 -29.4292 1.00000
64 -29.4279 1.00000
65 -14.2890 1.00000
66 -14.0074 1.00000
67 -13.9677 1.00000
68 -13.8538 1.00000
69 -13.8164 1.00000
70 -13.7781 1.00000
71 -13.6091 1.00000
72 -13.3666 1.00000
73 -13.3140 1.00000
74 -13.3077 1.00000
75 -13.2639 1.00000
76 -13.2440 1.00000
77 -13.2080 1.00000
78 -13.1955 1.00000
79 -13.1697 1.00000
80 -13.1428 1.00000
81 -13.1356 1.00000
82 -13.0848 1.00000
83 -13.0756 1.00000
84 -13.0689 1.00000
85 -13.0252 1.00000
86 -13.0140 1.00000
87 -12.9734 1.00000
88 -12.9528 1.00000
89 -12.9150 1.00000
90 -12.9033 1.00000
91 -12.8938 1.00000
92 -12.8699 1.00000
93 -12.8690 1.00000
94 -12.8496 1.00000
95 -12.8199 1.00000
96 -12.7912 1.00000
97 -1.4572 1.00000
98 -1.4026 1.00000
99 -1.3861 1.00000
100 -1.3701 1.00000
101 -1.3200 1.00000
102 -1.2586 1.00000
103 -1.2266 1.00000
104 -1.1659 1.00000
105 -0.9733 1.00000
106 -0.9641 1.00000
107 -0.8775 1.00000
108 -0.8621 1.00000
109 -0.8559 1.00000
110 -0.8303 1.00000
111 -0.7792 1.00000
112 -0.7438 1.00000
113 -0.7153 1.00000
114 -0.6685 1.00000
115 -0.6341 1.00000
116 -0.6266 1.00000
117 -0.5937 1.00000
118 -0.5904 1.00000
119 -0.5644 1.00000
120 -0.5419 1.00000
121 -0.5385 1.00000
122 -0.4946 1.00000
123 -0.4814 1.00000
124 -0.4274 1.00000
125 -0.4103 1.00000
126 -0.4043 1.00000
127 -0.3775 1.00000
128 -0.3300 1.00000
129 -0.2744 1.00000
130 -0.2658 1.00000
131 -0.1514 1.00000
132 -0.1425 1.00000
133 -0.0377 1.00000
134 -0.0338 1.00000
135 -0.0329 1.00000
136 0.0120 1.00000
137 0.1388 1.00000
138 0.2130 1.00000
139 0.5140 1.00000
140 0.5578 1.00000
141 0.5635 1.00000
142 0.5901 1.00000
143 0.7410 1.00000
144 0.8217 1.00000
145 0.8770 1.00000
146 0.9499 1.00000
147 0.9652 1.00000
148 1.0100 1.00000
149 1.0110 1.00000
150 1.0549 1.00000
151 1.1190 1.00000
152 1.1434 1.00000
153 1.1500 1.00000
154 1.1623 1.00000
155 1.1700 1.00000
156 1.2115 1.00000
157 1.3432 1.00000
158 1.3895 1.00000
159 1.4308 1.00000
160 1.5492 1.00000
161 1.6542 1.00000
162 1.7730 1.00000
163 1.8054 1.00000
164 1.8257 1.00000
165 1.8475 1.00000
166 1.8727 1.00000
167 1.8735 1.00000
168 1.8902 1.00000
169 1.9341 1.00000
170 1.9559 1.00000
171 1.9754 1.00000
172 2.1463 1.00000
173 2.2179 1.00000
174 2.2357 1.00000
175 2.2703 1.00000
176 2.3096 1.00000
177 2.3433 1.00000
178 2.3934 1.00000
179 2.4633 1.00000
180 2.4797 1.00000
181 2.5015 1.00000
182 2.5061 1.00000
183 2.5113 1.00000
184 2.5240 1.00000
185 2.5418 1.00000
186 2.7438 1.00000
187 2.7587 1.00000
188 2.8044 1.00000
189 2.8153 1.00000
190 2.8759 1.00000
191 3.0389 1.00000
192 3.0527 1.00000
193 5.5959 0.00000
194 5.6540 0.00000
195 5.8837 0.00000
196 5.9521 0.00000
197 6.1703 0.00000
198 6.2150 0.00000
199 6.2201 0.00000
200 6.2489 0.00000
201 6.2656 0.00000
202 6.2899 0.00000
203 6.3068 0.00000
204 6.3310 0.00000
205 6.4202 0.00000
206 6.4418 0.00000
207 6.4505 0.00000
208 6.4661 0.00000
209 6.5844 0.00000
210 6.5950 0.00000
211 6.5979 0.00000
212 6.6157 0.00000
213 6.6245 0.00000
214 6.6267 0.00000
215 6.6298 0.00000
216 6.6299 0.00000
217 6.6355 0.00000
218 6.6719 0.00000
219 6.7439 0.00000
220 6.7497 0.00000
221 6.7602 0.00000
222 6.7621 0.00000
223 6.7828 0.00000
224 6.7969 0.00000
225 6.8199 0.00000
226 6.9197 0.00000
227 7.0488 0.00000
228 7.0942 0.00000
229 7.1479 0.00000
230 7.2281 0.00000
231 7.2501 0.00000
232 7.2990 0.00000
233 7.3666 0.00000
234 7.4303 0.00000
235 7.4467 0.00000
236 7.4549 0.00000
237 7.7003 0.00000
238 7.7187 0.00000
239 7.7649 0.00000
240 7.7942 0.00000
241 8.0390 0.00000
242 8.1476 0.00000
243 8.2891 0.00000
244 8.3375 0.00000
245 8.4804 0.00000
246 8.5322 0.00000
247 8.5872 0.00000
248 8.5882 0.00000
249 8.6785 0.00000
250 8.7871 0.00000
251 9.0106 0.00000
252 9.0433 0.00000
253 9.1144 0.00000
254 9.1584 0.00000
255 9.1900 0.00000
256 9.3476 0.00000
k-point 9 : 0.4167 0.0833 0.2500
band No. band energies occupation
1 -53.3370 1.00000
2 -53.3344 1.00000
3 -53.3253 1.00000
4 -53.3250 1.00000
5 -53.3244 1.00000
6 -53.3229 1.00000
7 -53.3224 1.00000
8 -53.3201 1.00000
9 -53.3068 1.00000
10 -53.3067 1.00000
11 -53.3063 1.00000
12 -53.3049 1.00000
13 -53.3043 1.00000
14 -53.3025 1.00000
15 -53.2963 1.00000
16 -53.2947 1.00000
17 -29.7538 1.00000
18 -29.7536 1.00000
19 -29.7458 1.00000
20 -29.7444 1.00000
21 -29.7358 1.00000
22 -29.7349 1.00000
23 -29.7009 1.00000
24 -29.6924 1.00000
25 -29.6866 1.00000
26 -29.6824 1.00000
27 -29.6764 1.00000
28 -29.6718 1.00000
29 -29.6376 1.00000
30 -29.6230 1.00000
31 -29.6158 1.00000
32 -29.5968 1.00000
33 -29.5935 1.00000
34 -29.5932 1.00000
35 -29.5833 1.00000
36 -29.5827 1.00000
37 -29.5682 1.00000
38 -29.5671 1.00000
39 -29.5668 1.00000
40 -29.5651 1.00000
41 -29.5567 1.00000
42 -29.5563 1.00000
43 -29.5526 1.00000
44 -29.5514 1.00000
45 -29.5262 1.00000
46 -29.5225 1.00000
47 -29.5185 1.00000
48 -29.5063 1.00000
49 -29.4835 1.00000
50 -29.4816 1.00000
51 -29.4750 1.00000
52 -29.4724 1.00000
53 -29.4717 1.00000
54 -29.4714 1.00000
55 -29.4706 1.00000
56 -29.4662 1.00000
57 -29.4652 1.00000
58 -29.4588 1.00000
59 -29.4402 1.00000
60 -29.4395 1.00000
61 -29.4330 1.00000
62 -29.4320 1.00000
63 -29.4256 1.00000
64 -29.4253 1.00000
65 -14.1860 1.00000
66 -14.0692 1.00000
67 -13.9355 1.00000
68 -13.8791 1.00000
69 -13.6706 1.00000
70 -13.6298 1.00000
71 -13.5112 1.00000
72 -13.4895 1.00000
73 -13.4446 1.00000
74 -13.3608 1.00000
75 -13.3038 1.00000
76 -13.2585 1.00000
77 -13.2451 1.00000
78 -13.2143 1.00000
79 -13.1925 1.00000
80 -13.1791 1.00000
81 -13.0833 1.00000
82 -13.0792 1.00000
83 -13.0642 1.00000
84 -13.0363 1.00000
85 -13.0332 1.00000
86 -12.9722 1.00000
87 -12.9654 1.00000
88 -12.9474 1.00000
89 -12.9200 1.00000
90 -12.9089 1.00000
91 -12.8978 1.00000
92 -12.8890 1.00000
93 -12.8833 1.00000
94 -12.8728 1.00000
95 -12.8645 1.00000
96 -12.8331 1.00000
97 -1.3948 1.00000
98 -1.3679 1.00000
99 -1.3436 1.00000
100 -1.3307 1.00000
101 -1.3088 1.00000
102 -1.2684 1.00000
103 -1.2597 1.00000
104 -1.1757 1.00000
105 -1.1470 1.00000
106 -1.1342 1.00000
107 -1.1069 1.00000
108 -1.0430 1.00000
109 -0.9682 1.00000
110 -0.9676 1.00000
111 -0.8045 1.00000
112 -0.7939 1.00000
113 -0.6818 1.00000
114 -0.6752 1.00000
115 -0.6099 1.00000
116 -0.5878 1.00000
117 -0.5745 1.00000
118 -0.5740 1.00000
119 -0.5537 1.00000
120 -0.5461 1.00000
121 -0.5327 1.00000
122 -0.4989 1.00000
123 -0.4278 1.00000
124 -0.4083 1.00000
125 -0.3157 1.00000
126 -0.2549 1.00000
127 -0.2540 1.00000
128 -0.2132 1.00000
129 -0.1823 1.00000
130 -0.1219 1.00000
131 -0.0690 1.00000
132 -0.0440 1.00000
133 0.0663 1.00000
134 0.1561 1.00000
135 0.2512 1.00000
136 0.3731 1.00000
137 0.3827 1.00000
138 0.4128 1.00000
139 0.5090 1.00000
140 0.5175 1.00000
141 0.6070 1.00000
142 0.6426 1.00000
143 0.7013 1.00000
144 0.7078 1.00000
145 0.7084 1.00000
146 0.7469 1.00000
147 0.8140 1.00000
148 0.9919 1.00000
149 1.0160 1.00000
150 1.0473 1.00000
151 1.0479 1.00000
152 1.0694 1.00000
153 1.0943 1.00000
154 1.1120 1.00000
155 1.1597 1.00000
156 1.1845 1.00000
157 1.2890 1.00000
158 1.3199 1.00000
159 1.3335 1.00000
160 1.4049 1.00000
161 1.4674 1.00000
162 1.6073 1.00000
163 1.6247 1.00000
164 1.6761 1.00000
165 1.7800 1.00000
166 1.8351 1.00000
167 1.8412 1.00000
168 1.9594 1.00000
169 2.0604 1.00000
170 2.1507 1.00000
171 2.1691 1.00000
172 2.1975 1.00000
173 2.2630 1.00000
174 2.3241 1.00000
175 2.3534 1.00000
176 2.3743 1.00000
177 2.4284 1.00000
178 2.4468 1.00000
179 2.4649 1.00000
180 2.5146 1.00000
181 2.5288 1.00000
182 2.5535 1.00000
183 2.5697 1.00000
184 2.6044 1.00000
185 2.6311 1.00000
186 2.6404 1.00000
187 2.7119 1.00000
188 2.7129 1.00000
189 2.7827 1.00000
190 2.7855 1.00000
191 2.9627 1.00000
192 2.9666 1.00000
193 5.8290 0.00000
194 5.9314 0.00000
195 6.0033 0.00000
196 6.1012 0.00000
197 6.1244 0.00000
198 6.1432 0.00000
199 6.1744 0.00000
200 6.1767 0.00000
201 6.2070 0.00000
202 6.2209 0.00000
203 6.2437 0.00000
204 6.2632 0.00000
205 6.3229 0.00000
206 6.3356 0.00000
207 6.3478 0.00000
208 6.3652 0.00000
209 6.3944 0.00000
210 6.4586 0.00000
211 6.4723 0.00000
212 6.5312 0.00000
213 6.5557 0.00000
214 6.6000 0.00000
215 6.6051 0.00000
216 6.6069 0.00000
217 6.6229 0.00000
218 6.6278 0.00000
219 6.6312 0.00000
220 6.6488 0.00000
221 6.7564 0.00000
222 6.7574 0.00000
223 6.7609 0.00000
224 6.7739 0.00000
225 6.7739 0.00000
226 6.8155 0.00000
227 6.8984 0.00000
228 6.8985 0.00000
229 7.2416 0.00000
230 7.3157 0.00000
231 7.3252 0.00000
232 7.3558 0.00000
233 7.3569 0.00000
234 7.4052 0.00000
235 7.4535 0.00000
236 7.5024 0.00000
237 7.5034 0.00000
238 7.5246 0.00000
239 7.6125 0.00000
240 7.6493 0.00000
241 8.1182 0.00000
242 8.1999 0.00000
243 8.2077 0.00000
244 8.2692 0.00000
245 8.7702 0.00000
246 8.7797 0.00000
247 8.7897 0.00000
248 8.8037 0.00000
249 8.9198 0.00000
250 8.9248 0.00000
251 8.9363 0.00000
252 8.9519 0.00000
253 8.9744 0.00000
254 9.0202 0.00000
255 9.0650 0.00000
256 9.2805 0.00000
k-point 10 : 0.2500 0.2500 0.2500
band No. band energies occupation
1 -53.3379 1.00000
2 -53.3303 1.00000
3 -53.3303 1.00000
4 -53.3252 1.00000
5 -53.3237 1.00000
6 -53.3237 1.00000
7 -53.3222 1.00000
8 -53.3169 1.00000
9 -53.3094 1.00000
10 -53.3070 1.00000
11 -53.3056 1.00000
12 -53.3056 1.00000
13 -53.3041 1.00000
14 -53.2989 1.00000
15 -53.2989 1.00000
16 -53.2942 1.00000
17 -29.7538 1.00000
18 -29.7516 1.00000
19 -29.7516 1.00000
20 -29.7470 1.00000
21 -29.7248 1.00000
22 -29.7207 1.00000
23 -29.7207 1.00000
24 -29.7057 1.00000
25 -29.6899 1.00000
26 -29.6744 1.00000
27 -29.6594 1.00000
28 -29.6594 1.00000
29 -29.6488 1.00000
30 -29.6488 1.00000
31 -29.6047 1.00000
32 -29.5973 1.00000
33 -29.5957 1.00000
34 -29.5805 1.00000
35 -29.5761 1.00000
36 -29.5727 1.00000
37 -29.5717 1.00000
38 -29.5717 1.00000
39 -29.5715 1.00000
40 -29.5677 1.00000
41 -29.5677 1.00000
42 -29.5631 1.00000
43 -29.5371 1.00000
44 -29.5371 1.00000
45 -29.5336 1.00000
46 -29.5336 1.00000
47 -29.5225 1.00000
48 -29.5002 1.00000
49 -29.4859 1.00000
50 -29.4800 1.00000
51 -29.4800 1.00000
52 -29.4723 1.00000
53 -29.4723 1.00000
54 -29.4713 1.00000
55 -29.4703 1.00000
56 -29.4670 1.00000
57 -29.4588 1.00000
58 -29.4489 1.00000
59 -29.4489 1.00000
60 -29.4472 1.00000
61 -29.4307 1.00000
62 -29.4272 1.00000
63 -29.4272 1.00000
64 -29.4252 1.00000
65 -14.2264 1.00000
66 -13.9505 1.00000
67 -13.8899 1.00000
68 -13.8899 1.00000
69 -13.7725 1.00000
70 -13.7725 1.00000
71 -13.5698 1.00000
72 -13.4237 1.00000
73 -13.3276 1.00000
74 -13.2982 1.00000
75 -13.2834 1.00000
76 -13.2156 1.00000
77 -13.1718 1.00000
78 -13.1718 1.00000
79 -13.1632 1.00000
80 -13.1632 1.00000
81 -13.1366 1.00000
82 -13.1362 1.00000
83 -13.1362 1.00000
84 -13.0664 1.00000
85 -13.0630 1.00000
86 -13.0630 1.00000
87 -13.0259 1.00000
88 -12.9371 1.00000
89 -12.9224 1.00000
90 -12.9080 1.00000
91 -12.9080 1.00000
92 -12.8899 1.00000
93 -12.8592 1.00000
94 -12.8592 1.00000
95 -12.8366 1.00000
96 -12.7829 1.00000
97 -1.4635 1.00000
98 -1.4500 1.00000
99 -1.4500 1.00000
100 -1.4228 1.00000
101 -1.3759 1.00000
102 -1.3759 1.00000
103 -1.3691 1.00000
104 -1.2503 1.00000
105 -0.9147 1.00000
106 -0.9074 1.00000
107 -0.8460 1.00000
108 -0.8143 1.00000
109 -0.8006 1.00000
110 -0.8006 1.00000
111 -0.7900 1.00000
112 -0.7900 1.00000
113 -0.7831 1.00000
114 -0.7310 1.00000
115 -0.7310 1.00000
116 -0.6735 1.00000
117 -0.5499 1.00000
118 -0.4652 1.00000
119 -0.4652 1.00000
120 -0.3930 1.00000
121 -0.3904 1.00000
122 -0.3803 1.00000
123 -0.3803 1.00000
124 -0.3492 1.00000
125 -0.3325 1.00000
126 -0.2501 1.00000
127 -0.2480 1.00000
128 -0.2480 1.00000
129 -0.1644 1.00000
130 -0.1588 1.00000
131 -0.1447 1.00000
132 -0.0855 1.00000
133 -0.0332 1.00000
134 -0.0332 1.00000
135 0.0193 1.00000
136 0.0193 1.00000
137 0.0392 1.00000
138 0.2717 1.00000
139 0.4260 1.00000
140 0.4262 1.00000
141 0.4262 1.00000
142 0.5571 1.00000
143 0.7392 1.00000
144 0.7392 1.00000
145 0.7874 1.00000
146 0.8171 1.00000
147 0.8171 1.00000
148 0.8409 1.00000
149 1.0297 1.00000
150 1.0297 1.00000
151 1.0625 1.00000
152 1.2071 1.00000
153 1.2258 1.00000
154 1.2258 1.00000
155 1.2295 1.00000
156 1.3596 1.00000
157 1.3625 1.00000
158 1.3625 1.00000
159 1.4564 1.00000
160 1.6039 1.00000
161 1.6888 1.00000
162 1.7736 1.00000
163 1.7736 1.00000
164 1.8274 1.00000
165 1.8505 1.00000
166 1.9174 1.00000
167 1.9174 1.00000
168 1.9491 1.00000
169 1.9853 1.00000
170 1.9853 1.00000
171 1.9930 1.00000
172 2.0318 1.00000
173 2.0318 1.00000
174 2.0760 1.00000
175 2.2447 1.00000
176 2.3065 1.00000
177 2.4446 1.00000
178 2.4672 1.00000
179 2.4672 1.00000
180 2.4722 1.00000
181 2.4722 1.00000
182 2.5484 1.00000
183 2.6132 1.00000
184 2.6132 1.00000
185 2.6376 1.00000
186 2.6376 1.00000
187 2.6895 1.00000
188 2.7216 1.00000
189 2.8375 1.00000
190 2.8406 1.00000
191 3.0248 1.00000
192 3.0382 1.00000
193 5.8151 0.00000
194 5.8479 0.00000
195 5.9284 0.00000
196 5.9712 0.00000
197 6.1403 0.00000
198 6.1403 0.00000
199 6.1622 0.00000
200 6.1622 0.00000
201 6.1935 0.00000
202 6.2701 0.00000
203 6.2921 0.00000
204 6.2921 0.00000
205 6.3270 0.00000
206 6.3270 0.00000
207 6.3928 0.00000
208 6.4556 0.00000
209 6.4926 0.00000
210 6.5287 0.00000
211 6.5614 0.00000
212 6.5733 0.00000
213 6.5780 0.00000
214 6.5780 0.00000
215 6.5964 0.00000
216 6.5964 0.00000
217 6.6397 0.00000
218 6.6884 0.00000
219 6.6884 0.00000
220 6.7088 0.00000
221 6.7321 0.00000
222 6.7321 0.00000
223 6.7371 0.00000
224 6.7635 0.00000
225 6.8611 0.00000
226 6.8899 0.00000
227 6.9061 0.00000
228 6.9944 0.00000
229 7.0187 0.00000
230 7.0187 0.00000
231 7.1314 0.00000
232 7.1314 0.00000
233 7.2894 0.00000
234 7.2894 0.00000
235 7.3834 0.00000
236 7.3834 0.00000
237 7.5653 0.00000
238 7.6198 0.00000
239 7.6316 0.00000
240 7.7168 0.00000
241 8.2633 0.00000
242 8.2964 0.00000
243 8.5295 0.00000
244 8.5295 0.00000
245 8.5315 0.00000
246 8.5315 0.00000
247 8.6449 0.00000
248 8.8446 0.00000
249 8.8737 0.00000
250 8.9911 0.00000
251 9.0443 0.00000
252 9.0886 0.00000
253 9.1722 0.00000
254 9.1723 0.00000
255 9.3836 0.00000
256 9.3967 0.00000
k-point 11 : 0.4167 0.2500 0.2500
band No. band energies occupation
1 -53.3359 1.00000
2 -53.3333 1.00000
3 -53.3282 1.00000
4 -53.3254 1.00000
5 -53.3242 1.00000
6 -53.3235 1.00000
7 -53.3217 1.00000
8 -53.3192 1.00000
9 -53.3081 1.00000
10 -53.3071 1.00000
11 -53.3067 1.00000
12 -53.3066 1.00000
13 -53.3019 1.00000
14 -53.3001 1.00000
15 -53.2969 1.00000
16 -53.2953 1.00000
17 -29.7535 1.00000
18 -29.7531 1.00000
19 -29.7506 1.00000
20 -29.7493 1.00000
21 -29.7219 1.00000
22 -29.7209 1.00000
23 -29.7019 1.00000
24 -29.6895 1.00000
25 -29.6852 1.00000
26 -29.6729 1.00000
27 -29.6719 1.00000
28 -29.6580 1.00000
29 -29.6449 1.00000
30 -29.6270 1.00000
31 -29.6250 1.00000
32 -29.6017 1.00000
33 -29.5922 1.00000
34 -29.5913 1.00000
35 -29.5830 1.00000
36 -29.5816 1.00000
37 -29.5727 1.00000
38 -29.5725 1.00000
39 -29.5668 1.00000
40 -29.5658 1.00000
41 -29.5643 1.00000
42 -29.5599 1.00000
43 -29.5498 1.00000
44 -29.5454 1.00000
45 -29.5324 1.00000
46 -29.5267 1.00000
47 -29.5240 1.00000
48 -29.5116 1.00000
49 -29.4849 1.00000
50 -29.4828 1.00000
51 -29.4790 1.00000
52 -29.4756 1.00000
53 -29.4712 1.00000
54 -29.4710 1.00000
55 -29.4690 1.00000
56 -29.4638 1.00000
57 -29.4624 1.00000
58 -29.4562 1.00000
59 -29.4469 1.00000
60 -29.4466 1.00000
61 -29.4268 1.00000
62 -29.4258 1.00000
63 -29.4235 1.00000
64 -29.4230 1.00000
65 -14.1187 1.00000
66 -13.9962 1.00000
67 -13.8670 1.00000
68 -13.8013 1.00000
69 -13.7505 1.00000
70 -13.6259 1.00000
71 -13.5812 1.00000
72 -13.4836 1.00000
73 -13.4472 1.00000
74 -13.3426 1.00000
75 -13.2624 1.00000
76 -13.2376 1.00000
77 -13.2005 1.00000
78 -13.1778 1.00000
79 -13.1662 1.00000
80 -13.1637 1.00000
81 -13.1595 1.00000
82 -13.1513 1.00000
83 -13.0993 1.00000
84 -13.0529 1.00000
85 -13.0467 1.00000
86 -13.0324 1.00000
87 -13.0222 1.00000
88 -12.9788 1.00000
89 -12.9579 1.00000
90 -12.9536 1.00000
91 -12.9070 1.00000
92 -12.8936 1.00000
93 -12.8725 1.00000
94 -12.8695 1.00000
95 -12.8383 1.00000
96 -12.8073 1.00000
97 -1.4492 1.00000
98 -1.4381 1.00000
99 -1.4297 1.00000
100 -1.3975 1.00000
101 -1.3883 1.00000
102 -1.3379 1.00000
103 -1.3199 1.00000
104 -1.2145 1.00000
105 -1.1709 1.00000
106 -1.1465 1.00000
107 -1.1065 1.00000
108 -1.0569 1.00000
109 -0.8323 1.00000
110 -0.8143 1.00000
111 -0.8113 1.00000
112 -0.8044 1.00000
113 -0.8023 1.00000
114 -0.7629 1.00000
115 -0.6950 1.00000
116 -0.6833 1.00000
117 -0.4648 1.00000
118 -0.4493 1.00000
119 -0.3941 1.00000
120 -0.3698 1.00000
121 -0.3276 1.00000
122 -0.2785 1.00000
123 -0.2771 1.00000
124 -0.2229 1.00000
125 -0.2205 1.00000
126 -0.2136 1.00000
127 -0.1875 1.00000
128 -0.1845 1.00000
129 -0.1754 1.00000
130 -0.0551 1.00000
131 -0.0339 1.00000
132 -0.0081 1.00000
133 0.0258 1.00000
134 0.1435 1.00000
135 0.2223 1.00000
136 0.3522 1.00000
137 0.3681 1.00000
138 0.4569 1.00000
139 0.4671 1.00000
140 0.4941 1.00000
141 0.5579 1.00000
142 0.5843 1.00000
143 0.5984 1.00000
144 0.6012 1.00000
145 0.6612 1.00000
146 0.6663 1.00000
147 0.6974 1.00000
148 0.7869 1.00000
149 0.8824 1.00000
150 0.9620 1.00000
151 1.0809 1.00000
152 1.1595 1.00000
153 1.1707 1.00000
154 1.2033 1.00000
155 1.2527 1.00000
156 1.2696 1.00000
157 1.3340 1.00000
158 1.4176 1.00000
159 1.4293 1.00000
160 1.4294 1.00000
161 1.5036 1.00000
162 1.5347 1.00000
163 1.6075 1.00000
164 1.6221 1.00000
165 1.7177 1.00000
166 1.7658 1.00000
167 1.9709 1.00000
168 2.0177 1.00000
169 2.0322 1.00000
170 2.0325 1.00000
171 2.0931 1.00000
172 2.1307 1.00000
173 2.1560 1.00000
174 2.2042 1.00000
175 2.2952 1.00000
176 2.3097 1.00000
177 2.4646 1.00000
178 2.4781 1.00000
179 2.4847 1.00000
180 2.4870 1.00000
181 2.5092 1.00000
182 2.5238 1.00000
183 2.5637 1.00000
184 2.6658 1.00000
185 2.6810 1.00000
186 2.7142 1.00000
187 2.7625 1.00000
188 2.8213 1.00000
189 2.8235 1.00000
190 2.8460 1.00000
191 2.9663 1.00000
192 2.9689 1.00000
193 5.9584 0.00000
194 5.9966 0.00000
195 6.0525 0.00000
196 6.0603 0.00000
197 6.0811 0.00000
198 6.1129 0.00000
199 6.1374 0.00000
200 6.1441 0.00000
201 6.1676 0.00000
202 6.1780 0.00000
203 6.2497 0.00000
204 6.2519 0.00000
205 6.2590 0.00000
206 6.2728 0.00000
207 6.3191 0.00000
208 6.3217 0.00000
209 6.3268 0.00000
210 6.4796 0.00000
211 6.4920 0.00000
212 6.5143 0.00000
213 6.5410 0.00000
214 6.5596 0.00000
215 6.5602 0.00000
216 6.5878 0.00000
217 6.6307 0.00000
218 6.6505 0.00000
219 6.6801 0.00000
220 6.6825 0.00000
221 6.6916 0.00000
222 6.6994 0.00000
223 6.7165 0.00000
224 6.7283 0.00000
225 6.7360 0.00000
226 6.7600 0.00000
227 6.7710 0.00000
228 6.8423 0.00000
229 7.0249 0.00000
230 7.0976 0.00000
231 7.1434 0.00000
232 7.1702 0.00000
233 7.2542 0.00000
234 7.2542 0.00000
235 7.2971 0.00000
236 7.3547 0.00000
237 7.4241 0.00000
238 7.4351 0.00000
239 7.4645 0.00000
240 7.5745 0.00000
241 8.3711 0.00000
242 8.3824 0.00000
243 8.4513 0.00000
244 8.4527 0.00000
245 8.7105 0.00000
246 8.7405 0.00000
247 8.8529 0.00000
248 8.8698 0.00000
249 8.8968 0.00000
250 9.0301 0.00000
251 9.1412 0.00000
252 9.1524 0.00000
253 9.2515 0.00000
254 9.3061 0.00000
255 9.3083 0.00000
256 9.3215 0.00000
k-point 12 : 0.4167 0.4167 0.2500
band No. band energies occupation
1 -53.3339 1.00000
2 -53.3312 1.00000
3 -53.3312 1.00000
4 -53.3285 1.00000
5 -53.3229 1.00000
6 -53.3218 1.00000
7 -53.3218 1.00000
8 -53.3201 1.00000
9 -53.3081 1.00000
10 -53.3074 1.00000
11 -53.3074 1.00000
12 -53.3074 1.00000
13 -53.2997 1.00000
14 -53.2980 1.00000
15 -53.2980 1.00000
16 -53.2964 1.00000
17 -29.7530 1.00000
18 -29.7524 1.00000
19 -29.7524 1.00000
20 -29.7514 1.00000
21 -29.7107 1.00000
22 -29.7046 1.00000
23 -29.7046 1.00000
24 -29.6922 1.00000
25 -29.6772 1.00000
26 -29.6595 1.00000
27 -29.6595 1.00000
28 -29.6545 1.00000
29 -29.6417 1.00000
30 -29.6374 1.00000
31 -29.6374 1.00000
32 -29.6158 1.00000
33 -29.5882 1.00000
34 -29.5876 1.00000
35 -29.5813 1.00000
36 -29.5813 1.00000
37 -29.5797 1.00000
38 -29.5797 1.00000
39 -29.5780 1.00000
40 -29.5753 1.00000
41 -29.5554 1.00000
42 -29.5484 1.00000
43 -29.5435 1.00000
44 -29.5435 1.00000
45 -29.5350 1.00000
46 -29.5350 1.00000
47 -29.5347 1.00000
48 -29.5223 1.00000
49 -29.4848 1.00000
50 -29.4825 1.00000
51 -29.4825 1.00000
52 -29.4799 1.00000
53 -29.4696 1.00000
54 -29.4684 1.00000
55 -29.4684 1.00000
56 -29.4651 1.00000
57 -29.4582 1.00000
58 -29.4532 1.00000
59 -29.4532 1.00000
60 -29.4506 1.00000
61 -29.4229 1.00000
62 -29.4219 1.00000
63 -29.4219 1.00000
64 -29.4211 1.00000
65 -14.0018 1.00000
66 -13.8676 1.00000
67 -13.8676 1.00000
68 -13.7583 1.00000
69 -13.7161 1.00000
70 -13.6658 1.00000
71 -13.6658 1.00000
72 -13.5225 1.00000
73 -13.4243 1.00000
74 -13.3143 1.00000
75 -13.3143 1.00000
76 -13.2628 1.00000
77 -13.2004 1.00000
78 -13.1914 1.00000
79 -13.1416 1.00000
80 -13.1416 1.00000
81 -13.1215 1.00000
82 -13.1203 1.00000
83 -13.1203 1.00000
84 -13.0957 1.00000
85 -13.0772 1.00000
86 -13.0772 1.00000
87 -13.0485 1.00000
88 -13.0032 1.00000
89 -12.9935 1.00000
90 -12.9412 1.00000
91 -12.9412 1.00000
92 -12.9088 1.00000
93 -12.8814 1.00000
94 -12.8507 1.00000
95 -12.8507 1.00000
96 -12.8224 1.00000
97 -1.4327 1.00000
98 -1.3996 1.00000
99 -1.3798 1.00000
100 -1.3798 1.00000
101 -1.3662 1.00000
102 -1.3662 1.00000
103 -1.3027 1.00000
104 -1.2222 1.00000
105 -1.2019 1.00000
106 -1.1876 1.00000
107 -1.1162 1.00000
108 -1.1162 1.00000
109 -1.0900 1.00000
110 -1.0526 1.00000
111 -1.0526 1.00000
112 -1.0043 1.00000
113 -0.7577 1.00000
114 -0.7216 1.00000
115 -0.7216 1.00000
116 -0.6997 1.00000
117 -0.3339 1.00000
118 -0.3339 1.00000
119 -0.3194 1.00000
120 -0.2977 1.00000
121 -0.2772 1.00000
122 -0.1859 1.00000
123 -0.1859 1.00000
124 -0.1697 1.00000
125 -0.1604 1.00000
126 -0.1405 1.00000
127 -0.1405 1.00000
128 -0.0732 1.00000
129 -0.0608 1.00000
130 0.1728 1.00000
131 0.1728 1.00000
132 0.1980 1.00000
133 0.2929 1.00000
134 0.2929 1.00000
135 0.3540 1.00000
136 0.3614 1.00000
137 0.4241 1.00000
138 0.4799 1.00000
139 0.4870 1.00000
140 0.4870 1.00000
141 0.5601 1.00000
142 0.5786 1.00000
143 0.5786 1.00000
144 0.6114 1.00000
145 0.6271 1.00000
146 0.7277 1.00000
147 0.7277 1.00000
148 0.7643 1.00000
149 0.8291 1.00000
150 0.9112 1.00000
151 0.9112 1.00000
152 0.9630 1.00000
153 1.1029 1.00000
154 1.1757 1.00000
155 1.1757 1.00000
156 1.2066 1.00000
157 1.2389 1.00000
158 1.2747 1.00000
159 1.2747 1.00000
160 1.4075 1.00000
161 1.4439 1.00000
162 1.4693 1.00000
163 1.4693 1.00000
164 1.5564 1.00000
165 1.6352 1.00000
166 1.7630 1.00000
167 1.7630 1.00000
168 1.9515 1.00000
169 2.0758 1.00000
170 2.0981 1.00000
171 2.1586 1.00000
172 2.1586 1.00000
173 2.1918 1.00000
174 2.1918 1.00000
175 2.2958 1.00000
176 2.3597 1.00000
177 2.4167 1.00000
178 2.4656 1.00000
179 2.5171 1.00000
180 2.5171 1.00000
181 2.5365 1.00000
182 2.5409 1.00000
183 2.5409 1.00000
184 2.6364 1.00000
185 2.7827 1.00000
186 2.8457 1.00000
187 2.8457 1.00000
188 2.8821 1.00000
189 2.8821 1.00000
190 2.9134 1.00000
191 2.9425 1.00000
192 2.9488 1.00000
193 5.9893 0.00000
194 6.0161 0.00000
195 6.0161 0.00000
196 6.0353 0.00000
197 6.0431 0.00000
198 6.0691 0.00000
199 6.0691 0.00000
200 6.1057 0.00000
201 6.1868 0.00000
202 6.2199 0.00000
203 6.2199 0.00000
204 6.2248 0.00000
205 6.2482 0.00000
206 6.2482 0.00000
207 6.2512 0.00000
208 6.3157 0.00000
209 6.3876 0.00000
210 6.4493 0.00000
211 6.4719 0.00000
212 6.4818 0.00000
213 6.4818 0.00000
214 6.5376 0.00000
215 6.5376 0.00000
216 6.5398 0.00000
217 6.5922 0.00000
218 6.6089 0.00000
219 6.6089 0.00000
220 6.6161 0.00000
221 6.6496 0.00000
222 6.6666 0.00000
223 6.6666 0.00000
224 6.6851 0.00000
225 6.7546 0.00000
226 6.8512 0.00000
227 6.8977 0.00000
228 6.8977 0.00000
229 6.9336 0.00000
230 7.0236 0.00000
231 7.0236 0.00000
232 7.1167 0.00000
233 7.1167 0.00000
234 7.1243 0.00000
235 7.1329 0.00000
236 7.2273 0.00000
237 7.2718 0.00000
238 7.2884 0.00000
239 7.2884 0.00000
240 7.4302 0.00000
241 8.5144 0.00000
242 8.5342 0.00000
243 8.6126 0.00000
244 8.6126 0.00000
245 8.6423 0.00000
246 8.6423 0.00000
247 8.7348 0.00000
248 8.7761 0.00000
249 9.0136 0.00000
250 9.1368 0.00000
251 9.1368 0.00000
252 9.2323 0.00000
253 9.3498 0.00000
254 9.5098 0.00000
255 9.5208 0.00000
256 9.5508 0.00000
k-point 13 : 0.0833 0.0833 0.4167
band No. band energies occupation
1 -53.3368 1.00000
2 -53.3321 1.00000
3 -53.3278 1.00000
4 -53.3278 1.00000
5 -53.3270 1.00000
6 -53.3270 1.00000
7 -53.3153 1.00000
8 -53.3147 1.00000
9 -53.3106 1.00000
10 -53.3100 1.00000
11 -53.3023 1.00000
12 -53.3023 1.00000
13 -53.3014 1.00000
14 -53.3014 1.00000
15 -53.3011 1.00000
16 -53.2964 1.00000
17 -29.7413 1.00000
18 -29.7413 1.00000
19 -29.7372 1.00000
20 -29.7372 1.00000
21 -29.7347 1.00000
22 -29.7324 1.00000
23 -29.7323 1.00000
24 -29.7218 1.00000
25 -29.7197 1.00000
26 -29.7013 1.00000
27 -29.6670 1.00000
28 -29.6670 1.00000
29 -29.6656 1.00000
30 -29.6656 1.00000
31 -29.5991 1.00000
32 -29.5990 1.00000
33 -29.5901 1.00000
34 -29.5899 1.00000
35 -29.5689 1.00000
36 -29.5656 1.00000
37 -29.5632 1.00000
38 -29.5607 1.00000
39 -29.5601 1.00000
40 -29.5601 1.00000
41 -29.5595 1.00000
42 -29.5595 1.00000
43 -29.5258 1.00000
44 -29.5258 1.00000
45 -29.5257 1.00000
46 -29.5257 1.00000
47 -29.4900 1.00000
48 -29.4827 1.00000
49 -29.4804 1.00000
50 -29.4765 1.00000
51 -29.4765 1.00000
52 -29.4757 1.00000
53 -29.4757 1.00000
54 -29.4752 1.00000
55 -29.4727 1.00000
56 -29.4558 1.00000
57 -29.4541 1.00000
58 -29.4532 1.00000
59 -29.4465 1.00000
60 -29.4446 1.00000
61 -29.4436 1.00000
62 -29.4436 1.00000
63 -29.4406 1.00000
64 -29.4406 1.00000
65 -14.2787 1.00000
66 -14.1791 1.00000
67 -13.8851 1.00000
68 -13.8851 1.00000
69 -13.8714 1.00000
70 -13.8714 1.00000
71 -13.5405 1.00000
72 -13.4525 1.00000
73 -13.3302 1.00000
74 -13.3053 1.00000
75 -13.1861 1.00000
76 -13.1861 1.00000
77 -13.1835 1.00000
78 -13.1835 1.00000
79 -13.1733 1.00000
80 -13.1584 1.00000
81 -13.0709 1.00000
82 -13.0567 1.00000
83 -13.0531 1.00000
84 -13.0179 1.00000
85 -13.0179 1.00000
86 -13.0054 1.00000
87 -13.0033 1.00000
88 -13.0033 1.00000
89 -12.9025 1.00000
90 -12.9025 1.00000
91 -12.8992 1.00000
92 -12.8992 1.00000
93 -12.8263 1.00000
94 -12.8212 1.00000
95 -12.7937 1.00000
96 -12.7876 1.00000
97 -1.3029 1.00000
98 -1.3029 1.00000
99 -1.2669 1.00000
100 -1.2669 1.00000
101 -1.2441 1.00000
102 -1.2201 1.00000
103 -1.2150 1.00000
104 -1.1786 1.00000
105 -0.9149 1.00000
106 -0.9149 1.00000
107 -0.9092 1.00000
108 -0.8729 1.00000
109 -0.8673 1.00000
110 -0.8622 1.00000
111 -0.8622 1.00000
112 -0.7890 1.00000
113 -0.6446 1.00000
114 -0.6377 1.00000
115 -0.6182 1.00000
116 -0.6027 1.00000
117 -0.5897 1.00000
118 -0.5507 1.00000
119 -0.5406 1.00000
120 -0.5406 1.00000
121 -0.5366 1.00000
122 -0.5366 1.00000
123 -0.5293 1.00000
124 -0.5152 1.00000
125 -0.4828 1.00000
126 -0.4772 1.00000
127 -0.4716 1.00000
128 -0.4716 1.00000
129 -0.4450 1.00000
130 -0.4450 1.00000
131 -0.4113 1.00000
132 -0.3655 1.00000
133 -0.1570 1.00000
134 -0.1570 1.00000
135 -0.1456 1.00000
136 -0.1456 1.00000
137 0.1658 1.00000
138 0.1906 1.00000
139 0.3571 1.00000
140 0.3800 1.00000
141 0.8998 1.00000
142 0.8998 1.00000
143 0.9930 1.00000
144 0.9930 1.00000
145 1.0392 1.00000
146 1.0392 1.00000
147 1.1098 1.00000
148 1.1107 1.00000
149 1.1146 1.00000
150 1.1146 1.00000
151 1.1694 1.00000
152 1.1707 1.00000
153 1.1745 1.00000
154 1.1745 1.00000
155 1.2388 1.00000
156 1.2388 1.00000
157 1.4178 1.00000
158 1.4298 1.00000
159 1.4298 1.00000
160 1.4370 1.00000
161 1.5000 1.00000
162 1.5006 1.00000
163 1.5006 1.00000
164 1.6597 1.00000
165 1.7039 1.00000
166 1.7298 1.00000
167 1.9532 1.00000
168 1.9772 1.00000
169 2.0620 1.00000
170 2.0809 1.00000
171 2.0978 1.00000
172 2.2199 1.00000
173 2.2281 1.00000
174 2.2281 1.00000
175 2.2313 1.00000
176 2.2313 1.00000
177 2.2991 1.00000
178 2.2991 1.00000
179 2.2996 1.00000
180 2.2996 1.00000
181 2.5077 1.00000
182 2.5077 1.00000
183 2.5091 1.00000
184 2.5091 1.00000
185 2.8049 1.00000
186 2.8628 1.00000
187 2.8666 1.00000
188 2.8784 1.00000
189 2.8817 1.00000
190 2.9214 1.00000
191 2.9649 1.00000
192 2.9698 1.00000
193 5.3632 0.00000
194 5.4158 0.00000
195 5.7864 0.00000
196 5.8446 0.00000
197 6.2715 0.00000
198 6.2715 0.00000
199 6.2752 0.00000
200 6.2752 0.00000
201 6.4599 0.00000
202 6.4796 0.00000
203 6.4918 0.00000
204 6.4918 0.00000
205 6.4946 0.00000
206 6.4946 0.00000
207 6.5423 0.00000
208 6.5693 0.00000
209 6.5934 0.00000
210 6.5963 0.00000
211 6.6393 0.00000
212 6.6393 0.00000
213 6.6410 0.00000
214 6.6410 0.00000
215 6.6656 0.00000
216 6.6656 0.00000
217 6.6736 0.00000
218 6.6750 0.00000
219 6.6750 0.00000
220 6.6785 0.00000
221 6.7948 0.00000
222 6.8048 0.00000
223 6.8323 0.00000
224 6.8466 0.00000
225 7.1438 0.00000
226 7.1464 0.00000
227 7.1796 0.00000
228 7.1806 0.00000
229 7.2570 0.00000
230 7.2570 0.00000
231 7.2723 0.00000
232 7.2723 0.00000
233 7.4623 0.00000
234 7.4623 0.00000
235 7.4678 0.00000
236 7.4678 0.00000
237 7.8376 0.00000
238 7.8445 0.00000
239 7.8553 0.00000
240 7.8638 0.00000
241 7.8970 0.00000
242 7.9407 0.00000
243 8.2375 0.00000
244 8.3035 0.00000
245 8.3636 0.00000
246 8.3636 0.00000
247 8.3714 0.00000
248 8.3714 0.00000
249 8.4079 0.00000
250 8.5000 0.00000
251 9.0744 0.00000
252 9.0750 0.00000
253 9.0829 0.00000
254 9.0832 0.00000
255 9.2852 0.00000
256 9.2967 0.00000
k-point 14 : 0.2500 0.0833 0.4167
band No. band energies occupation
1 -53.3358 1.00000
2 -53.3313 1.00000
3 -53.3296 1.00000
4 -53.3272 1.00000
5 -53.3267 1.00000
6 -53.3259 1.00000
7 -53.3185 1.00000
8 -53.3177 1.00000
9 -53.3082 1.00000
10 -53.3073 1.00000
11 -53.3029 1.00000
12 -53.3025 1.00000
13 -53.3020 1.00000
14 -53.3014 1.00000
15 -53.3001 1.00000
16 -53.2969 1.00000
17 -29.7411 1.00000
18 -29.7410 1.00000
19 -29.7386 1.00000
20 -29.7370 1.00000
21 -29.7352 1.00000
22 -29.7332 1.00000
23 -29.7290 1.00000
24 -29.7090 1.00000
25 -29.7064 1.00000
26 -29.7041 1.00000
27 -29.6707 1.00000
28 -29.6690 1.00000
29 -29.6567 1.00000
30 -29.6526 1.00000
31 -29.5997 1.00000
32 -29.5996 1.00000
33 -29.5854 1.00000
34 -29.5798 1.00000
35 -29.5795 1.00000
36 -29.5787 1.00000
37 -29.5705 1.00000
38 -29.5699 1.00000
39 -29.5654 1.00000
40 -29.5613 1.00000
41 -29.5608 1.00000
42 -29.5593 1.00000
43 -29.5338 1.00000
44 -29.5337 1.00000
45 -29.5220 1.00000
46 -29.5220 1.00000
47 -29.4961 1.00000
48 -29.4909 1.00000
49 -29.4801 1.00000
50 -29.4774 1.00000
51 -29.4755 1.00000
52 -29.4753 1.00000
53 -29.4752 1.00000
54 -29.4744 1.00000
55 -29.4659 1.00000
56 -29.4621 1.00000
57 -29.4602 1.00000
58 -29.4472 1.00000
59 -29.4472 1.00000
60 -29.4422 1.00000
61 -29.4412 1.00000
62 -29.4396 1.00000
63 -29.4386 1.00000
64 -29.4382 1.00000
65 -14.2206 1.00000
66 -14.1242 1.00000
67 -13.9345 1.00000
68 -13.8931 1.00000
69 -13.8041 1.00000
70 -13.7900 1.00000
71 -13.4990 1.00000
72 -13.4132 1.00000
73 -13.3048 1.00000
74 -13.2991 1.00000
75 -13.2809 1.00000
76 -13.2803 1.00000
77 -13.2019 1.00000
78 -13.1945 1.00000
79 -13.1443 1.00000
80 -13.1416 1.00000
81 -13.1391 1.00000
82 -13.1073 1.00000
83 -13.0557 1.00000
84 -13.0399 1.00000
85 -13.0324 1.00000
86 -13.0050 1.00000
87 -12.9906 1.00000
88 -12.9867 1.00000
89 -12.8977 1.00000
90 -12.8954 1.00000
91 -12.8915 1.00000
92 -12.8809 1.00000
93 -12.8625 1.00000
94 -12.8554 1.00000
95 -12.8099 1.00000
96 -12.7995 1.00000
97 -1.4349 1.00000
98 -1.4039 1.00000
99 -1.3832 1.00000
100 -1.3767 1.00000
101 -1.2975 1.00000
102 -1.2657 1.00000
103 -1.2284 1.00000
104 -1.1974 1.00000
105 -0.9117 1.00000
106 -0.8886 1.00000
107 -0.8761 1.00000
108 -0.8720 1.00000
109 -0.8696 1.00000
110 -0.8516 1.00000
111 -0.7775 1.00000
112 -0.7664 1.00000
113 -0.6171 1.00000
114 -0.6032 1.00000
115 -0.5913 1.00000
116 -0.5851 1.00000
117 -0.5831 1.00000
118 -0.5514 1.00000
119 -0.5499 1.00000
120 -0.5063 1.00000
121 -0.4971 1.00000
122 -0.4915 1.00000
123 -0.4603 1.00000
124 -0.4602 1.00000
125 -0.4328 1.00000
126 -0.4253 1.00000
127 -0.4126 1.00000
128 -0.4084 1.00000
129 -0.3637 1.00000
130 -0.3280 1.00000
131 -0.1900 1.00000
132 -0.1688 1.00000
133 -0.1532 1.00000
134 -0.1458 1.00000
135 -0.0689 1.00000
136 -0.0434 1.00000
137 0.0585 1.00000
138 0.0981 1.00000
139 0.4502 1.00000
140 0.4808 1.00000
141 0.6280 1.00000
142 0.6923 1.00000
143 0.8062 1.00000
144 0.8903 1.00000
145 0.8946 1.00000
146 0.9437 1.00000
147 0.9641 1.00000
148 0.9893 1.00000
149 1.0336 1.00000
150 1.1440 1.00000
151 1.1609 1.00000
152 1.1783 1.00000
153 1.1888 1.00000
154 1.1987 1.00000
155 1.3277 1.00000
156 1.3396 1.00000
157 1.3449 1.00000
158 1.4208 1.00000
159 1.4795 1.00000
160 1.5541 1.00000
161 1.6111 1.00000
162 1.7093 1.00000
163 1.7226 1.00000
164 1.7782 1.00000
165 1.8160 1.00000
166 1.8209 1.00000
167 1.8944 1.00000
168 1.9030 1.00000
169 1.9379 1.00000
170 1.9424 1.00000
171 1.9791 1.00000
172 2.0334 1.00000
173 2.2457 1.00000
174 2.2584 1.00000
175 2.2879 1.00000
176 2.3478 1.00000
177 2.3522 1.00000
178 2.3619 1.00000
179 2.5024 1.00000
180 2.5115 1.00000
181 2.5593 1.00000
182 2.5600 1.00000
183 2.5708 1.00000
184 2.5771 1.00000
185 2.6015 1.00000
186 2.6828 1.00000
187 2.7504 1.00000
188 2.7683 1.00000
189 2.7711 1.00000
190 2.7899 1.00000
191 2.9696 1.00000
192 2.9701 1.00000
193 5.6086 0.00000
194 5.6288 0.00000
195 5.9126 0.00000
196 5.9365 0.00000
197 6.1690 0.00000
198 6.1862 0.00000
199 6.2177 0.00000
200 6.2305 0.00000
201 6.2932 0.00000
202 6.3083 0.00000
203 6.3533 0.00000
204 6.3693 0.00000
205 6.4421 0.00000
206 6.4456 0.00000
207 6.4742 0.00000
208 6.4747 0.00000
209 6.5888 0.00000
210 6.5919 0.00000
211 6.6006 0.00000
212 6.6117 0.00000
213 6.6180 0.00000
214 6.6222 0.00000
215 6.6509 0.00000
216 6.6554 0.00000
217 6.6591 0.00000
218 6.6733 0.00000
219 6.6835 0.00000
220 6.6920 0.00000
221 6.7428 0.00000
222 6.7453 0.00000
223 6.7625 0.00000
224 6.7827 0.00000
225 6.8417 0.00000
226 6.8747 0.00000
227 7.0448 0.00000
228 7.0632 0.00000
229 7.1939 0.00000
230 7.2286 0.00000
231 7.2500 0.00000
232 7.2780 0.00000
233 7.3779 0.00000
234 7.4031 0.00000
235 7.4526 0.00000
236 7.4556 0.00000
237 7.7150 0.00000
238 7.7240 0.00000
239 7.7589 0.00000
240 7.7721 0.00000
241 8.0257 0.00000
242 8.0667 0.00000
243 8.2880 0.00000
244 8.3084 0.00000
245 8.5497 0.00000
246 8.5800 0.00000
247 8.5811 0.00000
248 8.5902 0.00000
249 8.6493 0.00000
250 8.7087 0.00000
251 9.0348 0.00000
252 9.0535 0.00000
253 9.1109 0.00000
254 9.1204 0.00000
255 9.2585 0.00000
256 9.3642 0.00000
k-point 15 : 0.4167 0.0833 0.4167
band No. band energies occupation
1 -53.3341 1.00000
2 -53.3319 1.00000
3 -53.3299 1.00000
4 -53.3284 1.00000
5 -53.3246 1.00000
6 -53.3237 1.00000
7 -53.3217 1.00000
8 -53.3209 1.00000
9 -53.3058 1.00000
10 -53.3050 1.00000
11 -53.3040 1.00000
12 -53.3032 1.00000
13 -53.3023 1.00000
14 -53.3018 1.00000
15 -53.2988 1.00000
16 -53.2977 1.00000
17 -29.7406 1.00000
18 -29.7401 1.00000
19 -29.7383 1.00000
20 -29.7367 1.00000
21 -29.7364 1.00000
22 -29.7353 1.00000
23 -29.7189 1.00000
24 -29.7100 1.00000
25 -29.6929 1.00000
26 -29.6906 1.00000
27 -29.6791 1.00000
28 -29.6771 1.00000
29 -29.6366 1.00000
30 -29.6305 1.00000
31 -29.6108 1.00000
32 -29.6038 1.00000
33 -29.5952 1.00000
34 -29.5951 1.00000
35 -29.5846 1.00000
36 -29.5842 1.00000
37 -29.5649 1.00000
38 -29.5645 1.00000
39 -29.5643 1.00000
40 -29.5628 1.00000
41 -29.5603 1.00000
42 -29.5597 1.00000
43 -29.5482 1.00000
44 -29.5479 1.00000
45 -29.5151 1.00000
46 -29.5139 1.00000
47 -29.5056 1.00000
48 -29.5026 1.00000
49 -29.4794 1.00000
50 -29.4785 1.00000
51 -29.4751 1.00000
52 -29.4751 1.00000
53 -29.4728 1.00000
54 -29.4713 1.00000
55 -29.4681 1.00000
56 -29.4664 1.00000
57 -29.4580 1.00000
58 -29.4518 1.00000
59 -29.4415 1.00000
60 -29.4393 1.00000
61 -29.4391 1.00000
62 -29.4386 1.00000
63 -29.4365 1.00000
64 -29.4362 1.00000
65 -14.1233 1.00000
66 -14.0365 1.00000
67 -14.0184 1.00000
68 -13.9507 1.00000
69 -13.6576 1.00000
70 -13.6426 1.00000
71 -13.4754 1.00000
72 -13.4589 1.00000
73 -13.4167 1.00000
74 -13.3399 1.00000
75 -13.2955 1.00000
76 -13.2631 1.00000
77 -13.2455 1.00000
78 -13.2429 1.00000
79 -13.2136 1.00000
80 -13.2094 1.00000
81 -13.0839 1.00000
82 -13.0823 1.00000
83 -13.0576 1.00000
84 -13.0474 1.00000
85 -12.9900 1.00000
86 -12.9658 1.00000
87 -12.9570 1.00000
88 -12.9501 1.00000
89 -12.9356 1.00000
90 -12.9060 1.00000
91 -12.9047 1.00000
92 -12.9010 1.00000
93 -12.8805 1.00000
94 -12.8746 1.00000
95 -12.8525 1.00000
96 -12.8412 1.00000
97 -1.3786 1.00000
98 -1.3554 1.00000
99 -1.3541 1.00000
100 -1.3455 1.00000
101 -1.2934 1.00000
102 -1.2764 1.00000
103 -1.2277 1.00000
104 -1.1858 1.00000
105 -1.1663 1.00000
106 -1.1510 1.00000
107 -1.0833 1.00000
108 -1.0600 1.00000
109 -0.9019 1.00000
110 -0.8963 1.00000
111 -0.8436 1.00000
112 -0.8423 1.00000
113 -0.6007 1.00000
114 -0.5853 1.00000
115 -0.5798 1.00000
116 -0.5748 1.00000
117 -0.5646 1.00000
118 -0.5592 1.00000
119 -0.4926 1.00000
120 -0.4709 1.00000
121 -0.4536 1.00000
122 -0.4464 1.00000
123 -0.4253 1.00000
124 -0.3986 1.00000
125 -0.3443 1.00000
126 -0.3320 1.00000
127 -0.3162 1.00000
128 -0.3074 1.00000
129 -0.3034 1.00000
130 -0.2818 1.00000
131 -0.2628 1.00000
132 -0.2171 1.00000
133 0.0637 1.00000
134 0.1115 1.00000
135 0.2979 1.00000
136 0.3514 1.00000
137 0.3783 1.00000
138 0.3908 1.00000
139 0.5102 1.00000
140 0.5148 1.00000
141 0.5584 1.00000
142 0.5863 1.00000
143 0.6945 1.00000
144 0.7126 1.00000
145 0.7711 1.00000
146 0.7972 1.00000
147 0.8618 1.00000
148 0.9647 1.00000
149 1.0678 1.00000
150 1.0739 1.00000
151 1.0825 1.00000
152 1.1188 1.00000
153 1.1274 1.00000
154 1.2481 1.00000
155 1.2790 1.00000
156 1.2867 1.00000
157 1.2891 1.00000
158 1.3536 1.00000
159 1.3687 1.00000
160 1.4385 1.00000
161 1.5076 1.00000
162 1.5670 1.00000
163 1.6373 1.00000
164 1.6620 1.00000
165 1.6933 1.00000
166 1.7257 1.00000
167 1.8281 1.00000
168 1.8916 1.00000
169 2.1306 1.00000
170 2.1333 1.00000
171 2.1766 1.00000
172 2.2095 1.00000
173 2.2927 1.00000
174 2.3257 1.00000
175 2.3987 1.00000
176 2.4300 1.00000
177 2.4502 1.00000
178 2.4645 1.00000
179 2.4800 1.00000
180 2.4966 1.00000
181 2.5608 1.00000
182 2.5671 1.00000
183 2.5987 1.00000
184 2.6023 1.00000
185 2.6202 1.00000
186 2.6212 1.00000
187 2.6235 1.00000
188 2.6621 1.00000
189 2.7546 1.00000
190 2.7632 1.00000
191 2.9049 1.00000
192 2.9101 1.00000
193 5.8480 0.00000
194 5.8821 0.00000
195 6.0203 0.00000
196 6.0539 0.00000
197 6.1551 0.00000
198 6.1666 0.00000
199 6.1734 0.00000
200 6.2055 0.00000
201 6.2115 0.00000
202 6.2212 0.00000
203 6.2542 0.00000
204 6.2596 0.00000
205 6.3434 0.00000
206 6.3459 0.00000
207 6.3562 0.00000
208 6.3631 0.00000
209 6.4174 0.00000
210 6.4458 0.00000
211 6.5052 0.00000
212 6.5256 0.00000
213 6.5867 0.00000
214 6.6116 0.00000
215 6.6148 0.00000
216 6.6197 0.00000
217 6.6223 0.00000
218 6.6412 0.00000
219 6.6466 0.00000
220 6.6567 0.00000
221 6.6992 0.00000
222 6.7066 0.00000
223 6.7320 0.00000
224 6.7339 0.00000
225 6.7943 0.00000
226 6.8237 0.00000
227 6.8451 0.00000
228 6.8567 0.00000
229 7.2767 0.00000
230 7.3060 0.00000
231 7.3472 0.00000
232 7.3692 0.00000
233 7.3762 0.00000
234 7.3935 0.00000
235 7.4393 0.00000
236 7.4651 0.00000
237 7.5268 0.00000
238 7.5391 0.00000
239 7.5988 0.00000
240 7.6168 0.00000
241 8.1062 0.00000
242 8.1418 0.00000
243 8.1912 0.00000
244 8.2199 0.00000
245 8.7827 0.00000
246 8.7855 0.00000
247 8.8288 0.00000
248 8.8701 0.00000
249 8.8834 0.00000
250 8.9450 0.00000
251 8.9506 0.00000
252 8.9510 0.00000
253 8.9591 0.00000
254 8.9841 0.00000
255 9.0966 0.00000
256 9.1871 0.00000
k-point 16 : 0.2500 0.2500 0.4167
band No. band energies occupation
1 -53.3348 1.00000
2 -53.3305 1.00000
3 -53.3285 1.00000
4 -53.3285 1.00000
5 -53.3262 1.00000
6 -53.3262 1.00000
7 -53.3209 1.00000
8 -53.3191 1.00000
9 -53.3072 1.00000
10 -53.3054 1.00000
11 -53.3031 1.00000
12 -53.3031 1.00000
13 -53.3017 1.00000
14 -53.3007 1.00000
15 -53.3007 1.00000
16 -53.2973 1.00000
17 -29.7410 1.00000
18 -29.7410 1.00000
19 -29.7406 1.00000
20 -29.7340 1.00000
21 -29.7328 1.00000
22 -29.7291 1.00000
23 -29.7291 1.00000
24 -29.7065 1.00000
25 -29.7000 1.00000
26 -29.6946 1.00000
27 -29.6607 1.00000
28 -29.6607 1.00000
29 -29.6561 1.00000
30 -29.6561 1.00000
31 -29.5987 1.00000
32 -29.5986 1.00000
33 -29.5951 1.00000
34 -29.5871 1.00000
35 -29.5723 1.00000
36 -29.5715 1.00000
37 -29.5714 1.00000
38 -29.5714 1.00000
39 -29.5710 1.00000
40 -29.5697 1.00000
41 -29.5697 1.00000
42 -29.5674 1.00000
43 -29.5300 1.00000
44 -29.5300 1.00000
45 -29.5294 1.00000
46 -29.5294 1.00000
47 -29.5022 1.00000
48 -29.4976 1.00000
49 -29.4807 1.00000
50 -29.4771 1.00000
51 -29.4771 1.00000
52 -29.4755 1.00000
53 -29.4741 1.00000
54 -29.4741 1.00000
55 -29.4667 1.00000
56 -29.4627 1.00000
57 -29.4601 1.00000
58 -29.4444 1.00000
59 -29.4444 1.00000
60 -29.4425 1.00000
61 -29.4418 1.00000
62 -29.4360 1.00000
63 -29.4360 1.00000
64 -29.4359 1.00000
65 -14.1595 1.00000
66 -14.0653 1.00000
67 -13.8560 1.00000
68 -13.8560 1.00000
69 -13.8135 1.00000
70 -13.8135 1.00000
71 -13.4613 1.00000
72 -13.3927 1.00000
73 -13.3761 1.00000
74 -13.3496 1.00000
75 -13.2774 1.00000
76 -13.2520 1.00000
77 -13.1572 1.00000
78 -13.1572 1.00000
79 -13.1505 1.00000
80 -13.1505 1.00000
81 -13.1304 1.00000
82 -13.1304 1.00000
83 -13.0941 1.00000
84 -13.0941 1.00000
85 -13.0916 1.00000
86 -13.0543 1.00000
87 -13.0149 1.00000
88 -12.9701 1.00000
89 -12.9128 1.00000
90 -12.9022 1.00000
91 -12.8898 1.00000
92 -12.8898 1.00000
93 -12.8721 1.00000
94 -12.8721 1.00000
95 -12.8159 1.00000
96 -12.7972 1.00000
97 -1.4436 1.00000
98 -1.4303 1.00000
99 -1.4303 1.00000
100 -1.4290 1.00000
101 -1.4038 1.00000
102 -1.4038 1.00000
103 -1.3301 1.00000
104 -1.2889 1.00000
105 -0.9206 1.00000
106 -0.9204 1.00000
107 -0.7954 1.00000
108 -0.7954 1.00000
109 -0.7945 1.00000
110 -0.7914 1.00000
111 -0.7914 1.00000
112 -0.7854 1.00000
113 -0.6837 1.00000
114 -0.5853 1.00000
115 -0.5853 1.00000
116 -0.5824 1.00000
117 -0.5208 1.00000
118 -0.4893 1.00000
119 -0.4782 1.00000
120 -0.4427 1.00000
121 -0.4427 1.00000
122 -0.4389 1.00000
123 -0.4058 1.00000
124 -0.4058 1.00000
125 -0.3983 1.00000
126 -0.3983 1.00000
127 -0.3236 1.00000
128 -0.2953 1.00000
129 -0.1737 1.00000
130 -0.1709 1.00000
131 -0.1209 1.00000
132 -0.0872 1.00000
133 -0.0755 1.00000
134 -0.0755 1.00000
135 -0.0453 1.00000
136 -0.0453 1.00000
137 -0.0153 1.00000
138 0.1009 1.00000
139 0.4576 1.00000
140 0.5211 1.00000
141 0.5309 1.00000
142 0.5309 1.00000
143 0.6397 1.00000
144 0.6397 1.00000
145 0.7803 1.00000
146 0.8079 1.00000
147 0.9471 1.00000
148 0.9471 1.00000
149 1.0201 1.00000
150 1.0201 1.00000
151 1.1525 1.00000
152 1.2054 1.00000
153 1.3405 1.00000
154 1.3405 1.00000
155 1.3615 1.00000
156 1.3615 1.00000
157 1.3705 1.00000
158 1.4080 1.00000
159 1.6227 1.00000
160 1.6363 1.00000
161 1.7317 1.00000
162 1.7317 1.00000
163 1.7454 1.00000
164 1.7613 1.00000
165 1.8235 1.00000
166 1.8235 1.00000
167 1.8358 1.00000
168 1.8528 1.00000
169 1.9654 1.00000
170 1.9654 1.00000
171 1.9734 1.00000
172 1.9734 1.00000
173 2.0436 1.00000
174 2.1344 1.00000
175 2.3611 1.00000
176 2.3803 1.00000
177 2.4301 1.00000
178 2.4626 1.00000
179 2.4883 1.00000
180 2.4883 1.00000
181 2.5012 1.00000
182 2.5012 1.00000
183 2.6504 1.00000
184 2.6542 1.00000
185 2.6542 1.00000
186 2.6544 1.00000
187 2.6544 1.00000
188 2.7018 1.00000
189 2.7614 1.00000
190 2.8007 1.00000
191 2.9636 1.00000
192 2.9709 1.00000
193 5.8195 0.00000
194 5.8297 0.00000
195 5.9491 0.00000
196 5.9631 0.00000
197 6.1405 0.00000
198 6.1405 0.00000
199 6.1494 0.00000
200 6.1494 0.00000
201 6.2710 0.00000
202 6.2937 0.00000
203 6.2968 0.00000
204 6.2968 0.00000
205 6.3104 0.00000
206 6.3104 0.00000
207 6.4341 0.00000
208 6.4779 0.00000
209 6.5104 0.00000
210 6.5112 0.00000
211 6.5345 0.00000
212 6.5866 0.00000
213 6.5866 0.00000
214 6.5887 0.00000
215 6.5948 0.00000
216 6.5948 0.00000
217 6.6586 0.00000
218 6.6677 0.00000
219 6.6720 0.00000
220 6.6999 0.00000
221 6.7060 0.00000
222 6.7060 0.00000
223 6.7205 0.00000
224 6.7205 0.00000
225 6.8847 0.00000
226 6.8930 0.00000
227 6.9340 0.00000
228 6.9664 0.00000
229 7.0506 0.00000
230 7.0506 0.00000
231 7.0923 0.00000
232 7.0923 0.00000
233 7.3184 0.00000
234 7.3184 0.00000
235 7.3525 0.00000
236 7.3525 0.00000
237 7.5873 0.00000
238 7.6071 0.00000
239 7.6510 0.00000
240 7.6828 0.00000
241 8.2146 0.00000
242 8.2337 0.00000
243 8.5061 0.00000
244 8.5061 0.00000
245 8.5101 0.00000
246 8.5101 0.00000
247 8.7450 0.00000
248 8.8177 0.00000
249 8.9204 0.00000
250 8.9833 0.00000
251 8.9954 0.00000
252 9.0018 0.00000
253 9.2893 0.00000
254 9.2919 0.00000
255 9.3897 0.00000
256 9.4017 0.00000
k-point 17 : 0.4167 0.2500 0.4167
band No. band energies occupation
1 -53.3331 1.00000
2 -53.3308 1.00000
3 -53.3291 1.00000
4 -53.3275 1.00000
5 -53.3265 1.00000
6 -53.3242 1.00000
7 -53.3238 1.00000
8 -53.3217 1.00000
9 -53.3056 1.00000
10 -53.3041 1.00000
11 -53.3034 1.00000
12 -53.3027 1.00000
13 -53.3022 1.00000
14 -53.3018 1.00000
15 -53.2993 1.00000
16 -53.2981 1.00000
17 -29.7411 1.00000
18 -29.7409 1.00000
19 -29.7385 1.00000
20 -29.7358 1.00000
21 -29.7310 1.00000
22 -29.7297 1.00000
23 -29.7198 1.00000
24 -29.7118 1.00000
25 -29.6846 1.00000
26 -29.6786 1.00000
27 -29.6700 1.00000
28 -29.6645 1.00000
29 -29.6412 1.00000
30 -29.6344 1.00000
31 -29.6168 1.00000
32 -29.6088 1.00000
33 -29.5943 1.00000
34 -29.5941 1.00000
35 -29.5847 1.00000
36 -29.5837 1.00000
37 -29.5727 1.00000
38 -29.5723 1.00000
39 -29.5698 1.00000
40 -29.5697 1.00000
41 -29.5592 1.00000
42 -29.5582 1.00000
43 -29.5437 1.00000
44 -29.5427 1.00000
45 -29.5224 1.00000
46 -29.5207 1.00000
47 -29.5122 1.00000
48 -29.5090 1.00000
49 -29.4801 1.00000
50 -29.4788 1.00000
51 -29.4752 1.00000
52 -29.4751 1.00000
53 -29.4745 1.00000
54 -29.4715 1.00000
55 -29.4714 1.00000
56 -29.4672 1.00000
57 -29.4535 1.00000
58 -29.4482 1.00000
59 -29.4417 1.00000
60 -29.4408 1.00000
61 -29.4378 1.00000
62 -29.4356 1.00000
63 -29.4336 1.00000
64 -29.4335 1.00000
65 -14.0567 1.00000
66 -13.9701 1.00000
67 -13.9451 1.00000
68 -13.8761 1.00000
69 -13.7156 1.00000
70 -13.6707 1.00000
71 -13.5458 1.00000
72 -13.4984 1.00000
73 -13.3864 1.00000
74 -13.3076 1.00000
75 -13.2732 1.00000
76 -13.2322 1.00000
77 -13.2106 1.00000
78 -13.2088 1.00000
79 -13.1878 1.00000
80 -13.1710 1.00000
81 -13.1328 1.00000
82 -13.1171 1.00000
83 -13.1080 1.00000
84 -13.0797 1.00000
85 -13.0519 1.00000
86 -13.0473 1.00000
87 -12.9773 1.00000
88 -12.9737 1.00000
89 -12.9654 1.00000
90 -12.9371 1.00000
91 -12.9264 1.00000
92 -12.8959 1.00000
93 -12.8732 1.00000
94 -12.8533 1.00000
95 -12.8459 1.00000
96 -12.8239 1.00000
97 -1.4391 1.00000
98 -1.4323 1.00000
99 -1.4253 1.00000
100 -1.4105 1.00000
101 -1.3755 1.00000
102 -1.3572 1.00000
103 -1.2855 1.00000
104 -1.2486 1.00000
105 -1.1674 1.00000
106 -1.1580 1.00000
107 -1.0890 1.00000
108 -1.0717 1.00000
109 -0.8222 1.00000
110 -0.8148 1.00000
111 -0.8083 1.00000
112 -0.8039 1.00000
113 -0.6419 1.00000
114 -0.6079 1.00000
115 -0.5751 1.00000
116 -0.5644 1.00000
117 -0.4706 1.00000
118 -0.4515 1.00000
119 -0.4428 1.00000
120 -0.4244 1.00000
121 -0.3688 1.00000
122 -0.3614 1.00000
123 -0.3579 1.00000
124 -0.3349 1.00000
125 -0.2956 1.00000
126 -0.2939 1.00000
127 -0.2740 1.00000
128 -0.2688 1.00000
129 -0.1315 1.00000
130 -0.0997 1.00000
131 -0.0995 1.00000
132 -0.0608 1.00000
133 -0.0007 1.00000
134 0.1225 1.00000
135 0.2278 1.00000
136 0.3436 1.00000
137 0.3513 1.00000
138 0.3536 1.00000
139 0.5125 1.00000
140 0.5356 1.00000
141 0.5539 1.00000
142 0.5842 1.00000
143 0.6045 1.00000
144 0.6218 1.00000
145 0.6258 1.00000
146 0.7101 1.00000
147 0.7456 1.00000
148 0.7489 1.00000
149 1.0436 1.00000
150 1.0464 1.00000
151 1.0696 1.00000
152 1.1657 1.00000
153 1.1841 1.00000
154 1.1892 1.00000
155 1.2541 1.00000
156 1.3834 1.00000
157 1.4097 1.00000
158 1.4472 1.00000
159 1.4579 1.00000
160 1.5112 1.00000
161 1.5294 1.00000
162 1.5395 1.00000
163 1.6596 1.00000
164 1.6887 1.00000
165 1.7101 1.00000
166 1.7160 1.00000
167 1.8404 1.00000
168 1.8673 1.00000
169 2.0548 1.00000
170 2.0939 1.00000
171 2.1494 1.00000
172 2.1642 1.00000
173 2.1722 1.00000
174 2.2072 1.00000
175 2.2553 1.00000
176 2.2998 1.00000
177 2.4704 1.00000
178 2.4861 1.00000
179 2.4891 1.00000
180 2.5019 1.00000
181 2.5171 1.00000
182 2.5182 1.00000
183 2.5403 1.00000
184 2.5743 1.00000
185 2.7233 1.00000
186 2.7353 1.00000
187 2.7494 1.00000
188 2.7978 1.00000
189 2.8077 1.00000
190 2.8225 1.00000
191 2.9168 1.00000
192 2.9342 1.00000
193 5.9660 0.00000
194 5.9795 0.00000
195 6.0489 0.00000
196 6.0510 0.00000
197 6.0939 0.00000
198 6.1122 0.00000
199 6.1492 0.00000
200 6.1501 0.00000
201 6.1597 0.00000
202 6.1671 0.00000
203 6.2612 0.00000
204 6.2697 0.00000
205 6.2722 0.00000
206 6.2725 0.00000
207 6.3388 0.00000
208 6.3668 0.00000
209 6.3680 0.00000
210 6.4248 0.00000
211 6.4860 0.00000
212 6.4965 0.00000
213 6.5340 0.00000
214 6.5684 0.00000
215 6.5871 0.00000
216 6.5927 0.00000
217 6.6531 0.00000
218 6.6539 0.00000
219 6.6621 0.00000
220 6.6731 0.00000
221 6.6814 0.00000
222 6.6849 0.00000
223 6.6852 0.00000
224 6.7128 0.00000
225 6.7308 0.00000
226 6.7538 0.00000
227 6.7885 0.00000
228 6.8185 0.00000
229 7.0461 0.00000
230 7.0723 0.00000
231 7.1851 0.00000
232 7.1950 0.00000
233 7.2257 0.00000
234 7.2258 0.00000
235 7.3352 0.00000
236 7.3869 0.00000
237 7.3870 0.00000
238 7.4146 0.00000
239 7.4864 0.00000
240 7.5302 0.00000
241 8.3208 0.00000
242 8.3326 0.00000
243 8.4094 0.00000
244 8.4168 0.00000
245 8.6931 0.00000
246 8.6971 0.00000
247 8.8381 0.00000
248 8.8462 0.00000
249 8.9897 0.00000
250 9.0810 0.00000
251 9.1611 0.00000
252 9.1983 0.00000
253 9.2561 0.00000
254 9.2715 0.00000
255 9.3584 0.00000
256 9.3823 0.00000
k-point 18 : 0.4167 0.4167 0.4167
band No. band energies occupation
1 -53.3313 1.00000
2 -53.3289 1.00000
3 -53.3289 1.00000
4 -53.3275 1.00000
5 -53.3265 1.00000
6 -53.3257 1.00000
7 -53.3257 1.00000
8 -53.3236 1.00000
9 -53.3046 1.00000
10 -53.3035 1.00000
11 -53.3035 1.00000
12 -53.3028 1.00000
13 -53.3017 1.00000
14 -53.3003 1.00000
15 -53.3003 1.00000
16 -53.2990 1.00000
17 -29.7402 1.00000
18 -29.7391 1.00000
19 -29.7391 1.00000
20 -29.7371 1.00000
21 -29.7258 1.00000
22 -29.7220 1.00000
23 -29.7220 1.00000
24 -29.7157 1.00000
25 -29.6688 1.00000
26 -29.6610 1.00000
27 -29.6522 1.00000
28 -29.6522 1.00000
29 -29.6444 1.00000
30 -29.6444 1.00000
31 -29.6318 1.00000
32 -29.6230 1.00000
33 -29.5912 1.00000
34 -29.5907 1.00000
35 -29.5838 1.00000
36 -29.5838 1.00000
37 -29.5825 1.00000
38 -29.5825 1.00000
39 -29.5806 1.00000
40 -29.5787 1.00000
41 -29.5484 1.00000
42 -29.5468 1.00000
43 -29.5349 1.00000
44 -29.5349 1.00000
45 -29.5329 1.00000
46 -29.5329 1.00000
47 -29.5233 1.00000
48 -29.5204 1.00000
49 -29.4796 1.00000
50 -29.4778 1.00000
51 -29.4778 1.00000
52 -29.4751 1.00000
53 -29.4742 1.00000
54 -29.4727 1.00000
55 -29.4727 1.00000
56 -29.4699 1.00000
57 -29.4482 1.00000
58 -29.4443 1.00000
59 -29.4443 1.00000
60 -29.4420 1.00000
61 -29.4341 1.00000
62 -29.4326 1.00000
63 -29.4326 1.00000
64 -29.4318 1.00000
65 -13.9427 1.00000
66 -13.8595 1.00000
67 -13.8167 1.00000
68 -13.8167 1.00000
69 -13.7464 1.00000
70 -13.7464 1.00000
71 -13.6688 1.00000
72 -13.6025 1.00000
73 -13.3292 1.00000
74 -13.2531 1.00000
75 -13.2404 1.00000
76 -13.2404 1.00000
77 -13.1906 1.00000
78 -13.1786 1.00000
79 -13.1786 1.00000
80 -13.1761 1.00000
81 -13.1528 1.00000
82 -13.1338 1.00000
83 -13.1159 1.00000
84 -13.1159 1.00000
85 -13.0992 1.00000
86 -13.0992 1.00000
87 -13.0399 1.00000
88 -13.0247 1.00000
89 -12.9490 1.00000
90 -12.9102 1.00000
91 -12.9065 1.00000
92 -12.9065 1.00000
93 -12.8747 1.00000
94 -12.8747 1.00000
95 -12.8747 1.00000
96 -12.8448 1.00000
97 -1.4237 1.00000
98 -1.4135 1.00000
99 -1.3770 1.00000
100 -1.3770 1.00000
101 -1.3716 1.00000
102 -1.3716 1.00000
103 -1.2599 1.00000
104 -1.2224 1.00000
105 -1.2205 1.00000
106 -1.2177 1.00000
107 -1.0931 1.00000
108 -1.0931 1.00000
109 -1.0707 1.00000
110 -1.0707 1.00000
111 -1.0528 1.00000
112 -1.0242 1.00000
113 -0.5944 1.00000
114 -0.5741 1.00000
115 -0.5741 1.00000
116 -0.5736 1.00000
117 -0.4218 1.00000
118 -0.3909 1.00000
119 -0.3909 1.00000
120 -0.3752 1.00000
121 -0.2933 1.00000
122 -0.2830 1.00000
123 -0.2830 1.00000
124 -0.2701 1.00000
125 -0.2314 1.00000
126 -0.2282 1.00000
127 -0.2282 1.00000
128 -0.2076 1.00000
129 0.0130 1.00000
130 0.1211 1.00000
131 0.1967 1.00000
132 0.1967 1.00000
133 0.2544 1.00000
134 0.2544 1.00000
135 0.3614 1.00000
136 0.3724 1.00000
137 0.3982 1.00000
138 0.4194 1.00000
139 0.4992 1.00000
140 0.4992 1.00000
141 0.5314 1.00000
142 0.5314 1.00000
143 0.6100 1.00000
144 0.6783 1.00000
145 0.6799 1.00000
146 0.6942 1.00000
147 0.8624 1.00000
148 0.8624 1.00000
149 0.9180 1.00000
150 0.9180 1.00000
151 0.9489 1.00000
152 0.9709 1.00000
153 1.1079 1.00000
154 1.1688 1.00000
155 1.1910 1.00000
156 1.1910 1.00000
157 1.2265 1.00000
158 1.2265 1.00000
159 1.3024 1.00000
160 1.3738 1.00000
161 1.5352 1.00000
162 1.5984 1.00000
163 1.6071 1.00000
164 1.6071 1.00000
165 1.7012 1.00000
166 1.7012 1.00000
167 1.7022 1.00000
168 1.8410 1.00000
169 2.1323 1.00000
170 2.1650 1.00000
171 2.1650 1.00000
172 2.2279 1.00000
173 2.2279 1.00000
174 2.2533 1.00000
175 2.2954 1.00000
176 2.3659 1.00000
177 2.4065 1.00000
178 2.4332 1.00000
179 2.4484 1.00000
180 2.4484 1.00000
181 2.4664 1.00000
182 2.4903 1.00000
183 2.5083 1.00000
184 2.5083 1.00000
185 2.8429 1.00000
186 2.8709 1.00000
187 2.8709 1.00000
188 2.8740 1.00000
189 2.8740 1.00000
190 2.8842 1.00000
191 2.9196 1.00000
192 2.9387 1.00000
193 5.9900 0.00000
194 6.0046 0.00000
195 6.0190 0.00000
196 6.0190 0.00000
197 6.0357 0.00000
198 6.0357 0.00000
199 6.0578 0.00000
200 6.0755 0.00000
201 6.2511 0.00000
202 6.2675 0.00000
203 6.2675 0.00000
204 6.2896 0.00000
205 6.2896 0.00000
206 6.2918 0.00000
207 6.3091 0.00000
208 6.3212 0.00000
209 6.3719 0.00000
210 6.3897 0.00000
211 6.4233 0.00000
212 6.4539 0.00000
213 6.4539 0.00000
214 6.4889 0.00000
215 6.4889 0.00000
216 6.5230 0.00000
217 6.6205 0.00000
218 6.6209 0.00000
219 6.6210 0.00000
220 6.6283 0.00000
221 6.6283 0.00000
222 6.6400 0.00000
223 6.6402 0.00000
224 6.6402 0.00000
225 6.7963 0.00000
226 6.8307 0.00000
227 6.9533 0.00000
228 6.9533 0.00000
229 6.9967 0.00000
230 6.9967 0.00000
231 7.0012 0.00000
232 7.0734 0.00000
233 7.1690 0.00000
234 7.1698 0.00000
235 7.1698 0.00000
236 7.2052 0.00000
237 7.2331 0.00000
238 7.2331 0.00000
239 7.3179 0.00000
240 7.3765 0.00000
241 8.4693 0.00000
242 8.4723 0.00000
243 8.5807 0.00000
244 8.5807 0.00000
245 8.5818 0.00000
246 8.5818 0.00000
247 8.7089 0.00000
248 8.7139 0.00000
249 9.1581 0.00000
250 9.2660 0.00000
251 9.2866 0.00000
252 9.2867 0.00000
253 9.3838 0.00000
254 9.4079 0.00000
255 9.4101 0.00000
256 9.5115 0.00000
spin component 2
k-point 1 : 0.0833 0.0833 0.0833
band No. band energies occupation
1 -53.3418 1.00000
2 -53.3289 1.00000
3 -53.3289 1.00000
4 -53.3257 1.00000
5 -53.3257 1.00000
6 -53.3200 1.00000
7 -53.3160 1.00000
8 -53.3133 1.00000
9 -53.3131 1.00000
10 -53.3122 1.00000
11 -53.3093 1.00000
12 -53.3036 1.00000
13 -53.3036 1.00000
14 -53.3003 1.00000
15 -53.3003 1.00000
16 -53.2914 1.00000
17 -29.7655 1.00000
18 -29.7515 1.00000
19 -29.7515 1.00000
20 -29.7383 1.00000
21 -29.7383 1.00000
22 -29.7378 1.00000
23 -29.7279 1.00000
24 -29.7259 1.00000
25 -29.7169 1.00000
26 -29.6543 1.00000
27 -29.6543 1.00000
28 -29.6518 1.00000
29 -29.6518 1.00000
30 -29.6216 1.00000
31 -29.5983 1.00000
32 -29.5959 1.00000
33 -29.5934 1.00000
34 -29.5908 1.00000
35 -29.5859 1.00000
36 -29.5697 1.00000
37 -29.5608 1.00000
38 -29.5608 1.00000
39 -29.5604 1.00000
40 -29.5584 1.00000
41 -29.5584 1.00000
42 -29.5545 1.00000
43 -29.5525 1.00000
44 -29.5395 1.00000
45 -29.5395 1.00000
46 -29.5379 1.00000
47 -29.5379 1.00000
48 -29.4904 1.00000
49 -29.4888 1.00000
50 -29.4776 1.00000
51 -29.4776 1.00000
52 -29.4749 1.00000
53 -29.4749 1.00000
54 -29.4689 1.00000
55 -29.4689 1.00000
56 -29.4580 1.00000
57 -29.4511 1.00000
58 -29.4497 1.00000
59 -29.4421 1.00000
60 -29.4418 1.00000
61 -29.4418 1.00000
62 -29.4318 1.00000
63 -29.4318 1.00000
64 -29.4192 1.00000
65 -14.3858 1.00000
66 -13.9233 1.00000
67 -13.9041 1.00000
68 -13.9041 1.00000
69 -13.8532 1.00000
70 -13.8532 1.00000
71 -13.7857 1.00000
72 -13.3952 1.00000
73 -13.3191 1.00000
74 -13.2194 1.00000
75 -13.1901 1.00000
76 -13.1885 1.00000
77 -13.1885 1.00000
78 -13.1787 1.00000
79 -13.1787 1.00000
80 -13.1652 1.00000
81 -13.1229 1.00000
82 -13.1047 1.00000
83 -13.0399 1.00000
84 -13.0286 1.00000
85 -13.0286 1.00000
86 -12.9693 1.00000
87 -12.9693 1.00000
88 -12.9514 1.00000
89 -12.9175 1.00000
90 -12.9175 1.00000
91 -12.9095 1.00000
92 -12.9095 1.00000
93 -12.8334 1.00000
94 -12.8111 1.00000
95 -12.8058 1.00000
96 -12.7800 1.00000
97 -1.3397 1.00000
98 -1.3397 1.00000
99 -1.3136 1.00000
100 -1.2669 1.00000
101 -1.2602 1.00000
102 -1.1771 1.00000
103 -1.1771 1.00000
104 -1.1134 1.00000
105 -1.0537 1.00000
106 -1.0317 1.00000
107 -1.0317 1.00000
108 -0.8756 1.00000
109 -0.8281 1.00000
110 -0.7974 1.00000
111 -0.7861 1.00000
112 -0.7861 1.00000
113 -0.7058 1.00000
114 -0.6565 1.00000
115 -0.6372 1.00000
116 -0.6115 1.00000
117 -0.5976 1.00000
118 -0.5784 1.00000
119 -0.5784 1.00000
120 -0.5520 1.00000
121 -0.5520 1.00000
122 -0.5471 1.00000
123 -0.5471 1.00000
124 -0.5321 1.00000
125 -0.5321 1.00000
126 -0.5052 1.00000
127 -0.4914 1.00000
128 -0.4902 1.00000
129 -0.4577 1.00000
130 -0.4340 1.00000
131 -0.4295 1.00000
132 -0.2397 1.00000
133 0.0755 1.00000
134 0.0755 1.00000
135 0.1491 1.00000
136 0.1491 1.00000
137 0.4411 1.00000
138 0.4507 1.00000
139 0.4731 1.00000
140 0.4731 1.00000
141 0.5652 1.00000
142 0.6361 1.00000
143 0.7628 1.00000
144 0.7628 1.00000
145 0.9645 1.00000
146 0.9898 1.00000
147 0.9898 1.00000
148 1.0978 1.00000
149 1.0978 1.00000
150 1.1138 1.00000
151 1.1290 1.00000
152 1.1477 1.00000
153 1.1522 1.00000
154 1.1522 1.00000
155 1.1688 1.00000
156 1.1719 1.00000
157 1.2213 1.00000
158 1.2565 1.00000
159 1.2565 1.00000
160 1.2809 1.00000
161 1.4438 1.00000
162 1.8412 1.00000
163 1.8485 1.00000
164 1.8680 1.00000
165 1.8680 1.00000
166 1.8680 1.00000
167 1.9145 1.00000
168 1.9675 1.00000
169 1.9675 1.00000
170 2.1663 1.00000
171 2.1663 1.00000
172 2.2081 1.00000
173 2.2081 1.00000
174 2.2265 1.00000
175 2.2265 1.00000
176 2.2397 1.00000
177 2.2397 1.00000
178 2.2857 1.00000
179 2.2880 1.00000
180 2.3267 1.00000
181 2.3267 1.00000
182 2.3578 1.00000
183 2.3578 1.00000
184 2.3676 1.00000
185 2.6367 1.00000
186 2.7476 1.00000
187 2.9683 1.00000
188 2.9760 1.00000
189 3.0105 1.00000
190 3.0735 1.00000
191 3.0956 1.00000
192 3.1391 1.00000
193 5.3080 0.00000
194 5.5573 0.00000
195 5.6371 0.00000
196 5.9072 0.00000
197 6.2842 0.00000
198 6.3382 0.00000
199 6.3382 0.00000
200 6.3395 0.00000
201 6.3484 0.00000
202 6.3484 0.00000
203 6.3514 0.00000
204 6.4118 0.00000
205 6.4482 0.00000
206 6.4482 0.00000
207 6.4794 0.00000
208 6.4794 0.00000
209 6.5855 0.00000
210 6.5855 0.00000
211 6.6071 0.00000
212 6.6071 0.00000
213 6.6745 0.00000
214 6.6745 0.00000
215 6.7059 0.00000
216 6.7059 0.00000
217 6.7240 0.00000
218 6.7612 0.00000
219 6.7633 0.00000
220 6.7764 0.00000
221 6.7962 0.00000
222 6.8425 0.00000
223 6.9275 0.00000
224 6.9665 0.00000
225 7.0342 0.00000
226 7.0515 0.00000
227 7.2104 0.00000
228 7.2115 0.00000
229 7.2774 0.00000
230 7.2774 0.00000
231 7.3454 0.00000
232 7.3454 0.00000
233 7.4232 0.00000
234 7.4232 0.00000
235 7.4584 0.00000
236 7.4584 0.00000
237 7.8267 0.00000
238 7.8527 0.00000
239 7.8528 0.00000
240 7.8837 0.00000
241 7.9759 0.00000
242 8.0674 0.00000
243 8.1211 0.00000
244 8.2356 0.00000
245 8.3636 0.00000
246 8.3636 0.00000
247 8.3850 0.00000
248 8.3850 0.00000
249 8.3937 0.00000
250 8.7514 0.00000
251 8.9334 0.00000
252 9.0589 0.00000
253 9.0654 0.00000
254 9.0830 0.00000
255 9.0937 0.00000
256 9.3023 0.00000
k-point 2 : 0.2500 0.0833 0.0833
band No. band energies occupation
1 -53.3406 1.00000
2 -53.3323 1.00000
3 -53.3278 1.00000
4 -53.3246 1.00000
5 -53.3229 1.00000
6 -53.3197 1.00000
7 -53.3194 1.00000
8 -53.3162 1.00000
9 -53.3131 1.00000
10 -53.3096 1.00000
11 -53.3069 1.00000
12 -53.3064 1.00000
13 -53.3041 1.00000
14 -53.3009 1.00000
15 -53.2974 1.00000
16 -53.2920 1.00000
17 -29.7648 1.00000
18 -29.7585 1.00000
19 -29.7506 1.00000
20 -29.7439 1.00000
21 -29.7376 1.00000
22 -29.7323 1.00000
23 -29.7178 1.00000
24 -29.7104 1.00000
25 -29.7017 1.00000
26 -29.6603 1.00000
27 -29.6567 1.00000
28 -29.6471 1.00000
29 -29.6390 1.00000
30 -29.6356 1.00000
31 -29.6023 1.00000
32 -29.5973 1.00000
33 -29.5948 1.00000
34 -29.5854 1.00000
35 -29.5821 1.00000
36 -29.5695 1.00000
37 -29.5687 1.00000
38 -29.5686 1.00000
39 -29.5680 1.00000
40 -29.5634 1.00000
41 -29.5563 1.00000
42 -29.5532 1.00000
43 -29.5495 1.00000
44 -29.5460 1.00000
45 -29.5438 1.00000
46 -29.5393 1.00000
47 -29.5326 1.00000
48 -29.4976 1.00000
49 -29.4880 1.00000
50 -29.4806 1.00000
51 -29.4780 1.00000
52 -29.4745 1.00000
53 -29.4727 1.00000
54 -29.4692 1.00000
55 -29.4685 1.00000
56 -29.4657 1.00000
57 -29.4591 1.00000
58 -29.4518 1.00000
59 -29.4440 1.00000
60 -29.4400 1.00000
61 -29.4352 1.00000
62 -29.4301 1.00000
63 -29.4234 1.00000
64 -29.4172 1.00000
65 -14.3245 1.00000
66 -13.9859 1.00000
67 -13.8827 1.00000
68 -13.8292 1.00000
69 -13.8236 1.00000
70 -13.7713 1.00000
71 -13.7304 1.00000
72 -13.3592 1.00000
73 -13.3222 1.00000
74 -13.2923 1.00000
75 -13.2535 1.00000
76 -13.2113 1.00000
77 -13.2108 1.00000
78 -13.2019 1.00000
79 -13.1702 1.00000
80 -13.1431 1.00000
81 -13.1357 1.00000
82 -13.1330 1.00000
83 -13.0767 1.00000
84 -13.0575 1.00000
85 -13.0177 1.00000
86 -13.0161 1.00000
87 -12.9598 1.00000
88 -12.9347 1.00000
89 -12.9264 1.00000
90 -12.9099 1.00000
91 -12.8991 1.00000
92 -12.8749 1.00000
93 -12.8632 1.00000
94 -12.8459 1.00000
95 -12.8268 1.00000
96 -12.7866 1.00000
97 -1.4685 1.00000
98 -1.4185 1.00000
99 -1.3971 1.00000
100 -1.3458 1.00000
101 -1.3318 1.00000
102 -1.2792 1.00000
103 -1.1889 1.00000
104 -1.1348 1.00000
105 -1.0342 1.00000
106 -1.0305 1.00000
107 -0.8754 1.00000
108 -0.8575 1.00000
109 -0.8516 1.00000
110 -0.8053 1.00000
111 -0.7941 1.00000
112 -0.7780 1.00000
113 -0.7208 1.00000
114 -0.7153 1.00000
115 -0.6519 1.00000
116 -0.6440 1.00000
117 -0.6346 1.00000
118 -0.5893 1.00000
119 -0.5799 1.00000
120 -0.5697 1.00000
121 -0.5529 1.00000
122 -0.5364 1.00000
123 -0.4938 1.00000
124 -0.3984 1.00000
125 -0.3918 1.00000
126 -0.3805 1.00000
127 -0.3717 1.00000
128 -0.2832 1.00000
129 -0.2302 1.00000
130 -0.2120 1.00000
131 -0.1452 1.00000
132 -0.1426 1.00000
133 0.0638 1.00000
134 0.0854 1.00000
135 0.0941 1.00000
136 0.1362 1.00000
137 0.3067 1.00000
138 0.3359 1.00000
139 0.3866 1.00000
140 0.4713 1.00000
141 0.5863 1.00000
142 0.6552 1.00000
143 0.7342 1.00000
144 0.7533 1.00000
145 0.8563 1.00000
146 0.8956 1.00000
147 0.9398 1.00000
148 0.9502 1.00000
149 0.9518 1.00000
150 1.0224 1.00000
151 1.0348 1.00000
152 1.0512 1.00000
153 1.0918 1.00000
154 1.0952 1.00000
155 1.1416 1.00000
156 1.1742 1.00000
157 1.2806 1.00000
158 1.3523 1.00000
159 1.4313 1.00000
160 1.6058 1.00000
161 1.6258 1.00000
162 1.7281 1.00000
163 1.7566 1.00000
164 1.8321 1.00000
165 1.8709 1.00000
166 1.8830 1.00000
167 1.8894 1.00000
168 1.9485 1.00000
169 2.0302 1.00000
170 2.1151 1.00000
171 2.1376 1.00000
172 2.1815 1.00000
173 2.2264 1.00000
174 2.2337 1.00000
175 2.2586 1.00000
176 2.2782 1.00000
177 2.3187 1.00000
178 2.3438 1.00000
179 2.3642 1.00000
180 2.3846 1.00000
181 2.4161 1.00000
182 2.4162 1.00000
183 2.4716 1.00000
184 2.5027 1.00000
185 2.5450 1.00000
186 2.7660 1.00000
187 2.7835 1.00000
188 2.8032 1.00000
189 2.8786 1.00000
190 2.9693 1.00000
191 3.0910 1.00000
192 3.1254 1.00000
193 5.5900 0.00000
194 5.6746 0.00000
195 5.8608 0.00000
196 5.9596 0.00000
197 6.1787 0.00000
198 6.2083 0.00000
199 6.2183 0.00000
200 6.2518 0.00000
201 6.2642 0.00000
202 6.2690 0.00000
203 6.2848 0.00000
204 6.3475 0.00000
205 6.3620 0.00000
206 6.4279 0.00000
207 6.4434 0.00000
208 6.4523 0.00000
209 6.5756 0.00000
210 6.5792 0.00000
211 6.6089 0.00000
212 6.6151 0.00000
213 6.6165 0.00000
214 6.6170 0.00000
215 6.6173 0.00000
216 6.6297 0.00000
217 6.6751 0.00000
218 6.6774 0.00000
219 6.7334 0.00000
220 6.7522 0.00000
221 6.7743 0.00000
222 6.7968 0.00000
223 6.8035 0.00000
224 6.8082 0.00000
225 6.8430 0.00000
226 6.9638 0.00000
227 7.0596 0.00000
228 7.1040 0.00000
229 7.1162 0.00000
230 7.2170 0.00000
231 7.2601 0.00000
232 7.3039 0.00000
233 7.3700 0.00000
234 7.4418 0.00000
235 7.4480 0.00000
236 7.4530 0.00000
237 7.6901 0.00000
238 7.7130 0.00000
239 7.7730 0.00000
240 7.8098 0.00000
241 8.0808 0.00000
242 8.2274 0.00000
243 8.3029 0.00000
244 8.3578 0.00000
245 8.4174 0.00000
246 8.4640 0.00000
247 8.5925 0.00000
248 8.6002 0.00000
249 8.7127 0.00000
250 8.8548 0.00000
251 8.9937 0.00000
252 9.0050 0.00000
253 9.1282 0.00000
254 9.1645 0.00000
255 9.1963 0.00000
256 9.2253 0.00000
k-point 3 : 0.4167 0.0833 0.0833
band No. band energies occupation
1 -53.3385 1.00000
2 -53.3357 1.00000
3 -53.3257 1.00000
4 -53.3228 1.00000
5 -53.3224 1.00000
6 -53.3209 1.00000
7 -53.3198 1.00000
8 -53.3196 1.00000
9 -53.3120 1.00000
10 -53.3098 1.00000
11 -53.3072 1.00000
12 -53.3054 1.00000
13 -53.3040 1.00000
14 -53.3021 1.00000
15 -53.2950 1.00000
16 -53.2932 1.00000
17 -29.7636 1.00000
18 -29.7618 1.00000
19 -29.7492 1.00000
20 -29.7471 1.00000
21 -29.7364 1.00000
22 -29.7349 1.00000
23 -29.6910 1.00000
24 -29.6910 1.00000
25 -29.6837 1.00000
26 -29.6729 1.00000
27 -29.6675 1.00000
28 -29.6615 1.00000
29 -29.6334 1.00000
30 -29.6177 1.00000
31 -29.6177 1.00000
32 -29.5922 1.00000
33 -29.5917 1.00000
34 -29.5901 1.00000
35 -29.5812 1.00000
36 -29.5811 1.00000
37 -29.5726 1.00000
38 -29.5693 1.00000
39 -29.5676 1.00000
40 -29.5658 1.00000
41 -29.5580 1.00000
42 -29.5552 1.00000
43 -29.5548 1.00000
44 -29.5538 1.00000
45 -29.5424 1.00000
46 -29.5396 1.00000
47 -29.5227 1.00000
48 -29.5099 1.00000
49 -29.4861 1.00000
50 -29.4835 1.00000
51 -29.4766 1.00000
52 -29.4723 1.00000
53 -29.4719 1.00000
54 -29.4709 1.00000
55 -29.4698 1.00000
56 -29.4666 1.00000
57 -29.4661 1.00000
58 -29.4603 1.00000
59 -29.4400 1.00000
60 -29.4388 1.00000
61 -29.4307 1.00000
62 -29.4291 1.00000
63 -29.4180 1.00000
64 -29.4160 1.00000
65 -14.2186 1.00000
66 -14.0962 1.00000
67 -13.8452 1.00000
68 -13.8275 1.00000
69 -13.6782 1.00000
70 -13.6225 1.00000
71 -13.5982 1.00000
72 -13.4976 1.00000
73 -13.4364 1.00000
74 -13.4092 1.00000
75 -13.3034 1.00000
76 -13.2499 1.00000
77 -13.2376 1.00000
78 -13.1884 1.00000
79 -13.1795 1.00000
80 -13.1557 1.00000
81 -13.0817 1.00000
82 -13.0769 1.00000
83 -13.0674 1.00000
84 -13.0669 1.00000
85 -13.0287 1.00000
86 -12.9856 1.00000
87 -12.9754 1.00000
88 -12.9406 1.00000
89 -12.9119 1.00000
90 -12.9039 1.00000
91 -12.8953 1.00000
92 -12.8951 1.00000
93 -12.8737 1.00000
94 -12.8733 1.00000
95 -12.8711 1.00000
96 -12.8289 1.00000
97 -1.4027 1.00000
98 -1.3781 1.00000
99 -1.3420 1.00000
100 -1.3182 1.00000
101 -1.3136 1.00000
102 -1.2973 1.00000
103 -1.2462 1.00000
104 -1.1793 1.00000
105 -1.1228 1.00000
106 -1.1222 1.00000
107 -1.1116 1.00000
108 -1.0393 1.00000
109 -1.0321 1.00000
110 -1.0122 1.00000
111 -0.7734 1.00000
112 -0.7590 1.00000
113 -0.7511 1.00000
114 -0.7318 1.00000
115 -0.6177 1.00000
116 -0.6057 1.00000
117 -0.5999 1.00000
118 -0.5948 1.00000
119 -0.5874 1.00000
120 -0.5676 1.00000
121 -0.5657 1.00000
122 -0.5473 1.00000
123 -0.4336 1.00000
124 -0.3956 1.00000
125 -0.2813 1.00000
126 -0.2136 1.00000
127 -0.2127 1.00000
128 -0.1204 1.00000
129 -0.1185 1.00000
130 -0.0076 1.00000
131 0.1090 1.00000
132 0.1220 1.00000
133 0.1703 1.00000
134 0.1883 1.00000
135 0.2250 1.00000
136 0.3734 1.00000
137 0.3792 1.00000
138 0.4547 1.00000
139 0.5315 1.00000
140 0.5496 1.00000
141 0.5600 1.00000
142 0.6216 1.00000
143 0.6262 1.00000
144 0.6784 1.00000
145 0.7378 1.00000
146 0.7518 1.00000
147 0.8214 1.00000
148 0.9022 1.00000
149 0.9095 1.00000
150 0.9595 1.00000
151 1.0228 1.00000
152 1.0406 1.00000
153 1.0413 1.00000
154 1.0505 1.00000
155 1.1017 1.00000
156 1.1421 1.00000
157 1.2233 1.00000
158 1.2710 1.00000
159 1.2917 1.00000
160 1.2990 1.00000
161 1.6153 1.00000
162 1.6282 1.00000
163 1.6828 1.00000
164 1.7342 1.00000
165 1.7562 1.00000
166 1.8939 1.00000
167 1.9159 1.00000
168 1.9532 1.00000
169 2.0027 1.00000
170 2.0760 1.00000
171 2.1656 1.00000
172 2.2472 1.00000
173 2.2566 1.00000
174 2.2740 1.00000
175 2.3068 1.00000
176 2.3712 1.00000
177 2.3715 1.00000
178 2.4402 1.00000
179 2.4492 1.00000
180 2.4633 1.00000
181 2.5407 1.00000
182 2.5637 1.00000
183 2.5899 1.00000
184 2.5918 1.00000
185 2.6318 1.00000
186 2.6913 1.00000
187 2.7431 1.00000
188 2.7810 1.00000
189 2.8026 1.00000
190 2.8114 1.00000
191 2.9942 1.00000
192 3.0203 1.00000
193 5.8216 0.00000
194 5.9896 0.00000
195 5.9978 0.00000
196 6.0658 0.00000
197 6.1359 0.00000
198 6.1433 0.00000
199 6.1447 0.00000
200 6.1861 0.00000
201 6.1962 0.00000
202 6.2256 0.00000
203 6.2304 0.00000
204 6.2646 0.00000
205 6.2900 0.00000
206 6.3257 0.00000
207 6.3430 0.00000
208 6.3648 0.00000
209 6.3819 0.00000
210 6.4126 0.00000
211 6.4912 0.00000
212 6.5329 0.00000
213 6.5335 0.00000
214 6.5847 0.00000
215 6.5929 0.00000
216 6.6127 0.00000
217 6.6136 0.00000
218 6.6136 0.00000
219 6.6414 0.00000
220 6.6662 0.00000
221 6.7391 0.00000
222 6.7772 0.00000
223 6.7864 0.00000
224 6.8062 0.00000
225 6.8198 0.00000
226 6.8241 0.00000
227 6.9265 0.00000
228 6.9356 0.00000
229 7.2144 0.00000
230 7.2953 0.00000
231 7.3345 0.00000
232 7.3399 0.00000
233 7.3435 0.00000
234 7.4108 0.00000
235 7.4718 0.00000
236 7.4855 0.00000
237 7.5113 0.00000
238 7.5284 0.00000
239 7.6272 0.00000
240 7.6714 0.00000
241 8.1533 0.00000
242 8.2275 0.00000
243 8.2625 0.00000
244 8.3071 0.00000
245 8.7063 0.00000
246 8.7266 0.00000
247 8.7973 0.00000
248 8.8261 0.00000
249 8.8646 0.00000
250 8.8913 0.00000
251 8.9478 0.00000
252 8.9604 0.00000
253 9.0036 0.00000
254 9.0712 0.00000
255 9.0738 0.00000
256 9.3513 0.00000
k-point 4 : 0.2500 0.2500 0.0833
band No. band energies occupation
1 -53.3395 1.00000
2 -53.3312 1.00000
3 -53.3312 1.00000
4 -53.3229 1.00000
5 -53.3218 1.00000
6 -53.3218 1.00000
7 -53.3192 1.00000
8 -53.3145 1.00000
9 -53.3130 1.00000
10 -53.3119 1.00000
11 -53.3074 1.00000
12 -53.3074 1.00000
13 -53.3035 1.00000
14 -53.2980 1.00000
15 -53.2980 1.00000
16 -53.2926 1.00000
17 -29.7641 1.00000
18 -29.7576 1.00000
19 -29.7576 1.00000
20 -29.7505 1.00000
21 -29.7176 1.00000
22 -29.7174 1.00000
23 -29.7174 1.00000
24 -29.7114 1.00000
25 -29.6872 1.00000
26 -29.6551 1.00000
27 -29.6551 1.00000
28 -29.6434 1.00000
29 -29.6434 1.00000
30 -29.6427 1.00000
31 -29.6188 1.00000
32 -29.5960 1.00000
33 -29.5900 1.00000
34 -29.5826 1.00000
35 -29.5765 1.00000
36 -29.5739 1.00000
37 -29.5702 1.00000
38 -29.5702 1.00000
39 -29.5663 1.00000
40 -29.5663 1.00000
41 -29.5654 1.00000
42 -29.5600 1.00000
43 -29.5483 1.00000
44 -29.5460 1.00000
45 -29.5460 1.00000
46 -29.5378 1.00000
47 -29.5378 1.00000
48 -29.5029 1.00000
49 -29.4892 1.00000
50 -29.4817 1.00000
51 -29.4817 1.00000
52 -29.4725 1.00000
53 -29.4716 1.00000
54 -29.4716 1.00000
55 -29.4688 1.00000
56 -29.4679 1.00000
57 -29.4552 1.00000
58 -29.4516 1.00000
59 -29.4500 1.00000
60 -29.4500 1.00000
61 -29.4278 1.00000
62 -29.4219 1.00000
63 -29.4219 1.00000
64 -29.4154 1.00000
65 -14.2611 1.00000
66 -13.9084 1.00000
67 -13.9084 1.00000
68 -13.8234 1.00000
69 -13.7465 1.00000
70 -13.7465 1.00000
71 -13.6934 1.00000
72 -13.4400 1.00000
73 -13.3214 1.00000
74 -13.2675 1.00000
75 -13.2429 1.00000
76 -13.1943 1.00000
77 -13.1943 1.00000
78 -13.1878 1.00000
79 -13.1707 1.00000
80 -13.1664 1.00000
81 -13.1664 1.00000
82 -13.1302 1.00000
83 -13.1302 1.00000
84 -13.1198 1.00000
85 -13.0455 1.00000
86 -13.0455 1.00000
87 -13.0093 1.00000
88 -12.9292 1.00000
89 -12.9199 1.00000
90 -12.9199 1.00000
91 -12.9195 1.00000
92 -12.8749 1.00000
93 -12.8568 1.00000
94 -12.8527 1.00000
95 -12.8527 1.00000
96 -12.7751 1.00000
97 -1.4776 1.00000
98 -1.4602 1.00000
99 -1.4602 1.00000
100 -1.4165 1.00000
101 -1.3995 1.00000
102 -1.3562 1.00000
103 -1.3562 1.00000
104 -1.2220 1.00000
105 -0.9403 1.00000
106 -0.9105 1.00000
107 -0.8796 1.00000
108 -0.8449 1.00000
109 -0.8136 1.00000
110 -0.8136 1.00000
111 -0.8043 1.00000
112 -0.8043 1.00000
113 -0.7897 1.00000
114 -0.7897 1.00000
115 -0.7830 1.00000
116 -0.7259 1.00000
117 -0.5234 1.00000
118 -0.4787 1.00000
119 -0.4787 1.00000
120 -0.4559 1.00000
121 -0.3676 1.00000
122 -0.3676 1.00000
123 -0.3470 1.00000
124 -0.3339 1.00000
125 -0.3104 1.00000
126 -0.2117 1.00000
127 -0.2021 1.00000
128 -0.2021 1.00000
129 -0.1479 1.00000
130 -0.1465 1.00000
131 -0.0893 1.00000
132 -0.0858 1.00000
133 0.0806 1.00000
134 0.0806 1.00000
135 0.1149 1.00000
136 0.1149 1.00000
137 0.2434 1.00000
138 0.3192 1.00000
139 0.3192 1.00000
140 0.3912 1.00000
141 0.4380 1.00000
142 0.4616 1.00000
143 0.7040 1.00000
144 0.7040 1.00000
145 0.8085 1.00000
146 0.8085 1.00000
147 0.8481 1.00000
148 0.8608 1.00000
149 0.9506 1.00000
150 1.0069 1.00000
151 1.0069 1.00000
152 1.0402 1.00000
153 1.1154 1.00000
154 1.1154 1.00000
155 1.2413 1.00000
156 1.3411 1.00000
157 1.3685 1.00000
158 1.3685 1.00000
159 1.4012 1.00000
160 1.5842 1.00000
161 1.6074 1.00000
162 1.6375 1.00000
163 1.8363 1.00000
164 1.8363 1.00000
165 1.9399 1.00000
166 1.9399 1.00000
167 1.9818 1.00000
168 1.9900 1.00000
169 2.0175 1.00000
170 2.0449 1.00000
171 2.0449 1.00000
172 2.1123 1.00000
173 2.1123 1.00000
174 2.1164 1.00000
175 2.1193 1.00000
176 2.2201 1.00000
177 2.3844 1.00000
178 2.3844 1.00000
179 2.4362 1.00000
180 2.4806 1.00000
181 2.4806 1.00000
182 2.5504 1.00000
183 2.5504 1.00000
184 2.6188 1.00000
185 2.6351 1.00000
186 2.6351 1.00000
187 2.6756 1.00000
188 2.7378 1.00000
189 2.8681 1.00000
190 2.9705 1.00000
191 3.0375 1.00000
192 3.1090 1.00000
193 5.8138 0.00000
194 5.8734 0.00000
195 5.9020 0.00000
196 5.9749 0.00000
197 6.1396 0.00000
198 6.1443 0.00000
199 6.1443 0.00000
200 6.1708 0.00000
201 6.1708 0.00000
202 6.2661 0.00000
203 6.2932 0.00000
204 6.2932 0.00000
205 6.3062 0.00000
206 6.3379 0.00000
207 6.3379 0.00000
208 6.4763 0.00000
209 6.4834 0.00000
210 6.4865 0.00000
211 6.5753 0.00000
212 6.5753 0.00000
213 6.5881 0.00000
214 6.5937 0.00000
215 6.5937 0.00000
216 6.6138 0.00000
217 6.6564 0.00000
218 6.6730 0.00000
219 6.6730 0.00000
220 6.7045 0.00000
221 6.7391 0.00000
222 6.7391 0.00000
223 6.7767 0.00000
224 6.8271 0.00000
225 6.8300 0.00000
226 6.8854 0.00000
227 6.8893 0.00000
228 7.0025 0.00000
229 7.0025 0.00000
230 7.0105 0.00000
231 7.1554 0.00000
232 7.1554 0.00000
233 7.2723 0.00000
234 7.2723 0.00000
235 7.4021 0.00000
236 7.4021 0.00000
237 7.5496 0.00000
238 7.6244 0.00000
239 7.6252 0.00000
240 7.7388 0.00000
241 8.3546 0.00000
242 8.3737 0.00000
243 8.5141 0.00000
244 8.5451 0.00000
245 8.5451 0.00000
246 8.5702 0.00000
247 8.5702 0.00000
248 8.7906 0.00000
249 8.9118 0.00000
250 9.0006 0.00000
251 9.0820 0.00000
252 9.0821 0.00000
253 9.1358 0.00000
254 9.1903 0.00000
255 9.2579 0.00000
256 9.3191 0.00000
k-point 5 : 0.4167 0.2500 0.0833
band No. band energies occupation
1 -53.3374 1.00000
2 -53.3345 1.00000
3 -53.3291 1.00000
4 -53.3262 1.00000
5 -53.3198 1.00000
6 -53.3197 1.00000
7 -53.3190 1.00000
8 -53.3169 1.00000
9 -53.3123 1.00000
10 -53.3104 1.00000
11 -53.3103 1.00000
12 -53.3086 1.00000
13 -53.3010 1.00000
14 -53.2992 1.00000
15 -53.2956 1.00000
16 -53.2938 1.00000
17 -29.7628 1.00000
18 -29.7610 1.00000
19 -29.7561 1.00000
20 -29.7540 1.00000
21 -29.7169 1.00000
22 -29.7165 1.00000
23 -29.6922 1.00000
24 -29.6912 1.00000
25 -29.6710 1.00000
26 -29.6694 1.00000
27 -29.6633 1.00000
28 -29.6535 1.00000
29 -29.6448 1.00000
30 -29.6332 1.00000
31 -29.6221 1.00000
32 -29.5973 1.00000
33 -29.5905 1.00000
34 -29.5853 1.00000
35 -29.5799 1.00000
36 -29.5787 1.00000
37 -29.5720 1.00000
38 -29.5693 1.00000
39 -29.5668 1.00000
40 -29.5647 1.00000
41 -29.5632 1.00000
42 -29.5617 1.00000
43 -29.5581 1.00000
44 -29.5483 1.00000
45 -29.5464 1.00000
46 -29.5457 1.00000
47 -29.5274 1.00000
48 -29.5144 1.00000
49 -29.4880 1.00000
50 -29.4852 1.00000
51 -29.4813 1.00000
52 -29.4781 1.00000
53 -29.4696 1.00000
54 -29.4687 1.00000
55 -29.4682 1.00000
56 -29.4650 1.00000
57 -29.4621 1.00000
58 -29.4588 1.00000
59 -29.4495 1.00000
60 -29.4487 1.00000
61 -29.4229 1.00000
62 -29.4211 1.00000
63 -29.4164 1.00000
64 -29.4144 1.00000
65 -14.1509 1.00000
66 -14.0233 1.00000
67 -13.7694 1.00000
68 -13.7666 1.00000
69 -13.7448 1.00000
70 -13.6000 1.00000
71 -13.5963 1.00000
72 -13.5807 1.00000
73 -13.4084 1.00000
74 -13.3959 1.00000
75 -13.2625 1.00000
76 -13.2167 1.00000
77 -13.2064 1.00000
78 -13.1931 1.00000
79 -13.1903 1.00000
80 -13.1466 1.00000
81 -13.1396 1.00000
82 -13.1360 1.00000
83 -13.0979 1.00000
84 -13.0613 1.00000
85 -13.0407 1.00000
86 -13.0389 1.00000
87 -13.0207 1.00000
88 -12.9812 1.00000
89 -12.9800 1.00000
90 -12.9416 1.00000
91 -12.9074 1.00000
92 -12.8910 1.00000
93 -12.8884 1.00000
94 -12.8600 1.00000
95 -12.8304 1.00000
96 -12.7984 1.00000
97 -1.4567 1.00000
98 -1.4455 1.00000
99 -1.4283 1.00000
100 -1.3943 1.00000
101 -1.3895 1.00000
102 -1.3426 1.00000
103 -1.3248 1.00000
104 -1.1901 1.00000
105 -1.1703 1.00000
106 -1.1387 1.00000
107 -1.1180 1.00000
108 -1.0460 1.00000
109 -0.8972 1.00000
110 -0.8507 1.00000
111 -0.8403 1.00000
112 -0.8187 1.00000
113 -0.8101 1.00000
114 -0.8019 1.00000
115 -0.7690 1.00000
116 -0.7453 1.00000
117 -0.4626 1.00000
118 -0.4605 1.00000
119 -0.3994 1.00000
120 -0.3503 1.00000
121 -0.3125 1.00000
122 -0.2565 1.00000
123 -0.2562 1.00000
124 -0.2403 1.00000
125 -0.1979 1.00000
126 -0.1799 1.00000
127 -0.1653 1.00000
128 -0.1210 1.00000
129 -0.0841 1.00000
130 0.0646 1.00000
131 0.1200 1.00000
132 0.1467 1.00000
133 0.1571 1.00000
134 0.1744 1.00000
135 0.2512 1.00000
136 0.3551 1.00000
137 0.3789 1.00000
138 0.4214 1.00000
139 0.4292 1.00000
140 0.5048 1.00000
141 0.5048 1.00000
142 0.5385 1.00000
143 0.5451 1.00000
144 0.6238 1.00000
145 0.6421 1.00000
146 0.6531 1.00000
147 0.6836 1.00000
148 0.7474 1.00000
149 0.8331 1.00000
150 0.8375 1.00000
151 1.0882 1.00000
152 1.1407 1.00000
153 1.1485 1.00000
154 1.1585 1.00000
155 1.1673 1.00000
156 1.2313 1.00000
157 1.2837 1.00000
158 1.3464 1.00000
159 1.3708 1.00000
160 1.4265 1.00000
161 1.5002 1.00000
162 1.5331 1.00000
163 1.6026 1.00000
164 1.6757 1.00000
165 1.7779 1.00000
166 1.7936 1.00000
167 1.8772 1.00000
168 2.0279 1.00000
169 2.0401 1.00000
170 2.0625 1.00000
171 2.1061 1.00000
172 2.1167 1.00000
173 2.1245 1.00000
174 2.2502 1.00000
175 2.2919 1.00000
176 2.2971 1.00000
177 2.4272 1.00000
178 2.4553 1.00000
179 2.4741 1.00000
180 2.4939 1.00000
181 2.5142 1.00000
182 2.5507 1.00000
183 2.5948 1.00000
184 2.6373 1.00000
185 2.6762 1.00000
186 2.7691 1.00000
187 2.7749 1.00000
188 2.8502 1.00000
189 2.8536 1.00000
190 2.8724 1.00000
191 2.9580 1.00000
192 3.0203 1.00000
193 5.9557 0.00000
194 6.0099 0.00000
195 6.0563 0.00000
196 6.0700 0.00000
197 6.0738 0.00000
198 6.0826 0.00000
199 6.1420 0.00000
200 6.1663 0.00000
201 6.1697 0.00000
202 6.2030 0.00000
203 6.2189 0.00000
204 6.2446 0.00000
205 6.2529 0.00000
206 6.2558 0.00000
207 6.2670 0.00000
208 6.2969 0.00000
209 6.3148 0.00000
210 6.5045 0.00000
211 6.5182 0.00000
212 6.5272 0.00000
213 6.5336 0.00000
214 6.5694 0.00000
215 6.5735 0.00000
216 6.5840 0.00000
217 6.6108 0.00000
218 6.6256 0.00000
219 6.6762 0.00000
220 6.6763 0.00000
221 6.6773 0.00000
222 6.7015 0.00000
223 6.7066 0.00000
224 6.7548 0.00000
225 6.7717 0.00000
226 6.7721 0.00000
227 6.7980 0.00000
228 6.8544 0.00000
229 7.0128 0.00000
230 7.1134 0.00000
231 7.1138 0.00000
232 7.1566 0.00000
233 7.2562 0.00000
234 7.2715 0.00000
235 7.2901 0.00000
236 7.3313 0.00000
237 7.4169 0.00000
238 7.4640 0.00000
239 7.4657 0.00000
240 7.6021 0.00000
241 8.4261 0.00000
242 8.4632 0.00000
243 8.4831 0.00000
244 8.5198 0.00000
245 8.7263 0.00000
246 8.7429 0.00000
247 8.8077 0.00000
248 8.8675 0.00000
249 8.9139 0.00000
250 8.9835 0.00000
251 9.1035 0.00000
252 9.1367 0.00000
253 9.1921 0.00000
254 9.2084 0.00000
255 9.2924 0.00000
256 9.3449 0.00000
k-point 6 : 0.4167 0.4167 0.0833
band No. band energies occupation
1 -53.3353 1.00000
2 -53.3324 1.00000
3 -53.3324 1.00000
4 -53.3295 1.00000
5 -53.3179 1.00000
6 -53.3179 1.00000
7 -53.3178 1.00000
8 -53.3161 1.00000
9 -53.3125 1.00000
10 -53.3121 1.00000
11 -53.3113 1.00000
12 -53.3113 1.00000
13 -53.2986 1.00000
14 -53.2968 1.00000
15 -53.2968 1.00000
16 -53.2950 1.00000
17 -29.7614 1.00000
18 -29.7595 1.00000
19 -29.7595 1.00000
20 -29.7574 1.00000
21 -29.6973 1.00000
22 -29.6923 1.00000
23 -29.6923 1.00000
24 -29.6863 1.00000
25 -29.6706 1.00000
26 -29.6650 1.00000
27 -29.6650 1.00000
28 -29.6540 1.00000
29 -29.6506 1.00000
30 -29.6330 1.00000
31 -29.6330 1.00000
32 -29.6115 1.00000
33 -29.5862 1.00000
34 -29.5789 1.00000
35 -29.5775 1.00000
36 -29.5775 1.00000
37 -29.5738 1.00000
38 -29.5738 1.00000
39 -29.5727 1.00000
40 -29.5686 1.00000
41 -29.5668 1.00000
42 -29.5564 1.00000
43 -29.5564 1.00000
44 -29.5524 1.00000
45 -29.5502 1.00000
46 -29.5374 1.00000
47 -29.5374 1.00000
48 -29.5246 1.00000
49 -29.4880 1.00000
50 -29.4855 1.00000
51 -29.4855 1.00000
52 -29.4828 1.00000
53 -29.4661 1.00000
54 -29.4659 1.00000
55 -29.4659 1.00000
56 -29.4631 1.00000
57 -29.4609 1.00000
58 -29.4574 1.00000
59 -29.4574 1.00000
60 -29.4565 1.00000
61 -29.4177 1.00000
62 -29.4157 1.00000
63 -29.4157 1.00000
64 -29.4137 1.00000
65 -14.0325 1.00000
66 -13.8943 1.00000
67 -13.8943 1.00000
68 -13.7406 1.00000
69 -13.6465 1.00000
70 -13.5961 1.00000
71 -13.5961 1.00000
72 -13.5326 1.00000
73 -13.4347 1.00000
74 -13.3802 1.00000
75 -13.3802 1.00000
76 -13.3461 1.00000
77 -13.1990 1.00000
78 -13.1733 1.00000
79 -13.1392 1.00000
80 -13.1392 1.00000
81 -13.1056 1.00000
82 -13.1056 1.00000
83 -13.0831 1.00000
84 -13.0783 1.00000
85 -13.0566 1.00000
86 -13.0566 1.00000
87 -13.0507 1.00000
88 -13.0395 1.00000
89 -12.9756 1.00000
90 -12.9689 1.00000
91 -12.9689 1.00000
92 -12.9435 1.00000
93 -12.8661 1.00000
94 -12.8379 1.00000
95 -12.8379 1.00000
96 -12.8104 1.00000
97 -1.4386 1.00000
98 -1.3799 1.00000
99 -1.3799 1.00000
100 -1.3771 1.00000
101 -1.3629 1.00000
102 -1.3629 1.00000
103 -1.3438 1.00000
104 -1.2213 1.00000
105 -1.1724 1.00000
106 -1.1659 1.00000
107 -1.1324 1.00000
108 -1.1320 1.00000
109 -1.1320 1.00000
110 -1.0408 1.00000
111 -1.0408 1.00000
112 -0.9927 1.00000
113 -0.8477 1.00000
114 -0.8036 1.00000
115 -0.8036 1.00000
116 -0.7708 1.00000
117 -0.3363 1.00000
118 -0.3363 1.00000
119 -0.2922 1.00000
120 -0.2625 1.00000
121 -0.2527 1.00000
122 -0.2236 1.00000
123 -0.1181 1.00000
124 -0.1159 1.00000
125 -0.1159 1.00000
126 -0.0690 1.00000
127 -0.0690 1.00000
128 0.0566 1.00000
129 0.1704 1.00000
130 0.2345 1.00000
131 0.2865 1.00000
132 0.2865 1.00000
133 0.3117 1.00000
134 0.3117 1.00000
135 0.3471 1.00000
136 0.3913 1.00000
137 0.4686 1.00000
138 0.4810 1.00000
139 0.4810 1.00000
140 0.5149 1.00000
141 0.5156 1.00000
142 0.5237 1.00000
143 0.5269 1.00000
144 0.5407 1.00000
145 0.5407 1.00000
146 0.6133 1.00000
147 0.6133 1.00000
148 0.6477 1.00000
149 0.8276 1.00000
150 0.8790 1.00000
151 0.8790 1.00000
152 0.9571 1.00000
153 1.1368 1.00000
154 1.1716 1.00000
155 1.1716 1.00000
156 1.1838 1.00000
157 1.1968 1.00000
158 1.3040 1.00000
159 1.3140 1.00000
160 1.3140 1.00000
161 1.3673 1.00000
162 1.3673 1.00000
163 1.4771 1.00000
164 1.4903 1.00000
165 1.7312 1.00000
166 1.8251 1.00000
167 1.8251 1.00000
168 1.8961 1.00000
169 2.0581 1.00000
170 2.0590 1.00000
171 2.0920 1.00000
172 2.0920 1.00000
173 2.1753 1.00000
174 2.1807 1.00000
175 2.1807 1.00000
176 2.3817 1.00000
177 2.4424 1.00000
178 2.5329 1.00000
179 2.5329 1.00000
180 2.5519 1.00000
181 2.5720 1.00000
182 2.6565 1.00000
183 2.6565 1.00000
184 2.6947 1.00000
185 2.7819 1.00000
186 2.7819 1.00000
187 2.7985 1.00000
188 2.8971 1.00000
189 2.8971 1.00000
190 2.9067 1.00000
191 2.9304 1.00000
192 2.9803 1.00000
193 5.9941 0.00000
194 6.0189 0.00000
195 6.0189 0.00000
196 6.0307 0.00000
197 6.0788 0.00000
198 6.1120 0.00000
199 6.1120 0.00000
200 6.1299 0.00000
201 6.1546 0.00000
202 6.1856 0.00000
203 6.1888 0.00000
204 6.1888 0.00000
205 6.1925 0.00000
206 6.1925 0.00000
207 6.2245 0.00000
208 6.2253 0.00000
209 6.4320 0.00000
210 6.5114 0.00000
211 6.5218 0.00000
212 6.5218 0.00000
213 6.5248 0.00000
214 6.5400 0.00000
215 6.5529 0.00000
216 6.5529 0.00000
217 6.5566 0.00000
218 6.5834 0.00000
219 6.5834 0.00000
220 6.5886 0.00000
221 6.6536 0.00000
222 6.7199 0.00000
223 6.7199 0.00000
224 6.7223 0.00000
225 6.7538 0.00000
226 6.8405 0.00000
227 6.8405 0.00000
228 6.8642 0.00000
229 6.8869 0.00000
230 7.0348 0.00000
231 7.0348 0.00000
232 7.0870 0.00000
233 7.0875 0.00000
234 7.0875 0.00000
235 7.1662 0.00000
236 7.2373 0.00000
237 7.2471 0.00000
238 7.3205 0.00000
239 7.3205 0.00000
240 7.4620 0.00000
241 8.5522 0.00000
242 8.6412 0.00000
243 8.6412 0.00000
244 8.6667 0.00000
245 8.7546 0.00000
246 8.7546 0.00000
247 8.7588 0.00000
248 8.8395 0.00000
249 8.8991 0.00000
250 8.9770 0.00000
251 8.9770 0.00000
252 9.0621 0.00000
253 9.4321 0.00000
254 9.5208 0.00000
255 9.6229 0.00000
256 9.6881 0.00000
k-point 7 : 0.0833 0.0833 0.2500
band No. band energies occupation
1 -53.3401 1.00000
2 -53.3285 1.00000
3 -53.3285 1.00000
4 -53.3264 1.00000
5 -53.3262 1.00000
6 -53.3262 1.00000
7 -53.3157 1.00000
8 -53.3139 1.00000
9 -53.3114 1.00000
10 -53.3096 1.00000
11 -53.3069 1.00000
12 -53.3031 1.00000
13 -53.3031 1.00000
14 -53.3007 1.00000
15 -53.3007 1.00000
16 -53.2931 1.00000
17 -29.7542 1.00000
18 -29.7474 1.00000
19 -29.7474 1.00000
20 -29.7370 1.00000
21 -29.7370 1.00000
22 -29.7367 1.00000
23 -29.7300 1.00000
24 -29.7239 1.00000
25 -29.7179 1.00000
26 -29.6633 1.00000
27 -29.6612 1.00000
28 -29.6612 1.00000
29 -29.6584 1.00000
30 -29.6584 1.00000
31 -29.5987 1.00000
32 -29.5979 1.00000
33 -29.5913 1.00000
34 -29.5903 1.00000
35 -29.5745 1.00000
36 -29.5691 1.00000
37 -29.5606 1.00000
38 -29.5606 1.00000
39 -29.5588 1.00000
40 -29.5588 1.00000
41 -29.5579 1.00000
42 -29.5557 1.00000
43 -29.5323 1.00000
44 -29.5323 1.00000
45 -29.5319 1.00000
46 -29.5319 1.00000
47 -29.5259 1.00000
48 -29.4871 1.00000
49 -29.4855 1.00000
50 -29.4772 1.00000
51 -29.4772 1.00000
52 -29.4752 1.00000
53 -29.4752 1.00000
54 -29.4711 1.00000
55 -29.4708 1.00000
56 -29.4572 1.00000
57 -29.4526 1.00000
58 -29.4482 1.00000
59 -29.4432 1.00000
60 -29.4432 1.00000
61 -29.4430 1.00000
62 -29.4355 1.00000
63 -29.4355 1.00000
64 -29.4310 1.00000
65 -14.3492 1.00000
66 -14.0577 1.00000
67 -13.8971 1.00000
68 -13.8971 1.00000
69 -13.8598 1.00000
70 -13.8598 1.00000
71 -13.6549 1.00000
72 -13.4047 1.00000
73 -13.3329 1.00000
74 -13.2671 1.00000
75 -13.1878 1.00000
76 -13.1878 1.00000
77 -13.1842 1.00000
78 -13.1806 1.00000
79 -13.1806 1.00000
80 -13.1412 1.00000
81 -13.1081 1.00000
82 -13.0872 1.00000
83 -13.0459 1.00000
84 -13.0261 1.00000
85 -13.0261 1.00000
86 -12.9847 1.00000
87 -12.9847 1.00000
88 -12.9702 1.00000
89 -12.9105 1.00000
90 -12.9105 1.00000
91 -12.9027 1.00000
92 -12.9027 1.00000
93 -12.8307 1.00000
94 -12.8161 1.00000
95 -12.8000 1.00000
96 -12.7827 1.00000
97 -1.3274 1.00000
98 -1.3274 1.00000
99 -1.2853 1.00000
100 -1.2485 1.00000
101 -1.2342 1.00000
102 -1.2215 1.00000
103 -1.2215 1.00000
104 -1.1456 1.00000
105 -0.9766 1.00000
106 -0.9760 1.00000
107 -0.9760 1.00000
108 -0.9099 1.00000
109 -0.8213 1.00000
110 -0.8178 1.00000
111 -0.8178 1.00000
112 -0.7845 1.00000
113 -0.6643 1.00000
114 -0.6516 1.00000
115 -0.6282 1.00000
116 -0.6274 1.00000
117 -0.5944 1.00000
118 -0.5452 1.00000
119 -0.5452 1.00000
120 -0.5387 1.00000
121 -0.5387 1.00000
122 -0.5339 1.00000
123 -0.5339 1.00000
124 -0.5332 1.00000
125 -0.5038 1.00000
126 -0.4998 1.00000
127 -0.4998 1.00000
128 -0.4849 1.00000
129 -0.4665 1.00000
130 -0.4594 1.00000
131 -0.4279 1.00000
132 -0.2962 1.00000
133 -0.0319 1.00000
134 -0.0319 1.00000
135 -0.0246 1.00000
136 -0.0246 1.00000
137 0.2678 1.00000
138 0.3130 1.00000
139 0.4488 1.00000
140 0.4864 1.00000
141 0.6849 1.00000
142 0.6849 1.00000
143 0.9143 1.00000
144 0.9143 1.00000
145 0.9974 1.00000
146 0.9974 1.00000
147 1.0445 1.00000
148 1.0445 1.00000
149 1.1127 1.00000
150 1.1147 1.00000
151 1.1624 1.00000
152 1.1696 1.00000
153 1.1939 1.00000
154 1.1939 1.00000
155 1.2253 1.00000
156 1.2576 1.00000
157 1.2576 1.00000
158 1.2960 1.00000
159 1.3335 1.00000
160 1.5150 1.00000
161 1.5952 1.00000
162 1.6230 1.00000
163 1.6230 1.00000
164 1.7304 1.00000
165 1.7304 1.00000
166 1.7764 1.00000
167 1.8803 1.00000
168 1.9008 1.00000
169 1.9915 1.00000
170 2.1850 1.00000
171 2.1948 1.00000
172 2.2263 1.00000
173 2.2263 1.00000
174 2.2350 1.00000
175 2.2350 1.00000
176 2.2719 1.00000
177 2.2719 1.00000
178 2.2824 1.00000
179 2.2824 1.00000
180 2.3246 1.00000
181 2.4245 1.00000
182 2.4245 1.00000
183 2.4278 1.00000
184 2.4278 1.00000
185 2.7143 1.00000
186 2.7959 1.00000
187 2.9368 1.00000
188 2.9413 1.00000
189 2.9603 1.00000
190 2.9782 1.00000
191 3.0393 1.00000
192 3.0601 1.00000
193 5.3267 0.00000
194 5.4818 0.00000
195 5.7155 0.00000
196 5.8859 0.00000
197 6.2971 0.00000
198 6.2971 0.00000
199 6.3067 0.00000
200 6.3067 0.00000
201 6.3505 0.00000
202 6.3902 0.00000
203 6.4262 0.00000
204 6.4716 0.00000
205 6.4808 0.00000
206 6.4808 0.00000
207 6.4946 0.00000
208 6.4946 0.00000
209 6.6094 0.00000
210 6.6094 0.00000
211 6.6161 0.00000
212 6.6161 0.00000
213 6.6720 0.00000
214 6.6720 0.00000
215 6.6765 0.00000
216 6.6934 0.00000
217 6.6934 0.00000
218 6.7041 0.00000
219 6.7601 0.00000
220 6.7713 0.00000
221 6.7774 0.00000
222 6.7807 0.00000
223 6.8808 0.00000
224 6.9019 0.00000
225 7.0964 0.00000
226 7.0971 0.00000
227 7.2005 0.00000
228 7.2020 0.00000
229 7.2644 0.00000
230 7.2644 0.00000
231 7.3082 0.00000
232 7.3082 0.00000
233 7.4458 0.00000
234 7.4458 0.00000
235 7.4643 0.00000
236 7.4643 0.00000
237 7.8309 0.00000
238 7.8501 0.00000
239 7.8523 0.00000
240 7.8753 0.00000
241 7.9106 0.00000
242 8.0249 0.00000
243 8.1587 0.00000
244 8.3217 0.00000
245 8.3581 0.00000
246 8.3611 0.00000
247 8.3611 0.00000
248 8.3798 0.00000
249 8.3798 0.00000
250 8.6098 0.00000
251 9.0655 0.00000
252 9.0673 0.00000
253 9.0868 0.00000
254 9.0945 0.00000
255 9.1486 0.00000
256 9.3086 0.00000
k-point 8 : 0.2500 0.0833 0.2500
band No. band energies occupation
1 -53.3390 1.00000
2 -53.3314 1.00000
3 -53.3274 1.00000
4 -53.3258 1.00000
5 -53.3251 1.00000
6 -53.3247 1.00000
7 -53.3191 1.00000
8 -53.3168 1.00000
9 -53.3090 1.00000
10 -53.3069 1.00000
11 -53.3067 1.00000
12 -53.3051 1.00000
13 -53.3037 1.00000
14 -53.3013 1.00000
15 -53.2984 1.00000
16 -53.2936 1.00000
17 -29.7540 1.00000
18 -29.7522 1.00000
19 -29.7468 1.00000
20 -29.7419 1.00000
21 -29.7366 1.00000
22 -29.7331 1.00000
23 -29.7207 1.00000
24 -29.7102 1.00000
25 -29.7036 1.00000
26 -29.6695 1.00000
27 -29.6659 1.00000
28 -29.6625 1.00000
29 -29.6536 1.00000
30 -29.6449 1.00000
31 -29.5985 1.00000
32 -29.5977 1.00000
33 -29.5923 1.00000
34 -29.5821 1.00000
35 -29.5807 1.00000
36 -29.5726 1.00000
37 -29.5703 1.00000
38 -29.5689 1.00000
39 -29.5686 1.00000
40 -29.5628 1.00000
41 -29.5575 1.00000
42 -29.5562 1.00000
43 -29.5395 1.00000
44 -29.5387 1.00000
45 -29.5300 1.00000
46 -29.5274 1.00000
47 -29.5220 1.00000
48 -29.4945 1.00000
49 -29.4849 1.00000
50 -29.4794 1.00000
51 -29.4770 1.00000
52 -29.4743 1.00000
53 -29.4736 1.00000
54 -29.4713 1.00000
55 -29.4694 1.00000
56 -29.4643 1.00000
57 -29.4592 1.00000
58 -29.4512 1.00000
59 -29.4436 1.00000
60 -29.4411 1.00000
61 -29.4369 1.00000
62 -29.4335 1.00000
63 -29.4292 1.00000
64 -29.4279 1.00000
65 -14.2890 1.00000
66 -14.0074 1.00000
67 -13.9677 1.00000
68 -13.8538 1.00000
69 -13.8164 1.00000
70 -13.7781 1.00000
71 -13.6091 1.00000
72 -13.3666 1.00000
73 -13.3140 1.00000
74 -13.3077 1.00000
75 -13.2639 1.00000
76 -13.2440 1.00000
77 -13.2080 1.00000
78 -13.1955 1.00000
79 -13.1697 1.00000
80 -13.1428 1.00000
81 -13.1356 1.00000
82 -13.0848 1.00000
83 -13.0756 1.00000
84 -13.0689 1.00000
85 -13.0252 1.00000
86 -13.0140 1.00000
87 -12.9734 1.00000
88 -12.9528 1.00000
89 -12.9150 1.00000
90 -12.9033 1.00000
91 -12.8938 1.00000
92 -12.8699 1.00000
93 -12.8690 1.00000
94 -12.8496 1.00000
95 -12.8199 1.00000
96 -12.7912 1.00000
97 -1.4572 1.00000
98 -1.4026 1.00000
99 -1.3861 1.00000
100 -1.3701 1.00000
101 -1.3200 1.00000
102 -1.2586 1.00000
103 -1.2266 1.00000
104 -1.1659 1.00000
105 -0.9733 1.00000
106 -0.9641 1.00000
107 -0.8775 1.00000
108 -0.8621 1.00000
109 -0.8559 1.00000
110 -0.8303 1.00000
111 -0.7792 1.00000
112 -0.7438 1.00000
113 -0.7153 1.00000
114 -0.6685 1.00000
115 -0.6341 1.00000
116 -0.6266 1.00000
117 -0.5937 1.00000
118 -0.5904 1.00000
119 -0.5644 1.00000
120 -0.5419 1.00000
121 -0.5385 1.00000
122 -0.4946 1.00000
123 -0.4814 1.00000
124 -0.4274 1.00000
125 -0.4103 1.00000
126 -0.4043 1.00000
127 -0.3775 1.00000
128 -0.3300 1.00000
129 -0.2744 1.00000
130 -0.2658 1.00000
131 -0.1514 1.00000
132 -0.1425 1.00000
133 -0.0377 1.00000
134 -0.0338 1.00000
135 -0.0329 1.00000
136 0.0120 1.00000
137 0.1388 1.00000
138 0.2130 1.00000
139 0.5140 1.00000
140 0.5578 1.00000
141 0.5635 1.00000
142 0.5901 1.00000
143 0.7410 1.00000
144 0.8217 1.00000
145 0.8770 1.00000
146 0.9499 1.00000
147 0.9652 1.00000
148 1.0100 1.00000
149 1.0110 1.00000
150 1.0549 1.00000
151 1.1190 1.00000
152 1.1434 1.00000
153 1.1500 1.00000
154 1.1623 1.00000
155 1.1700 1.00000
156 1.2115 1.00000
157 1.3432 1.00000
158 1.3895 1.00000
159 1.4308 1.00000
160 1.5492 1.00000
161 1.6542 1.00000
162 1.7730 1.00000
163 1.8054 1.00000
164 1.8257 1.00000
165 1.8475 1.00000
166 1.8727 1.00000
167 1.8735 1.00000
168 1.8902 1.00000
169 1.9341 1.00000
170 1.9559 1.00000
171 1.9754 1.00000
172 2.1463 1.00000
173 2.2179 1.00000
174 2.2357 1.00000
175 2.2703 1.00000
176 2.3096 1.00000
177 2.3433 1.00000
178 2.3934 1.00000
179 2.4633 1.00000
180 2.4797 1.00000
181 2.5015 1.00000
182 2.5061 1.00000
183 2.5113 1.00000
184 2.5240 1.00000
185 2.5418 1.00000
186 2.7438 1.00000
187 2.7587 1.00000
188 2.8044 1.00000
189 2.8153 1.00000
190 2.8759 1.00000
191 3.0389 1.00000
192 3.0527 1.00000
193 5.5959 0.00000
194 5.6540 0.00000
195 5.8837 0.00000
196 5.9521 0.00000
197 6.1703 0.00000
198 6.2150 0.00000
199 6.2201 0.00000
200 6.2489 0.00000
201 6.2656 0.00000
202 6.2899 0.00000
203 6.3068 0.00000
204 6.3310 0.00000
205 6.4202 0.00000
206 6.4418 0.00000
207 6.4505 0.00000
208 6.4661 0.00000
209 6.5844 0.00000
210 6.5950 0.00000
211 6.5979 0.00000
212 6.6157 0.00000
213 6.6245 0.00000
214 6.6267 0.00000
215 6.6298 0.00000
216 6.6299 0.00000
217 6.6355 0.00000
218 6.6719 0.00000
219 6.7439 0.00000
220 6.7497 0.00000
221 6.7602 0.00000
222 6.7621 0.00000
223 6.7828 0.00000
224 6.7969 0.00000
225 6.8199 0.00000
226 6.9197 0.00000
227 7.0488 0.00000
228 7.0942 0.00000
229 7.1479 0.00000
230 7.2281 0.00000
231 7.2501 0.00000
232 7.2990 0.00000
233 7.3666 0.00000
234 7.4303 0.00000
235 7.4467 0.00000
236 7.4549 0.00000
237 7.7003 0.00000
238 7.7187 0.00000
239 7.7649 0.00000
240 7.7942 0.00000
241 8.0390 0.00000
242 8.1476 0.00000
243 8.2891 0.00000
244 8.3375 0.00000
245 8.4804 0.00000
246 8.5322 0.00000
247 8.5872 0.00000
248 8.5882 0.00000
249 8.6785 0.00000
250 8.7871 0.00000
251 9.0102 0.00000
252 9.0429 0.00000
253 9.1143 0.00000
254 9.1474 0.00000
255 9.1859 0.00000
256 9.3497 0.00000
k-point 9 : 0.4167 0.0833 0.2500
band No. band energies occupation
1 -53.3370 1.00000
2 -53.3344 1.00000
3 -53.3253 1.00000
4 -53.3250 1.00000
5 -53.3244 1.00000
6 -53.3229 1.00000
7 -53.3224 1.00000
8 -53.3201 1.00000
9 -53.3068 1.00000
10 -53.3067 1.00000
11 -53.3063 1.00000
12 -53.3049 1.00000
13 -53.3043 1.00000
14 -53.3025 1.00000
15 -53.2963 1.00000
16 -53.2947 1.00000
17 -29.7538 1.00000
18 -29.7536 1.00000
19 -29.7458 1.00000
20 -29.7444 1.00000
21 -29.7358 1.00000
22 -29.7349 1.00000
23 -29.7009 1.00000
24 -29.6924 1.00000
25 -29.6866 1.00000
26 -29.6824 1.00000
27 -29.6764 1.00000
28 -29.6718 1.00000
29 -29.6376 1.00000
30 -29.6230 1.00000
31 -29.6158 1.00000
32 -29.5968 1.00000
33 -29.5935 1.00000
34 -29.5932 1.00000
35 -29.5833 1.00000
36 -29.5827 1.00000
37 -29.5682 1.00000
38 -29.5671 1.00000
39 -29.5668 1.00000
40 -29.5651 1.00000
41 -29.5567 1.00000
42 -29.5563 1.00000
43 -29.5526 1.00000
44 -29.5514 1.00000
45 -29.5262 1.00000
46 -29.5225 1.00000
47 -29.5185 1.00000
48 -29.5063 1.00000
49 -29.4835 1.00000
50 -29.4816 1.00000
51 -29.4750 1.00000
52 -29.4724 1.00000
53 -29.4717 1.00000
54 -29.4714 1.00000
55 -29.4706 1.00000
56 -29.4662 1.00000
57 -29.4652 1.00000
58 -29.4588 1.00000
59 -29.4402 1.00000
60 -29.4395 1.00000
61 -29.4330 1.00000
62 -29.4320 1.00000
63 -29.4256 1.00000
64 -29.4253 1.00000
65 -14.1860 1.00000
66 -14.0692 1.00000
67 -13.9355 1.00000
68 -13.8791 1.00000
69 -13.6706 1.00000
70 -13.6298 1.00000
71 -13.5112 1.00000
72 -13.4895 1.00000
73 -13.4446 1.00000
74 -13.3608 1.00000
75 -13.3038 1.00000
76 -13.2585 1.00000
77 -13.2451 1.00000
78 -13.2143 1.00000
79 -13.1925 1.00000
80 -13.1791 1.00000
81 -13.0833 1.00000
82 -13.0792 1.00000
83 -13.0642 1.00000
84 -13.0363 1.00000
85 -13.0332 1.00000
86 -12.9722 1.00000
87 -12.9654 1.00000
88 -12.9474 1.00000
89 -12.9200 1.00000
90 -12.9089 1.00000
91 -12.8978 1.00000
92 -12.8890 1.00000
93 -12.8833 1.00000
94 -12.8728 1.00000
95 -12.8645 1.00000
96 -12.8331 1.00000
97 -1.3948 1.00000
98 -1.3679 1.00000
99 -1.3436 1.00000
100 -1.3307 1.00000
101 -1.3088 1.00000
102 -1.2684 1.00000
103 -1.2597 1.00000
104 -1.1757 1.00000
105 -1.1470 1.00000
106 -1.1342 1.00000
107 -1.1069 1.00000
108 -1.0430 1.00000
109 -0.9682 1.00000
110 -0.9676 1.00000
111 -0.8045 1.00000
112 -0.7939 1.00000
113 -0.6818 1.00000
114 -0.6752 1.00000
115 -0.6099 1.00000
116 -0.5878 1.00000
117 -0.5745 1.00000
118 -0.5740 1.00000
119 -0.5537 1.00000
120 -0.5461 1.00000
121 -0.5327 1.00000
122 -0.4989 1.00000
123 -0.4278 1.00000
124 -0.4083 1.00000
125 -0.3157 1.00000
126 -0.2549 1.00000
127 -0.2540 1.00000
128 -0.2132 1.00000
129 -0.1823 1.00000
130 -0.1219 1.00000
131 -0.0690 1.00000
132 -0.0440 1.00000
133 0.0663 1.00000
134 0.1561 1.00000
135 0.2512 1.00000
136 0.3731 1.00000
137 0.3827 1.00000
138 0.4128 1.00000
139 0.5090 1.00000
140 0.5175 1.00000
141 0.6070 1.00000
142 0.6426 1.00000
143 0.7013 1.00000
144 0.7078 1.00000
145 0.7084 1.00000
146 0.7469 1.00000
147 0.8140 1.00000
148 0.9919 1.00000
149 1.0160 1.00000
150 1.0473 1.00000
151 1.0479 1.00000
152 1.0694 1.00000
153 1.0943 1.00000
154 1.1120 1.00000
155 1.1597 1.00000
156 1.1845 1.00000
157 1.2890 1.00000
158 1.3199 1.00000
159 1.3335 1.00000
160 1.4049 1.00000
161 1.4674 1.00000
162 1.6073 1.00000
163 1.6247 1.00000
164 1.6761 1.00000
165 1.7800 1.00000
166 1.8351 1.00000
167 1.8412 1.00000
168 1.9594 1.00000
169 2.0604 1.00000
170 2.1507 1.00000
171 2.1691 1.00000
172 2.1975 1.00000
173 2.2630 1.00000
174 2.3241 1.00000
175 2.3534 1.00000
176 2.3743 1.00000
177 2.4284 1.00000
178 2.4468 1.00000
179 2.4649 1.00000
180 2.5146 1.00000
181 2.5288 1.00000
182 2.5535 1.00000
183 2.5697 1.00000
184 2.6044 1.00000
185 2.6311 1.00000
186 2.6404 1.00000
187 2.7119 1.00000
188 2.7129 1.00000
189 2.7827 1.00000
190 2.7855 1.00000
191 2.9627 1.00000
192 2.9666 1.00000
193 5.8290 0.00000
194 5.9314 0.00000
195 6.0033 0.00000
196 6.1012 0.00000
197 6.1244 0.00000
198 6.1432 0.00000
199 6.1744 0.00000
200 6.1767 0.00000
201 6.2070 0.00000
202 6.2209 0.00000
203 6.2437 0.00000
204 6.2632 0.00000
205 6.3229 0.00000
206 6.3356 0.00000
207 6.3478 0.00000
208 6.3652 0.00000
209 6.3944 0.00000
210 6.4586 0.00000
211 6.4723 0.00000
212 6.5312 0.00000
213 6.5557 0.00000
214 6.6000 0.00000
215 6.6051 0.00000
216 6.6069 0.00000
217 6.6229 0.00000
218 6.6278 0.00000
219 6.6312 0.00000
220 6.6488 0.00000
221 6.7564 0.00000
222 6.7574 0.00000
223 6.7609 0.00000
224 6.7739 0.00000
225 6.7739 0.00000
226 6.8155 0.00000
227 6.8984 0.00000
228 6.8985 0.00000
229 7.2416 0.00000
230 7.3157 0.00000
231 7.3252 0.00000
232 7.3558 0.00000
233 7.3569 0.00000
234 7.4051 0.00000
235 7.4535 0.00000
236 7.5024 0.00000
237 7.5034 0.00000
238 7.5246 0.00000
239 7.6125 0.00000
240 7.6493 0.00000
241 8.1182 0.00000
242 8.1999 0.00000
243 8.2077 0.00000
244 8.2692 0.00000
245 8.7702 0.00000
246 8.7797 0.00000
247 8.7897 0.00000
248 8.8036 0.00000
249 8.9198 0.00000
250 8.9248 0.00000
251 8.9363 0.00000
252 8.9520 0.00000
253 8.9744 0.00000
254 9.0201 0.00000
255 9.0650 0.00000
256 9.2798 0.00000
k-point 10 : 0.2500 0.2500 0.2500
band No. band energies occupation
1 -53.3379 1.00000
2 -53.3303 1.00000
3 -53.3303 1.00000
4 -53.3252 1.00000
5 -53.3237 1.00000
6 -53.3237 1.00000
7 -53.3222 1.00000
8 -53.3169 1.00000
9 -53.3094 1.00000
10 -53.3070 1.00000
11 -53.3056 1.00000
12 -53.3056 1.00000
13 -53.3041 1.00000
14 -53.2989 1.00000
15 -53.2989 1.00000
16 -53.2942 1.00000
17 -29.7538 1.00000
18 -29.7516 1.00000
19 -29.7516 1.00000
20 -29.7470 1.00000
21 -29.7248 1.00000
22 -29.7207 1.00000
23 -29.7207 1.00000
24 -29.7057 1.00000
25 -29.6899 1.00000
26 -29.6744 1.00000
27 -29.6594 1.00000
28 -29.6594 1.00000
29 -29.6488 1.00000
30 -29.6488 1.00000
31 -29.6047 1.00000
32 -29.5973 1.00000
33 -29.5957 1.00000
34 -29.5805 1.00000
35 -29.5761 1.00000
36 -29.5727 1.00000
37 -29.5717 1.00000
38 -29.5717 1.00000
39 -29.5715 1.00000
40 -29.5677 1.00000
41 -29.5677 1.00000
42 -29.5631 1.00000
43 -29.5371 1.00000
44 -29.5371 1.00000
45 -29.5336 1.00000
46 -29.5336 1.00000
47 -29.5225 1.00000
48 -29.5002 1.00000
49 -29.4859 1.00000
50 -29.4800 1.00000
51 -29.4800 1.00000
52 -29.4723 1.00000
53 -29.4723 1.00000
54 -29.4713 1.00000
55 -29.4703 1.00000
56 -29.4670 1.00000
57 -29.4588 1.00000
58 -29.4489 1.00000
59 -29.4489 1.00000
60 -29.4472 1.00000
61 -29.4307 1.00000
62 -29.4272 1.00000
63 -29.4272 1.00000
64 -29.4252 1.00000
65 -14.2264 1.00000
66 -13.9505 1.00000
67 -13.8899 1.00000
68 -13.8899 1.00000
69 -13.7725 1.00000
70 -13.7725 1.00000
71 -13.5698 1.00000
72 -13.4237 1.00000
73 -13.3276 1.00000
74 -13.2982 1.00000
75 -13.2834 1.00000
76 -13.2156 1.00000
77 -13.1718 1.00000
78 -13.1718 1.00000
79 -13.1632 1.00000
80 -13.1632 1.00000
81 -13.1366 1.00000
82 -13.1362 1.00000
83 -13.1362 1.00000
84 -13.0664 1.00000
85 -13.0630 1.00000
86 -13.0630 1.00000
87 -13.0259 1.00000
88 -12.9371 1.00000
89 -12.9224 1.00000
90 -12.9080 1.00000
91 -12.9080 1.00000
92 -12.8899 1.00000
93 -12.8592 1.00000
94 -12.8592 1.00000
95 -12.8366 1.00000
96 -12.7829 1.00000
97 -1.4635 1.00000
98 -1.4500 1.00000
99 -1.4500 1.00000
100 -1.4228 1.00000
101 -1.3759 1.00000
102 -1.3759 1.00000
103 -1.3691 1.00000
104 -1.2503 1.00000
105 -0.9147 1.00000
106 -0.9074 1.00000
107 -0.8460 1.00000
108 -0.8143 1.00000
109 -0.8006 1.00000
110 -0.8006 1.00000
111 -0.7900 1.00000
112 -0.7900 1.00000
113 -0.7831 1.00000
114 -0.7310 1.00000
115 -0.7310 1.00000
116 -0.6735 1.00000
117 -0.5499 1.00000
118 -0.4652 1.00000
119 -0.4652 1.00000
120 -0.3930 1.00000
121 -0.3904 1.00000
122 -0.3803 1.00000
123 -0.3803 1.00000
124 -0.3492 1.00000
125 -0.3325 1.00000
126 -0.2501 1.00000
127 -0.2480 1.00000
128 -0.2480 1.00000
129 -0.1644 1.00000
130 -0.1588 1.00000
131 -0.1447 1.00000
132 -0.0855 1.00000
133 -0.0332 1.00000
134 -0.0332 1.00000
135 0.0193 1.00000
136 0.0193 1.00000
137 0.0392 1.00000
138 0.2717 1.00000
139 0.4260 1.00000
140 0.4262 1.00000
141 0.4262 1.00000
142 0.5571 1.00000
143 0.7392 1.00000
144 0.7392 1.00000
145 0.7874 1.00000
146 0.8171 1.00000
147 0.8171 1.00000
148 0.8409 1.00000
149 1.0297 1.00000
150 1.0297 1.00000
151 1.0625 1.00000
152 1.2071 1.00000
153 1.2258 1.00000
154 1.2258 1.00000
155 1.2295 1.00000
156 1.3596 1.00000
157 1.3625 1.00000
158 1.3625 1.00000
159 1.4564 1.00000
160 1.6039 1.00000
161 1.6888 1.00000
162 1.7736 1.00000
163 1.7736 1.00000
164 1.8274 1.00000
165 1.8505 1.00000
166 1.9174 1.00000
167 1.9174 1.00000
168 1.9491 1.00000
169 1.9853 1.00000
170 1.9853 1.00000
171 1.9930 1.00000
172 2.0318 1.00000
173 2.0318 1.00000
174 2.0760 1.00000
175 2.2447 1.00000
176 2.3065 1.00000
177 2.4446 1.00000
178 2.4672 1.00000
179 2.4672 1.00000
180 2.4722 1.00000
181 2.4722 1.00000
182 2.5484 1.00000
183 2.6132 1.00000
184 2.6132 1.00000
185 2.6376 1.00000
186 2.6376 1.00000
187 2.6895 1.00000
188 2.7216 1.00000
189 2.8375 1.00000
190 2.8406 1.00000
191 3.0248 1.00000
192 3.0382 1.00000
193 5.8151 0.00000
194 5.8479 0.00000
195 5.9284 0.00000
196 5.9712 0.00000
197 6.1403 0.00000
198 6.1403 0.00000
199 6.1622 0.00000
200 6.1622 0.00000
201 6.1935 0.00000
202 6.2701 0.00000
203 6.2921 0.00000
204 6.2921 0.00000
205 6.3270 0.00000
206 6.3270 0.00000
207 6.3928 0.00000
208 6.4556 0.00000
209 6.4926 0.00000
210 6.5287 0.00000
211 6.5614 0.00000
212 6.5733 0.00000
213 6.5780 0.00000
214 6.5780 0.00000
215 6.5964 0.00000
216 6.5964 0.00000
217 6.6397 0.00000
218 6.6884 0.00000
219 6.6884 0.00000
220 6.7088 0.00000
221 6.7321 0.00000
222 6.7321 0.00000
223 6.7371 0.00000
224 6.7635 0.00000
225 6.8611 0.00000
226 6.8899 0.00000
227 6.9061 0.00000
228 6.9944 0.00000
229 7.0187 0.00000
230 7.0187 0.00000
231 7.1314 0.00000
232 7.1314 0.00000
233 7.2894 0.00000
234 7.2894 0.00000
235 7.3834 0.00000
236 7.3834 0.00000
237 7.5653 0.00000
238 7.6198 0.00000
239 7.6316 0.00000
240 7.7168 0.00000
241 8.2633 0.00000
242 8.2964 0.00000
243 8.5295 0.00000
244 8.5295 0.00000
245 8.5315 0.00000
246 8.5315 0.00000
247 8.6449 0.00000
248 8.8446 0.00000
249 8.8737 0.00000
250 8.9911 0.00000
251 9.0443 0.00000
252 9.0886 0.00000
253 9.1722 0.00000
254 9.1723 0.00000
255 9.3871 0.00000
256 9.4025 0.00000
k-point 11 : 0.4167 0.2500 0.2500
band No. band energies occupation
1 -53.3359 1.00000
2 -53.3333 1.00000
3 -53.3282 1.00000
4 -53.3254 1.00000
5 -53.3242 1.00000
6 -53.3235 1.00000
7 -53.3217 1.00000
8 -53.3192 1.00000
9 -53.3081 1.00000
10 -53.3071 1.00000
11 -53.3067 1.00000
12 -53.3066 1.00000
13 -53.3019 1.00000
14 -53.3001 1.00000
15 -53.2969 1.00000
16 -53.2953 1.00000
17 -29.7535 1.00000
18 -29.7531 1.00000
19 -29.7506 1.00000
20 -29.7493 1.00000
21 -29.7219 1.00000
22 -29.7209 1.00000
23 -29.7019 1.00000
24 -29.6895 1.00000
25 -29.6852 1.00000
26 -29.6729 1.00000
27 -29.6719 1.00000
28 -29.6580 1.00000
29 -29.6449 1.00000
30 -29.6270 1.00000
31 -29.6250 1.00000
32 -29.6017 1.00000
33 -29.5922 1.00000
34 -29.5913 1.00000
35 -29.5830 1.00000
36 -29.5816 1.00000
37 -29.5727 1.00000
38 -29.5725 1.00000
39 -29.5668 1.00000
40 -29.5658 1.00000
41 -29.5643 1.00000
42 -29.5599 1.00000
43 -29.5498 1.00000
44 -29.5454 1.00000
45 -29.5324 1.00000
46 -29.5267 1.00000
47 -29.5240 1.00000
48 -29.5116 1.00000
49 -29.4849 1.00000
50 -29.4828 1.00000
51 -29.4790 1.00000
52 -29.4756 1.00000
53 -29.4712 1.00000
54 -29.4710 1.00000
55 -29.4690 1.00000
56 -29.4638 1.00000
57 -29.4624 1.00000
58 -29.4562 1.00000
59 -29.4469 1.00000
60 -29.4466 1.00000
61 -29.4268 1.00000
62 -29.4258 1.00000
63 -29.4235 1.00000
64 -29.4230 1.00000
65 -14.1187 1.00000
66 -13.9962 1.00000
67 -13.8670 1.00000
68 -13.8013 1.00000
69 -13.7505 1.00000
70 -13.6259 1.00000
71 -13.5812 1.00000
72 -13.4836 1.00000
73 -13.4472 1.00000
74 -13.3426 1.00000
75 -13.2624 1.00000
76 -13.2376 1.00000
77 -13.2005 1.00000
78 -13.1778 1.00000
79 -13.1662 1.00000
80 -13.1637 1.00000
81 -13.1595 1.00000
82 -13.1513 1.00000
83 -13.0993 1.00000
84 -13.0529 1.00000
85 -13.0467 1.00000
86 -13.0324 1.00000
87 -13.0222 1.00000
88 -12.9788 1.00000
89 -12.9579 1.00000
90 -12.9536 1.00000
91 -12.9070 1.00000
92 -12.8936 1.00000
93 -12.8725 1.00000
94 -12.8695 1.00000
95 -12.8383 1.00000
96 -12.8073 1.00000
97 -1.4492 1.00000
98 -1.4381 1.00000
99 -1.4297 1.00000
100 -1.3975 1.00000
101 -1.3883 1.00000
102 -1.3379 1.00000
103 -1.3199 1.00000
104 -1.2145 1.00000
105 -1.1709 1.00000
106 -1.1465 1.00000
107 -1.1065 1.00000
108 -1.0569 1.00000
109 -0.8323 1.00000
110 -0.8143 1.00000
111 -0.8113 1.00000
112 -0.8044 1.00000
113 -0.8023 1.00000
114 -0.7629 1.00000
115 -0.6950 1.00000
116 -0.6833 1.00000
117 -0.4648 1.00000
118 -0.4493 1.00000
119 -0.3941 1.00000
120 -0.3698 1.00000
121 -0.3276 1.00000
122 -0.2785 1.00000
123 -0.2771 1.00000
124 -0.2229 1.00000
125 -0.2205 1.00000
126 -0.2136 1.00000
127 -0.1875 1.00000
128 -0.1845 1.00000
129 -0.1754 1.00000
130 -0.0551 1.00000
131 -0.0339 1.00000
132 -0.0081 1.00000
133 0.0258 1.00000
134 0.1435 1.00000
135 0.2223 1.00000
136 0.3522 1.00000
137 0.3681 1.00000
138 0.4569 1.00000
139 0.4671 1.00000
140 0.4941 1.00000
141 0.5579 1.00000
142 0.5843 1.00000
143 0.5984 1.00000
144 0.6012 1.00000
145 0.6612 1.00000
146 0.6663 1.00000
147 0.6974 1.00000
148 0.7869 1.00000
149 0.8824 1.00000
150 0.9620 1.00000
151 1.0809 1.00000
152 1.1595 1.00000
153 1.1707 1.00000
154 1.2033 1.00000
155 1.2527 1.00000
156 1.2696 1.00000
157 1.3340 1.00000
158 1.4176 1.00000
159 1.4293 1.00000
160 1.4294 1.00000
161 1.5036 1.00000
162 1.5347 1.00000
163 1.6075 1.00000
164 1.6221 1.00000
165 1.7177 1.00000
166 1.7658 1.00000
167 1.9709 1.00000
168 2.0177 1.00000
169 2.0322 1.00000
170 2.0325 1.00000
171 2.0931 1.00000
172 2.1307 1.00000
173 2.1560 1.00000
174 2.2042 1.00000
175 2.2952 1.00000
176 2.3097 1.00000
177 2.4646 1.00000
178 2.4781 1.00000
179 2.4847 1.00000
180 2.4870 1.00000
181 2.5092 1.00000
182 2.5238 1.00000
183 2.5637 1.00000
184 2.6658 1.00000
185 2.6810 1.00000
186 2.7142 1.00000
187 2.7625 1.00000
188 2.8213 1.00000
189 2.8235 1.00000
190 2.8460 1.00000
191 2.9663 1.00000
192 2.9689 1.00000
193 5.9584 0.00000
194 5.9966 0.00000
195 6.0525 0.00000
196 6.0603 0.00000
197 6.0811 0.00000
198 6.1129 0.00000
199 6.1374 0.00000
200 6.1441 0.00000
201 6.1676 0.00000
202 6.1780 0.00000
203 6.2497 0.00000
204 6.2519 0.00000
205 6.2590 0.00000
206 6.2728 0.00000
207 6.3191 0.00000
208 6.3217 0.00000
209 6.3268 0.00000
210 6.4796 0.00000
211 6.4920 0.00000
212 6.5143 0.00000
213 6.5410 0.00000
214 6.5596 0.00000
215 6.5602 0.00000
216 6.5878 0.00000
217 6.6307 0.00000
218 6.6505 0.00000
219 6.6801 0.00000
220 6.6825 0.00000
221 6.6916 0.00000
222 6.6994 0.00000
223 6.7165 0.00000
224 6.7283 0.00000
225 6.7360 0.00000
226 6.7600 0.00000
227 6.7710 0.00000
228 6.8423 0.00000
229 7.0249 0.00000
230 7.0976 0.00000
231 7.1434 0.00000
232 7.1702 0.00000
233 7.2542 0.00000
234 7.2542 0.00000
235 7.2971 0.00000
236 7.3547 0.00000
237 7.4241 0.00000
238 7.4351 0.00000
239 7.4645 0.00000
240 7.5745 0.00000
241 8.3711 0.00000
242 8.3824 0.00000
243 8.4513 0.00000
244 8.4527 0.00000
245 8.7105 0.00000
246 8.7405 0.00000
247 8.8529 0.00000
248 8.8698 0.00000
249 8.8968 0.00000
250 9.0301 0.00000
251 9.1420 0.00000
252 9.1531 0.00000
253 9.2534 0.00000
254 9.3082 0.00000
255 9.3207 0.00000
256 9.3349 0.00000
k-point 12 : 0.4167 0.4167 0.2500
band No. band energies occupation
1 -53.3339 1.00000
2 -53.3312 1.00000
3 -53.3312 1.00000
4 -53.3285 1.00000
5 -53.3229 1.00000
6 -53.3218 1.00000
7 -53.3218 1.00000
8 -53.3201 1.00000
9 -53.3081 1.00000
10 -53.3074 1.00000
11 -53.3074 1.00000
12 -53.3074 1.00000
13 -53.2997 1.00000
14 -53.2980 1.00000
15 -53.2980 1.00000
16 -53.2964 1.00000
17 -29.7530 1.00000
18 -29.7524 1.00000
19 -29.7524 1.00000
20 -29.7514 1.00000
21 -29.7107 1.00000
22 -29.7046 1.00000
23 -29.7046 1.00000
24 -29.6922 1.00000
25 -29.6772 1.00000
26 -29.6595 1.00000
27 -29.6595 1.00000
28 -29.6545 1.00000
29 -29.6417 1.00000
30 -29.6374 1.00000
31 -29.6374 1.00000
32 -29.6158 1.00000
33 -29.5882 1.00000
34 -29.5876 1.00000
35 -29.5813 1.00000
36 -29.5813 1.00000
37 -29.5797 1.00000
38 -29.5797 1.00000
39 -29.5780 1.00000
40 -29.5753 1.00000
41 -29.5554 1.00000
42 -29.5484 1.00000
43 -29.5435 1.00000
44 -29.5435 1.00000
45 -29.5350 1.00000
46 -29.5350 1.00000
47 -29.5347 1.00000
48 -29.5223 1.00000
49 -29.4848 1.00000
50 -29.4825 1.00000
51 -29.4825 1.00000
52 -29.4799 1.00000
53 -29.4696 1.00000
54 -29.4684 1.00000
55 -29.4684 1.00000
56 -29.4651 1.00000
57 -29.4582 1.00000
58 -29.4532 1.00000
59 -29.4532 1.00000
60 -29.4506 1.00000
61 -29.4229 1.00000
62 -29.4219 1.00000
63 -29.4219 1.00000
64 -29.4211 1.00000
65 -14.0018 1.00000
66 -13.8676 1.00000
67 -13.8676 1.00000
68 -13.7583 1.00000
69 -13.7161 1.00000
70 -13.6658 1.00000
71 -13.6658 1.00000
72 -13.5225 1.00000
73 -13.4243 1.00000
74 -13.3143 1.00000
75 -13.3143 1.00000
76 -13.2628 1.00000
77 -13.2004 1.00000
78 -13.1914 1.00000
79 -13.1416 1.00000
80 -13.1416 1.00000
81 -13.1215 1.00000
82 -13.1203 1.00000
83 -13.1203 1.00000
84 -13.0957 1.00000
85 -13.0772 1.00000
86 -13.0772 1.00000
87 -13.0485 1.00000
88 -13.0032 1.00000
89 -12.9935 1.00000
90 -12.9412 1.00000
91 -12.9412 1.00000
92 -12.9088 1.00000
93 -12.8814 1.00000
94 -12.8507 1.00000
95 -12.8507 1.00000
96 -12.8224 1.00000
97 -1.4327 1.00000
98 -1.3996 1.00000
99 -1.3798 1.00000
100 -1.3798 1.00000
101 -1.3662 1.00000
102 -1.3662 1.00000
103 -1.3027 1.00000
104 -1.2222 1.00000
105 -1.2019 1.00000
106 -1.1876 1.00000
107 -1.1162 1.00000
108 -1.1162 1.00000
109 -1.0900 1.00000
110 -1.0526 1.00000
111 -1.0526 1.00000
112 -1.0043 1.00000
113 -0.7577 1.00000
114 -0.7216 1.00000
115 -0.7216 1.00000
116 -0.6997 1.00000
117 -0.3339 1.00000
118 -0.3339 1.00000
119 -0.3194 1.00000
120 -0.2977 1.00000
121 -0.2772 1.00000
122 -0.1859 1.00000
123 -0.1859 1.00000
124 -0.1697 1.00000
125 -0.1604 1.00000
126 -0.1405 1.00000
127 -0.1405 1.00000
128 -0.0732 1.00000
129 -0.0608 1.00000
130 0.1728 1.00000
131 0.1728 1.00000
132 0.1980 1.00000
133 0.2929 1.00000
134 0.2929 1.00000
135 0.3540 1.00000
136 0.3614 1.00000
137 0.4241 1.00000
138 0.4799 1.00000
139 0.4870 1.00000
140 0.4870 1.00000
141 0.5601 1.00000
142 0.5786 1.00000
143 0.5786 1.00000
144 0.6114 1.00000
145 0.6271 1.00000
146 0.7277 1.00000
147 0.7277 1.00000
148 0.7643 1.00000
149 0.8291 1.00000
150 0.9112 1.00000
151 0.9112 1.00000
152 0.9630 1.00000
153 1.1029 1.00000
154 1.1757 1.00000
155 1.1757 1.00000
156 1.2066 1.00000
157 1.2389 1.00000
158 1.2747 1.00000
159 1.2747 1.00000
160 1.4075 1.00000
161 1.4439 1.00000
162 1.4693 1.00000
163 1.4693 1.00000
164 1.5564 1.00000
165 1.6352 1.00000
166 1.7630 1.00000
167 1.7630 1.00000
168 1.9515 1.00000
169 2.0758 1.00000
170 2.0981 1.00000
171 2.1586 1.00000
172 2.1586 1.00000
173 2.1918 1.00000
174 2.1918 1.00000
175 2.2958 1.00000
176 2.3597 1.00000
177 2.4167 1.00000
178 2.4656 1.00000
179 2.5171 1.00000
180 2.5171 1.00000
181 2.5365 1.00000
182 2.5409 1.00000
183 2.5409 1.00000
184 2.6364 1.00000
185 2.7827 1.00000
186 2.8457 1.00000
187 2.8457 1.00000
188 2.8821 1.00000
189 2.8821 1.00000
190 2.9134 1.00000
191 2.9425 1.00000
192 2.9488 1.00000
193 5.9893 0.00000
194 6.0161 0.00000
195 6.0161 0.00000
196 6.0353 0.00000
197 6.0431 0.00000
198 6.0691 0.00000
199 6.0691 0.00000
200 6.1057 0.00000
201 6.1868 0.00000
202 6.2199 0.00000
203 6.2199 0.00000
204 6.2248 0.00000
205 6.2482 0.00000
206 6.2482 0.00000
207 6.2512 0.00000
208 6.3157 0.00000
209 6.3876 0.00000
210 6.4493 0.00000
211 6.4719 0.00000
212 6.4818 0.00000
213 6.4818 0.00000
214 6.5376 0.00000
215 6.5376 0.00000
216 6.5398 0.00000
217 6.5922 0.00000
218 6.6089 0.00000
219 6.6089 0.00000
220 6.6161 0.00000
221 6.6496 0.00000
222 6.6666 0.00000
223 6.6666 0.00000
224 6.6851 0.00000
225 6.7546 0.00000
226 6.8512 0.00000
227 6.8977 0.00000
228 6.8977 0.00000
229 6.9336 0.00000
230 7.0236 0.00000
231 7.0236 0.00000
232 7.1167 0.00000
233 7.1167 0.00000
234 7.1243 0.00000
235 7.1329 0.00000
236 7.2273 0.00000
237 7.2718 0.00000
238 7.2884 0.00000
239 7.2884 0.00000
240 7.4302 0.00000
241 8.5144 0.00000
242 8.5342 0.00000
243 8.6126 0.00000
244 8.6126 0.00000
245 8.6423 0.00000
246 8.6423 0.00000
247 8.7348 0.00000
248 8.7760 0.00000
249 9.0136 0.00000
250 9.1368 0.00000
251 9.1368 0.00000
252 9.2323 0.00000
253 9.3516 0.00000
254 9.5104 0.00000
255 9.5235 0.00000
256 9.5578 0.00000
k-point 13 : 0.0833 0.0833 0.4167
band No. band energies occupation
1 -53.3368 1.00000
2 -53.3321 1.00000
3 -53.3278 1.00000
4 -53.3278 1.00000
5 -53.3270 1.00000
6 -53.3270 1.00000
7 -53.3153 1.00000
8 -53.3147 1.00000
9 -53.3106 1.00000
10 -53.3100 1.00000
11 -53.3023 1.00000
12 -53.3023 1.00000
13 -53.3014 1.00000
14 -53.3014 1.00000
15 -53.3011 1.00000
16 -53.2964 1.00000
17 -29.7413 1.00000
18 -29.7413 1.00000
19 -29.7372 1.00000
20 -29.7372 1.00000
21 -29.7347 1.00000
22 -29.7324 1.00000
23 -29.7323 1.00000
24 -29.7218 1.00000
25 -29.7197 1.00000
26 -29.7013 1.00000
27 -29.6670 1.00000
28 -29.6670 1.00000
29 -29.6656 1.00000
30 -29.6656 1.00000
31 -29.5991 1.00000
32 -29.5990 1.00000
33 -29.5901 1.00000
34 -29.5899 1.00000
35 -29.5689 1.00000
36 -29.5656 1.00000
37 -29.5632 1.00000
38 -29.5607 1.00000
39 -29.5601 1.00000
40 -29.5601 1.00000
41 -29.5595 1.00000
42 -29.5595 1.00000
43 -29.5258 1.00000
44 -29.5258 1.00000
45 -29.5257 1.00000
46 -29.5257 1.00000
47 -29.4900 1.00000
48 -29.4827 1.00000
49 -29.4804 1.00000
50 -29.4765 1.00000
51 -29.4765 1.00000
52 -29.4757 1.00000
53 -29.4757 1.00000
54 -29.4752 1.00000
55 -29.4727 1.00000
56 -29.4558 1.00000
57 -29.4541 1.00000
58 -29.4532 1.00000
59 -29.4465 1.00000
60 -29.4446 1.00000
61 -29.4436 1.00000
62 -29.4436 1.00000
63 -29.4406 1.00000
64 -29.4406 1.00000
65 -14.2787 1.00000
66 -14.1791 1.00000
67 -13.8851 1.00000
68 -13.8851 1.00000
69 -13.8714 1.00000
70 -13.8714 1.00000
71 -13.5405 1.00000
72 -13.4525 1.00000
73 -13.3302 1.00000
74 -13.3053 1.00000
75 -13.1861 1.00000
76 -13.1861 1.00000
77 -13.1835 1.00000
78 -13.1835 1.00000
79 -13.1733 1.00000
80 -13.1584 1.00000
81 -13.0709 1.00000
82 -13.0567 1.00000
83 -13.0531 1.00000
84 -13.0179 1.00000
85 -13.0179 1.00000
86 -13.0054 1.00000
87 -13.0033 1.00000
88 -13.0033 1.00000
89 -12.9025 1.00000
90 -12.9025 1.00000
91 -12.8992 1.00000
92 -12.8992 1.00000
93 -12.8263 1.00000
94 -12.8212 1.00000
95 -12.7937 1.00000
96 -12.7876 1.00000
97 -1.3029 1.00000
98 -1.3029 1.00000
99 -1.2669 1.00000
100 -1.2669 1.00000
101 -1.2441 1.00000
102 -1.2201 1.00000
103 -1.2150 1.00000
104 -1.1786 1.00000
105 -0.9149 1.00000
106 -0.9149 1.00000
107 -0.9092 1.00000
108 -0.8729 1.00000
109 -0.8673 1.00000
110 -0.8622 1.00000
111 -0.8622 1.00000
112 -0.7890 1.00000
113 -0.6446 1.00000
114 -0.6377 1.00000
115 -0.6182 1.00000
116 -0.6027 1.00000
117 -0.5897 1.00000
118 -0.5507 1.00000
119 -0.5406 1.00000
120 -0.5406 1.00000
121 -0.5366 1.00000
122 -0.5366 1.00000
123 -0.5293 1.00000
124 -0.5152 1.00000
125 -0.4828 1.00000
126 -0.4772 1.00000
127 -0.4716 1.00000
128 -0.4716 1.00000
129 -0.4450 1.00000
130 -0.4450 1.00000
131 -0.4113 1.00000
132 -0.3655 1.00000
133 -0.1570 1.00000
134 -0.1570 1.00000
135 -0.1456 1.00000
136 -0.1456 1.00000
137 0.1658 1.00000
138 0.1906 1.00000
139 0.3571 1.00000
140 0.3800 1.00000
141 0.8998 1.00000
142 0.8998 1.00000
143 0.9930 1.00000
144 0.9930 1.00000
145 1.0392 1.00000
146 1.0392 1.00000
147 1.1098 1.00000
148 1.1107 1.00000
149 1.1146 1.00000
150 1.1146 1.00000
151 1.1694 1.00000
152 1.1707 1.00000
153 1.1745 1.00000
154 1.1745 1.00000
155 1.2388 1.00000
156 1.2388 1.00000
157 1.4178 1.00000
158 1.4298 1.00000
159 1.4298 1.00000
160 1.4370 1.00000
161 1.5000 1.00000
162 1.5006 1.00000
163 1.5006 1.00000
164 1.6597 1.00000
165 1.7039 1.00000
166 1.7298 1.00000
167 1.9532 1.00000
168 1.9772 1.00000
169 2.0620 1.00000
170 2.0809 1.00000
171 2.0978 1.00000
172 2.2199 1.00000
173 2.2281 1.00000
174 2.2281 1.00000
175 2.2313 1.00000
176 2.2313 1.00000
177 2.2991 1.00000
178 2.2991 1.00000
179 2.2996 1.00000
180 2.2996 1.00000
181 2.5077 1.00000
182 2.5077 1.00000
183 2.5091 1.00000
184 2.5091 1.00000
185 2.8049 1.00000
186 2.8628 1.00000
187 2.8666 1.00000
188 2.8784 1.00000
189 2.8817 1.00000
190 2.9214 1.00000
191 2.9649 1.00000
192 2.9698 1.00000
193 5.3632 0.00000
194 5.4158 0.00000
195 5.7864 0.00000
196 5.8446 0.00000
197 6.2715 0.00000
198 6.2715 0.00000
199 6.2752 0.00000
200 6.2752 0.00000
201 6.4599 0.00000
202 6.4796 0.00000
203 6.4918 0.00000
204 6.4918 0.00000
205 6.4946 0.00000
206 6.4946 0.00000
207 6.5423 0.00000
208 6.5693 0.00000
209 6.5934 0.00000
210 6.5963 0.00000
211 6.6393 0.00000
212 6.6393 0.00000
213 6.6410 0.00000
214 6.6410 0.00000
215 6.6656 0.00000
216 6.6656 0.00000
217 6.6736 0.00000
218 6.6750 0.00000
219 6.6750 0.00000
220 6.6785 0.00000
221 6.7948 0.00000
222 6.8048 0.00000
223 6.8323 0.00000
224 6.8466 0.00000
225 7.1438 0.00000
226 7.1464 0.00000
227 7.1796 0.00000
228 7.1806 0.00000
229 7.2570 0.00000
230 7.2570 0.00000
231 7.2723 0.00000
232 7.2723 0.00000
233 7.4623 0.00000
234 7.4623 0.00000
235 7.4678 0.00000
236 7.4678 0.00000
237 7.8376 0.00000
238 7.8445 0.00000
239 7.8553 0.00000
240 7.8638 0.00000
241 7.8970 0.00000
242 7.9407 0.00000
243 8.2375 0.00000
244 8.3035 0.00000
245 8.3636 0.00000
246 8.3636 0.00000
247 8.3714 0.00000
248 8.3714 0.00000
249 8.4079 0.00000
250 8.5000 0.00000
251 9.0746 0.00000
252 9.0756 0.00000
253 9.0830 0.00000
254 9.0836 0.00000
255 9.2888 0.00000
256 9.3006 0.00000
k-point 14 : 0.2500 0.0833 0.4167
band No. band energies occupation
1 -53.3358 1.00000
2 -53.3313 1.00000
3 -53.3296 1.00000
4 -53.3272 1.00000
5 -53.3267 1.00000
6 -53.3259 1.00000
7 -53.3185 1.00000
8 -53.3177 1.00000
9 -53.3082 1.00000
10 -53.3073 1.00000
11 -53.3029 1.00000
12 -53.3025 1.00000
13 -53.3020 1.00000
14 -53.3014 1.00000
15 -53.3001 1.00000
16 -53.2969 1.00000
17 -29.7411 1.00000
18 -29.7410 1.00000
19 -29.7386 1.00000
20 -29.7370 1.00000
21 -29.7352 1.00000
22 -29.7332 1.00000
23 -29.7290 1.00000
24 -29.7090 1.00000
25 -29.7064 1.00000
26 -29.7041 1.00000
27 -29.6707 1.00000
28 -29.6690 1.00000
29 -29.6567 1.00000
30 -29.6526 1.00000
31 -29.5997 1.00000
32 -29.5996 1.00000
33 -29.5854 1.00000
34 -29.5798 1.00000
35 -29.5795 1.00000
36 -29.5787 1.00000
37 -29.5705 1.00000
38 -29.5699 1.00000
39 -29.5654 1.00000
40 -29.5613 1.00000
41 -29.5608 1.00000
42 -29.5593 1.00000
43 -29.5338 1.00000
44 -29.5337 1.00000
45 -29.5220 1.00000
46 -29.5220 1.00000
47 -29.4961 1.00000
48 -29.4909 1.00000
49 -29.4801 1.00000
50 -29.4774 1.00000
51 -29.4755 1.00000
52 -29.4753 1.00000
53 -29.4752 1.00000
54 -29.4744 1.00000
55 -29.4659 1.00000
56 -29.4621 1.00000
57 -29.4602 1.00000
58 -29.4472 1.00000
59 -29.4472 1.00000
60 -29.4422 1.00000
61 -29.4412 1.00000
62 -29.4396 1.00000
63 -29.4386 1.00000
64 -29.4382 1.00000
65 -14.2206 1.00000
66 -14.1242 1.00000
67 -13.9345 1.00000
68 -13.8931 1.00000
69 -13.8041 1.00000
70 -13.7900 1.00000
71 -13.4990 1.00000
72 -13.4132 1.00000
73 -13.3048 1.00000
74 -13.2991 1.00000
75 -13.2809 1.00000
76 -13.2803 1.00000
77 -13.2019 1.00000
78 -13.1945 1.00000
79 -13.1443 1.00000
80 -13.1416 1.00000
81 -13.1391 1.00000
82 -13.1073 1.00000
83 -13.0557 1.00000
84 -13.0399 1.00000
85 -13.0324 1.00000
86 -13.0050 1.00000
87 -12.9906 1.00000
88 -12.9867 1.00000
89 -12.8977 1.00000
90 -12.8954 1.00000
91 -12.8915 1.00000
92 -12.8809 1.00000
93 -12.8625 1.00000
94 -12.8554 1.00000
95 -12.8099 1.00000
96 -12.7995 1.00000
97 -1.4349 1.00000
98 -1.4039 1.00000
99 -1.3832 1.00000
100 -1.3767 1.00000
101 -1.2975 1.00000
102 -1.2657 1.00000
103 -1.2284 1.00000
104 -1.1974 1.00000
105 -0.9117 1.00000
106 -0.8886 1.00000
107 -0.8761 1.00000
108 -0.8720 1.00000
109 -0.8696 1.00000
110 -0.8516 1.00000
111 -0.7775 1.00000
112 -0.7664 1.00000
113 -0.6171 1.00000
114 -0.6032 1.00000
115 -0.5913 1.00000
116 -0.5851 1.00000
117 -0.5831 1.00000
118 -0.5514 1.00000
119 -0.5499 1.00000
120 -0.5063 1.00000
121 -0.4971 1.00000
122 -0.4915 1.00000
123 -0.4603 1.00000
124 -0.4602 1.00000
125 -0.4328 1.00000
126 -0.4253 1.00000
127 -0.4126 1.00000
128 -0.4084 1.00000
129 -0.3637 1.00000
130 -0.3280 1.00000
131 -0.1900 1.00000
132 -0.1688 1.00000
133 -0.1532 1.00000
134 -0.1458 1.00000
135 -0.0689 1.00000
136 -0.0434 1.00000
137 0.0585 1.00000
138 0.0981 1.00000
139 0.4502 1.00000
140 0.4808 1.00000
141 0.6280 1.00000
142 0.6923 1.00000
143 0.8062 1.00000
144 0.8903 1.00000
145 0.8946 1.00000
146 0.9437 1.00000
147 0.9641 1.00000
148 0.9893 1.00000
149 1.0336 1.00000
150 1.1440 1.00000
151 1.1609 1.00000
152 1.1783 1.00000
153 1.1888 1.00000
154 1.1987 1.00000
155 1.3277 1.00000
156 1.3396 1.00000
157 1.3449 1.00000
158 1.4208 1.00000
159 1.4795 1.00000
160 1.5541 1.00000
161 1.6111 1.00000
162 1.7093 1.00000
163 1.7226 1.00000
164 1.7782 1.00000
165 1.8160 1.00000
166 1.8209 1.00000
167 1.8944 1.00000
168 1.9030 1.00000
169 1.9379 1.00000
170 1.9424 1.00000
171 1.9791 1.00000
172 2.0334 1.00000
173 2.2457 1.00000
174 2.2584 1.00000
175 2.2879 1.00000
176 2.3478 1.00000
177 2.3522 1.00000
178 2.3619 1.00000
179 2.5024 1.00000
180 2.5115 1.00000
181 2.5593 1.00000
182 2.5600 1.00000
183 2.5708 1.00000
184 2.5771 1.00000
185 2.6015 1.00000
186 2.6828 1.00000
187 2.7504 1.00000
188 2.7683 1.00000
189 2.7711 1.00000
190 2.7899 1.00000
191 2.9696 1.00000
192 2.9701 1.00000
193 5.6086 0.00000
194 5.6288 0.00000
195 5.9126 0.00000
196 5.9365 0.00000
197 6.1690 0.00000
198 6.1862 0.00000
199 6.2177 0.00000
200 6.2305 0.00000
201 6.2932 0.00000
202 6.3083 0.00000
203 6.3533 0.00000
204 6.3693 0.00000
205 6.4421 0.00000
206 6.4456 0.00000
207 6.4742 0.00000
208 6.4747 0.00000
209 6.5888 0.00000
210 6.5919 0.00000
211 6.6006 0.00000
212 6.6117 0.00000
213 6.6180 0.00000
214 6.6222 0.00000
215 6.6509 0.00000
216 6.6554 0.00000
217 6.6591 0.00000
218 6.6733 0.00000
219 6.6835 0.00000
220 6.6920 0.00000
221 6.7428 0.00000
222 6.7453 0.00000
223 6.7625 0.00000
224 6.7827 0.00000
225 6.8417 0.00000
226 6.8747 0.00000
227 7.0448 0.00000
228 7.0632 0.00000
229 7.1939 0.00000
230 7.2286 0.00000
231 7.2500 0.00000
232 7.2780 0.00000
233 7.3779 0.00000
234 7.4031 0.00000
235 7.4526 0.00000
236 7.4556 0.00000
237 7.7150 0.00000
238 7.7240 0.00000
239 7.7589 0.00000
240 7.7721 0.00000
241 8.0257 0.00000
242 8.0667 0.00000
243 8.2880 0.00000
244 8.3084 0.00000
245 8.5497 0.00000
246 8.5800 0.00000
247 8.5811 0.00000
248 8.5902 0.00000
249 8.6493 0.00000
250 8.7087 0.00000
251 9.0349 0.00000
252 9.0536 0.00000
253 9.1110 0.00000
254 9.1203 0.00000
255 9.2584 0.00000
256 9.3612 0.00000
k-point 15 : 0.4167 0.0833 0.4167
band No. band energies occupation
1 -53.3341 1.00000
2 -53.3319 1.00000
3 -53.3299 1.00000
4 -53.3284 1.00000
5 -53.3246 1.00000
6 -53.3237 1.00000
7 -53.3217 1.00000
8 -53.3209 1.00000
9 -53.3058 1.00000
10 -53.3050 1.00000
11 -53.3040 1.00000
12 -53.3032 1.00000
13 -53.3023 1.00000
14 -53.3018 1.00000
15 -53.2988 1.00000
16 -53.2977 1.00000
17 -29.7406 1.00000
18 -29.7401 1.00000
19 -29.7383 1.00000
20 -29.7367 1.00000
21 -29.7364 1.00000
22 -29.7353 1.00000
23 -29.7189 1.00000
24 -29.7100 1.00000
25 -29.6929 1.00000
26 -29.6906 1.00000
27 -29.6791 1.00000
28 -29.6771 1.00000
29 -29.6366 1.00000
30 -29.6305 1.00000
31 -29.6108 1.00000
32 -29.6038 1.00000
33 -29.5952 1.00000
34 -29.5951 1.00000
35 -29.5846 1.00000
36 -29.5842 1.00000
37 -29.5649 1.00000
38 -29.5645 1.00000
39 -29.5643 1.00000
40 -29.5628 1.00000
41 -29.5603 1.00000
42 -29.5597 1.00000
43 -29.5482 1.00000
44 -29.5479 1.00000
45 -29.5151 1.00000
46 -29.5139 1.00000
47 -29.5056 1.00000
48 -29.5026 1.00000
49 -29.4794 1.00000
50 -29.4785 1.00000
51 -29.4751 1.00000
52 -29.4751 1.00000
53 -29.4728 1.00000
54 -29.4713 1.00000
55 -29.4681 1.00000
56 -29.4664 1.00000
57 -29.4580 1.00000
58 -29.4518 1.00000
59 -29.4415 1.00000
60 -29.4393 1.00000
61 -29.4391 1.00000
62 -29.4386 1.00000
63 -29.4365 1.00000
64 -29.4362 1.00000
65 -14.1233 1.00000
66 -14.0365 1.00000
67 -14.0184 1.00000
68 -13.9507 1.00000
69 -13.6576 1.00000
70 -13.6426 1.00000
71 -13.4754 1.00000
72 -13.4589 1.00000
73 -13.4167 1.00000
74 -13.3399 1.00000
75 -13.2955 1.00000
76 -13.2631 1.00000
77 -13.2455 1.00000
78 -13.2429 1.00000
79 -13.2136 1.00000
80 -13.2094 1.00000
81 -13.0839 1.00000
82 -13.0823 1.00000
83 -13.0576 1.00000
84 -13.0474 1.00000
85 -12.9900 1.00000
86 -12.9658 1.00000
87 -12.9570 1.00000
88 -12.9501 1.00000
89 -12.9356 1.00000
90 -12.9060 1.00000
91 -12.9047 1.00000
92 -12.9010 1.00000
93 -12.8805 1.00000
94 -12.8746 1.00000
95 -12.8525 1.00000
96 -12.8412 1.00000
97 -1.3786 1.00000
98 -1.3554 1.00000
99 -1.3541 1.00000
100 -1.3455 1.00000
101 -1.2934 1.00000
102 -1.2764 1.00000
103 -1.2277 1.00000
104 -1.1858 1.00000
105 -1.1663 1.00000
106 -1.1510 1.00000
107 -1.0833 1.00000
108 -1.0600 1.00000
109 -0.9019 1.00000
110 -0.8963 1.00000
111 -0.8436 1.00000
112 -0.8423 1.00000
113 -0.6007 1.00000
114 -0.5853 1.00000
115 -0.5798 1.00000
116 -0.5748 1.00000
117 -0.5646 1.00000
118 -0.5592 1.00000
119 -0.4926 1.00000
120 -0.4709 1.00000
121 -0.4536 1.00000
122 -0.4464 1.00000
123 -0.4253 1.00000
124 -0.3986 1.00000
125 -0.3443 1.00000
126 -0.3320 1.00000
127 -0.3162 1.00000
128 -0.3074 1.00000
129 -0.3034 1.00000
130 -0.2818 1.00000
131 -0.2628 1.00000
132 -0.2171 1.00000
133 0.0637 1.00000
134 0.1115 1.00000
135 0.2979 1.00000
136 0.3514 1.00000
137 0.3783 1.00000
138 0.3908 1.00000
139 0.5102 1.00000
140 0.5148 1.00000
141 0.5584 1.00000
142 0.5863 1.00000
143 0.6945 1.00000
144 0.7126 1.00000
145 0.7711 1.00000
146 0.7972 1.00000
147 0.8618 1.00000
148 0.9647 1.00000
149 1.0679 1.00000
150 1.0739 1.00000
151 1.0825 1.00000
152 1.1188 1.00000
153 1.1274 1.00000
154 1.2481 1.00000
155 1.2790 1.00000
156 1.2867 1.00000
157 1.2891 1.00000
158 1.3536 1.00000
159 1.3687 1.00000
160 1.4385 1.00000
161 1.5076 1.00000
162 1.5670 1.00000
163 1.6373 1.00000
164 1.6620 1.00000
165 1.6933 1.00000
166 1.7257 1.00000
167 1.8281 1.00000
168 1.8916 1.00000
169 2.1306 1.00000
170 2.1333 1.00000
171 2.1766 1.00000
172 2.2095 1.00000
173 2.2927 1.00000
174 2.3257 1.00000
175 2.3987 1.00000
176 2.4300 1.00000
177 2.4502 1.00000
178 2.4645 1.00000
179 2.4800 1.00000
180 2.4966 1.00000
181 2.5608 1.00000
182 2.5671 1.00000
183 2.5987 1.00000
184 2.6023 1.00000
185 2.6202 1.00000
186 2.6212 1.00000
187 2.6235 1.00000
188 2.6621 1.00000
189 2.7546 1.00000
190 2.7632 1.00000
191 2.9049 1.00000
192 2.9101 1.00000
193 5.8480 0.00000
194 5.8821 0.00000
195 6.0203 0.00000
196 6.0539 0.00000
197 6.1551 0.00000
198 6.1666 0.00000
199 6.1734 0.00000
200 6.2055 0.00000
201 6.2115 0.00000
202 6.2212 0.00000
203 6.2542 0.00000
204 6.2596 0.00000
205 6.3434 0.00000
206 6.3459 0.00000
207 6.3562 0.00000
208 6.3631 0.00000
209 6.4174 0.00000
210 6.4458 0.00000
211 6.5052 0.00000
212 6.5256 0.00000
213 6.5867 0.00000
214 6.6116 0.00000
215 6.6148 0.00000
216 6.6197 0.00000
217 6.6223 0.00000
218 6.6412 0.00000
219 6.6466 0.00000
220 6.6567 0.00000
221 6.6992 0.00000
222 6.7066 0.00000
223 6.7320 0.00000
224 6.7339 0.00000
225 6.7943 0.00000
226 6.8237 0.00000
227 6.8451 0.00000
228 6.8567 0.00000
229 7.2767 0.00000
230 7.3060 0.00000
231 7.3472 0.00000
232 7.3692 0.00000
233 7.3762 0.00000
234 7.3935 0.00000
235 7.4393 0.00000
236 7.4651 0.00000
237 7.5268 0.00000
238 7.5391 0.00000
239 7.5988 0.00000
240 7.6168 0.00000
241 8.1062 0.00000
242 8.1418 0.00000
243 8.1912 0.00000
244 8.2199 0.00000
245 8.7827 0.00000
246 8.7855 0.00000
247 8.8288 0.00000
248 8.8701 0.00000
249 8.8834 0.00000
250 8.9450 0.00000
251 8.9505 0.00000
252 8.9510 0.00000
253 8.9591 0.00000
254 8.9841 0.00000
255 9.0966 0.00000
256 9.1867 0.00000
k-point 16 : 0.2500 0.2500 0.4167
band No. band energies occupation
1 -53.3348 1.00000
2 -53.3305 1.00000
3 -53.3285 1.00000
4 -53.3285 1.00000
5 -53.3262 1.00000
6 -53.3262 1.00000
7 -53.3209 1.00000
8 -53.3191 1.00000
9 -53.3072 1.00000
10 -53.3054 1.00000
11 -53.3031 1.00000
12 -53.3031 1.00000
13 -53.3017 1.00000
14 -53.3007 1.00000
15 -53.3007 1.00000
16 -53.2973 1.00000
17 -29.7410 1.00000
18 -29.7410 1.00000
19 -29.7406 1.00000
20 -29.7340 1.00000
21 -29.7328 1.00000
22 -29.7291 1.00000
23 -29.7291 1.00000
24 -29.7065 1.00000
25 -29.7000 1.00000
26 -29.6946 1.00000
27 -29.6607 1.00000
28 -29.6607 1.00000
29 -29.6561 1.00000
30 -29.6561 1.00000
31 -29.5987 1.00000
32 -29.5986 1.00000
33 -29.5951 1.00000
34 -29.5871 1.00000
35 -29.5723 1.00000
36 -29.5715 1.00000
37 -29.5714 1.00000
38 -29.5714 1.00000
39 -29.5710 1.00000
40 -29.5697 1.00000
41 -29.5697 1.00000
42 -29.5674 1.00000
43 -29.5300 1.00000
44 -29.5300 1.00000
45 -29.5294 1.00000
46 -29.5294 1.00000
47 -29.5022 1.00000
48 -29.4976 1.00000
49 -29.4807 1.00000
50 -29.4771 1.00000
51 -29.4771 1.00000
52 -29.4755 1.00000
53 -29.4741 1.00000
54 -29.4741 1.00000
55 -29.4667 1.00000
56 -29.4627 1.00000
57 -29.4601 1.00000
58 -29.4444 1.00000
59 -29.4444 1.00000
60 -29.4425 1.00000
61 -29.4418 1.00000
62 -29.4360 1.00000
63 -29.4360 1.00000
64 -29.4359 1.00000
65 -14.1595 1.00000
66 -14.0653 1.00000
67 -13.8560 1.00000
68 -13.8560 1.00000
69 -13.8135 1.00000
70 -13.8135 1.00000
71 -13.4613 1.00000
72 -13.3927 1.00000
73 -13.3761 1.00000
74 -13.3496 1.00000
75 -13.2774 1.00000
76 -13.2520 1.00000
77 -13.1572 1.00000
78 -13.1572 1.00000
79 -13.1505 1.00000
80 -13.1505 1.00000
81 -13.1304 1.00000
82 -13.1304 1.00000
83 -13.0941 1.00000
84 -13.0941 1.00000
85 -13.0916 1.00000
86 -13.0543 1.00000
87 -13.0149 1.00000
88 -12.9701 1.00000
89 -12.9128 1.00000
90 -12.9022 1.00000
91 -12.8898 1.00000
92 -12.8898 1.00000
93 -12.8721 1.00000
94 -12.8721 1.00000
95 -12.8159 1.00000
96 -12.7972 1.00000
97 -1.4436 1.00000
98 -1.4303 1.00000
99 -1.4303 1.00000
100 -1.4290 1.00000
101 -1.4038 1.00000
102 -1.4038 1.00000
103 -1.3301 1.00000
104 -1.2889 1.00000
105 -0.9206 1.00000
106 -0.9204 1.00000
107 -0.7954 1.00000
108 -0.7954 1.00000
109 -0.7945 1.00000
110 -0.7914 1.00000
111 -0.7914 1.00000
112 -0.7854 1.00000
113 -0.6837 1.00000
114 -0.5853 1.00000
115 -0.5853 1.00000
116 -0.5824 1.00000
117 -0.5208 1.00000
118 -0.4893 1.00000
119 -0.4782 1.00000
120 -0.4427 1.00000
121 -0.4427 1.00000
122 -0.4389 1.00000
123 -0.4058 1.00000
124 -0.4058 1.00000
125 -0.3983 1.00000
126 -0.3983 1.00000
127 -0.3236 1.00000
128 -0.2953 1.00000
129 -0.1737 1.00000
130 -0.1709 1.00000
131 -0.1209 1.00000
132 -0.0872 1.00000
133 -0.0755 1.00000
134 -0.0755 1.00000
135 -0.0453 1.00000
136 -0.0453 1.00000
137 -0.0153 1.00000
138 0.1009 1.00000
139 0.4576 1.00000
140 0.5211 1.00000
141 0.5309 1.00000
142 0.5309 1.00000
143 0.6397 1.00000
144 0.6397 1.00000
145 0.7803 1.00000
146 0.8079 1.00000
147 0.9471 1.00000
148 0.9471 1.00000
149 1.0201 1.00000
150 1.0201 1.00000
151 1.1525 1.00000
152 1.2054 1.00000
153 1.3405 1.00000
154 1.3405 1.00000
155 1.3615 1.00000
156 1.3615 1.00000
157 1.3705 1.00000
158 1.4080 1.00000
159 1.6227 1.00000
160 1.6363 1.00000
161 1.7317 1.00000
162 1.7317 1.00000
163 1.7454 1.00000
164 1.7613 1.00000
165 1.8235 1.00000
166 1.8235 1.00000
167 1.8358 1.00000
168 1.8528 1.00000
169 1.9654 1.00000
170 1.9654 1.00000
171 1.9734 1.00000
172 1.9734 1.00000
173 2.0436 1.00000
174 2.1344 1.00000
175 2.3611 1.00000
176 2.3803 1.00000
177 2.4301 1.00000
178 2.4626 1.00000
179 2.4883 1.00000
180 2.4883 1.00000
181 2.5012 1.00000
182 2.5012 1.00000
183 2.6504 1.00000
184 2.6542 1.00000
185 2.6542 1.00000
186 2.6544 1.00000
187 2.6544 1.00000
188 2.7018 1.00000
189 2.7614 1.00000
190 2.8007 1.00000
191 2.9636 1.00000
192 2.9709 1.00000
193 5.8195 0.00000
194 5.8297 0.00000
195 5.9491 0.00000
196 5.9631 0.00000
197 6.1405 0.00000
198 6.1405 0.00000
199 6.1494 0.00000
200 6.1494 0.00000
201 6.2710 0.00000
202 6.2937 0.00000
203 6.2968 0.00000
204 6.2968 0.00000
205 6.3104 0.00000
206 6.3104 0.00000
207 6.4341 0.00000
208 6.4779 0.00000
209 6.5104 0.00000
210 6.5112 0.00000
211 6.5345 0.00000
212 6.5866 0.00000
213 6.5866 0.00000
214 6.5887 0.00000
215 6.5948 0.00000
216 6.5948 0.00000
217 6.6586 0.00000
218 6.6677 0.00000
219 6.6720 0.00000
220 6.6999 0.00000
221 6.7060 0.00000
222 6.7060 0.00000
223 6.7205 0.00000
224 6.7205 0.00000
225 6.8847 0.00000
226 6.8930 0.00000
227 6.9340 0.00000
228 6.9664 0.00000
229 7.0506 0.00000
230 7.0506 0.00000
231 7.0923 0.00000
232 7.0923 0.00000
233 7.3184 0.00000
234 7.3184 0.00000
235 7.3525 0.00000
236 7.3525 0.00000
237 7.5873 0.00000
238 7.6071 0.00000
239 7.6510 0.00000
240 7.6828 0.00000
241 8.2146 0.00000
242 8.2337 0.00000
243 8.5061 0.00000
244 8.5061 0.00000
245 8.5101 0.00000
246 8.5101 0.00000
247 8.7450 0.00000
248 8.8177 0.00000
249 8.9204 0.00000
250 8.9833 0.00000
251 8.9954 0.00000
252 9.0018 0.00000
253 9.2894 0.00000
254 9.2902 0.00000
255 9.3857 0.00000
256 9.3987 0.00000
k-point 17 : 0.4167 0.2500 0.4167
band No. band energies occupation
1 -53.3331 1.00000
2 -53.3308 1.00000
3 -53.3291 1.00000
4 -53.3275 1.00000
5 -53.3265 1.00000
6 -53.3242 1.00000
7 -53.3238 1.00000
8 -53.3217 1.00000
9 -53.3056 1.00000
10 -53.3041 1.00000
11 -53.3034 1.00000
12 -53.3027 1.00000
13 -53.3022 1.00000
14 -53.3018 1.00000
15 -53.2993 1.00000
16 -53.2981 1.00000
17 -29.7411 1.00000
18 -29.7409 1.00000
19 -29.7385 1.00000
20 -29.7358 1.00000
21 -29.7310 1.00000
22 -29.7297 1.00000
23 -29.7198 1.00000
24 -29.7118 1.00000
25 -29.6846 1.00000
26 -29.6786 1.00000
27 -29.6700 1.00000
28 -29.6645 1.00000
29 -29.6412 1.00000
30 -29.6344 1.00000
31 -29.6168 1.00000
32 -29.6088 1.00000
33 -29.5943 1.00000
34 -29.5941 1.00000
35 -29.5847 1.00000
36 -29.5837 1.00000
37 -29.5727 1.00000
38 -29.5723 1.00000
39 -29.5698 1.00000
40 -29.5697 1.00000
41 -29.5592 1.00000
42 -29.5582 1.00000
43 -29.5437 1.00000
44 -29.5427 1.00000
45 -29.5224 1.00000
46 -29.5207 1.00000
47 -29.5122 1.00000
48 -29.5090 1.00000
49 -29.4801 1.00000
50 -29.4788 1.00000
51 -29.4752 1.00000
52 -29.4751 1.00000
53 -29.4745 1.00000
54 -29.4715 1.00000
55 -29.4714 1.00000
56 -29.4672 1.00000
57 -29.4535 1.00000
58 -29.4482 1.00000
59 -29.4417 1.00000
60 -29.4408 1.00000
61 -29.4378 1.00000
62 -29.4356 1.00000
63 -29.4336 1.00000
64 -29.4335 1.00000
65 -14.0567 1.00000
66 -13.9701 1.00000
67 -13.9451 1.00000
68 -13.8761 1.00000
69 -13.7156 1.00000
70 -13.6707 1.00000
71 -13.5458 1.00000
72 -13.4984 1.00000
73 -13.3864 1.00000
74 -13.3076 1.00000
75 -13.2732 1.00000
76 -13.2322 1.00000
77 -13.2106 1.00000
78 -13.2088 1.00000
79 -13.1878 1.00000
80 -13.1710 1.00000
81 -13.1328 1.00000
82 -13.1171 1.00000
83 -13.1080 1.00000
84 -13.0797 1.00000
85 -13.0519 1.00000
86 -13.0473 1.00000
87 -12.9773 1.00000
88 -12.9737 1.00000
89 -12.9654 1.00000
90 -12.9371 1.00000
91 -12.9264 1.00000
92 -12.8959 1.00000
93 -12.8732 1.00000
94 -12.8533 1.00000
95 -12.8459 1.00000
96 -12.8239 1.00000
97 -1.4391 1.00000
98 -1.4323 1.00000
99 -1.4253 1.00000
100 -1.4105 1.00000
101 -1.3755 1.00000
102 -1.3572 1.00000
103 -1.2855 1.00000
104 -1.2486 1.00000
105 -1.1674 1.00000
106 -1.1580 1.00000
107 -1.0890 1.00000
108 -1.0717 1.00000
109 -0.8222 1.00000
110 -0.8148 1.00000
111 -0.8083 1.00000
112 -0.8039 1.00000
113 -0.6419 1.00000
114 -0.6079 1.00000
115 -0.5751 1.00000
116 -0.5644 1.00000
117 -0.4706 1.00000
118 -0.4515 1.00000
119 -0.4428 1.00000
120 -0.4244 1.00000
121 -0.3688 1.00000
122 -0.3614 1.00000
123 -0.3579 1.00000
124 -0.3349 1.00000
125 -0.2956 1.00000
126 -0.2939 1.00000
127 -0.2740 1.00000
128 -0.2688 1.00000
129 -0.1315 1.00000
130 -0.0997 1.00000
131 -0.0995 1.00000
132 -0.0608 1.00000
133 -0.0007 1.00000
134 0.1225 1.00000
135 0.2278 1.00000
136 0.3436 1.00000
137 0.3513 1.00000
138 0.3536 1.00000
139 0.5125 1.00000
140 0.5356 1.00000
141 0.5539 1.00000
142 0.5842 1.00000
143 0.6045 1.00000
144 0.6218 1.00000
145 0.6258 1.00000
146 0.7101 1.00000
147 0.7456 1.00000
148 0.7489 1.00000
149 1.0436 1.00000
150 1.0464 1.00000
151 1.0696 1.00000
152 1.1657 1.00000
153 1.1841 1.00000
154 1.1892 1.00000
155 1.2541 1.00000
156 1.3834 1.00000
157 1.4097 1.00000
158 1.4472 1.00000
159 1.4579 1.00000
160 1.5112 1.00000
161 1.5294 1.00000
162 1.5395 1.00000
163 1.6596 1.00000
164 1.6887 1.00000
165 1.7101 1.00000
166 1.7160 1.00000
167 1.8404 1.00000
168 1.8673 1.00000
169 2.0548 1.00000
170 2.0939 1.00000
171 2.1494 1.00000
172 2.1642 1.00000
173 2.1722 1.00000
174 2.2072 1.00000
175 2.2553 1.00000
176 2.2998 1.00000
177 2.4704 1.00000
178 2.4861 1.00000
179 2.4891 1.00000
180 2.5019 1.00000
181 2.5171 1.00000
182 2.5182 1.00000
183 2.5403 1.00000
184 2.5743 1.00000
185 2.7233 1.00000
186 2.7353 1.00000
187 2.7494 1.00000
188 2.7978 1.00000
189 2.8077 1.00000
190 2.8225 1.00000
191 2.9168 1.00000
192 2.9342 1.00000
193 5.9660 0.00000
194 5.9795 0.00000
195 6.0489 0.00000
196 6.0510 0.00000
197 6.0939 0.00000
198 6.1122 0.00000
199 6.1492 0.00000
200 6.1501 0.00000
201 6.1597 0.00000
202 6.1671 0.00000
203 6.2612 0.00000
204 6.2697 0.00000
205 6.2722 0.00000
206 6.2725 0.00000
207 6.3388 0.00000
208 6.3668 0.00000
209 6.3680 0.00000
210 6.4248 0.00000
211 6.4860 0.00000
212 6.4965 0.00000
213 6.5340 0.00000
214 6.5684 0.00000
215 6.5871 0.00000
216 6.5927 0.00000
217 6.6531 0.00000
218 6.6539 0.00000
219 6.6621 0.00000
220 6.6731 0.00000
221 6.6814 0.00000
222 6.6849 0.00000
223 6.6852 0.00000
224 6.7128 0.00000
225 6.7308 0.00000
226 6.7538 0.00000
227 6.7885 0.00000
228 6.8185 0.00000
229 7.0461 0.00000
230 7.0723 0.00000
231 7.1851 0.00000
232 7.1950 0.00000
233 7.2257 0.00000
234 7.2258 0.00000
235 7.3352 0.00000
236 7.3869 0.00000
237 7.3870 0.00000
238 7.4146 0.00000
239 7.4864 0.00000
240 7.5302 0.00000
241 8.3208 0.00000
242 8.3326 0.00000
243 8.4094 0.00000
244 8.4168 0.00000
245 8.6931 0.00000
246 8.6971 0.00000
247 8.8381 0.00000
248 8.8462 0.00000
249 8.9898 0.00000
250 9.0810 0.00000
251 9.1615 0.00000
252 9.1984 0.00000
253 9.2570 0.00000
254 9.2714 0.00000
255 9.3645 0.00000
256 9.3840 0.00000
k-point 18 : 0.4167 0.4167 0.4167
band No. band energies occupation
1 -53.3313 1.00000
2 -53.3289 1.00000
3 -53.3289 1.00000
4 -53.3275 1.00000
5 -53.3265 1.00000
6 -53.3257 1.00000
7 -53.3257 1.00000
8 -53.3236 1.00000
9 -53.3046 1.00000
10 -53.3035 1.00000
11 -53.3035 1.00000
12 -53.3028 1.00000
13 -53.3017 1.00000
14 -53.3003 1.00000
15 -53.3003 1.00000
16 -53.2990 1.00000
17 -29.7402 1.00000
18 -29.7391 1.00000
19 -29.7391 1.00000
20 -29.7371 1.00000
21 -29.7258 1.00000
22 -29.7220 1.00000
23 -29.7220 1.00000
24 -29.7157 1.00000
25 -29.6688 1.00000
26 -29.6610 1.00000
27 -29.6522 1.00000
28 -29.6522 1.00000
29 -29.6444 1.00000
30 -29.6444 1.00000
31 -29.6318 1.00000
32 -29.6230 1.00000
33 -29.5912 1.00000
34 -29.5907 1.00000
35 -29.5838 1.00000
36 -29.5838 1.00000
37 -29.5825 1.00000
38 -29.5825 1.00000
39 -29.5806 1.00000
40 -29.5787 1.00000
41 -29.5484 1.00000
42 -29.5468 1.00000
43 -29.5349 1.00000
44 -29.5349 1.00000
45 -29.5329 1.00000
46 -29.5329 1.00000
47 -29.5233 1.00000
48 -29.5204 1.00000
49 -29.4796 1.00000
50 -29.4778 1.00000
51 -29.4778 1.00000
52 -29.4751 1.00000
53 -29.4742 1.00000
54 -29.4727 1.00000
55 -29.4727 1.00000
56 -29.4699 1.00000
57 -29.4482 1.00000
58 -29.4443 1.00000
59 -29.4443 1.00000
60 -29.4420 1.00000
61 -29.4341 1.00000
62 -29.4326 1.00000
63 -29.4326 1.00000
64 -29.4318 1.00000
65 -13.9427 1.00000
66 -13.8595 1.00000
67 -13.8167 1.00000
68 -13.8167 1.00000
69 -13.7464 1.00000
70 -13.7464 1.00000
71 -13.6688 1.00000
72 -13.6025 1.00000
73 -13.3292 1.00000
74 -13.2531 1.00000
75 -13.2404 1.00000
76 -13.2404 1.00000
77 -13.1906 1.00000
78 -13.1786 1.00000
79 -13.1786 1.00000
80 -13.1761 1.00000
81 -13.1528 1.00000
82 -13.1338 1.00000
83 -13.1159 1.00000
84 -13.1159 1.00000
85 -13.0992 1.00000
86 -13.0992 1.00000
87 -13.0399 1.00000
88 -13.0247 1.00000
89 -12.9490 1.00000
90 -12.9102 1.00000
91 -12.9065 1.00000
92 -12.9065 1.00000
93 -12.8747 1.00000
94 -12.8747 1.00000
95 -12.8747 1.00000
96 -12.8448 1.00000
97 -1.4237 1.00000
98 -1.4135 1.00000
99 -1.3770 1.00000
100 -1.3770 1.00000
101 -1.3716 1.00000
102 -1.3716 1.00000
103 -1.2599 1.00000
104 -1.2224 1.00000
105 -1.2205 1.00000
106 -1.2177 1.00000
107 -1.0931 1.00000
108 -1.0931 1.00000
109 -1.0707 1.00000
110 -1.0707 1.00000
111 -1.0528 1.00000
112 -1.0242 1.00000
113 -0.5944 1.00000
114 -0.5741 1.00000
115 -0.5741 1.00000
116 -0.5736 1.00000
117 -0.4218 1.00000
118 -0.3909 1.00000
119 -0.3909 1.00000
120 -0.3752 1.00000
121 -0.2933 1.00000
122 -0.2830 1.00000
123 -0.2830 1.00000
124 -0.2701 1.00000
125 -0.2314 1.00000
126 -0.2282 1.00000
127 -0.2282 1.00000
128 -0.2076 1.00000
129 0.0130 1.00000
130 0.1211 1.00000
131 0.1967 1.00000
132 0.1967 1.00000
133 0.2544 1.00000
134 0.2544 1.00000
135 0.3614 1.00000
136 0.3724 1.00000
137 0.3982 1.00000
138 0.4194 1.00000
139 0.4992 1.00000
140 0.4992 1.00000
141 0.5314 1.00000
142 0.5314 1.00000
143 0.6100 1.00000
144 0.6783 1.00000
145 0.6799 1.00000
146 0.6942 1.00000
147 0.8624 1.00000
148 0.8624 1.00000
149 0.9180 1.00000
150 0.9180 1.00000
151 0.9489 1.00000
152 0.9709 1.00000
153 1.1079 1.00000
154 1.1688 1.00000
155 1.1910 1.00000
156 1.1910 1.00000
157 1.2265 1.00000
158 1.2265 1.00000
159 1.3024 1.00000
160 1.3738 1.00000
161 1.5352 1.00000
162 1.5984 1.00000
163 1.6071 1.00000
164 1.6071 1.00000
165 1.7012 1.00000
166 1.7012 1.00000
167 1.7022 1.00000
168 1.8410 1.00000
169 2.1323 1.00000
170 2.1650 1.00000
171 2.1650 1.00000
172 2.2279 1.00000
173 2.2279 1.00000
174 2.2533 1.00000
175 2.2954 1.00000
176 2.3659 1.00000
177 2.4065 1.00000
178 2.4332 1.00000
179 2.4484 1.00000
180 2.4484 1.00000
181 2.4664 1.00000
182 2.4903 1.00000
183 2.5083 1.00000
184 2.5083 1.00000
185 2.8429 1.00000
186 2.8709 1.00000
187 2.8709 1.00000
188 2.8740 1.00000
189 2.8740 1.00000
190 2.8842 1.00000
191 2.9196 1.00000
192 2.9387 1.00000
193 5.9900 0.00000
194 6.0046 0.00000
195 6.0190 0.00000
196 6.0190 0.00000
197 6.0357 0.00000
198 6.0357 0.00000
199 6.0578 0.00000
200 6.0755 0.00000
201 6.2511 0.00000
202 6.2675 0.00000
203 6.2675 0.00000
204 6.2896 0.00000
205 6.2896 0.00000
206 6.2918 0.00000
207 6.3091 0.00000
208 6.3212 0.00000
209 6.3719 0.00000
210 6.3897 0.00000
211 6.4233 0.00000
212 6.4539 0.00000
213 6.4539 0.00000
214 6.4889 0.00000
215 6.4889 0.00000
216 6.5230 0.00000
217 6.6205 0.00000
218 6.6209 0.00000
219 6.6210 0.00000
220 6.6283 0.00000
221 6.6283 0.00000
222 6.6400 0.00000
223 6.6402 0.00000
224 6.6402 0.00000
225 6.7963 0.00000
226 6.8307 0.00000
227 6.9533 0.00000
228 6.9533 0.00000
229 6.9967 0.00000
230 6.9967 0.00000
231 7.0012 0.00000
232 7.0734 0.00000
233 7.1690 0.00000
234 7.1698 0.00000
235 7.1698 0.00000
236 7.2052 0.00000
237 7.2331 0.00000
238 7.2331 0.00000
239 7.3179 0.00000
240 7.3765 0.00000
241 8.4693 0.00000
242 8.4723 0.00000
243 8.5807 0.00000
244 8.5807 0.00000
245 8.5818 0.00000
246 8.5818 0.00000
247 8.7089 0.00000
248 8.7139 0.00000
249 9.1581 0.00000
250 9.2659 0.00000
251 9.2867 0.00000
252 9.2867 0.00000
253 9.3833 0.00000
254 9.4078 0.00000
255 9.4085 0.00000
256 9.5081 0.00000
--------------------------------------------------------------------------------------------------------
soft charge-density along one line, spin component 1
0 1 2 3 4 5 6 7 8 9
total charge-density along one line
soft charge-density along one line, spin component 2
0 1 2 3 4 5 6 7 8 9
total charge-density along one line
pseudopotential strength for first ion, spin component: 1
-3.221 -22.289 -0.000 0.000 0.000 0.000 -0.000 -0.000
-22.289 9.916 -0.000 0.000 0.000 -0.000 0.000 0.000
-0.000 -0.000 -25.559 -0.000 0.000 9.260 0.000 -0.000
0.000 0.000 -0.000 -25.581 -0.000 0.000 9.275 0.000
0.000 0.000 0.000 -0.000 -25.559 -0.000 0.000 9.260
0.000 -0.000 9.260 0.000 -0.000 5.542 -0.000 0.000
-0.000 0.000 0.000 9.275 0.000 -0.000 5.537 -0.000
-0.000 0.000 -0.000 0.000 9.260 0.000 -0.000 5.542
0.000 0.000 -0.000 -0.000 0.000 0.000 0.000 -0.000
-0.000 -0.000 -0.006 0.000 -0.000 0.003 -0.000 0.000
-0.009 -0.003 0.000 0.000 -0.000 -0.000 -0.000 0.000
-0.000 -0.000 -0.000 -0.000 0.006 0.000 0.000 -0.003
0.000 0.000 0.000 0.006 0.000 -0.000 -0.003 -0.000
0.000 0.000 -0.000 -0.000 0.000 0.000 0.000 -0.000
-0.000 -0.000 -0.007 0.000 -0.000 0.003 -0.000 0.000
-0.011 -0.003 0.000 0.000 -0.000 -0.000 -0.000 0.000
-0.000 -0.000 -0.000 -0.000 0.007 0.000 0.000 -0.003
0.000 0.000 0.000 0.007 0.000 -0.000 -0.003 -0.000
pseudopotential strength for first ion, spin component: 2
-3.221 -22.289 -0.000 -0.000 0.000 0.000 0.000 -0.000
-22.289 9.916 -0.000 -0.000 0.000 -0.000 -0.000 0.000
-0.000 -0.000 -25.559 -0.000 0.000 9.260 0.000 -0.000
-0.000 -0.000 -0.000 -25.581 -0.000 0.000 9.275 0.000
0.000 0.000 0.000 -0.000 -25.559 -0.000 0.000 9.260
0.000 -0.000 9.260 0.000 -0.000 5.542 -0.000 0.000
0.000 -0.000 0.000 9.275 0.000 -0.000 5.537 -0.000
-0.000 0.000 -0.000 0.000 9.260 0.000 -0.000 5.542
0.000 0.000 -0.000 -0.000 0.000 0.000 0.000 -0.000
-0.000 -0.000 -0.006 0.000 -0.000 0.003 -0.000 0.000
-0.009 -0.003 0.000 0.000 -0.000 -0.000 -0.000 0.000
-0.000 -0.000 -0.000 -0.000 0.006 0.000 0.000 -0.003
0.000 0.000 0.000 0.006 0.000 -0.000 -0.003 -0.000
0.000 0.000 -0.000 -0.000 0.000 0.000 0.000 -0.000
-0.000 -0.000 -0.007 0.000 -0.000 0.003 -0.000 0.000
-0.011 -0.003 0.000 0.000 -0.000 -0.000 -0.000 0.000
-0.000 -0.000 -0.000 -0.000 0.007 0.000 0.000 -0.003
0.000 0.000 0.000 0.007 0.000 -0.000 -0.003 -0.000
total augmentation occupancy for first ion, spin component: 1
1.990 -0.109 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -0.003 0.000 -0.000 0.000 -0.000 0.004
-0.109 1.471 0.000 -0.000 0.000 0.000 0.000 0.000 0.000 0.000 -0.091 0.000 0.000 0.000 0.000 0.067
0.000 0.000 1.968 0.000 0.000 -0.070 -0.000 0.000 -0.000 0.029 -0.000 -0.000 0.000 0.000 -0.027 -0.000
0.000 0.000 0.000 1.968 0.000 -0.000 -0.070 0.000 0.000 0.000 0.000 0.000 -0.029 -0.000 0.000 0.000
0.000 0.000 0.000 0.000 1.968 0.000 0.000 -0.070 0.000 0.000 -0.000 -0.029 0.000 0.000 0.000 0.000
0.000 0.000 -0.070 -0.000 0.000 0.195 0.000 0.000 0.000 0.284 0.000 0.000 -0.000 -0.000 -0.183 0.000
0.000 0.000 -0.000 -0.070 0.000 0.000 0.184 0.000 -0.000 0.000 -0.000 0.000 -0.214 0.000 0.000 -0.000
0.000 0.000 0.000 0.000 -0.070 0.000 0.000 0.195 -0.000 -0.000 -0.000 -0.284 -0.000 0.000 0.000 0.000
0.000 0.000 -0.000 0.000 0.000 0.000 -0.000 -0.000 2.206 -0.000 0.000 -0.000 0.000 -1.178 0.000 0.000
0.000 0.000 0.029 0.000 0.000 0.284 0.000 -0.000 -0.000 2.811 0.000 -0.000 -0.000 0.000 -1.661 0.000
-0.003 -0.091 -0.000 -0.000 -0.000 0.000 -0.000 -0.000 0.000 0.000 7.396 0.000 0.000 0.000 0.000 -4.643
0.000 0.000 -0.000 0.000 -0.029 0.000 0.000 -0.284 -0.000 -0.000 0.000 2.811 -0.000 0.000 0.000 0.000
0.000 -0.000 0.000 -0.029 0.000 -0.000 -0.214 -0.000 0.000 -0.000 0.000 -0.000 8.232 0.000 -0.000 0.000
0.000 0.000 0.000 -0.000 0.000 -0.000 0.000 0.000 -1.178 0.000 0.000 0.000 0.000 0.635 0.000 0.000
-0.000 0.000 -0.027 0.000 0.000 -0.183 0.000 0.000 0.000 -1.661 0.000 0.000 -0.000 0.000 1.000 0.000
0.004 0.067 -0.000 -0.000 0.000 0.000 -0.000 0.000 0.000 0.000 -4.643 0.000 -0.000 0.000 0.000 2.977
-0.000 -0.000 0.000 -0.000 0.027 0.000 0.000 0.183 0.000 -0.000 0.000 -1.661 0.000 0.000 -0.000 0.000
-0.000 0.000 -0.000 0.026 0.000 -0.000 0.150 -0.000 0.000 0.000 0.000 -0.000 -5.265 -0.000 0.000 -0.000
total augmentation occupancy for first ion, spin component: 2
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -0.000 -0.000 0.000 -0.000
0.000 -0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -0.000 -0.000 -0.000 0.000 -0.000 0.000 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -0.000 0.000 -0.000 0.000 -0.000 0.000 -0.000
0.000 0.000 0.000 0.000 0.000 0.000 -0.000 0.000 0.000 -0.000 -0.000 0.000 0.000 -0.000 0.000 -0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -0.000 -0.000 -0.000 0.000 -0.000 0.000 0.000 -0.000
0.000 0.000 0.000 0.000 0.000 -0.000 0.000 0.000 0.000 0.000 -0.000 -0.000 -0.000 -0.000 -0.000 0.000
0.000 0.000 0.000 -0.000 0.000 0.000 -0.000 0.000 0.000 0.000 0.000 0.000 -0.000 -0.000 0.000 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 -0.000 0.000 0.000 0.000 -0.000 -0.000 0.000 0.000 -0.000
0.000 0.000 0.000 0.000 -0.000 0.000 0.000 0.000 0.000 -0.000 0.000 -0.000 -0.000 -0.000 -0.000 -0.000
0.000 -0.000 -0.000 -0.000 -0.000 0.000 0.000 0.000 -0.000 0.000 0.000 0.000 -0.000 0.000 -0.000 -0.000
0.000 -0.000 0.000 -0.000 -0.000 -0.000 0.000 0.000 0.000 0.000 -0.000 -0.000 0.000 -0.000 -0.000 0.000
0.000 -0.000 -0.000 0.000 0.000 -0.000 0.000 -0.000 -0.000 0.000 -0.000 0.000 0.000 0.000 -0.000 0.000
-0.000 0.000 0.000 0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 0.000 0.000 0.000 0.000 -0.000 0.000
-0.000 -0.000 -0.000 -0.000 0.000 -0.000 -0.000 0.000 -0.000 0.000 -0.000 0.000 0.000 0.000 0.000 0.000
0.000 0.000 0.000 0.000 0.000 -0.000 0.000 0.000 -0.000 -0.000 -0.000 -0.000 -0.000 0.000 0.000 0.000
-0.000 0.000 -0.000 -0.000 -0.000 0.000 0.000 -0.000 -0.000 -0.000 0.000 0.000 0.000 0.000 0.000 -0.000
-0.000 0.000 -0.000 0.000 -0.000 0.000 -0.000 0.000 0.000 0.000 0.000 -0.000 -0.000 -0.000 0.000 0.000
0.000 -0.000 -0.000 -0.000 0.000 -0.000 0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 0.000 0.000
------------------------ aborting loop because EDIFF is reached ----------------------------------------
CHARGE: cpu time 1.8082: real time 1.8083
FORLOC: cpu time 0.0260: real time 0.0260
FORNL : cpu time 18.7584: real time 18.7601
STRESS: cpu time 31.3803: real time 31.3836
FORCOR: cpu time 0.1807: real time 0.1808
FORHAR: cpu time 0.0342: real time 0.0342
MIXING: cpu time 0.0058: real time 0.0058
OFIELD: cpu time 0.0001: real time 0.0001
FORCE on cell =-STRESS in cart. coord. units (eV):
Direction XX YY ZZ XY YZ ZX
--------------------------------------------------------------------------------------
Alpha Z 1415.74702 1415.74702 1415.74702
Ewald -9818.16273 -9818.16273 -6690.92402 0.00000 -0.00000 0.00000
Hartree 3208.86019 3208.86019 5289.08802 -0.00000 -0.00000 -0.00000
E(xc) -1975.64508 -1975.64508 -1974.61415 0.00000 0.00000 0.00000
Local 209.06462 209.06462 -4972.65199 0.00000 -0.00000 -0.00000
n-local -1265.44115 -1263.37605 -1264.67880 0.20481 0.11897 0.11074
augment 1164.52702 1164.52702 1160.77405 -0.00000 0.00000 0.00000
Kinetic 7066.62466 7054.39193 7036.70250 -0.54228 -0.20734 -0.19803
Fock 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000
-------------------------------------------------------------------------------------
Total 0.4907347 0.4907347 -0.5573680 0.0000000 -0.0000000 0.0000000
in kB 1.4025991 1.4025991 -1.5930478 0.0000000 -0.0000000 0.0000000
external PRESSURE = 0.4040501 kB Pullay stress = 0.0000000 kB
VOLUME and BASIS-vectors are now :
-----------------------------------------------------------------------------
energy-cutoff : 550.00
volume of cell : 560.56
direct lattice vectors reciprocal lattice vectors
7.611357650 0.000000000 0.000000000 0.131382606 0.000000000 0.000000000
0.000000000 7.611357650 0.000000000 0.000000000 0.131382606 -0.000000000
0.000000000 0.000000000 9.676082634 0.000000000 0.000000000 0.103347609
length of vectors
7.611357650 7.611357650 9.676082634 0.131382606 0.131382606 0.103347609
FORCES acting on ions
electron-ion (+dipol) ewald-force non-local-force convergence-correction
-----------------------------------------------------------------------------------------------
0.342E-12 0.191E-11 -.261E-11 -.120E-12 0.104E-13 -.711E-13 0.271E-19 0.136E-18 -.165E-16 0.468E-12 -.912E-13 -.234E-11
0.333E-12 0.108E-11 0.101E-11 -.155E-12 -.178E-14 0.702E-13 0.610E-19 -.190E-18 0.434E-18 0.648E-12 0.173E-12 -.398E-12
-.433E-13 -.108E-11 -.132E-11 -.114E-12 0.711E-14 0.192E-12 0.949E-19 -.190E-18 0.867E-18 -.136E-14 -.130E-12 0.445E-11
-.365E-13 0.131E-11 0.136E-11 -.711E-13 -.139E-12 -.226E-12 -.163E-18 -.542E-19 -.867E-18 -.163E-11 -.113E-11 0.498E-12
0.827E-12 -.196E-10 -.181E-11 -.667E-13 -.423E-13 0.782E-13 0.678E-20 0.949E-19 0.173E-17 -.488E-12 -.131E-11 -.402E-11
0.860E-12 0.956E-12 -.250E-10 -.128E-12 -.497E-13 -.817E-13 0.000E+00 -.745E-19 0.390E-17 -.308E-12 -.501E-12 -.283E-11
0.639E-12 -.102E-11 -.703E-11 -.533E-13 -.853E-13 0.142E-13 0.813E-19 -.949E-19 -.156E-16 -.352E-12 -.320E-12 0.430E-11
0.579E-12 0.621E-11 -.822E-12 -.178E-13 0.532E-13 -.924E-13 -.678E-19 0.176E-18 0.694E-17 0.152E-11 -.399E-12 0.540E-12
0.338E-12 -.329E-11 -.294E-11 -.199E-12 -.499E-13 -.924E-13 0.136E-19 -.251E-18 0.737E-17 0.449E-12 0.216E-12 -.239E-11
0.282E-12 0.574E-11 0.317E-11 -.137E-12 -.622E-14 0.622E-14 0.474E-19 0.203E-18 -.390E-17 0.464E-12 -.268E-13 0.164E-12
0.189E-14 -.478E-12 -.136E-11 -.853E-13 -.103E-12 0.234E-12 0.745E-19 0.149E-18 -.217E-17 -.166E-13 0.182E-12 0.223E-11
-.711E-13 0.197E-11 0.141E-11 -.568E-13 -.961E-13 -.249E-12 -.678E-20 0.156E-18 0.000E+00 -.115E-11 0.128E-11 0.293E-12
0.840E-12 -.872E-11 -.681E-12 -.957E-13 0.144E-13 0.284E-13 0.745E-19 -.407E-19 0.217E-17 -.465E-12 0.107E-12 -.422E-11
0.936E-12 0.251E-11 -.114E-10 -.992E-13 -.693E-13 -.162E-12 -.339E-19 0.156E-18 0.104E-16 -.135E-12 -.597E-12 -.143E-11
0.600E-12 -.580E-11 -.446E-11 -.142E-12 0.000E+00 0.639E-13 -.745E-19 -.474E-19 0.737E-17 -.329E-12 0.243E-12 0.192E-11
0.621E-12 0.735E-11 -.397E-11 -.114E-12 -.569E-13 -.426E-13 0.949E-19 -.339E-19 0.217E-17 0.105E-11 0.132E-11 0.867E-12
0.477E-13 -.597E-13 -.972E+02 0.853E-13 -.211E-13 0.104E+03 -.188E-19 0.813E-19 -.668E+01 -.275E-12 -.312E-12 0.400E-04
0.142E-12 0.777E-12 -.972E+02 -.103E-13 -.153E-13 0.104E+03 -.745E-19 0.464E-20 -.668E+01 0.311E-12 0.354E-12 0.400E-04
0.103E-12 -.167E-11 0.972E+02 0.404E-14 0.941E-13 -.104E+03 0.881E-19 0.468E-20 0.668E+01 0.302E-12 0.320E-12 -.400E-04
-.834E-13 0.299E-12 0.972E+02 0.862E-13 0.346E-13 -.104E+03 0.210E-19 0.149E-18 0.668E+01 0.156E-11 -.699E-13 -.400E-04
0.121E-12 -.299E-12 -.972E+02 0.113E-12 -.231E-13 0.104E+03 -.847E-20 0.813E-19 -.668E+01 -.330E-13 -.112E-12 0.400E-04
-.424E-13 0.167E-11 -.972E+02 -.711E-14 -.284E-13 0.104E+03 -.136E-18 0.826E-21 -.668E+01 -.117E-11 0.136E-12 0.400E-04
-.102E-13 -.143E-11 0.972E+02 -.187E-13 0.420E-13 -.104E+03 -.745E-19 -.210E-20 0.668E+01 -.399E-12 -.868E-13 -.400E-04
0.139E-12 0.161E-11 0.972E+02 0.545E-13 0.142E-13 -.104E+03 0.127E-19 -.136E-18 0.668E+01 -.294E-13 -.317E-12 -.400E-04
0.858E-13 -.436E-11 -.972E+02 0.108E-12 0.385E-14 0.104E+03 0.593E-20 0.169E-18 -.668E+01 0.250E-12 -.439E-12 0.400E-04
0.354E-12 0.299E-12 -.972E+02 0.142E-13 0.122E-12 0.104E+03 0.000E+00 -.444E-21 -.668E+01 -.229E-12 0.199E-11 0.400E-04
0.338E-12 -.185E-11 0.972E+02 -.441E-14 -.355E-14 -.104E+03 0.156E-18 -.125E-20 0.668E+01 -.306E-12 0.381E-12 -.400E-04
0.281E-12 0.299E-12 0.972E+02 0.497E-13 0.258E-13 -.104E+03 0.339E-20 -.108E-18 0.668E+01 -.178E-11 0.152E-12 -.400E-04
0.781E-13 -.299E-12 -.972E+02 0.216E-13 -.320E-13 0.104E+03 -.269E-19 -.108E-18 -.668E+01 0.229E-12 -.283E-12 0.400E-04
0.305E-12 0.173E-11 -.972E+02 0.000E+00 0.426E-13 0.104E+03 0.474E-19 -.468E-20 -.668E+01 0.117E-11 -.261E-12 0.400E-04
0.284E-12 -.657E-12 0.972E+02 -.240E-13 0.112E-12 -.104E+03 -.136E-18 -.718E-20 0.668E+01 0.278E-12 0.337E-12 -.400E-04
0.184E-12 0.717E-11 0.972E+02 0.232E-13 -.133E-13 -.104E+03 0.208E-19 0.129E-18 0.668E+01 0.346E-13 -.123E-11 -.400E-04
-.791E-13 -.119E-12 -.972E+02 0.128E-12 0.529E-14 0.104E+03 -.271E-19 -.680E-20 -.668E+01 -.398E-12 0.339E-12 0.400E-04
0.138E-12 0.221E-11 -.972E+02 0.312E-14 0.821E-15 0.104E+03 -.813E-19 0.294E-20 -.668E+01 0.158E-12 -.368E-12 0.400E-04
0.110E-12 -.717E-12 0.972E+02 0.112E-13 0.355E-13 -.104E+03 -.149E-18 -.403E-21 0.668E+01 0.143E-12 -.410E-12 -.400E-04
0.940E-13 0.125E-11 0.972E+02 0.826E-13 -.160E-13 -.104E+03 -.847E-21 -.203E-19 0.668E+01 0.340E-12 -.193E-13 -.400E-04
-.534E-13 0.239E-12 -.972E+02 0.987E-13 -.133E-13 0.104E+03 -.699E-20 0.677E-19 -.668E+01 0.282E-12 0.208E-12 0.400E-04
-.287E-13 0.173E-11 -.972E+02 0.142E-13 0.142E-13 0.104E+03 -.678E-20 -.208E-22 -.668E+01 -.525E-12 -.186E-12 0.400E-04
-.207E-13 -.143E-11 0.972E+02 0.142E-13 0.551E-13 -.104E+03 -.203E-19 0.553E-20 0.668E+01 -.318E-12 0.324E-13 -.400E-04
0.533E-13 -.597E-12 0.972E+02 0.588E-13 0.706E-14 -.104E+03 0.121E-19 0.339E-19 0.668E+01 0.219E-12 0.425E-12 -.400E-04
0.229E-12 0.305E-11 -.972E+02 0.853E-13 -.426E-13 0.104E+03 -.119E-19 -.680E-20 -.668E+01 0.372E-12 0.372E-12 0.400E-04
0.357E-12 -.257E-11 -.972E+02 0.301E-13 -.980E-14 0.104E+03 -.129E-18 -.256E-20 -.668E+01 -.735E-13 -.140E-11 0.400E-04
0.340E-12 0.651E-11 0.972E+02 0.125E-13 0.131E-12 -.104E+03 0.203E-19 0.510E-20 0.668E+01 -.150E-12 -.861E-13 -.400E-04
0.119E-12 -.281E-11 0.972E+02 0.542E-13 0.355E-14 -.104E+03 0.174E-19 0.813E-19 0.668E+01 -.557E-12 0.337E-13 -.400E-04
0.267E-12 0.144E-10 -.972E+02 0.709E-13 0.000E+00 0.104E+03 -.656E-20 0.102E-18 -.668E+01 -.915E-13 0.345E-12 0.400E-04
0.297E-12 0.239E-12 -.972E+02 0.142E-13 0.711E-14 0.104E+03 0.136E-18 0.760E-20 -.668E+01 0.526E-12 -.140E-12 0.400E-04
0.298E-12 0.227E-11 0.972E+02 0.178E-13 0.107E-12 -.104E+03 0.203E-19 0.171E-20 0.668E+01 0.201E-12 -.201E-12 -.400E-04
0.259E-12 -.359E-11 0.972E+02 0.390E-13 0.141E-13 -.104E+03 0.288E-19 0.881E-19 0.668E+01 -.210E-12 0.124E-11 -.400E-04
-----------------------------------------------------------------------------------------------
0.118E-10 0.124E-10 -.394E-10 -.424E-12 0.395E-13 0.568E-13 -.940E-19 0.706E-18 -.533E-14 -.440E-12 -.239E-12 -.356E-11
POSITION TOTAL-FORCE (eV/Angst)
-----------------------------------------------------------------------------------
1.90284 1.90284 4.83804 0.000000 0.000000 0.000000
1.90284 0.00000 7.25706 -0.000000 -0.000000 0.000000
-0.00000 -0.00000 0.00000 0.000000 0.000000 0.000000
-0.00000 1.90284 2.41902 -0.000000 -0.000000 0.000000
5.70852 1.90284 4.83804 0.000000 -0.000000 0.000000
5.70852 0.00000 7.25706 -0.000000 0.000000 0.000000
3.80568 0.00000 0.00000 0.000000 -0.000000 0.000000
3.80568 1.90284 2.41902 -0.000000 0.000000 0.000000
1.90284 5.70852 4.83804 0.000000 -0.000000 0.000000
1.90284 3.80568 7.25706 -0.000000 0.000000 0.000000
0.00000 3.80568 0.00000 0.000000 -0.000000 0.000000
-0.00000 5.70852 2.41902 -0.000000 0.000000 0.000000
5.70852 5.70852 4.83804 0.000000 0.000000 0.000000
5.70852 3.80568 7.25706 -0.000000 -0.000000 0.000000
3.80568 3.80568 0.00000 0.000000 0.000000 0.000000
3.80568 5.70852 2.41902 -0.000000 -0.000000 0.000000
0.00000 1.90284 4.42490 0.000000 -0.000000 -0.057056
1.90284 1.90284 6.84392 0.000000 -0.000000 -0.057056
1.90284 0.00000 5.25119 -0.000000 0.000000 0.057056
-0.00000 0.00000 7.67021 0.000000 0.000000 0.057056
1.90284 0.00000 9.26294 0.000000 -0.000000 -0.057056
-0.00000 0.00000 2.00588 0.000000 -0.000000 -0.057056
-0.00000 1.90284 0.41314 0.000000 0.000000 0.057056
1.90284 1.90284 2.83216 -0.000000 0.000000 0.057056
3.80568 1.90284 4.42490 0.000000 -0.000000 -0.057056
5.70852 1.90284 6.84392 0.000000 -0.000000 -0.057056
5.70852 0.00000 5.25119 -0.000000 0.000000 0.057056
3.80568 0.00000 7.67021 -0.000000 0.000000 0.057056
5.70852 0.00000 9.26294 0.000000 -0.000000 -0.057056
3.80568 0.00000 2.00588 0.000000 -0.000000 -0.057056
3.80568 1.90284 0.41314 0.000000 0.000000 0.057056
5.70852 1.90284 2.83216 0.000000 0.000000 0.057056
0.00000 5.70852 4.42490 -0.000000 -0.000000 -0.057056
1.90284 5.70852 6.84392 0.000000 -0.000000 -0.057056
1.90284 3.80568 5.25119 -0.000000 0.000000 0.057056
0.00000 3.80568 7.67021 0.000000 0.000000 0.057056
1.90284 3.80568 9.26294 -0.000000 -0.000000 -0.057056
0.00000 3.80568 2.00588 -0.000000 -0.000000 -0.057056
0.00000 5.70852 0.41314 -0.000000 0.000000 0.057056
1.90284 5.70852 2.83216 0.000000 0.000000 0.057056
3.80568 5.70852 4.42490 -0.000000 -0.000000 -0.057056
5.70852 5.70852 6.84392 0.000000 -0.000000 -0.057056
5.70852 3.80568 5.25119 0.000000 0.000000 0.057056
3.80568 3.80568 7.67021 0.000000 0.000000 0.057056
5.70852 3.80568 9.26294 -0.000000 -0.000000 -0.057056
3.80568 3.80568 2.00588 0.000000 -0.000000 -0.057056
3.80568 5.70852 0.41314 0.000000 0.000000 0.057056
5.70852 5.70852 2.83216 0.000000 0.000000 0.057056
-----------------------------------------------------------------------------------
total drift: 0.000000 0.000000 -0.000000
--------------------------------------------------------------------------------------------------------
FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
---------------------------------------------------
free energy TOTEN = -430.8992139957 eV
energy without entropy= -430.8992139957 energy(sigma->0) = -430.89921400
d Force = 0.2471571E-04[ 0.245E-04, 0.249E-04] d Energy = 0.4151130E-05 0.206E-04
d Force =-0.4455705E-01[-0.446E-01,-0.446E-01] d Ewald = 0.1459733E+01-0.150E+01
--------------------------------------------------------------------------------------------------------
POTLOK: cpu time 0.7824: real time 0.7829
--------------------------------------------------------------------------------------------------------
--------------------------------------------------------------------------------------------------------
WAVPRE: cpu time 0.0212: real time 0.0236
FEWALD: cpu time 0.0015: real time 0.0029
GENKIN: cpu time 0.0480: real time 0.0480
ORTHCH: cpu time 4.1798: real time 4.1802
LOOP+: cpu time 343.4578: real time 343.5729
--------------------------------------- Iteration 5( 1) ---------------------------------------
POTLOK: cpu time 0.1818: real time 0.1852
SETDIJ: cpu time 0.6028: real time 0.6031
EDDAV: cpu time 49.3449: real time 49.3717
CHARGE: cpu time 1.8311: real time 1.8337
MIXING: cpu time 0.0162: real time 0.0162
--------------------------------------------
LOOP: cpu time 51.9769: real time 52.0100
eigenvalue-minimisations : 19136
total energy-change (2. order) :-0.5137943E-02 (-0.1260777E+00)
number of electron 383.9999998 magnetization 0.0000000
augmentation part 76.3285207 magnetization -0.0000263
free energy = -0.430904351684E+03 energy without entropy= -0.430904351684E+03
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 5( 2) ---------------------------------------
POTLOK: cpu time 0.1893: real time 0.1917
SETDIJ: cpu time 0.5994: real time 0.5996
EDDIAG: cpu time 8.7224: real time 8.7262
RMM-DIIS: cpu time 33.9878: real time 34.0072
ORTHCH: cpu time 1.9767: real time 1.9773
CHARGE: cpu time 1.8342: real time 1.8361
MIXING: cpu time 0.0184: real time 0.0184
--------------------------------------------
LOOP: cpu time 47.3282: real time 47.3564
eigenvalue-minimisations : 21548
total energy-change (2. order) : 0.5116281E-03 (-0.3562519E-02)
number of electron 383.9999998 magnetization -0.0000000
augmentation part 76.2829094 magnetization -0.0000093
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.3639
1.3639
free energy = -0.430903840056E+03 energy without entropy= -0.430903840056E+03
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 5( 3) ---------------------------------------
POTLOK: cpu time 0.1914: real time 0.2189
SETDIJ: cpu time 0.5997: real time 0.5997
EDDIAG: cpu time 8.8464: real time 8.8476
RMM-DIIS: cpu time 35.6643: real time 35.6676
ORTHCH: cpu time 1.9622: real time 1.9624
CHARGE: cpu time 1.8430: real time 1.8437
MIXING: cpu time 0.0184: real time 0.0183
--------------------------------------------
LOOP: cpu time 49.1254: real time 49.1583
eigenvalue-minimisations : 22576
total energy-change (2. order) : 0.1507564E-02 (-0.5539006E-03)
number of electron 383.9999998 magnetization -0.0000000
augmentation part 76.2713891 magnetization 0.0000003
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.2638
0.8514 1.6761
free energy = -0.430902332492E+03 energy without entropy= -0.430902332492E+03
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 5( 4) ---------------------------------------
POTLOK: cpu time 0.1870: real time 0.1887
SETDIJ: cpu time 0.5963: real time 0.5964
EDDIAG: cpu time 8.8393: real time 8.8404
RMM-DIIS: cpu time 36.4362: real time 36.4395
ORTHCH: cpu time 2.0064: real time 2.0065
CHARGE: cpu time 1.8370: real time 1.8378
MIXING: cpu time 0.0171: real time 0.0171
--------------------------------------------
LOOP: cpu time 49.9192: real time 49.9264
eigenvalue-minimisations : 23070
total energy-change (2. order) : 0.1830787E-03 (-0.1067496E-03)
number of electron 383.9999998 magnetization -0.0000000
augmentation part 76.2619340 magnetization 0.0000083
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.2658
1.5879 1.5879 0.6215
free energy = -0.430902149413E+03 energy without entropy= -0.430902149413E+03
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 5( 5) ---------------------------------------
POTLOK: cpu time 0.2034: real time 0.2126
SETDIJ: cpu time 0.6046: real time 0.6047
EDDIAG: cpu time 8.8908: real time 8.8917
RMM-DIIS: cpu time 39.1003: real time 39.1323
ORTHCH: cpu time 1.9951: real time 1.9953
CHARGE: cpu time 1.8551: real time 1.8557
MIXING: cpu time 0.0179: real time 0.0179
--------------------------------------------
LOOP: cpu time 52.6672: real time 52.7102
eigenvalue-minimisations : 24827
total energy-change (2. order) : 0.2778386E-04 (-0.2308215E-04)
number of electron 383.9999998 magnetization 0.0000000
augmentation part 76.2663630 magnetization -0.0000018
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.3768
2.2210 1.6566 0.9870 0.6424
free energy = -0.430902121629E+03 energy without entropy= -0.430902121629E+03
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 5( 6) ---------------------------------------
POTLOK: cpu time 0.1836: real time 0.1877
SETDIJ: cpu time 0.6049: real time 0.6050
EDDIAG: cpu time 8.8117: real time 8.8179
WARNING in EDDRMM: call to ZHEGV failed, returncode = 8 4 13
WARNING in EDDRMM: call to ZHEGV failed, returncode = 6 3 20
RMM-DIIS: cpu time 40.3180: real time 40.3276
ORTHCH: cpu time 1.9419: real time 1.9421
CHARGE: cpu time 1.8177: real time 1.8182
MIXING: cpu time 0.0193: real time 0.0193
--------------------------------------------
LOOP: cpu time 53.6971: real time 53.7177
eigenvalue-minimisations : 25367
total energy-change (2. order) : 0.3334637E-05 (-0.1020413E-04)
number of electron 383.9999998 magnetization -0.0000000
augmentation part 76.2689542 magnetization 0.0000011
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.3586
2.0551 1.5439 1.5439 0.6329 1.0171
free energy = -0.430902118294E+03 energy without entropy= -0.430902118294E+03
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 5( 7) ---------------------------------------
POTLOK: cpu time 0.2165: real time 0.2239
SETDIJ: cpu time 0.5999: real time 0.6001
EDDIAG: cpu time 9.7369: real time 9.9329
WARNING in EDDRMM: call to ZHEGV failed, returncode = 8 4 24
WARNING in EDDRMM: call to ZHEGV failed, returncode = 8 4 24
RMM-DIIS: cpu time 34.1924: real time 34.2137
ORTHCH: cpu time 1.9542: real time 1.9544
CHARGE: cpu time 1.8301: real time 1.8307
MIXING: cpu time 0.0183: real time 0.0183
--------------------------------------------
LOOP: cpu time 48.5482: real time 48.7740
eigenvalue-minimisations : 20770
total energy-change (2. order) :-0.1110617E-05 (-0.3045572E-05)
number of electron 383.9999998 magnetization 0.0000000
augmentation part 76.2693465 magnetization 0.0000019
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.5305
2.4137 2.4137 1.3714 1.3714 0.6350 0.9779
free energy = -0.430902119405E+03 energy without entropy= -0.430902119405E+03
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 5( 8) ---------------------------------------
POTLOK: cpu time 0.1833: real time 0.1868
SETDIJ: cpu time 0.6010: real time 0.6010
EDDIAG: cpu time 8.8420: real time 8.8431
WARNING in EDDRMM: call to ZHEGV failed, returncode = 8 4 9
WARNING in EDDRMM: call to ZHEGV failed, returncode = 6 3 9
RMM-DIIS: cpu time 28.4485: real time 28.4627
ORTHCH: cpu time 1.9105: real time 1.9107
CHARGE: cpu time 1.8109: real time 1.8118
MIXING: cpu time 0.0174: real time 0.0174
--------------------------------------------
LOOP: cpu time 41.8136: real time 41.8336
eigenvalue-minimisations : 16879
total energy-change (2. order) : 0.2117667E-06 (-0.1196901E-05)
number of electron 383.9999998 magnetization 0.0000000
augmentation part 76.2697629 magnetization 0.0000036
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.5228
2.5752 2.1211 1.6670 1.6670 0.6338 0.9980 0.9980
free energy = -0.430902119193E+03 energy without entropy= -0.430902119193E+03
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 5( 9) ---------------------------------------
POTLOK: cpu time 0.1945: real time 0.2022
SETDIJ: cpu time 0.5978: real time 0.5979
EDDIAG: cpu time 8.6808: real time 8.6816
RMM-DIIS: cpu time 27.3523: real time 27.3562
ORTHCH: cpu time 1.9861: real time 1.9863
--------------------------------------------
LOOP: cpu time 38.8145: real time 38.8274
eigenvalue-minimisations : 16502
total energy-change (2. order) :-0.2726811E-06 (-0.5985546E-06)
number of electron 383.9999998 magnetization 0.0000000
augmentation part 76.2697629 magnetization 0.0000036
free energy = -0.430902119466E+03 energy without entropy= -0.430902119466E+03
--------------------------------------------------------------------------------------------------------
average (electrostatic) potential at core
the test charge radii are 1.0397 0.7215
(the norm of the test charge is 1.0000)
1 -77.4936 2 -77.4936 3 -77.4936 4 -77.4936 5 -77.4936
6 -77.4936 7 -77.4936 8 -77.4936 9 -77.4936 10 -77.4936
11 -77.4936 12 -77.4936 13 -77.4936 14 -77.4936 15 -77.4936
16 -77.4936 17 -70.5520 18 -70.5520 19 -70.5520 20 -70.5520
21 -70.5520 22 -70.5520 23 -70.5520 24 -70.5520 25 -70.5520
26 -70.5520 27 -70.5520 28 -70.5520 29 -70.5520 30 -70.5520
31 -70.5520 32 -70.5520 33 -70.5520 34 -70.5520 35 -70.5520
36 -70.5520 37 -70.5520 38 -70.5520 39 -70.5520 40 -70.5520
41 -70.5520 42 -70.5520 43 -70.5520 44 -70.5520 45 -70.5520
46 -70.5520 47 -70.5520 48 -70.5520
E-fermi : 3.3935 XC(G=0): -10.5854 alpha+bet :-12.2834
spin component 1
k-point 1 : 0.0833 0.0833 0.0833
band No. band energies occupation
1 -53.3495 1.00000
2 -53.3367 1.00000
3 -53.3367 1.00000
4 -53.3334 1.00000
5 -53.3334 1.00000
6 -53.3277 1.00000
7 -53.3237 1.00000
8 -53.3210 1.00000
9 -53.3208 1.00000
10 -53.3200 1.00000
11 -53.3171 1.00000
12 -53.3113 1.00000
13 -53.3113 1.00000
14 -53.3080 1.00000
15 -53.3080 1.00000
16 -53.2991 1.00000
17 -29.7739 1.00000
18 -29.7595 1.00000
19 -29.7595 1.00000
20 -29.7462 1.00000
21 -29.7462 1.00000
22 -29.7456 1.00000
23 -29.7356 1.00000
24 -29.7336 1.00000
25 -29.7245 1.00000
26 -29.6616 1.00000
27 -29.6616 1.00000
28 -29.6591 1.00000
29 -29.6591 1.00000
30 -29.6297 1.00000
31 -29.6051 1.00000
32 -29.6027 1.00000
33 -29.6003 1.00000
34 -29.5976 1.00000
35 -29.5937 1.00000
36 -29.5773 1.00000
37 -29.5684 1.00000
38 -29.5684 1.00000
39 -29.5681 1.00000
40 -29.5660 1.00000
41 -29.5660 1.00000
42 -29.5620 1.00000
43 -29.5600 1.00000
44 -29.5466 1.00000
45 -29.5466 1.00000
46 -29.5449 1.00000
47 -29.5449 1.00000
48 -29.4977 1.00000
49 -29.4962 1.00000
50 -29.4850 1.00000
51 -29.4850 1.00000
52 -29.4823 1.00000
53 -29.4823 1.00000
54 -29.4763 1.00000
55 -29.4762 1.00000
56 -29.4651 1.00000
57 -29.4582 1.00000
58 -29.4569 1.00000
59 -29.4493 1.00000
60 -29.4490 1.00000
61 -29.4490 1.00000
62 -29.4391 1.00000
63 -29.4391 1.00000
64 -29.4268 1.00000
65 -14.3935 1.00000
66 -13.9293 1.00000
67 -13.9124 1.00000
68 -13.9124 1.00000
69 -13.8611 1.00000
70 -13.8611 1.00000
71 -13.7911 1.00000
72 -13.3980 1.00000
73 -13.3245 1.00000
74 -13.2229 1.00000
75 -13.2023 1.00000
76 -13.1922 1.00000
77 -13.1922 1.00000
78 -13.1819 1.00000
79 -13.1819 1.00000
80 -13.1682 1.00000
81 -13.1349 1.00000
82 -13.1166 1.00000
83 -13.0516 1.00000
84 -13.0375 1.00000
85 -13.0375 1.00000
86 -12.9775 1.00000
87 -12.9775 1.00000
88 -12.9529 1.00000
89 -12.9255 1.00000
90 -12.9255 1.00000
91 -12.9174 1.00000
92 -12.9174 1.00000
93 -12.8412 1.00000
94 -12.8186 1.00000
95 -12.8133 1.00000
96 -12.7873 1.00000
97 -1.3434 1.00000
98 -1.3434 1.00000
99 -1.3177 1.00000
100 -1.2701 1.00000
101 -1.2638 1.00000
102 -1.1797 1.00000
103 -1.1797 1.00000
104 -1.1145 1.00000
105 -1.0567 1.00000
106 -1.0357 1.00000
107 -1.0357 1.00000
108 -0.8758 1.00000
109 -0.8282 1.00000
110 -0.7962 1.00000
111 -0.7868 1.00000
112 -0.7868 1.00000
113 -0.7203 1.00000
114 -0.6756 1.00000
115 -0.6563 1.00000
116 -0.6284 1.00000
117 -0.6153 1.00000
118 -0.5846 1.00000
119 -0.5846 1.00000
120 -0.5670 1.00000
121 -0.5670 1.00000
122 -0.5599 1.00000
123 -0.5599 1.00000
124 -0.5516 1.00000
125 -0.5516 1.00000
126 -0.5040 1.00000
127 -0.4900 1.00000
128 -0.4885 1.00000
129 -0.4565 1.00000
130 -0.4446 1.00000
131 -0.4392 1.00000
132 -0.2376 1.00000
133 0.0745 1.00000
134 0.0745 1.00000
135 0.1455 1.00000
136 0.1455 1.00000
137 0.4354 1.00000
138 0.4455 1.00000
139 0.4675 1.00000
140 0.4675 1.00000
141 0.5596 1.00000
142 0.6312 1.00000
143 0.7554 1.00000
144 0.7554 1.00000
145 0.9653 1.00000
146 0.9849 1.00000
147 0.9849 1.00000
148 1.0923 1.00000
149 1.0923 1.00000
150 1.1028 1.00000
151 1.1167 1.00000
152 1.1352 1.00000
153 1.1473 1.00000
154 1.1473 1.00000
155 1.1578 1.00000
156 1.1735 1.00000
157 1.2049 1.00000
158 1.2511 1.00000
159 1.2511 1.00000
160 1.2820 1.00000
161 1.4456 1.00000
162 1.8336 1.00000
163 1.8452 1.00000
164 1.8601 1.00000
165 1.8601 1.00000
166 1.8658 1.00000
167 1.9085 1.00000
168 1.9619 1.00000
169 1.9619 1.00000
170 2.1614 1.00000
171 2.1614 1.00000
172 2.2016 1.00000
173 2.2016 1.00000
174 2.2264 1.00000
175 2.2264 1.00000
176 2.2395 1.00000
177 2.2395 1.00000
178 2.2829 1.00000
179 2.2851 1.00000
180 2.3197 1.00000
181 2.3197 1.00000
182 2.3514 1.00000
183 2.3514 1.00000
184 2.3620 1.00000
185 2.6302 1.00000
186 2.7406 1.00000
187 2.9623 1.00000
188 2.9701 1.00000
189 2.9946 1.00000
190 3.0579 1.00000
191 3.0803 1.00000
192 3.1239 1.00000
193 5.2989 0.00000
194 5.5489 0.00000
195 5.6290 0.00000
196 5.9001 0.00000
197 6.2735 0.00000
198 6.3283 0.00000
199 6.3286 0.00000
200 6.3286 0.00000
201 6.3388 0.00000
202 6.3388 0.00000
203 6.3404 0.00000
204 6.4003 0.00000
205 6.4391 0.00000
206 6.4391 0.00000
207 6.4702 0.00000
208 6.4702 0.00000
209 6.5735 0.00000
210 6.5735 0.00000
211 6.5962 0.00000
212 6.5962 0.00000
213 6.6658 0.00000
214 6.6658 0.00000
215 6.6983 0.00000
216 6.6983 0.00000
217 6.7126 0.00000
218 6.7541 0.00000
219 6.7562 0.00000
220 6.7658 0.00000
221 6.7855 0.00000
222 6.8325 0.00000
223 6.9268 0.00000
224 6.9641 0.00000
225 7.0338 0.00000
226 7.0492 0.00000
227 7.2136 0.00000
228 7.2149 0.00000
229 7.2726 0.00000
230 7.2726 0.00000
231 7.3350 0.00000
232 7.3350 0.00000
233 7.4184 0.00000
234 7.4184 0.00000
235 7.4483 0.00000
236 7.4483 0.00000
237 7.8112 0.00000
238 7.8374 0.00000
239 7.8376 0.00000
240 7.8686 0.00000
241 7.9634 0.00000
242 8.0540 0.00000
243 8.1087 0.00000
244 8.2334 0.00000
245 8.3559 0.00000
246 8.3559 0.00000
247 8.3786 0.00000
248 8.3796 0.00000
249 8.3796 0.00000
250 8.7491 0.00000
251 8.9329 0.00000
252 9.0483 0.00000
253 9.0488 0.00000
254 9.0787 0.00000
255 9.0836 0.00000
256 9.2905 0.00000
k-point 2 : 0.2500 0.0833 0.0833
band No. band energies occupation
1 -53.3484 1.00000
2 -53.3401 1.00000
3 -53.3355 1.00000
4 -53.3323 1.00000
5 -53.3307 1.00000
6 -53.3274 1.00000
7 -53.3272 1.00000
8 -53.3240 1.00000
9 -53.3208 1.00000
10 -53.3173 1.00000
11 -53.3146 1.00000
12 -53.3141 1.00000
13 -53.3119 1.00000
14 -53.3086 1.00000
15 -53.3051 1.00000
16 -53.2997 1.00000
17 -29.7732 1.00000
18 -29.7666 1.00000
19 -29.7586 1.00000
20 -29.7518 1.00000
21 -29.7455 1.00000
22 -29.7401 1.00000
23 -29.7256 1.00000
24 -29.7181 1.00000
25 -29.7093 1.00000
26 -29.6677 1.00000
27 -29.6641 1.00000
28 -29.6546 1.00000
29 -29.6463 1.00000
30 -29.6436 1.00000
31 -29.6101 1.00000
32 -29.6042 1.00000
33 -29.6017 1.00000
34 -29.5923 1.00000
35 -29.5889 1.00000
36 -29.5769 1.00000
37 -29.5762 1.00000
38 -29.5762 1.00000
39 -29.5754 1.00000
40 -29.5710 1.00000
41 -29.5639 1.00000
42 -29.5607 1.00000
43 -29.5571 1.00000
44 -29.5531 1.00000
45 -29.5508 1.00000
46 -29.5466 1.00000
47 -29.5396 1.00000
48 -29.5049 1.00000
49 -29.4953 1.00000
50 -29.4880 1.00000
51 -29.4852 1.00000
52 -29.4817 1.00000
53 -29.4800 1.00000
54 -29.4765 1.00000
55 -29.4758 1.00000
56 -29.4728 1.00000
57 -29.4662 1.00000
58 -29.4591 1.00000
59 -29.4512 1.00000
60 -29.4473 1.00000
61 -29.4424 1.00000
62 -29.4375 1.00000
63 -29.4308 1.00000
64 -29.4247 1.00000
65 -14.3325 1.00000
66 -13.9946 1.00000
67 -13.8890 1.00000
68 -13.8368 1.00000
69 -13.8325 1.00000
70 -13.7798 1.00000
71 -13.7362 1.00000
72 -13.3624 1.00000
73 -13.3341 1.00000
74 -13.2979 1.00000
75 -13.2651 1.00000
76 -13.2163 1.00000
77 -13.2152 1.00000
78 -13.2055 1.00000
79 -13.1767 1.00000
80 -13.1480 1.00000
81 -13.1392 1.00000
82 -13.1381 1.00000
83 -13.0882 1.00000
84 -13.0651 1.00000
85 -13.0270 1.00000
86 -13.0256 1.00000
87 -12.9679 1.00000
88 -12.9366 1.00000
89 -12.9335 1.00000
90 -12.9179 1.00000
91 -12.9066 1.00000
92 -12.8827 1.00000
93 -12.8695 1.00000
94 -12.8535 1.00000
95 -12.8334 1.00000
96 -12.7933 1.00000
97 -1.4743 1.00000
98 -1.4244 1.00000
99 -1.4029 1.00000
100 -1.3512 1.00000
101 -1.3356 1.00000
102 -1.2826 1.00000
103 -1.1923 1.00000
104 -1.1366 1.00000
105 -1.0376 1.00000
106 -1.0346 1.00000
107 -0.8905 1.00000
108 -0.8741 1.00000
109 -0.8624 1.00000
110 -0.8057 1.00000
111 -0.8039 1.00000
112 -0.7937 1.00000
113 -0.7292 1.00000
114 -0.7271 1.00000
115 -0.6537 1.00000
116 -0.6527 1.00000
117 -0.6433 1.00000
118 -0.6073 1.00000
119 -0.5894 1.00000
120 -0.5848 1.00000
121 -0.5594 1.00000
122 -0.5562 1.00000
123 -0.5019 1.00000
124 -0.4017 1.00000
125 -0.4010 1.00000
126 -0.3892 1.00000
127 -0.3708 1.00000
128 -0.2823 1.00000
129 -0.2285 1.00000
130 -0.2125 1.00000
131 -0.1430 1.00000
132 -0.1405 1.00000
133 0.0665 1.00000
134 0.0841 1.00000
135 0.0897 1.00000
136 0.1326 1.00000
137 0.3015 1.00000
138 0.3304 1.00000
139 0.3813 1.00000
140 0.4662 1.00000
141 0.5811 1.00000
142 0.6533 1.00000
143 0.7305 1.00000
144 0.7493 1.00000
145 0.8500 1.00000
146 0.8923 1.00000
147 0.9337 1.00000
148 0.9416 1.00000
149 0.9466 1.00000
150 1.0132 1.00000
151 1.0248 1.00000
152 1.0436 1.00000
153 1.0838 1.00000
154 1.0922 1.00000
155 1.1384 1.00000
156 1.1646 1.00000
157 1.2644 1.00000
158 1.3482 1.00000
159 1.4266 1.00000
160 1.6055 1.00000
161 1.6255 1.00000
162 1.7182 1.00000
163 1.7574 1.00000
164 1.8303 1.00000
165 1.8705 1.00000
166 1.8751 1.00000
167 1.8894 1.00000
168 1.9425 1.00000
169 2.0256 1.00000
170 2.1059 1.00000
171 2.1307 1.00000
172 2.1708 1.00000
173 2.2228 1.00000
174 2.2325 1.00000
175 2.2557 1.00000
176 2.2777 1.00000
177 2.3126 1.00000
178 2.3368 1.00000
179 2.3587 1.00000
180 2.3755 1.00000
181 2.4087 1.00000
182 2.4106 1.00000
183 2.4660 1.00000
184 2.4937 1.00000
185 2.5361 1.00000
186 2.7585 1.00000
187 2.7776 1.00000
188 2.7973 1.00000
189 2.8629 1.00000
190 2.9540 1.00000
191 3.0764 1.00000
192 3.1110 1.00000
193 5.5796 0.00000
194 5.6659 0.00000
195 5.8514 0.00000
196 5.9520 0.00000
197 6.1693 0.00000
198 6.1984 0.00000
199 6.2100 0.00000
200 6.2427 0.00000
201 6.2538 0.00000
202 6.2611 0.00000
203 6.2778 0.00000
204 6.3416 0.00000
205 6.3513 0.00000
206 6.4172 0.00000
207 6.4331 0.00000
208 6.4433 0.00000
209 6.5627 0.00000
210 6.5699 0.00000
211 6.6000 0.00000
212 6.6049 0.00000
213 6.6051 0.00000
214 6.6059 0.00000
215 6.6087 0.00000
216 6.6286 0.00000
217 6.6648 0.00000
218 6.6715 0.00000
219 6.7283 0.00000
220 6.7443 0.00000
221 6.7671 0.00000
222 6.7873 0.00000
223 6.8008 0.00000
224 6.8077 0.00000
225 6.8341 0.00000
226 6.9636 0.00000
227 7.0580 0.00000
228 7.1009 0.00000
229 7.1066 0.00000
230 7.2076 0.00000
231 7.2629 0.00000
232 7.2950 0.00000
233 7.3580 0.00000
234 7.4330 0.00000
235 7.4365 0.00000
236 7.4500 0.00000
237 7.6749 0.00000
238 7.6980 0.00000
239 7.7584 0.00000
240 7.7954 0.00000
241 8.0693 0.00000
242 8.2265 0.00000
243 8.2938 0.00000
244 8.3549 0.00000
245 8.4058 0.00000
246 8.4483 0.00000
247 8.5890 0.00000
248 8.5944 0.00000
249 8.6979 0.00000
250 8.8519 0.00000
251 8.9807 0.00000
252 9.0113 0.00000
253 9.1244 0.00000
254 9.1437 0.00000
255 9.1842 0.00000
256 9.2181 0.00000
k-point 3 : 0.4167 0.0833 0.0833
band No. band energies occupation
1 -53.3463 1.00000
2 -53.3434 1.00000
3 -53.3334 1.00000
4 -53.3305 1.00000
5 -53.3302 1.00000
6 -53.3286 1.00000
7 -53.3275 1.00000
8 -53.3273 1.00000
9 -53.3197 1.00000
10 -53.3176 1.00000
11 -53.3149 1.00000
12 -53.3131 1.00000
13 -53.3117 1.00000
14 -53.3099 1.00000
15 -53.3027 1.00000
16 -53.3009 1.00000
17 -29.7719 1.00000
18 -29.7700 1.00000
19 -29.7571 1.00000
20 -29.7551 1.00000
21 -29.7443 1.00000
22 -29.7427 1.00000
23 -29.6989 1.00000
24 -29.6987 1.00000
25 -29.6912 1.00000
26 -29.6804 1.00000
27 -29.6749 1.00000
28 -29.6694 1.00000
29 -29.6411 1.00000
30 -29.6255 1.00000
31 -29.6250 1.00000
32 -29.5996 1.00000
33 -29.5987 1.00000
34 -29.5971 1.00000
35 -29.5884 1.00000
36 -29.5883 1.00000
37 -29.5795 1.00000
38 -29.5762 1.00000
39 -29.5752 1.00000
40 -29.5734 1.00000
41 -29.5651 1.00000
42 -29.5624 1.00000
43 -29.5622 1.00000
44 -29.5613 1.00000
45 -29.5499 1.00000
46 -29.5470 1.00000
47 -29.5298 1.00000
48 -29.5170 1.00000
49 -29.4934 1.00000
50 -29.4909 1.00000
51 -29.4837 1.00000
52 -29.4794 1.00000
53 -29.4791 1.00000
54 -29.4783 1.00000
55 -29.4772 1.00000
56 -29.4737 1.00000
57 -29.4733 1.00000
58 -29.4676 1.00000
59 -29.4472 1.00000
60 -29.4461 1.00000
61 -29.4379 1.00000
62 -29.4364 1.00000
63 -29.4254 1.00000
64 -29.4236 1.00000
65 -14.2270 1.00000
66 -14.1049 1.00000
67 -13.8519 1.00000
68 -13.8346 1.00000
69 -13.6880 1.00000
70 -13.6320 1.00000
71 -13.6047 1.00000
72 -13.5086 1.00000
73 -13.4470 1.00000
74 -13.4165 1.00000
75 -13.3071 1.00000
76 -13.2539 1.00000
77 -13.2437 1.00000
78 -13.1920 1.00000
79 -13.1833 1.00000
80 -13.1625 1.00000
81 -13.0909 1.00000
82 -13.0842 1.00000
83 -13.0779 1.00000
84 -13.0718 1.00000
85 -13.0383 1.00000
86 -12.9914 1.00000
87 -12.9807 1.00000
88 -12.9486 1.00000
89 -12.9198 1.00000
90 -12.9067 1.00000
91 -12.9032 1.00000
92 -12.9006 1.00000
93 -12.8810 1.00000
94 -12.8804 1.00000
95 -12.8755 1.00000
96 -12.8350 1.00000
97 -1.4116 1.00000
98 -1.3866 1.00000
99 -1.3510 1.00000
100 -1.3227 1.00000
101 -1.3219 1.00000
102 -1.3010 1.00000
103 -1.2533 1.00000
104 -1.1916 1.00000
105 -1.1357 1.00000
106 -1.1348 1.00000
107 -1.1145 1.00000
108 -1.0453 1.00000
109 -1.0359 1.00000
110 -1.0186 1.00000
111 -0.7735 1.00000
112 -0.7626 1.00000
113 -0.7594 1.00000
114 -0.7447 1.00000
115 -0.6369 1.00000
116 -0.6143 1.00000
117 -0.6064 1.00000
118 -0.6021 1.00000
119 -0.5902 1.00000
120 -0.5865 1.00000
121 -0.5702 1.00000
122 -0.5668 1.00000
123 -0.4418 1.00000
124 -0.4043 1.00000
125 -0.2891 1.00000
126 -0.2145 1.00000
127 -0.2130 1.00000
128 -0.1275 1.00000
129 -0.1186 1.00000
130 -0.0073 1.00000
131 0.1072 1.00000
132 0.1185 1.00000
133 0.1671 1.00000
134 0.1864 1.00000
135 0.2229 1.00000
136 0.3769 1.00000
137 0.3780 1.00000
138 0.4552 1.00000
139 0.5312 1.00000
140 0.5489 1.00000
141 0.5544 1.00000
142 0.6169 1.00000
143 0.6212 1.00000
144 0.6768 1.00000
145 0.7294 1.00000
146 0.7485 1.00000
147 0.8189 1.00000
148 0.8968 1.00000
149 0.9044 1.00000
150 0.9516 1.00000
151 1.0131 1.00000
152 1.0327 1.00000
153 1.0395 1.00000
154 1.0498 1.00000
155 1.0931 1.00000
156 1.1430 1.00000
157 1.2103 1.00000
158 1.2710 1.00000
159 1.2840 1.00000
160 1.2915 1.00000
161 1.6114 1.00000
162 1.6203 1.00000
163 1.6750 1.00000
164 1.7247 1.00000
165 1.7535 1.00000
166 1.8863 1.00000
167 1.9090 1.00000
168 1.9503 1.00000
169 1.9978 1.00000
170 2.0744 1.00000
171 2.1602 1.00000
172 2.2462 1.00000
173 2.2518 1.00000
174 2.2722 1.00000
175 2.3022 1.00000
176 2.3663 1.00000
177 2.3696 1.00000
178 2.4329 1.00000
179 2.4391 1.00000
180 2.4509 1.00000
181 2.5315 1.00000
182 2.5588 1.00000
183 2.5776 1.00000
184 2.5849 1.00000
185 2.6260 1.00000
186 2.6764 1.00000
187 2.7361 1.00000
188 2.7694 1.00000
189 2.7883 1.00000
190 2.8000 1.00000
191 2.9809 1.00000
192 3.0071 1.00000
193 5.8124 0.00000
194 5.9782 0.00000
195 5.9884 0.00000
196 6.0567 0.00000
197 6.1278 0.00000
198 6.1345 0.00000
199 6.1359 0.00000
200 6.1778 0.00000
201 6.1868 0.00000
202 6.2149 0.00000
203 6.2249 0.00000
204 6.2593 0.00000
205 6.2821 0.00000
206 6.3179 0.00000
207 6.3351 0.00000
208 6.3587 0.00000
209 6.3783 0.00000
210 6.3981 0.00000
211 6.4888 0.00000
212 6.5258 0.00000
213 6.5269 0.00000
214 6.5731 0.00000
215 6.5811 0.00000
216 6.6008 0.00000
217 6.6024 0.00000
218 6.6030 0.00000
219 6.6373 0.00000
220 6.6632 0.00000
221 6.7333 0.00000
222 6.7694 0.00000
223 6.7778 0.00000
224 6.7990 0.00000
225 6.8140 0.00000
226 6.8162 0.00000
227 6.9282 0.00000
228 6.9362 0.00000
229 7.2095 0.00000
230 7.2824 0.00000
231 7.3275 0.00000
232 7.3357 0.00000
233 7.3366 0.00000
234 7.4100 0.00000
235 7.4587 0.00000
236 7.4710 0.00000
237 7.4972 0.00000
238 7.5157 0.00000
239 7.6133 0.00000
240 7.6579 0.00000
241 8.1429 0.00000
242 8.2177 0.00000
243 8.2618 0.00000
244 8.3058 0.00000
245 8.6997 0.00000
246 8.7107 0.00000
247 8.7965 0.00000
248 8.8228 0.00000
249 8.8664 0.00000
250 8.8770 0.00000
251 8.9389 0.00000
252 8.9623 0.00000
253 9.0030 0.00000
254 9.0539 0.00000
255 9.0544 0.00000
256 9.3514 0.00000
k-point 4 : 0.2500 0.2500 0.0833
band No. band energies occupation
1 -53.3473 1.00000
2 -53.3390 1.00000
3 -53.3390 1.00000
4 -53.3306 1.00000
5 -53.3296 1.00000
6 -53.3296 1.00000
7 -53.3269 1.00000
8 -53.3222 1.00000
9 -53.3207 1.00000
10 -53.3196 1.00000
11 -53.3152 1.00000
12 -53.3152 1.00000
13 -53.3112 1.00000
14 -53.3057 1.00000
15 -53.3057 1.00000
16 -53.3003 1.00000
17 -29.7724 1.00000
18 -29.7657 1.00000
19 -29.7657 1.00000
20 -29.7584 1.00000
21 -29.7254 1.00000
22 -29.7252 1.00000
23 -29.7252 1.00000
24 -29.7192 1.00000
25 -29.6947 1.00000
26 -29.6627 1.00000
27 -29.6627 1.00000
28 -29.6507 1.00000
29 -29.6507 1.00000
30 -29.6507 1.00000
31 -29.6266 1.00000
32 -29.6030 1.00000
33 -29.5969 1.00000
34 -29.5896 1.00000
35 -29.5840 1.00000
36 -29.5808 1.00000
37 -29.5776 1.00000
38 -29.5776 1.00000
39 -29.5737 1.00000
40 -29.5737 1.00000
41 -29.5729 1.00000
42 -29.5675 1.00000
43 -29.5558 1.00000
44 -29.5532 1.00000
45 -29.5532 1.00000
46 -29.5448 1.00000
47 -29.5448 1.00000
48 -29.5102 1.00000
49 -29.4965 1.00000
50 -29.4890 1.00000
51 -29.4890 1.00000
52 -29.4795 1.00000
53 -29.4788 1.00000
54 -29.4788 1.00000
55 -29.4761 1.00000
56 -29.4752 1.00000
57 -29.4623 1.00000
58 -29.4588 1.00000
59 -29.4573 1.00000
60 -29.4573 1.00000
61 -29.4350 1.00000
62 -29.4293 1.00000
63 -29.4293 1.00000
64 -29.4229 1.00000
65 -14.2694 1.00000
66 -13.9175 1.00000
67 -13.9175 1.00000
68 -13.8302 1.00000
69 -13.7546 1.00000
70 -13.7546 1.00000
71 -13.6997 1.00000
72 -13.4518 1.00000
73 -13.3250 1.00000
74 -13.2733 1.00000
75 -13.2541 1.00000
76 -13.2038 1.00000
77 -13.2038 1.00000
78 -13.1989 1.00000
79 -13.1746 1.00000
80 -13.1714 1.00000
81 -13.1714 1.00000
82 -13.1335 1.00000
83 -13.1335 1.00000
84 -13.1233 1.00000
85 -13.0531 1.00000
86 -13.0531 1.00000
87 -13.0193 1.00000
88 -12.9369 1.00000
89 -12.9270 1.00000
90 -12.9270 1.00000
91 -12.9217 1.00000
92 -12.8817 1.00000
93 -12.8635 1.00000
94 -12.8588 1.00000
95 -12.8588 1.00000
96 -12.7814 1.00000
97 -1.4841 1.00000
98 -1.4660 1.00000
99 -1.4660 1.00000
100 -1.4224 1.00000
101 -1.4050 1.00000
102 -1.3620 1.00000
103 -1.3620 1.00000
104 -1.2259 1.00000
105 -0.9452 1.00000
106 -0.9272 1.00000
107 -0.8948 1.00000
108 -0.8605 1.00000
109 -0.8229 1.00000
110 -0.8229 1.00000
111 -0.8209 1.00000
112 -0.8209 1.00000
113 -0.8058 1.00000
114 -0.8058 1.00000
115 -0.7995 1.00000
116 -0.7393 1.00000
117 -0.5253 1.00000
118 -0.4858 1.00000
119 -0.4858 1.00000
120 -0.4573 1.00000
121 -0.3695 1.00000
122 -0.3695 1.00000
123 -0.3566 1.00000
124 -0.3422 1.00000
125 -0.3089 1.00000
126 -0.2101 1.00000
127 -0.2020 1.00000
128 -0.2020 1.00000
129 -0.1452 1.00000
130 -0.1448 1.00000
131 -0.0883 1.00000
132 -0.0841 1.00000
133 0.0832 1.00000
134 0.0832 1.00000
135 0.1100 1.00000
136 0.1100 1.00000
137 0.2381 1.00000
138 0.3144 1.00000
139 0.3144 1.00000
140 0.3846 1.00000
141 0.4397 1.00000
142 0.4569 1.00000
143 0.6996 1.00000
144 0.6996 1.00000
145 0.8026 1.00000
146 0.8026 1.00000
147 0.8391 1.00000
148 0.8522 1.00000
149 0.9412 1.00000
150 1.0046 1.00000
151 1.0046 1.00000
152 1.0329 1.00000
153 1.1052 1.00000
154 1.1052 1.00000
155 1.2344 1.00000
156 1.3254 1.00000
157 1.3655 1.00000
158 1.3655 1.00000
159 1.3999 1.00000
160 1.5828 1.00000
161 1.6070 1.00000
162 1.6370 1.00000
163 1.8333 1.00000
164 1.8333 1.00000
165 1.9392 1.00000
166 1.9392 1.00000
167 1.9762 1.00000
168 1.9912 1.00000
169 2.0149 1.00000
170 2.0356 1.00000
171 2.0356 1.00000
172 2.1050 1.00000
173 2.1050 1.00000
174 2.1090 1.00000
175 2.1106 1.00000
176 2.2104 1.00000
177 2.3803 1.00000
178 2.3803 1.00000
179 2.4304 1.00000
180 2.4712 1.00000
181 2.4712 1.00000
182 2.5411 1.00000
183 2.5411 1.00000
184 2.6121 1.00000
185 2.6265 1.00000
186 2.6265 1.00000
187 2.6685 1.00000
188 2.7220 1.00000
189 2.8599 1.00000
190 2.9558 1.00000
191 3.0235 1.00000
192 3.0951 1.00000
193 5.8026 0.00000
194 5.8638 0.00000
195 5.8932 0.00000
196 5.9675 0.00000
197 6.1304 0.00000
198 6.1364 0.00000
199 6.1364 0.00000
200 6.1639 0.00000
201 6.1639 0.00000
202 6.2556 0.00000
203 6.2842 0.00000
204 6.2842 0.00000
205 6.2962 0.00000
206 6.3306 0.00000
207 6.3306 0.00000
208 6.4655 0.00000
209 6.4759 0.00000
210 6.4822 0.00000
211 6.5660 0.00000
212 6.5660 0.00000
213 6.5824 0.00000
214 6.5825 0.00000
215 6.5825 0.00000
216 6.6078 0.00000
217 6.6478 0.00000
218 6.6661 0.00000
219 6.6661 0.00000
220 6.6953 0.00000
221 6.7335 0.00000
222 6.7335 0.00000
223 6.7737 0.00000
224 6.8224 0.00000
225 6.8268 0.00000
226 6.8857 0.00000
227 6.8889 0.00000
228 6.9948 0.00000
229 6.9948 0.00000
230 7.0062 0.00000
231 7.1439 0.00000
232 7.1439 0.00000
233 7.2652 0.00000
234 7.2652 0.00000
235 7.3921 0.00000
236 7.3921 0.00000
237 7.5348 0.00000
238 7.6102 0.00000
239 7.6108 0.00000
240 7.7253 0.00000
241 8.3557 0.00000
242 8.3650 0.00000
243 8.5036 0.00000
244 8.5441 0.00000
245 8.5441 0.00000
246 8.5630 0.00000
247 8.5630 0.00000
248 8.7724 0.00000
249 8.8943 0.00000
250 9.0056 0.00000
251 9.0833 0.00000
252 9.0835 0.00000
253 9.1361 0.00000
254 9.1803 0.00000
255 9.2572 0.00000
256 9.3095 0.00000
k-point 5 : 0.4167 0.2500 0.0833
band No. band energies occupation
1 -53.3452 1.00000
2 -53.3423 1.00000
3 -53.3369 1.00000
4 -53.3340 1.00000
5 -53.3276 1.00000
6 -53.3275 1.00000
7 -53.3267 1.00000
8 -53.3247 1.00000
9 -53.3201 1.00000
10 -53.3181 1.00000
11 -53.3181 1.00000
12 -53.3163 1.00000
13 -53.3088 1.00000
14 -53.3069 1.00000
15 -53.3033 1.00000
16 -53.3015 1.00000
17 -29.7711 1.00000
18 -29.7692 1.00000
19 -29.7642 1.00000
20 -29.7620 1.00000
21 -29.7247 1.00000
22 -29.7243 1.00000
23 -29.6999 1.00000
24 -29.6991 1.00000
25 -29.6787 1.00000
26 -29.6770 1.00000
27 -29.6712 1.00000
28 -29.6610 1.00000
29 -29.6525 1.00000
30 -29.6410 1.00000
31 -29.6295 1.00000
32 -29.6048 1.00000
33 -29.5975 1.00000
34 -29.5923 1.00000
35 -29.5871 1.00000
36 -29.5859 1.00000
37 -29.5790 1.00000
38 -29.5767 1.00000
39 -29.5743 1.00000
40 -29.5722 1.00000
41 -29.5706 1.00000
42 -29.5687 1.00000
43 -29.5652 1.00000
44 -29.5553 1.00000
45 -29.5539 1.00000
46 -29.5530 1.00000
47 -29.5345 1.00000
48 -29.5216 1.00000
49 -29.4953 1.00000
50 -29.4925 1.00000
51 -29.4885 1.00000
52 -29.4851 1.00000
53 -29.4769 1.00000
54 -29.4760 1.00000
55 -29.4754 1.00000
56 -29.4722 1.00000
57 -29.4692 1.00000
58 -29.4660 1.00000
59 -29.4567 1.00000
60 -29.4560 1.00000
61 -29.4302 1.00000
62 -29.4284 1.00000
63 -29.4239 1.00000
64 -29.4219 1.00000
65 -14.1597 1.00000
66 -14.0324 1.00000
67 -13.7794 1.00000
68 -13.7738 1.00000
69 -13.7525 1.00000
70 -13.6110 1.00000
71 -13.6053 1.00000
72 -13.5877 1.00000
73 -13.4186 1.00000
74 -13.4040 1.00000
75 -13.2669 1.00000
76 -13.2229 1.00000
77 -13.2113 1.00000
78 -13.2039 1.00000
79 -13.2007 1.00000
80 -13.1505 1.00000
81 -13.1464 1.00000
82 -13.1399 1.00000
83 -13.1047 1.00000
84 -13.0658 1.00000
85 -13.0477 1.00000
86 -13.0445 1.00000
87 -13.0282 1.00000
88 -12.9887 1.00000
89 -12.9858 1.00000
90 -12.9470 1.00000
91 -12.9144 1.00000
92 -12.8952 1.00000
93 -12.8939 1.00000
94 -12.8643 1.00000
95 -12.8362 1.00000
96 -12.8041 1.00000
97 -1.4647 1.00000
98 -1.4514 1.00000
99 -1.4342 1.00000
100 -1.4033 1.00000
101 -1.3965 1.00000
102 -1.3516 1.00000
103 -1.3342 1.00000
104 -1.1962 1.00000
105 -1.1826 1.00000
106 -1.1519 1.00000
107 -1.1308 1.00000
108 -1.0570 1.00000
109 -0.9035 1.00000
110 -0.8587 1.00000
111 -0.8561 1.00000
112 -0.8349 1.00000
113 -0.8263 1.00000
114 -0.8182 1.00000
115 -0.7799 1.00000
116 -0.7575 1.00000
117 -0.4658 1.00000
118 -0.4658 1.00000
119 -0.4070 1.00000
120 -0.3585 1.00000
121 -0.3133 1.00000
122 -0.2587 1.00000
123 -0.2559 1.00000
124 -0.2483 1.00000
125 -0.1979 1.00000
126 -0.1790 1.00000
127 -0.1666 1.00000
128 -0.1191 1.00000
129 -0.0913 1.00000
130 0.0613 1.00000
131 0.1223 1.00000
132 0.1481 1.00000
133 0.1530 1.00000
134 0.1706 1.00000
135 0.2506 1.00000
136 0.3582 1.00000
137 0.3784 1.00000
138 0.4179 1.00000
139 0.4263 1.00000
140 0.5007 1.00000
141 0.5042 1.00000
142 0.5380 1.00000
143 0.5414 1.00000
144 0.6221 1.00000
145 0.6348 1.00000
146 0.6505 1.00000
147 0.6783 1.00000
148 0.7415 1.00000
149 0.8264 1.00000
150 0.8298 1.00000
151 1.0851 1.00000
152 1.1321 1.00000
153 1.1494 1.00000
154 1.1495 1.00000
155 1.1677 1.00000
156 1.2244 1.00000
157 1.2828 1.00000
158 1.3331 1.00000
159 1.3617 1.00000
160 1.4242 1.00000
161 1.4976 1.00000
162 1.5310 1.00000
163 1.6016 1.00000
164 1.6696 1.00000
165 1.7711 1.00000
166 1.7868 1.00000
167 1.8735 1.00000
168 2.0208 1.00000
169 2.0340 1.00000
170 2.0579 1.00000
171 2.1000 1.00000
172 2.1079 1.00000
173 2.1185 1.00000
174 2.2498 1.00000
175 2.2794 1.00000
176 2.2915 1.00000
177 2.4232 1.00000
178 2.4507 1.00000
179 2.4687 1.00000
180 2.4844 1.00000
181 2.5048 1.00000
182 2.5355 1.00000
183 2.5846 1.00000
184 2.6269 1.00000
185 2.6640 1.00000
186 2.7611 1.00000
187 2.7634 1.00000
188 2.8389 1.00000
189 2.8398 1.00000
190 2.8641 1.00000
191 2.9449 1.00000
192 3.0074 1.00000
193 5.9472 0.00000
194 6.0025 0.00000
195 6.0485 0.00000
196 6.0624 0.00000
197 6.0662 0.00000
198 6.0743 0.00000
199 6.1335 0.00000
200 6.1569 0.00000
201 6.1599 0.00000
202 6.1936 0.00000
203 6.2104 0.00000
204 6.2366 0.00000
205 6.2467 0.00000
206 6.2473 0.00000
207 6.2606 0.00000
208 6.2938 0.00000
209 6.3064 0.00000
210 6.4903 0.00000
211 6.5121 0.00000
212 6.5198 0.00000
213 6.5232 0.00000
214 6.5603 0.00000
215 6.5632 0.00000
216 6.5757 0.00000
217 6.6057 0.00000
218 6.6200 0.00000
219 6.6694 0.00000
220 6.6696 0.00000
221 6.6715 0.00000
222 6.6971 0.00000
223 6.7032 0.00000
224 6.7545 0.00000
225 6.7659 0.00000
226 6.7710 0.00000
227 6.7915 0.00000
228 6.8446 0.00000
229 7.0108 0.00000
230 7.1014 0.00000
231 7.1075 0.00000
232 7.1520 0.00000
233 7.2452 0.00000
234 7.2634 0.00000
235 7.2774 0.00000
236 7.3172 0.00000
237 7.4037 0.00000
238 7.4522 0.00000
239 7.4527 0.00000
240 7.5896 0.00000
241 8.4272 0.00000
242 8.4552 0.00000
243 8.4836 0.00000
244 8.5122 0.00000
245 8.7279 0.00000
246 8.7357 0.00000
247 8.8029 0.00000
248 8.8713 0.00000
249 8.9111 0.00000
250 8.9814 0.00000
251 9.0849 0.00000
252 9.1359 0.00000
253 9.1866 0.00000
254 9.1923 0.00000
255 9.2713 0.00000
256 9.3286 0.00000
k-point 6 : 0.4167 0.4167 0.0833
band No. band energies occupation
1 -53.3430 1.00000
2 -53.3402 1.00000
3 -53.3402 1.00000
4 -53.3373 1.00000
5 -53.3257 1.00000
6 -53.3257 1.00000
7 -53.3256 1.00000
8 -53.3239 1.00000
9 -53.3203 1.00000
10 -53.3198 1.00000
11 -53.3191 1.00000
12 -53.3191 1.00000
13 -53.3063 1.00000
14 -53.3045 1.00000
15 -53.3045 1.00000
16 -53.3027 1.00000
17 -29.7697 1.00000
18 -29.7677 1.00000
19 -29.7677 1.00000
20 -29.7656 1.00000
21 -29.7052 1.00000
22 -29.7002 1.00000
23 -29.7002 1.00000
24 -29.6941 1.00000
25 -29.6785 1.00000
26 -29.6728 1.00000
27 -29.6728 1.00000
28 -29.6618 1.00000
29 -29.6581 1.00000
30 -29.6405 1.00000
31 -29.6405 1.00000
32 -29.6190 1.00000
33 -29.5934 1.00000
34 -29.5860 1.00000
35 -29.5847 1.00000
36 -29.5847 1.00000
37 -29.5810 1.00000
38 -29.5810 1.00000
39 -29.5800 1.00000
40 -29.5759 1.00000
41 -29.5739 1.00000
42 -29.5636 1.00000
43 -29.5636 1.00000
44 -29.5597 1.00000
45 -29.5572 1.00000
46 -29.5445 1.00000
47 -29.5445 1.00000
48 -29.5318 1.00000
49 -29.4952 1.00000
50 -29.4926 1.00000
51 -29.4926 1.00000
52 -29.4899 1.00000
53 -29.4734 1.00000
54 -29.4731 1.00000
55 -29.4731 1.00000
56 -29.4704 1.00000
57 -29.4680 1.00000
58 -29.4647 1.00000
59 -29.4647 1.00000
60 -29.4637 1.00000
61 -29.4251 1.00000
62 -29.4231 1.00000
63 -29.4231 1.00000
64 -29.4211 1.00000
65 -14.0419 1.00000
66 -13.9042 1.00000
67 -13.9042 1.00000
68 -13.7514 1.00000
69 -13.6547 1.00000
70 -13.6047 1.00000
71 -13.6047 1.00000
72 -13.5403 1.00000
73 -13.4445 1.00000
74 -13.3891 1.00000
75 -13.3891 1.00000
76 -13.3556 1.00000
77 -13.2045 1.00000
78 -13.1797 1.00000
79 -13.1456 1.00000
80 -13.1456 1.00000
81 -13.1124 1.00000
82 -13.1124 1.00000
83 -13.0878 1.00000
84 -13.0862 1.00000
85 -13.0611 1.00000
86 -13.0611 1.00000
87 -13.0577 1.00000
88 -13.0439 1.00000
89 -12.9813 1.00000
90 -12.9746 1.00000
91 -12.9746 1.00000
92 -12.9490 1.00000
93 -12.8695 1.00000
94 -12.8422 1.00000
95 -12.8422 1.00000
96 -12.8152 1.00000
97 -1.4484 1.00000
98 -1.3889 1.00000
99 -1.3889 1.00000
100 -1.3863 1.00000
101 -1.3731 1.00000
102 -1.3731 1.00000
103 -1.3527 1.00000
104 -1.2347 1.00000
105 -1.1849 1.00000
106 -1.1737 1.00000
107 -1.1449 1.00000
108 -1.1446 1.00000
109 -1.1446 1.00000
110 -1.0523 1.00000
111 -1.0523 1.00000
112 -1.0050 1.00000
113 -0.8557 1.00000
114 -0.8132 1.00000
115 -0.8132 1.00000
116 -0.7819 1.00000
117 -0.3425 1.00000
118 -0.3425 1.00000
119 -0.2964 1.00000
120 -0.2690 1.00000
121 -0.2606 1.00000
122 -0.2284 1.00000
123 -0.1222 1.00000
124 -0.1222 1.00000
125 -0.1170 1.00000
126 -0.0697 1.00000
127 -0.0697 1.00000
128 0.0560 1.00000
129 0.1661 1.00000
130 0.2322 1.00000
131 0.2820 1.00000
132 0.2820 1.00000
133 0.3130 1.00000
134 0.3130 1.00000
135 0.3513 1.00000
136 0.3905 1.00000
137 0.4629 1.00000
138 0.4824 1.00000
139 0.4824 1.00000
140 0.5093 1.00000
141 0.5144 1.00000
142 0.5249 1.00000
143 0.5267 1.00000
144 0.5366 1.00000
145 0.5366 1.00000
146 0.6103 1.00000
147 0.6103 1.00000
148 0.6419 1.00000
149 0.8238 1.00000
150 0.8777 1.00000
151 0.8777 1.00000
152 0.9582 1.00000
153 1.1377 1.00000
154 1.1723 1.00000
155 1.1723 1.00000
156 1.1846 1.00000
157 1.1931 1.00000
158 1.2930 1.00000
159 1.3116 1.00000
160 1.3116 1.00000
161 1.3556 1.00000
162 1.3556 1.00000
163 1.4643 1.00000
164 1.4875 1.00000
165 1.7267 1.00000
166 1.8203 1.00000
167 1.8203 1.00000
168 1.8918 1.00000
169 2.0447 1.00000
170 2.0524 1.00000
171 2.0855 1.00000
172 2.0855 1.00000
173 2.1665 1.00000
174 2.1665 1.00000
175 2.1689 1.00000
176 2.3665 1.00000
177 2.4418 1.00000
178 2.5300 1.00000
179 2.5300 1.00000
180 2.5472 1.00000
181 2.5598 1.00000
182 2.6441 1.00000
183 2.6441 1.00000
184 2.6831 1.00000
185 2.7703 1.00000
186 2.7703 1.00000
187 2.7851 1.00000
188 2.8865 1.00000
189 2.8865 1.00000
190 2.8942 1.00000
191 2.9210 1.00000
192 2.9680 1.00000
193 5.9871 0.00000
194 6.0117 0.00000
195 6.0117 0.00000
196 6.0230 0.00000
197 6.0719 0.00000
198 6.1052 0.00000
199 6.1052 0.00000
200 6.1219 0.00000
201 6.1461 0.00000
202 6.1817 0.00000
203 6.1828 0.00000
204 6.1828 0.00000
205 6.1843 0.00000
206 6.1843 0.00000
207 6.2162 0.00000
208 6.2174 0.00000
209 6.4180 0.00000
210 6.5061 0.00000
211 6.5152 0.00000
212 6.5152 0.00000
213 6.5165 0.00000
214 6.5337 0.00000
215 6.5439 0.00000
216 6.5439 0.00000
217 6.5513 0.00000
218 6.5781 0.00000
219 6.5781 0.00000
220 6.5818 0.00000
221 6.6519 0.00000
222 6.7155 0.00000
223 6.7155 0.00000
224 6.7185 0.00000
225 6.7484 0.00000
226 6.8307 0.00000
227 6.8307 0.00000
228 6.8576 0.00000
229 6.8794 0.00000
230 7.0238 0.00000
231 7.0238 0.00000
232 7.0741 0.00000
233 7.0782 0.00000
234 7.0782 0.00000
235 7.1584 0.00000
236 7.2255 0.00000
237 7.2348 0.00000
238 7.3109 0.00000
239 7.3109 0.00000
240 7.4509 0.00000
241 8.5544 0.00000
242 8.6437 0.00000
243 8.6437 0.00000
244 8.6609 0.00000
245 8.7493 0.00000
246 8.7493 0.00000
247 8.7625 0.00000
248 8.8324 0.00000
249 8.8960 0.00000
250 8.9726 0.00000
251 8.9726 0.00000
252 9.0581 0.00000
253 9.3933 0.00000
254 9.4886 0.00000
255 9.5899 0.00000
256 9.6060 0.00000
k-point 7 : 0.0833 0.0833 0.2500
band No. band energies occupation
1 -53.3478 1.00000
2 -53.3363 1.00000
3 -53.3363 1.00000
4 -53.3341 1.00000
5 -53.3339 1.00000
6 -53.3339 1.00000
7 -53.3235 1.00000
8 -53.3217 1.00000
9 -53.3191 1.00000
10 -53.3173 1.00000
11 -53.3146 1.00000
12 -53.3108 1.00000
13 -53.3108 1.00000
14 -53.3084 1.00000
15 -53.3084 1.00000
16 -53.3008 1.00000
17 -29.7626 1.00000
18 -29.7554 1.00000
19 -29.7554 1.00000
20 -29.7450 1.00000
21 -29.7450 1.00000
22 -29.7445 1.00000
23 -29.7378 1.00000
24 -29.7315 1.00000
25 -29.7256 1.00000
26 -29.6714 1.00000
27 -29.6685 1.00000
28 -29.6685 1.00000
29 -29.6656 1.00000
30 -29.6656 1.00000
31 -29.6055 1.00000
32 -29.6048 1.00000
33 -29.5981 1.00000
34 -29.5972 1.00000
35 -29.5821 1.00000
36 -29.5767 1.00000
37 -29.5682 1.00000
38 -29.5682 1.00000
39 -29.5664 1.00000
40 -29.5664 1.00000
41 -29.5655 1.00000
42 -29.5633 1.00000
43 -29.5394 1.00000
44 -29.5394 1.00000
45 -29.5389 1.00000
46 -29.5389 1.00000
47 -29.5337 1.00000
48 -29.4945 1.00000
49 -29.4929 1.00000
50 -29.4846 1.00000
51 -29.4846 1.00000
52 -29.4825 1.00000
53 -29.4825 1.00000
54 -29.4785 1.00000
55 -29.4782 1.00000
56 -29.4643 1.00000
57 -29.4597 1.00000
58 -29.4554 1.00000
59 -29.4505 1.00000
60 -29.4505 1.00000
61 -29.4502 1.00000
62 -29.4428 1.00000
63 -29.4428 1.00000
64 -29.4386 1.00000
65 -14.3568 1.00000
66 -14.0642 1.00000
67 -13.9054 1.00000
68 -13.9054 1.00000
69 -13.8678 1.00000
70 -13.8678 1.00000
71 -13.6596 1.00000
72 -13.4073 1.00000
73 -13.3387 1.00000
74 -13.2710 1.00000
75 -13.1965 1.00000
76 -13.1915 1.00000
77 -13.1915 1.00000
78 -13.1840 1.00000
79 -13.1840 1.00000
80 -13.1533 1.00000
81 -13.1107 1.00000
82 -13.0990 1.00000
83 -13.0575 1.00000
84 -13.0347 1.00000
85 -13.0347 1.00000
86 -12.9928 1.00000
87 -12.9928 1.00000
88 -12.9718 1.00000
89 -12.9186 1.00000
90 -12.9186 1.00000
91 -12.9107 1.00000
92 -12.9107 1.00000
93 -12.8385 1.00000
94 -12.8237 1.00000
95 -12.8074 1.00000
96 -12.7900 1.00000
97 -1.3312 1.00000
98 -1.3312 1.00000
99 -1.2893 1.00000
100 -1.2512 1.00000
101 -1.2379 1.00000
102 -1.2248 1.00000
103 -1.2248 1.00000
104 -1.1468 1.00000
105 -0.9796 1.00000
106 -0.9787 1.00000
107 -0.9787 1.00000
108 -0.9103 1.00000
109 -0.8208 1.00000
110 -0.8186 1.00000
111 -0.8186 1.00000
112 -0.7853 1.00000
113 -0.6784 1.00000
114 -0.6705 1.00000
115 -0.6474 1.00000
116 -0.6440 1.00000
117 -0.6127 1.00000
118 -0.5648 1.00000
119 -0.5648 1.00000
120 -0.5538 1.00000
121 -0.5538 1.00000
122 -0.5463 1.00000
123 -0.5463 1.00000
124 -0.5321 1.00000
125 -0.5078 1.00000
126 -0.5078 1.00000
127 -0.5022 1.00000
128 -0.4827 1.00000
129 -0.4710 1.00000
130 -0.4646 1.00000
131 -0.4363 1.00000
132 -0.2961 1.00000
133 -0.0337 1.00000
134 -0.0337 1.00000
135 -0.0281 1.00000
136 -0.0281 1.00000
137 0.2628 1.00000
138 0.3076 1.00000
139 0.4443 1.00000
140 0.4812 1.00000
141 0.6802 1.00000
142 0.6802 1.00000
143 0.9083 1.00000
144 0.9083 1.00000
145 0.9923 1.00000
146 0.9923 1.00000
147 1.0389 1.00000
148 1.0389 1.00000
149 1.1016 1.00000
150 1.1028 1.00000
151 1.1501 1.00000
152 1.1585 1.00000
153 1.1896 1.00000
154 1.1896 1.00000
155 1.2268 1.00000
156 1.2527 1.00000
157 1.2527 1.00000
158 1.2983 1.00000
159 1.3188 1.00000
160 1.5168 1.00000
161 1.5977 1.00000
162 1.6154 1.00000
163 1.6154 1.00000
164 1.7237 1.00000
165 1.7237 1.00000
166 1.7670 1.00000
167 1.8773 1.00000
168 1.8992 1.00000
169 1.9854 1.00000
170 2.1819 1.00000
171 2.1918 1.00000
172 2.2260 1.00000
173 2.2260 1.00000
174 2.2346 1.00000
175 2.2346 1.00000
176 2.2661 1.00000
177 2.2661 1.00000
178 2.2764 1.00000
179 2.2764 1.00000
180 2.3188 1.00000
181 2.4178 1.00000
182 2.4178 1.00000
183 2.4216 1.00000
184 2.4216 1.00000
185 2.7083 1.00000
186 2.7893 1.00000
187 2.9243 1.00000
188 2.9309 1.00000
189 2.9542 1.00000
190 2.9613 1.00000
191 3.0231 1.00000
192 3.0438 1.00000
193 5.3176 0.00000
194 5.4732 0.00000
195 5.7077 0.00000
196 5.8786 0.00000
197 6.2863 0.00000
198 6.2863 0.00000
199 6.2959 0.00000
200 6.2959 0.00000
201 6.3397 0.00000
202 6.3786 0.00000
203 6.4153 0.00000
204 6.4602 0.00000
205 6.4728 0.00000
206 6.4728 0.00000
207 6.4862 0.00000
208 6.4862 0.00000
209 6.5986 0.00000
210 6.5986 0.00000
211 6.6060 0.00000
212 6.6060 0.00000
213 6.6630 0.00000
214 6.6630 0.00000
215 6.6656 0.00000
216 6.6857 0.00000
217 6.6857 0.00000
218 6.6941 0.00000
219 6.7494 0.00000
220 6.7646 0.00000
221 6.7707 0.00000
222 6.7709 0.00000
223 6.8778 0.00000
224 6.8981 0.00000
225 7.0970 0.00000
226 7.0973 0.00000
227 7.2035 0.00000
228 7.2052 0.00000
229 7.2577 0.00000
230 7.2577 0.00000
231 7.2983 0.00000
232 7.2983 0.00000
233 7.4400 0.00000
234 7.4400 0.00000
235 7.4555 0.00000
236 7.4555 0.00000
237 7.8154 0.00000
238 7.8348 0.00000
239 7.8368 0.00000
240 7.8600 0.00000
241 7.8991 0.00000
242 8.0149 0.00000
243 8.1447 0.00000
244 8.3168 0.00000
245 8.3435 0.00000
246 8.3541 0.00000
247 8.3541 0.00000
248 8.3744 0.00000
249 8.3744 0.00000
250 8.6061 0.00000
251 9.0538 0.00000
252 9.0546 0.00000
253 9.0789 0.00000
254 9.0793 0.00000
255 9.1458 0.00000
256 9.2929 0.00000
k-point 8 : 0.2500 0.0833 0.2500
band No. band energies occupation
1 -53.3467 1.00000
2 -53.3392 1.00000
3 -53.3352 1.00000
4 -53.3335 1.00000
5 -53.3328 1.00000
6 -53.3325 1.00000
7 -53.3269 1.00000
8 -53.3246 1.00000
9 -53.3168 1.00000
10 -53.3146 1.00000
11 -53.3145 1.00000
12 -53.3128 1.00000
13 -53.3114 1.00000
14 -53.3090 1.00000
15 -53.3061 1.00000
16 -53.3013 1.00000
17 -29.7623 1.00000
18 -29.7603 1.00000
19 -29.7548 1.00000
20 -29.7498 1.00000
21 -29.7445 1.00000
22 -29.7409 1.00000
23 -29.7287 1.00000
24 -29.7179 1.00000
25 -29.7112 1.00000
26 -29.6776 1.00000
27 -29.6733 1.00000
28 -29.6698 1.00000
29 -29.6610 1.00000
30 -29.6522 1.00000
31 -29.6054 1.00000
32 -29.6046 1.00000
33 -29.5999 1.00000
34 -29.5890 1.00000
35 -29.5876 1.00000
36 -29.5801 1.00000
37 -29.5778 1.00000
38 -29.5764 1.00000
39 -29.5761 1.00000
40 -29.5704 1.00000
41 -29.5650 1.00000
42 -29.5637 1.00000
43 -29.5466 1.00000
44 -29.5457 1.00000
45 -29.5372 1.00000
46 -29.5344 1.00000
47 -29.5297 1.00000
48 -29.5017 1.00000
49 -29.4923 1.00000
50 -29.4868 1.00000
51 -29.4843 1.00000
52 -29.4816 1.00000
53 -29.4809 1.00000
54 -29.4786 1.00000
55 -29.4767 1.00000
56 -29.4714 1.00000
57 -29.4663 1.00000
58 -29.4585 1.00000
59 -29.4508 1.00000
60 -29.4484 1.00000
61 -29.4441 1.00000
62 -29.4408 1.00000
63 -29.4366 1.00000
64 -29.4355 1.00000
65 -14.2969 1.00000
66 -14.0142 1.00000
67 -13.9762 1.00000
68 -13.8616 1.00000
69 -13.8253 1.00000
70 -13.7866 1.00000
71 -13.6143 1.00000
72 -13.3695 1.00000
73 -13.3258 1.00000
74 -13.3137 1.00000
75 -13.2756 1.00000
76 -13.2480 1.00000
77 -13.2119 1.00000
78 -13.1981 1.00000
79 -13.1789 1.00000
80 -13.1478 1.00000
81 -13.1408 1.00000
82 -13.0877 1.00000
83 -13.0833 1.00000
84 -13.0803 1.00000
85 -13.0362 1.00000
86 -13.0217 1.00000
87 -12.9812 1.00000
88 -12.9548 1.00000
89 -12.9220 1.00000
90 -12.9114 1.00000
91 -12.9016 1.00000
92 -12.8777 1.00000
93 -12.8754 1.00000
94 -12.8572 1.00000
95 -12.8266 1.00000
96 -12.7979 1.00000
97 -1.4630 1.00000
98 -1.4085 1.00000
99 -1.3919 1.00000
100 -1.3756 1.00000
101 -1.3238 1.00000
102 -1.2617 1.00000
103 -1.2304 1.00000
104 -1.1680 1.00000
105 -0.9761 1.00000
106 -0.9668 1.00000
107 -0.8926 1.00000
108 -0.8784 1.00000
109 -0.8641 1.00000
110 -0.8309 1.00000
111 -0.7953 1.00000
112 -0.7529 1.00000
113 -0.7247 1.00000
114 -0.6821 1.00000
115 -0.6457 1.00000
116 -0.6340 1.00000
117 -0.6119 1.00000
118 -0.5908 1.00000
119 -0.5841 1.00000
120 -0.5613 1.00000
121 -0.5445 1.00000
122 -0.5014 1.00000
123 -0.4892 1.00000
124 -0.4385 1.00000
125 -0.4138 1.00000
126 -0.4038 1.00000
127 -0.3849 1.00000
128 -0.3290 1.00000
129 -0.2747 1.00000
130 -0.2706 1.00000
131 -0.1493 1.00000
132 -0.1402 1.00000
133 -0.0415 1.00000
134 -0.0358 1.00000
135 -0.0333 1.00000
136 0.0143 1.00000
137 0.1336 1.00000
138 0.2075 1.00000
139 0.5103 1.00000
140 0.5539 1.00000
141 0.5585 1.00000
142 0.5845 1.00000
143 0.7380 1.00000
144 0.8171 1.00000
145 0.8702 1.00000
146 0.9399 1.00000
147 0.9589 1.00000
148 1.0017 1.00000
149 1.0027 1.00000
150 1.0532 1.00000
151 1.1076 1.00000
152 1.1431 1.00000
153 1.1480 1.00000
154 1.1540 1.00000
155 1.1603 1.00000
156 1.2129 1.00000
157 1.3387 1.00000
158 1.3749 1.00000
159 1.4262 1.00000
160 1.5406 1.00000
161 1.6535 1.00000
162 1.7734 1.00000
163 1.7986 1.00000
164 1.8177 1.00000
165 1.8440 1.00000
166 1.8699 1.00000
167 1.8749 1.00000
168 1.8902 1.00000
169 1.9304 1.00000
170 1.9491 1.00000
171 1.9663 1.00000
172 2.1433 1.00000
173 2.2079 1.00000
174 2.2351 1.00000
175 2.2695 1.00000
176 2.3039 1.00000
177 2.3369 1.00000
178 2.3867 1.00000
179 2.4566 1.00000
180 2.4713 1.00000
181 2.4943 1.00000
182 2.5012 1.00000
183 2.5056 1.00000
184 2.5156 1.00000
185 2.5329 1.00000
186 2.7383 1.00000
187 2.7514 1.00000
188 2.7982 1.00000
189 2.7985 1.00000
190 2.8593 1.00000
191 3.0238 1.00000
192 3.0374 1.00000
193 5.5856 0.00000
194 5.6448 0.00000
195 5.8749 0.00000
196 5.9444 0.00000
197 6.1602 0.00000
198 6.2065 0.00000
199 6.2100 0.00000
200 6.2406 0.00000
201 6.2552 0.00000
202 6.2829 0.00000
203 6.2956 0.00000
204 6.3246 0.00000
205 6.4100 0.00000
206 6.4321 0.00000
207 6.4421 0.00000
208 6.4556 0.00000
209 6.5751 0.00000
210 6.5841 0.00000
211 6.5868 0.00000
212 6.6099 0.00000
213 6.6151 0.00000
214 6.6188 0.00000
215 6.6212 0.00000
216 6.6235 0.00000
217 6.6247 0.00000
218 6.6652 0.00000
219 6.7394 0.00000
220 6.7426 0.00000
221 6.7505 0.00000
222 6.7559 0.00000
223 6.7740 0.00000
224 6.7946 0.00000
225 6.8189 0.00000
226 6.9175 0.00000
227 7.0454 0.00000
228 7.0849 0.00000
229 7.1471 0.00000
230 7.2181 0.00000
231 7.2526 0.00000
232 7.2890 0.00000
233 7.3553 0.00000
234 7.4190 0.00000
235 7.4390 0.00000
236 7.4513 0.00000
237 7.6852 0.00000
238 7.7037 0.00000
239 7.7500 0.00000
240 7.7796 0.00000
241 8.0291 0.00000
242 8.1430 0.00000
243 8.2813 0.00000
244 8.3340 0.00000
245 8.4674 0.00000
246 8.5193 0.00000
247 8.5832 0.00000
248 8.5838 0.00000
249 8.6651 0.00000
250 8.7819 0.00000
251 8.9980 0.00000
252 9.0446 0.00000
253 9.1187 0.00000
254 9.1534 0.00000
255 9.1681 0.00000
256 9.3513 0.00000
k-point 9 : 0.4167 0.0833 0.2500
band No. band energies occupation
1 -53.3448 1.00000
2 -53.3421 1.00000
3 -53.3330 1.00000
4 -53.3327 1.00000
5 -53.3322 1.00000
6 -53.3307 1.00000
7 -53.3302 1.00000
8 -53.3278 1.00000
9 -53.3146 1.00000
10 -53.3144 1.00000
11 -53.3140 1.00000
12 -53.3126 1.00000
13 -53.3121 1.00000
14 -53.3102 1.00000
15 -53.3040 1.00000
16 -53.3024 1.00000
17 -29.7621 1.00000
18 -29.7618 1.00000
19 -29.7537 1.00000
20 -29.7523 1.00000
21 -29.7438 1.00000
22 -29.7428 1.00000
23 -29.7089 1.00000
24 -29.7000 1.00000
25 -29.6942 1.00000
26 -29.6905 1.00000
27 -29.6839 1.00000
28 -29.6793 1.00000
29 -29.6451 1.00000
30 -29.6303 1.00000
31 -29.6234 1.00000
32 -29.6042 1.00000
33 -29.6005 1.00000
34 -29.6002 1.00000
35 -29.5905 1.00000
36 -29.5900 1.00000
37 -29.5752 1.00000
38 -29.5746 1.00000
39 -29.5737 1.00000
40 -29.5726 1.00000
41 -29.5642 1.00000
42 -29.5639 1.00000
43 -29.5597 1.00000
44 -29.5584 1.00000
45 -29.5334 1.00000
46 -29.5299 1.00000
47 -29.5255 1.00000
48 -29.5135 1.00000
49 -29.4909 1.00000
50 -29.4889 1.00000
51 -29.4822 1.00000
52 -29.4797 1.00000
53 -29.4790 1.00000
54 -29.4786 1.00000
55 -29.4777 1.00000
56 -29.4733 1.00000
57 -29.4725 1.00000
58 -29.4661 1.00000
59 -29.4474 1.00000
60 -29.4468 1.00000
61 -29.4403 1.00000
62 -29.4393 1.00000
63 -29.4330 1.00000
64 -29.4328 1.00000
65 -14.1942 1.00000
66 -14.0778 1.00000
67 -13.9427 1.00000
68 -13.8866 1.00000
69 -13.6804 1.00000
70 -13.6393 1.00000
71 -13.5172 1.00000
72 -13.5005 1.00000
73 -13.4553 1.00000
74 -13.3676 1.00000
75 -13.3071 1.00000
76 -13.2651 1.00000
77 -13.2488 1.00000
78 -13.2185 1.00000
79 -13.1968 1.00000
80 -13.1863 1.00000
81 -13.0923 1.00000
82 -13.0868 1.00000
83 -13.0750 1.00000
84 -13.0462 1.00000
85 -13.0372 1.00000
86 -12.9776 1.00000
87 -12.9709 1.00000
88 -12.9547 1.00000
89 -12.9230 1.00000
90 -12.9165 1.00000
91 -12.9038 1.00000
92 -12.8968 1.00000
93 -12.8878 1.00000
94 -12.8799 1.00000
95 -12.8717 1.00000
96 -12.8393 1.00000
97 -1.4038 1.00000
98 -1.3764 1.00000
99 -1.3522 1.00000
100 -1.3397 1.00000
101 -1.3130 1.00000
102 -1.2724 1.00000
103 -1.2661 1.00000
104 -1.1880 1.00000
105 -1.1503 1.00000
106 -1.1469 1.00000
107 -1.1190 1.00000
108 -1.0524 1.00000
109 -0.9712 1.00000
110 -0.9705 1.00000
111 -0.8051 1.00000
112 -0.7946 1.00000
113 -0.6932 1.00000
114 -0.6878 1.00000
115 -0.6292 1.00000
116 -0.6073 1.00000
117 -0.5928 1.00000
118 -0.5757 1.00000
119 -0.5732 1.00000
120 -0.5497 1.00000
121 -0.5346 1.00000
122 -0.5034 1.00000
123 -0.4363 1.00000
124 -0.4179 1.00000
125 -0.3227 1.00000
126 -0.2575 1.00000
127 -0.2548 1.00000
128 -0.2205 1.00000
129 -0.1832 1.00000
130 -0.1221 1.00000
131 -0.0727 1.00000
132 -0.0462 1.00000
133 0.0623 1.00000
134 0.1532 1.00000
135 0.2490 1.00000
136 0.3762 1.00000
137 0.3808 1.00000
138 0.4140 1.00000
139 0.5101 1.00000
140 0.5169 1.00000
141 0.6047 1.00000
142 0.6382 1.00000
143 0.6952 1.00000
144 0.7035 1.00000
145 0.7037 1.00000
146 0.7396 1.00000
147 0.8108 1.00000
148 0.9838 1.00000
149 1.0075 1.00000
150 1.0379 1.00000
151 1.0468 1.00000
152 1.0700 1.00000
153 1.0860 1.00000
154 1.1103 1.00000
155 1.1600 1.00000
156 1.1839 1.00000
157 1.2883 1.00000
158 1.3194 1.00000
159 1.3224 1.00000
160 1.3914 1.00000
161 1.4577 1.00000
162 1.5993 1.00000
163 1.6208 1.00000
164 1.6712 1.00000
165 1.7773 1.00000
166 1.8275 1.00000
167 1.8328 1.00000
168 1.9552 1.00000
169 2.0579 1.00000
170 2.1492 1.00000
171 2.1618 1.00000
172 2.1887 1.00000
173 2.2617 1.00000
174 2.3212 1.00000
175 2.3516 1.00000
176 2.3686 1.00000
177 2.4226 1.00000
178 2.4401 1.00000
179 2.4560 1.00000
180 2.5054 1.00000
181 2.5233 1.00000
182 2.5420 1.00000
183 2.5608 1.00000
184 2.5978 1.00000
185 2.6249 1.00000
186 2.6250 1.00000
187 2.6976 1.00000
188 2.7046 1.00000
189 2.7713 1.00000
190 2.7737 1.00000
191 2.9491 1.00000
192 2.9528 1.00000
193 5.8196 0.00000
194 5.9207 0.00000
195 5.9935 0.00000
196 6.0914 0.00000
197 6.1146 0.00000
198 6.1352 0.00000
199 6.1648 0.00000
200 6.1690 0.00000
201 6.1970 0.00000
202 6.2104 0.00000
203 6.2370 0.00000
204 6.2572 0.00000
205 6.3153 0.00000
206 6.3281 0.00000
207 6.3403 0.00000
208 6.3591 0.00000
209 6.3908 0.00000
210 6.4455 0.00000
211 6.4689 0.00000
212 6.5232 0.00000
213 6.5510 0.00000
214 6.5891 0.00000
215 6.5949 0.00000
216 6.5955 0.00000
217 6.6121 0.00000
218 6.6194 0.00000
219 6.6230 0.00000
220 6.6456 0.00000
221 6.7479 0.00000
222 6.7520 0.00000
223 6.7536 0.00000
224 6.7662 0.00000
225 6.7674 0.00000
226 6.8105 0.00000
227 6.8971 0.00000
228 6.8988 0.00000
229 7.2386 0.00000
230 7.3027 0.00000
231 7.3261 0.00000
232 7.3434 0.00000
233 7.3514 0.00000
234 7.4038 0.00000
235 7.4401 0.00000
236 7.4881 0.00000
237 7.4905 0.00000
238 7.5106 0.00000
239 7.5984 0.00000
240 7.6355 0.00000
241 8.1093 0.00000
242 8.1917 0.00000
243 8.2048 0.00000
244 8.2665 0.00000
245 8.7560 0.00000
246 8.7709 0.00000
247 8.7889 0.00000
248 8.8011 0.00000
249 8.9067 0.00000
250 8.9157 0.00000
251 8.9381 0.00000
252 8.9539 0.00000
253 8.9746 0.00000
254 9.0064 0.00000
255 9.0457 0.00000
256 9.2651 0.00000
k-point 10 : 0.2500 0.2500 0.2500
band No. band energies occupation
1 -53.3457 1.00000
2 -53.3380 1.00000
3 -53.3380 1.00000
4 -53.3329 1.00000
5 -53.3314 1.00000
6 -53.3314 1.00000
7 -53.3300 1.00000
8 -53.3247 1.00000
9 -53.3172 1.00000
10 -53.3147 1.00000
11 -53.3133 1.00000
12 -53.3133 1.00000
13 -53.3119 1.00000
14 -53.3067 1.00000
15 -53.3067 1.00000
16 -53.3019 1.00000
17 -29.7621 1.00000
18 -29.7597 1.00000
19 -29.7597 1.00000
20 -29.7549 1.00000
21 -29.7326 1.00000
22 -29.7286 1.00000
23 -29.7286 1.00000
24 -29.7134 1.00000
25 -29.6975 1.00000
26 -29.6825 1.00000
27 -29.6669 1.00000
28 -29.6669 1.00000
29 -29.6562 1.00000
30 -29.6562 1.00000
31 -29.6124 1.00000
32 -29.6043 1.00000
33 -29.6027 1.00000
34 -29.5880 1.00000
35 -29.5830 1.00000
36 -29.5795 1.00000
37 -29.5791 1.00000
38 -29.5791 1.00000
39 -29.5790 1.00000
40 -29.5752 1.00000
41 -29.5752 1.00000
42 -29.5705 1.00000
43 -29.5443 1.00000
44 -29.5443 1.00000
45 -29.5406 1.00000
46 -29.5406 1.00000
47 -29.5301 1.00000
48 -29.5074 1.00000
49 -29.4932 1.00000
50 -29.4872 1.00000
51 -29.4872 1.00000
52 -29.4795 1.00000
53 -29.4795 1.00000
54 -29.4785 1.00000
55 -29.4774 1.00000
56 -29.4744 1.00000
57 -29.4659 1.00000
58 -29.4562 1.00000
59 -29.4562 1.00000
60 -29.4544 1.00000
61 -29.4380 1.00000
62 -29.4346 1.00000
63 -29.4346 1.00000
64 -29.4327 1.00000
65 -14.2346 1.00000
66 -13.9577 1.00000
67 -13.8989 1.00000
68 -13.8989 1.00000
69 -13.7808 1.00000
70 -13.7808 1.00000
71 -13.5755 1.00000
72 -13.4355 1.00000
73 -13.3310 1.00000
74 -13.3096 1.00000
75 -13.2896 1.00000
76 -13.2199 1.00000
77 -13.1815 1.00000
78 -13.1815 1.00000
79 -13.1683 1.00000
80 -13.1683 1.00000
81 -13.1474 1.00000
82 -13.1392 1.00000
83 -13.1392 1.00000
84 -13.0705 1.00000
85 -13.0705 1.00000
86 -13.0696 1.00000
87 -13.0360 1.00000
88 -12.9394 1.00000
89 -12.9299 1.00000
90 -12.9149 1.00000
91 -12.9149 1.00000
92 -12.8968 1.00000
93 -12.8654 1.00000
94 -12.8654 1.00000
95 -12.8431 1.00000
96 -12.7891 1.00000
97 -1.4700 1.00000
98 -1.4558 1.00000
99 -1.4558 1.00000
100 -1.4290 1.00000
101 -1.3817 1.00000
102 -1.3817 1.00000
103 -1.3743 1.00000
104 -1.2544 1.00000
105 -0.9310 1.00000
106 -0.9225 1.00000
107 -0.8505 1.00000
108 -0.8302 1.00000
109 -0.8171 1.00000
110 -0.8171 1.00000
111 -0.8063 1.00000
112 -0.8063 1.00000
113 -0.7995 1.00000
114 -0.7399 1.00000
115 -0.7399 1.00000
116 -0.6866 1.00000
117 -0.5519 1.00000
118 -0.4717 1.00000
119 -0.4717 1.00000
120 -0.4037 1.00000
121 -0.3907 1.00000
122 -0.3832 1.00000
123 -0.3832 1.00000
124 -0.3493 1.00000
125 -0.3394 1.00000
126 -0.2522 1.00000
127 -0.2522 1.00000
128 -0.2503 1.00000
129 -0.1658 1.00000
130 -0.1554 1.00000
131 -0.1419 1.00000
132 -0.0837 1.00000
133 -0.0341 1.00000
134 -0.0341 1.00000
135 0.0215 1.00000
136 0.0215 1.00000
137 0.0349 1.00000
138 0.2653 1.00000
139 0.4215 1.00000
140 0.4215 1.00000
141 0.4250 1.00000
142 0.5529 1.00000
143 0.7334 1.00000
144 0.7334 1.00000
145 0.7787 1.00000
146 0.8125 1.00000
147 0.8125 1.00000
148 0.8323 1.00000
149 1.0268 1.00000
150 1.0268 1.00000
151 1.0530 1.00000
152 1.2034 1.00000
153 1.2186 1.00000
154 1.2186 1.00000
155 1.2224 1.00000
156 1.3591 1.00000
157 1.3597 1.00000
158 1.3597 1.00000
159 1.4423 1.00000
160 1.6034 1.00000
161 1.6881 1.00000
162 1.7672 1.00000
163 1.7672 1.00000
164 1.8269 1.00000
165 1.8452 1.00000
166 1.9156 1.00000
167 1.9156 1.00000
168 1.9469 1.00000
169 1.9797 1.00000
170 1.9797 1.00000
171 1.9819 1.00000
172 2.0241 1.00000
173 2.0241 1.00000
174 2.0777 1.00000
175 2.2388 1.00000
176 2.2975 1.00000
177 2.4383 1.00000
178 2.4613 1.00000
179 2.4613 1.00000
180 2.4631 1.00000
181 2.4631 1.00000
182 2.5421 1.00000
183 2.6046 1.00000
184 2.6046 1.00000
185 2.6292 1.00000
186 2.6292 1.00000
187 2.6727 1.00000
188 2.7142 1.00000
189 2.8213 1.00000
190 2.8323 1.00000
191 3.0107 1.00000
192 3.0234 1.00000
193 5.8040 0.00000
194 5.8377 0.00000
195 5.9203 0.00000
196 5.9638 0.00000
197 6.1322 0.00000
198 6.1322 0.00000
199 6.1548 0.00000
200 6.1548 0.00000
201 6.1836 0.00000
202 6.2585 0.00000
203 6.2832 0.00000
204 6.2832 0.00000
205 6.3195 0.00000
206 6.3195 0.00000
207 6.3830 0.00000
208 6.4459 0.00000
209 6.4910 0.00000
210 6.5179 0.00000
211 6.5565 0.00000
212 6.5659 0.00000
213 6.5688 0.00000
214 6.5688 0.00000
215 6.5850 0.00000
216 6.5850 0.00000
217 6.6339 0.00000
218 6.6823 0.00000
219 6.6823 0.00000
220 6.6996 0.00000
221 6.7280 0.00000
222 6.7280 0.00000
223 6.7334 0.00000
224 6.7560 0.00000
225 6.8614 0.00000
226 6.8906 0.00000
227 6.9048 0.00000
228 6.9905 0.00000
229 7.0098 0.00000
230 7.0098 0.00000
231 7.1202 0.00000
232 7.1202 0.00000
233 7.2817 0.00000
234 7.2817 0.00000
235 7.3736 0.00000
236 7.3736 0.00000
237 7.5506 0.00000
238 7.6057 0.00000
239 7.6169 0.00000
240 7.7029 0.00000
241 8.2560 0.00000
242 8.2947 0.00000
243 8.5259 0.00000
244 8.5259 0.00000
245 8.5280 0.00000
246 8.5280 0.00000
247 8.6326 0.00000
248 8.8290 0.00000
249 8.8575 0.00000
250 8.9957 0.00000
251 9.0457 0.00000
252 9.0789 0.00000
253 9.1722 0.00000
254 9.1724 0.00000
255 9.3823 0.00000
256 9.3865 0.00000
k-point 11 : 0.4167 0.2500 0.2500
band No. band energies occupation
1 -53.3437 1.00000
2 -53.3410 1.00000
3 -53.3360 1.00000
4 -53.3332 1.00000
5 -53.3319 1.00000
6 -53.3312 1.00000
7 -53.3295 1.00000
8 -53.3269 1.00000
9 -53.3158 1.00000
10 -53.3148 1.00000
11 -53.3144 1.00000
12 -53.3144 1.00000
13 -53.3096 1.00000
14 -53.3078 1.00000
15 -53.3046 1.00000
16 -53.3030 1.00000
17 -29.7617 1.00000
18 -29.7613 1.00000
19 -29.7587 1.00000
20 -29.7574 1.00000
21 -29.7298 1.00000
22 -29.7289 1.00000
23 -29.7099 1.00000
24 -29.6971 1.00000
25 -29.6933 1.00000
26 -29.6805 1.00000
27 -29.6795 1.00000
28 -29.6654 1.00000
29 -29.6525 1.00000
30 -29.6344 1.00000
31 -29.6326 1.00000
32 -29.6092 1.00000
33 -29.5992 1.00000
34 -29.5984 1.00000
35 -29.5902 1.00000
36 -29.5889 1.00000
37 -29.5801 1.00000
38 -29.5799 1.00000
39 -29.5742 1.00000
40 -29.5733 1.00000
41 -29.5713 1.00000
42 -29.5668 1.00000
43 -29.5569 1.00000
44 -29.5524 1.00000
45 -29.5397 1.00000
46 -29.5340 1.00000
47 -29.5311 1.00000
48 -29.5188 1.00000
49 -29.4922 1.00000
50 -29.4900 1.00000
51 -29.4862 1.00000
52 -29.4827 1.00000
53 -29.4784 1.00000
54 -29.4783 1.00000
55 -29.4761 1.00000
56 -29.4710 1.00000
57 -29.4698 1.00000
58 -29.4635 1.00000
59 -29.4541 1.00000
60 -29.4539 1.00000
61 -29.4341 1.00000
62 -29.4331 1.00000
63 -29.4309 1.00000
64 -29.4305 1.00000
65 -14.1273 1.00000
66 -14.0053 1.00000
67 -13.8747 1.00000
68 -13.8094 1.00000
69 -13.7605 1.00000
70 -13.6352 1.00000
71 -13.5922 1.00000
72 -13.4901 1.00000
73 -13.4576 1.00000
74 -13.3502 1.00000
75 -13.2663 1.00000
76 -13.2443 1.00000
77 -13.2052 1.00000
78 -13.1822 1.00000
79 -13.1764 1.00000
80 -13.1707 1.00000
81 -13.1700 1.00000
82 -13.1555 1.00000
83 -13.1068 1.00000
84 -13.0621 1.00000
85 -13.0507 1.00000
86 -13.0393 1.00000
87 -13.0261 1.00000
88 -12.9859 1.00000
89 -12.9633 1.00000
90 -12.9594 1.00000
91 -12.9100 1.00000
92 -12.9004 1.00000
93 -12.8770 1.00000
94 -12.8759 1.00000
95 -12.8442 1.00000
96 -12.8131 1.00000
97 -1.4570 1.00000
98 -1.4441 1.00000
99 -1.4363 1.00000
100 -1.4044 1.00000
101 -1.3973 1.00000
102 -1.3472 1.00000
103 -1.3281 1.00000
104 -1.2210 1.00000
105 -1.1833 1.00000
106 -1.1596 1.00000
107 -1.1191 1.00000
108 -1.0683 1.00000
109 -0.8481 1.00000
110 -0.8305 1.00000
111 -0.8275 1.00000
112 -0.8185 1.00000
113 -0.8104 1.00000
114 -0.7705 1.00000
115 -0.7058 1.00000
116 -0.6954 1.00000
117 -0.4677 1.00000
118 -0.4540 1.00000
119 -0.4018 1.00000
120 -0.3790 1.00000
121 -0.3293 1.00000
122 -0.2855 1.00000
123 -0.2777 1.00000
124 -0.2267 1.00000
125 -0.2211 1.00000
126 -0.2159 1.00000
127 -0.1919 1.00000
128 -0.1889 1.00000
129 -0.1770 1.00000
130 -0.0561 1.00000
131 -0.0370 1.00000
132 -0.0061 1.00000
133 0.0278 1.00000
134 0.1405 1.00000
135 0.2196 1.00000
136 0.3547 1.00000
137 0.3669 1.00000
138 0.4525 1.00000
139 0.4661 1.00000
140 0.4956 1.00000
141 0.5555 1.00000
142 0.5776 1.00000
143 0.5974 1.00000
144 0.5976 1.00000
145 0.6556 1.00000
146 0.6627 1.00000
147 0.6959 1.00000
148 0.7805 1.00000
149 0.8764 1.00000
150 0.9548 1.00000
151 1.0781 1.00000
152 1.1601 1.00000
153 1.1707 1.00000
154 1.2013 1.00000
155 1.2495 1.00000
156 1.2638 1.00000
157 1.3291 1.00000
158 1.4157 1.00000
159 1.4183 1.00000
160 1.4206 1.00000
161 1.5010 1.00000
162 1.5324 1.00000
163 1.5965 1.00000
164 1.6209 1.00000
165 1.7106 1.00000
166 1.7620 1.00000
167 1.9646 1.00000
168 2.0081 1.00000
169 2.0266 1.00000
170 2.0291 1.00000
171 2.0866 1.00000
172 2.1252 1.00000
173 2.1490 1.00000
174 2.1921 1.00000
175 2.2941 1.00000
176 2.3041 1.00000
177 2.4555 1.00000
178 2.4690 1.00000
179 2.4787 1.00000
180 2.4813 1.00000
181 2.5039 1.00000
182 2.5087 1.00000
183 2.5512 1.00000
184 2.6560 1.00000
185 2.6713 1.00000
186 2.6989 1.00000
187 2.7544 1.00000
188 2.8104 1.00000
189 2.8118 1.00000
190 2.8374 1.00000
191 2.9526 1.00000
192 2.9562 1.00000
193 5.9498 0.00000
194 5.9888 0.00000
195 6.0447 0.00000
196 6.0525 0.00000
197 6.0732 0.00000
198 6.1036 0.00000
199 6.1302 0.00000
200 6.1352 0.00000
201 6.1558 0.00000
202 6.1679 0.00000
203 6.2415 0.00000
204 6.2439 0.00000
205 6.2528 0.00000
206 6.2661 0.00000
207 6.3115 0.00000
208 6.3181 0.00000
209 6.3186 0.00000
210 6.4741 0.00000
211 6.4795 0.00000
212 6.5069 0.00000
213 6.5334 0.00000
214 6.5490 0.00000
215 6.5516 0.00000
216 6.5769 0.00000
217 6.6257 0.00000
218 6.6458 0.00000
219 6.6722 0.00000
220 6.6761 0.00000
221 6.6877 0.00000
222 6.6952 0.00000
223 6.7128 0.00000
224 6.7236 0.00000
225 6.7297 0.00000
226 6.7593 0.00000
227 6.7677 0.00000
228 6.8328 0.00000
229 7.0225 0.00000
230 7.0921 0.00000
231 7.1311 0.00000
232 7.1651 0.00000
233 7.2429 0.00000
234 7.2464 0.00000
235 7.2845 0.00000
236 7.3410 0.00000
237 7.4111 0.00000
238 7.4235 0.00000
239 7.4507 0.00000
240 7.5617 0.00000
241 8.3648 0.00000
242 8.3816 0.00000
243 8.4455 0.00000
244 8.4521 0.00000
245 8.7115 0.00000
246 8.7373 0.00000
247 8.8560 0.00000
248 8.8601 0.00000
249 8.8960 0.00000
250 9.0251 0.00000
251 9.1229 0.00000
252 9.1377 0.00000
253 9.2491 0.00000
254 9.2938 0.00000
255 9.2945 0.00000
256 9.3195 0.00000
k-point 12 : 0.4167 0.4167 0.2500
band No. band energies occupation
1 -53.3417 1.00000
2 -53.3390 1.00000
3 -53.3390 1.00000
4 -53.3362 1.00000
5 -53.3307 1.00000
6 -53.3296 1.00000
7 -53.3296 1.00000
8 -53.3278 1.00000
9 -53.3159 1.00000
10 -53.3152 1.00000
11 -53.3152 1.00000
12 -53.3151 1.00000
13 -53.3074 1.00000
14 -53.3057 1.00000
15 -53.3057 1.00000
16 -53.3041 1.00000
17 -29.7612 1.00000
18 -29.7605 1.00000
19 -29.7605 1.00000
20 -29.7595 1.00000
21 -29.7187 1.00000
22 -29.7126 1.00000
23 -29.7126 1.00000
24 -29.7002 1.00000
25 -29.6848 1.00000
26 -29.6672 1.00000
27 -29.6672 1.00000
28 -29.6620 1.00000
29 -29.6494 1.00000
30 -29.6449 1.00000
31 -29.6449 1.00000
32 -29.6233 1.00000
33 -29.5954 1.00000
34 -29.5947 1.00000
35 -29.5886 1.00000
36 -29.5886 1.00000
37 -29.5869 1.00000
38 -29.5869 1.00000
39 -29.5853 1.00000
40 -29.5826 1.00000
41 -29.5624 1.00000
42 -29.5554 1.00000
43 -29.5506 1.00000
44 -29.5506 1.00000
45 -29.5421 1.00000
46 -29.5421 1.00000
47 -29.5420 1.00000
48 -29.5295 1.00000
49 -29.4920 1.00000
50 -29.4897 1.00000
51 -29.4897 1.00000
52 -29.4870 1.00000
53 -29.4768 1.00000
54 -29.4756 1.00000
55 -29.4756 1.00000
56 -29.4722 1.00000
57 -29.4656 1.00000
58 -29.4605 1.00000
59 -29.4605 1.00000
60 -29.4579 1.00000
61 -29.4302 1.00000
62 -29.4293 1.00000
63 -29.4293 1.00000
64 -29.4286 1.00000
65 -14.0111 1.00000
66 -13.8774 1.00000
67 -13.8774 1.00000
68 -13.7668 1.00000
69 -13.7267 1.00000
70 -13.6749 1.00000
71 -13.6749 1.00000
72 -13.5326 1.00000
73 -13.4317 1.00000
74 -13.3228 1.00000
75 -13.3228 1.00000
76 -13.2721 1.00000
77 -13.2068 1.00000
78 -13.1969 1.00000
79 -13.1492 1.00000
80 -13.1492 1.00000
81 -13.1264 1.00000
82 -13.1260 1.00000
83 -13.1260 1.00000
84 -13.1041 1.00000
85 -13.0821 1.00000
86 -13.0821 1.00000
87 -13.0551 1.00000
88 -13.0091 1.00000
89 -12.9977 1.00000
90 -12.9464 1.00000
91 -12.9464 1.00000
92 -12.9141 1.00000
93 -12.8849 1.00000
94 -12.8552 1.00000
95 -12.8552 1.00000
96 -12.8272 1.00000
97 -1.4425 1.00000
98 -1.4090 1.00000
99 -1.3890 1.00000
100 -1.3890 1.00000
101 -1.3763 1.00000
102 -1.3763 1.00000
103 -1.3114 1.00000
104 -1.2354 1.00000
105 -1.2145 1.00000
106 -1.1956 1.00000
107 -1.1287 1.00000
108 -1.1287 1.00000
109 -1.1025 1.00000
110 -1.0643 1.00000
111 -1.0643 1.00000
112 -1.0166 1.00000
113 -0.7655 1.00000
114 -0.7311 1.00000
115 -0.7311 1.00000
116 -0.7106 1.00000
117 -0.3400 1.00000
118 -0.3400 1.00000
119 -0.3231 1.00000
120 -0.3070 1.00000
121 -0.2825 1.00000
122 -0.1933 1.00000
123 -0.1933 1.00000
124 -0.1701 1.00000
125 -0.1682 1.00000
126 -0.1422 1.00000
127 -0.1422 1.00000
128 -0.0747 1.00000
129 -0.0634 1.00000
130 0.1694 1.00000
131 0.1694 1.00000
132 0.1952 1.00000
133 0.2930 1.00000
134 0.2930 1.00000
135 0.3560 1.00000
136 0.3577 1.00000
137 0.4272 1.00000
138 0.4743 1.00000
139 0.4887 1.00000
140 0.4887 1.00000
141 0.5610 1.00000
142 0.5764 1.00000
143 0.5764 1.00000
144 0.6111 1.00000
145 0.6234 1.00000
146 0.7235 1.00000
147 0.7235 1.00000
148 0.7616 1.00000
149 0.8241 1.00000
150 0.9099 1.00000
151 0.9099 1.00000
152 0.9640 1.00000
153 1.1035 1.00000
154 1.1763 1.00000
155 1.1763 1.00000
156 1.2042 1.00000
157 1.2393 1.00000
158 1.2735 1.00000
159 1.2735 1.00000
160 1.3988 1.00000
161 1.4418 1.00000
162 1.4589 1.00000
163 1.4589 1.00000
164 1.5434 1.00000
165 1.6308 1.00000
166 1.7579 1.00000
167 1.7579 1.00000
168 1.9445 1.00000
169 2.0625 1.00000
170 2.0941 1.00000
171 2.1444 1.00000
172 2.1444 1.00000
173 2.1852 1.00000
174 2.1852 1.00000
175 2.2895 1.00000
176 2.3437 1.00000
177 2.4039 1.00000
178 2.4649 1.00000
179 2.5041 1.00000
180 2.5041 1.00000
181 2.5314 1.00000
182 2.5371 1.00000
183 2.5371 1.00000
184 2.6216 1.00000
185 2.7716 1.00000
186 2.8346 1.00000
187 2.8346 1.00000
188 2.8714 1.00000
189 2.8714 1.00000
190 2.9038 1.00000
191 2.9297 1.00000
192 2.9368 1.00000
193 5.9826 0.00000
194 6.0086 0.00000
195 6.0086 0.00000
196 6.0289 0.00000
197 6.0343 0.00000
198 6.0620 0.00000
199 6.0620 0.00000
200 6.0966 0.00000
201 6.1773 0.00000
202 6.2143 0.00000
203 6.2143 0.00000
204 6.2208 0.00000
205 6.2398 0.00000
206 6.2398 0.00000
207 6.2446 0.00000
208 6.3071 0.00000
209 6.3745 0.00000
210 6.4444 0.00000
211 6.4665 0.00000
212 6.4757 0.00000
213 6.4757 0.00000
214 6.5266 0.00000
215 6.5266 0.00000
216 6.5303 0.00000
217 6.5875 0.00000
218 6.6039 0.00000
219 6.6039 0.00000
220 6.6095 0.00000
221 6.6477 0.00000
222 6.6642 0.00000
223 6.6642 0.00000
224 6.6803 0.00000
225 6.7502 0.00000
226 6.8455 0.00000
227 6.8880 0.00000
228 6.8880 0.00000
229 6.9256 0.00000
230 7.0134 0.00000
231 7.0134 0.00000
232 7.1067 0.00000
233 7.1067 0.00000
234 7.1120 0.00000
235 7.1250 0.00000
236 7.2158 0.00000
237 7.2592 0.00000
238 7.2786 0.00000
239 7.2786 0.00000
240 7.4187 0.00000
241 8.5151 0.00000
242 8.5296 0.00000
243 8.6140 0.00000
244 8.6140 0.00000
245 8.6386 0.00000
246 8.6386 0.00000
247 8.7375 0.00000
248 8.7740 0.00000
249 9.0048 0.00000
250 9.1306 0.00000
251 9.1306 0.00000
252 9.2275 0.00000
253 9.3339 0.00000
254 9.4983 0.00000
255 9.5030 0.00000
256 9.5264 0.00000
k-point 13 : 0.0833 0.0833 0.4167
band No. band energies occupation
1 -53.3445 1.00000
2 -53.3398 1.00000
3 -53.3356 1.00000
4 -53.3356 1.00000
5 -53.3347 1.00000
6 -53.3347 1.00000
7 -53.3231 1.00000
8 -53.3224 1.00000
9 -53.3184 1.00000
10 -53.3177 1.00000
11 -53.3100 1.00000
12 -53.3100 1.00000
13 -53.3091 1.00000
14 -53.3091 1.00000
15 -53.3088 1.00000
16 -53.3041 1.00000
17 -29.7493 1.00000
18 -29.7493 1.00000
19 -29.7452 1.00000
20 -29.7452 1.00000
21 -29.7425 1.00000
22 -29.7406 1.00000
23 -29.7402 1.00000
24 -29.7294 1.00000
25 -29.7273 1.00000
26 -29.7095 1.00000
27 -29.6743 1.00000
28 -29.6743 1.00000
29 -29.6729 1.00000
30 -29.6729 1.00000
31 -29.6060 1.00000
32 -29.6058 1.00000
33 -29.5969 1.00000
34 -29.5967 1.00000
35 -29.5765 1.00000
36 -29.5732 1.00000
37 -29.5708 1.00000
38 -29.5682 1.00000
39 -29.5677 1.00000
40 -29.5677 1.00000
41 -29.5670 1.00000
42 -29.5670 1.00000
43 -29.5328 1.00000
44 -29.5328 1.00000
45 -29.5327 1.00000
46 -29.5327 1.00000
47 -29.4977 1.00000
48 -29.4901 1.00000
49 -29.4877 1.00000
50 -29.4838 1.00000
51 -29.4838 1.00000
52 -29.4831 1.00000
53 -29.4831 1.00000
54 -29.4825 1.00000
55 -29.4801 1.00000
56 -29.4629 1.00000
57 -29.4612 1.00000
58 -29.4609 1.00000
59 -29.4536 1.00000
60 -29.4518 1.00000
61 -29.4510 1.00000
62 -29.4510 1.00000
63 -29.4480 1.00000
64 -29.4480 1.00000
65 -14.2860 1.00000
66 -14.1860 1.00000
67 -13.8933 1.00000
68 -13.8933 1.00000
69 -13.8795 1.00000
70 -13.8795 1.00000
71 -13.5446 1.00000
72 -13.4558 1.00000
73 -13.3352 1.00000
74 -13.3097 1.00000
75 -13.1898 1.00000
76 -13.1898 1.00000
77 -13.1871 1.00000
78 -13.1871 1.00000
79 -13.1854 1.00000
80 -13.1705 1.00000
81 -13.0826 1.00000
82 -13.0684 1.00000
83 -13.0554 1.00000
84 -13.0263 1.00000
85 -13.0263 1.00000
86 -13.0114 1.00000
87 -13.0114 1.00000
88 -13.0073 1.00000
89 -12.9106 1.00000
90 -12.9106 1.00000
91 -12.9072 1.00000
92 -12.9072 1.00000
93 -12.8340 1.00000
94 -12.8289 1.00000
95 -12.8011 1.00000
96 -12.7949 1.00000
97 -1.3066 1.00000
98 -1.3066 1.00000
99 -1.2705 1.00000
100 -1.2705 1.00000
101 -1.2479 1.00000
102 -1.2238 1.00000
103 -1.2170 1.00000
104 -1.1802 1.00000
105 -0.9165 1.00000
106 -0.9165 1.00000
107 -0.9098 1.00000
108 -0.8757 1.00000
109 -0.8676 1.00000
110 -0.8632 1.00000
111 -0.8632 1.00000
112 -0.7911 1.00000
113 -0.6628 1.00000
114 -0.6549 1.00000
115 -0.6365 1.00000
116 -0.6213 1.00000
117 -0.6039 1.00000
118 -0.5605 1.00000
119 -0.5605 1.00000
120 -0.5565 1.00000
121 -0.5565 1.00000
122 -0.5490 1.00000
123 -0.5280 1.00000
124 -0.5275 1.00000
125 -0.4808 1.00000
126 -0.4808 1.00000
127 -0.4802 1.00000
128 -0.4747 1.00000
129 -0.4545 1.00000
130 -0.4545 1.00000
131 -0.4172 1.00000
132 -0.3683 1.00000
133 -0.1589 1.00000
134 -0.1589 1.00000
135 -0.1471 1.00000
136 -0.1471 1.00000
137 0.1607 1.00000
138 0.1854 1.00000
139 0.3523 1.00000
140 0.3751 1.00000
141 0.8953 1.00000
142 0.8953 1.00000
143 0.9879 1.00000
144 0.9879 1.00000
145 1.0341 1.00000
146 1.0341 1.00000
147 1.0982 1.00000
148 1.0994 1.00000
149 1.1084 1.00000
150 1.1084 1.00000
151 1.1575 1.00000
152 1.1593 1.00000
153 1.1730 1.00000
154 1.1730 1.00000
155 1.2351 1.00000
156 1.2351 1.00000
157 1.4202 1.00000
158 1.4202 1.00000
159 1.4210 1.00000
160 1.4404 1.00000
161 1.4876 1.00000
162 1.4923 1.00000
163 1.4923 1.00000
164 1.6491 1.00000
165 1.7073 1.00000
166 1.7335 1.00000
167 1.9504 1.00000
168 1.9750 1.00000
169 2.0590 1.00000
170 2.0781 1.00000
171 2.0916 1.00000
172 2.2138 1.00000
173 2.2277 1.00000
174 2.2277 1.00000
175 2.2309 1.00000
176 2.2309 1.00000
177 2.2931 1.00000
178 2.2931 1.00000
179 2.2935 1.00000
180 2.2935 1.00000
181 2.5014 1.00000
182 2.5014 1.00000
183 2.5026 1.00000
184 2.5026 1.00000
185 2.7991 1.00000
186 2.8481 1.00000
187 2.8566 1.00000
188 2.8599 1.00000
189 2.8759 1.00000
190 2.9154 1.00000
191 2.9473 1.00000
192 2.9520 1.00000
193 5.3542 0.00000
194 5.4070 0.00000
195 5.7789 0.00000
196 5.8373 0.00000
197 6.2600 0.00000
198 6.2600 0.00000
199 6.2637 0.00000
200 6.2637 0.00000
201 6.4479 0.00000
202 6.4667 0.00000
203 6.4841 0.00000
204 6.4841 0.00000
205 6.4867 0.00000
206 6.4867 0.00000
207 6.5310 0.00000
208 6.5572 0.00000
209 6.5838 0.00000
210 6.5878 0.00000
211 6.6286 0.00000
212 6.6286 0.00000
213 6.6305 0.00000
214 6.6305 0.00000
215 6.6579 0.00000
216 6.6579 0.00000
217 6.6645 0.00000
218 6.6679 0.00000
219 6.6679 0.00000
220 6.6684 0.00000
221 6.7889 0.00000
222 6.7988 0.00000
223 6.8276 0.00000
224 6.8416 0.00000
225 7.1453 0.00000
226 7.1484 0.00000
227 7.1822 0.00000
228 7.1833 0.00000
229 7.2484 0.00000
230 7.2484 0.00000
231 7.2626 0.00000
232 7.2626 0.00000
233 7.4559 0.00000
234 7.4559 0.00000
235 7.4604 0.00000
236 7.4604 0.00000
237 7.8221 0.00000
238 7.8291 0.00000
239 7.8397 0.00000
240 7.8484 0.00000
241 7.8863 0.00000
242 7.9306 0.00000
243 8.2233 0.00000
244 8.2892 0.00000
245 8.3575 0.00000
246 8.3575 0.00000
247 8.3659 0.00000
248 8.3659 0.00000
249 8.4027 0.00000
250 8.4952 0.00000
251 9.0627 0.00000
252 9.0629 0.00000
253 9.0726 0.00000
254 9.0727 0.00000
255 9.2891 0.00000
256 9.3014 0.00000
k-point 14 : 0.2500 0.0833 0.4167
band No. band energies occupation
1 -53.3436 1.00000
2 -53.3390 1.00000
3 -53.3374 1.00000
4 -53.3350 1.00000
5 -53.3345 1.00000
6 -53.3336 1.00000
7 -53.3262 1.00000
8 -53.3254 1.00000
9 -53.3159 1.00000
10 -53.3151 1.00000
11 -53.3106 1.00000
12 -53.3103 1.00000
13 -53.3097 1.00000
14 -53.3091 1.00000
15 -53.3079 1.00000
16 -53.3046 1.00000
17 -29.7492 1.00000
18 -29.7490 1.00000
19 -29.7464 1.00000
20 -29.7450 1.00000
21 -29.7431 1.00000
22 -29.7415 1.00000
23 -29.7370 1.00000
24 -29.7166 1.00000
25 -29.7141 1.00000
26 -29.7123 1.00000
27 -29.6780 1.00000
28 -29.6764 1.00000
29 -29.6640 1.00000
30 -29.6599 1.00000
31 -29.6066 1.00000
32 -29.6065 1.00000
33 -29.5930 1.00000
34 -29.5867 1.00000
35 -29.5863 1.00000
36 -29.5863 1.00000
37 -29.5779 1.00000
38 -29.5774 1.00000
39 -29.5730 1.00000
40 -29.5689 1.00000
41 -29.5684 1.00000
42 -29.5669 1.00000
43 -29.5409 1.00000
44 -29.5408 1.00000
45 -29.5291 1.00000
46 -29.5290 1.00000
47 -29.5036 1.00000
48 -29.4982 1.00000
49 -29.4875 1.00000
50 -29.4848 1.00000
51 -29.4828 1.00000
52 -29.4826 1.00000
53 -29.4825 1.00000
54 -29.4817 1.00000
55 -29.4734 1.00000
56 -29.4692 1.00000
57 -29.4673 1.00000
58 -29.4548 1.00000
59 -29.4546 1.00000
60 -29.4494 1.00000
61 -29.4485 1.00000
62 -29.4468 1.00000
63 -29.4460 1.00000
64 -29.4456 1.00000
65 -14.2282 1.00000
66 -14.1314 1.00000
67 -13.9428 1.00000
68 -13.9012 1.00000
69 -13.8128 1.00000
70 -13.7987 1.00000
71 -13.5035 1.00000
72 -13.4170 1.00000
73 -13.3109 1.00000
74 -13.3100 1.00000
75 -13.2926 1.00000
76 -13.2848 1.00000
77 -13.2054 1.00000
78 -13.1972 1.00000
79 -13.1533 1.00000
80 -13.1468 1.00000
81 -13.1443 1.00000
82 -13.1154 1.00000
83 -13.0669 1.00000
84 -13.0509 1.00000
85 -13.0350 1.00000
86 -13.0125 1.00000
87 -12.9981 1.00000
88 -12.9890 1.00000
89 -12.9044 1.00000
90 -12.9034 1.00000
91 -12.8995 1.00000
92 -12.8875 1.00000
93 -12.8703 1.00000
94 -12.8631 1.00000
95 -12.8166 1.00000
96 -12.8062 1.00000
97 -1.4407 1.00000
98 -1.4096 1.00000
99 -1.3891 1.00000
100 -1.3826 1.00000
101 -1.3013 1.00000
102 -1.2696 1.00000
103 -1.2312 1.00000
104 -1.1998 1.00000
105 -0.9136 1.00000
106 -0.8915 1.00000
107 -0.8903 1.00000
108 -0.8854 1.00000
109 -0.8759 1.00000
110 -0.8526 1.00000
111 -0.7937 1.00000
112 -0.7800 1.00000
113 -0.6355 1.00000
114 -0.6217 1.00000
115 -0.5987 1.00000
116 -0.5935 1.00000
117 -0.5921 1.00000
118 -0.5694 1.00000
119 -0.5691 1.00000
120 -0.5094 1.00000
121 -0.5070 1.00000
122 -0.4912 1.00000
123 -0.4682 1.00000
124 -0.4665 1.00000
125 -0.4380 1.00000
126 -0.4339 1.00000
127 -0.4172 1.00000
128 -0.4117 1.00000
129 -0.3691 1.00000
130 -0.3309 1.00000
131 -0.1919 1.00000
132 -0.1704 1.00000
133 -0.1510 1.00000
134 -0.1434 1.00000
135 -0.0667 1.00000
136 -0.0411 1.00000
137 0.0537 1.00000
138 0.0928 1.00000
139 0.4460 1.00000
140 0.4762 1.00000
141 0.6245 1.00000
142 0.6888 1.00000
143 0.8001 1.00000
144 0.8851 1.00000
145 0.8889 1.00000
146 0.9369 1.00000
147 0.9545 1.00000
148 0.9798 1.00000
149 1.0273 1.00000
150 1.1331 1.00000
151 1.1506 1.00000
152 1.1787 1.00000
153 1.1889 1.00000
154 1.1935 1.00000
155 1.3298 1.00000
156 1.3330 1.00000
157 1.3474 1.00000
158 1.4164 1.00000
159 1.4719 1.00000
160 1.5416 1.00000
161 1.6032 1.00000
162 1.7003 1.00000
163 1.7197 1.00000
164 1.7676 1.00000
165 1.8101 1.00000
166 1.8135 1.00000
167 1.8937 1.00000
168 1.9015 1.00000
169 1.9355 1.00000
170 1.9444 1.00000
171 1.9815 1.00000
172 2.0306 1.00000
173 2.2450 1.00000
174 2.2576 1.00000
175 2.2790 1.00000
176 2.3416 1.00000
177 2.3459 1.00000
178 2.3541 1.00000
179 2.4935 1.00000
180 2.5029 1.00000
181 2.5530 1.00000
182 2.5531 1.00000
183 2.5634 1.00000
184 2.5697 1.00000
185 2.5965 1.00000
186 2.6776 1.00000
187 2.7322 1.00000
188 2.7529 1.00000
189 2.7615 1.00000
190 2.7835 1.00000
191 2.9532 1.00000
192 2.9534 1.00000
193 5.5986 0.00000
194 5.6191 0.00000
195 5.9043 0.00000
196 5.9286 0.00000
197 6.1584 0.00000
198 6.1756 0.00000
199 6.2091 0.00000
200 6.2219 0.00000
201 6.2861 0.00000
202 6.3012 0.00000
203 6.3410 0.00000
204 6.3561 0.00000
205 6.4333 0.00000
206 6.4374 0.00000
207 6.4661 0.00000
208 6.4664 0.00000
209 6.5791 0.00000
210 6.5826 0.00000
211 6.5911 0.00000
212 6.6000 0.00000
213 6.6132 0.00000
214 6.6187 0.00000
215 6.6395 0.00000
216 6.6433 0.00000
217 6.6514 0.00000
218 6.6658 0.00000
219 6.6755 0.00000
220 6.6826 0.00000
221 6.7372 0.00000
222 6.7405 0.00000
223 6.7592 0.00000
224 6.7804 0.00000
225 6.8397 0.00000
226 6.8719 0.00000
227 7.0387 0.00000
228 7.0550 0.00000
229 7.1947 0.00000
230 7.2305 0.00000
231 7.2391 0.00000
232 7.2670 0.00000
233 7.3671 0.00000
234 7.3921 0.00000
235 7.4464 0.00000
236 7.4509 0.00000
237 7.7001 0.00000
238 7.7091 0.00000
239 7.7437 0.00000
240 7.7571 0.00000
241 8.0172 0.00000
242 8.0598 0.00000
243 8.2818 0.00000
244 8.3037 0.00000
245 8.5354 0.00000
246 8.5753 0.00000
247 8.5758 0.00000
248 8.5776 0.00000
249 8.6408 0.00000
250 8.7019 0.00000
251 9.0238 0.00000
252 9.0464 0.00000
253 9.1150 0.00000
254 9.1237 0.00000
255 9.2464 0.00000
256 9.3517 0.00000
k-point 15 : 0.4167 0.0833 0.4167
band No. band energies occupation
1 -53.3418 1.00000
2 -53.3396 1.00000
3 -53.3377 1.00000
4 -53.3362 1.00000
5 -53.3324 1.00000
6 -53.3315 1.00000
7 -53.3295 1.00000
8 -53.3287 1.00000
9 -53.3136 1.00000
10 -53.3127 1.00000
11 -53.3118 1.00000
12 -53.3109 1.00000
13 -53.3100 1.00000
14 -53.3095 1.00000
15 -53.3065 1.00000
16 -53.3054 1.00000
17 -29.7486 1.00000
18 -29.7480 1.00000
19 -29.7465 1.00000
20 -29.7447 1.00000
21 -29.7443 1.00000
22 -29.7435 1.00000
23 -29.7270 1.00000
24 -29.7182 1.00000
25 -29.7004 1.00000
26 -29.6981 1.00000
27 -29.6866 1.00000
28 -29.6846 1.00000
29 -29.6440 1.00000
30 -29.6379 1.00000
31 -29.6183 1.00000
32 -29.6113 1.00000
33 -29.6022 1.00000
34 -29.6021 1.00000
35 -29.5918 1.00000
36 -29.5915 1.00000
37 -29.5718 1.00000
38 -29.5718 1.00000
39 -29.5715 1.00000
40 -29.5703 1.00000
41 -29.5678 1.00000
42 -29.5672 1.00000
43 -29.5552 1.00000
44 -29.5549 1.00000
45 -29.5222 1.00000
46 -29.5210 1.00000
47 -29.5129 1.00000
48 -29.5098 1.00000
49 -29.4867 1.00000
50 -29.4858 1.00000
51 -29.4824 1.00000
52 -29.4824 1.00000
53 -29.4799 1.00000
54 -29.4785 1.00000
55 -29.4753 1.00000
56 -29.4735 1.00000
57 -29.4655 1.00000
58 -29.4592 1.00000
59 -29.4490 1.00000
60 -29.4466 1.00000
61 -29.4464 1.00000
62 -29.4461 1.00000
63 -29.4438 1.00000
64 -29.4435 1.00000
65 -14.1314 1.00000
66 -14.0442 1.00000
67 -14.0267 1.00000
68 -13.9586 1.00000
69 -13.6672 1.00000
70 -13.6522 1.00000
71 -13.4862 1.00000
72 -13.4697 1.00000
73 -13.4220 1.00000
74 -13.3444 1.00000
75 -13.3014 1.00000
76 -13.2686 1.00000
77 -13.2487 1.00000
78 -13.2476 1.00000
79 -13.2212 1.00000
80 -13.2145 1.00000
81 -13.0925 1.00000
82 -13.0904 1.00000
83 -13.0682 1.00000
84 -13.0576 1.00000
85 -12.9935 1.00000
86 -12.9717 1.00000
87 -12.9635 1.00000
88 -12.9533 1.00000
89 -12.9406 1.00000
90 -12.9118 1.00000
91 -12.9108 1.00000
92 -12.9076 1.00000
93 -12.8882 1.00000
94 -12.8820 1.00000
95 -12.8593 1.00000
96 -12.8478 1.00000
97 -1.3876 1.00000
98 -1.3644 1.00000
99 -1.3626 1.00000
100 -1.3540 1.00000
101 -1.2981 1.00000
102 -1.2819 1.00000
103 -1.2314 1.00000
104 -1.1893 1.00000
105 -1.1787 1.00000
106 -1.1635 1.00000
107 -1.0947 1.00000
108 -1.0705 1.00000
109 -0.9037 1.00000
110 -0.8980 1.00000
111 -0.8445 1.00000
112 -0.8434 1.00000
113 -0.6190 1.00000
114 -0.6042 1.00000
115 -0.5981 1.00000
116 -0.5878 1.00000
117 -0.5840 1.00000
118 -0.5717 1.00000
119 -0.4947 1.00000
120 -0.4824 1.00000
121 -0.4590 1.00000
122 -0.4569 1.00000
123 -0.4265 1.00000
124 -0.4048 1.00000
125 -0.3470 1.00000
126 -0.3367 1.00000
127 -0.3214 1.00000
128 -0.3112 1.00000
129 -0.3062 1.00000
130 -0.2830 1.00000
131 -0.2647 1.00000
132 -0.2190 1.00000
133 0.0604 1.00000
134 0.1084 1.00000
135 0.2956 1.00000
136 0.3491 1.00000
137 0.3809 1.00000
138 0.3929 1.00000
139 0.5118 1.00000
140 0.5154 1.00000
141 0.5551 1.00000
142 0.5820 1.00000
143 0.6900 1.00000
144 0.7081 1.00000
145 0.7653 1.00000
146 0.7929 1.00000
147 0.8547 1.00000
148 0.9566 1.00000
149 1.0594 1.00000
150 1.0658 1.00000
151 1.0744 1.00000
152 1.1208 1.00000
153 1.1292 1.00000
154 1.2401 1.00000
155 1.2800 1.00000
156 1.2832 1.00000
157 1.2906 1.00000
158 1.3530 1.00000
159 1.3685 1.00000
160 1.4327 1.00000
161 1.4973 1.00000
162 1.5553 1.00000
163 1.6329 1.00000
164 1.6578 1.00000
165 1.6850 1.00000
166 1.7161 1.00000
167 1.8250 1.00000
168 1.8881 1.00000
169 2.1190 1.00000
170 2.1224 1.00000
171 2.1742 1.00000
172 2.2072 1.00000
173 2.2912 1.00000
174 2.3240 1.00000
175 2.3952 1.00000
176 2.4236 1.00000
177 2.4436 1.00000
178 2.4611 1.00000
179 2.4730 1.00000
180 2.4875 1.00000
181 2.5516 1.00000
182 2.5594 1.00000
183 2.5832 1.00000
184 2.5941 1.00000
185 2.6043 1.00000
186 2.6141 1.00000
187 2.6164 1.00000
188 2.6545 1.00000
189 2.7423 1.00000
190 2.7515 1.00000
191 2.8900 1.00000
192 2.8956 1.00000
193 5.8380 0.00000
194 5.8718 0.00000
195 6.0101 0.00000
196 6.0437 0.00000
197 6.1472 0.00000
198 6.1590 0.00000
199 6.1634 0.00000
200 6.1953 0.00000
201 6.2008 0.00000
202 6.2104 0.00000
203 6.2469 0.00000
204 6.2528 0.00000
205 6.3367 0.00000
206 6.3391 0.00000
207 6.3493 0.00000
208 6.3568 0.00000
209 6.4139 0.00000
210 6.4422 0.00000
211 6.4940 0.00000
212 6.5166 0.00000
213 6.5828 0.00000
214 6.6021 0.00000
215 6.6080 0.00000
216 6.6119 0.00000
217 6.6163 0.00000
218 6.6291 0.00000
219 6.6354 0.00000
220 6.6443 0.00000
221 6.6927 0.00000
222 6.6986 0.00000
223 6.7271 0.00000
224 6.7280 0.00000
225 6.7897 0.00000
226 6.8202 0.00000
227 6.8420 0.00000
228 6.8551 0.00000
229 7.2755 0.00000
230 7.3062 0.00000
231 7.3344 0.00000
232 7.3568 0.00000
233 7.3724 0.00000
234 7.3912 0.00000
235 7.4256 0.00000
236 7.4518 0.00000
237 7.5128 0.00000
238 7.5253 0.00000
239 7.5842 0.00000
240 7.6025 0.00000
241 8.0990 0.00000
242 8.1366 0.00000
243 8.1848 0.00000
244 8.2154 0.00000
245 8.7816 0.00000
246 8.7839 0.00000
247 8.8161 0.00000
248 8.8556 0.00000
249 8.8767 0.00000
250 8.9392 0.00000
251 8.9465 0.00000
252 8.9484 0.00000
253 8.9515 0.00000
254 8.9797 0.00000
255 9.0807 0.00000
256 9.1742 0.00000
k-point 16 : 0.2500 0.2500 0.4167
band No. band energies occupation
1 -53.3426 1.00000
2 -53.3382 1.00000
3 -53.3363 1.00000
4 -53.3363 1.00000
5 -53.3339 1.00000
6 -53.3339 1.00000
7 -53.3287 1.00000
8 -53.3269 1.00000
9 -53.3150 1.00000
10 -53.3131 1.00000
11 -53.3108 1.00000
12 -53.3108 1.00000
13 -53.3094 1.00000
14 -53.3084 1.00000
15 -53.3084 1.00000
16 -53.3050 1.00000
17 -29.7490 1.00000
18 -29.7490 1.00000
19 -29.7486 1.00000
20 -29.7423 1.00000
21 -29.7407 1.00000
22 -29.7372 1.00000
23 -29.7372 1.00000
24 -29.7147 1.00000
25 -29.7077 1.00000
26 -29.7022 1.00000
27 -29.6681 1.00000
28 -29.6681 1.00000
29 -29.6634 1.00000
30 -29.6634 1.00000
31 -29.6057 1.00000
32 -29.6056 1.00000
33 -29.6028 1.00000
34 -29.5947 1.00000
35 -29.5792 1.00000
36 -29.5788 1.00000
37 -29.5788 1.00000
38 -29.5785 1.00000
39 -29.5784 1.00000
40 -29.5772 1.00000
41 -29.5772 1.00000
42 -29.5749 1.00000
43 -29.5370 1.00000
44 -29.5370 1.00000
45 -29.5364 1.00000
46 -29.5364 1.00000
47 -29.5096 1.00000
48 -29.5049 1.00000
49 -29.4880 1.00000
50 -29.4843 1.00000
51 -29.4843 1.00000
52 -29.4827 1.00000
53 -29.4814 1.00000
54 -29.4814 1.00000
55 -29.4738 1.00000
56 -29.4698 1.00000
57 -29.4676 1.00000
58 -29.4518 1.00000
59 -29.4518 1.00000
60 -29.4501 1.00000
61 -29.4490 1.00000
62 -29.4434 1.00000
63 -29.4434 1.00000
64 -29.4431 1.00000
65 -14.1674 1.00000
66 -14.0729 1.00000
67 -13.8649 1.00000
68 -13.8649 1.00000
69 -13.8221 1.00000
70 -13.8221 1.00000
71 -13.4664 1.00000
72 -13.4043 1.00000
73 -13.3805 1.00000
74 -13.3611 1.00000
75 -13.2827 1.00000
76 -13.2567 1.00000
77 -13.1626 1.00000
78 -13.1626 1.00000
79 -13.1582 1.00000
80 -13.1582 1.00000
81 -13.1354 1.00000
82 -13.1354 1.00000
83 -13.1022 1.00000
84 -13.1013 1.00000
85 -13.1013 1.00000
86 -13.0646 1.00000
87 -13.0177 1.00000
88 -12.9726 1.00000
89 -12.9202 1.00000
90 -12.9094 1.00000
91 -12.8965 1.00000
92 -12.8965 1.00000
93 -12.8785 1.00000
94 -12.8785 1.00000
95 -12.8223 1.00000
96 -12.8035 1.00000
97 -1.4501 1.00000
98 -1.4362 1.00000
99 -1.4362 1.00000
100 -1.4353 1.00000
101 -1.4097 1.00000
102 -1.4097 1.00000
103 -1.3349 1.00000
104 -1.2933 1.00000
105 -0.9361 1.00000
106 -0.9358 1.00000
107 -0.8118 1.00000
108 -0.8118 1.00000
109 -0.8107 1.00000
110 -0.8078 1.00000
111 -0.8078 1.00000
112 -0.8018 1.00000
113 -0.6874 1.00000
114 -0.5949 1.00000
115 -0.5936 1.00000
116 -0.5936 1.00000
117 -0.5227 1.00000
118 -0.4914 1.00000
119 -0.4900 1.00000
120 -0.4470 1.00000
121 -0.4470 1.00000
122 -0.4404 1.00000
123 -0.4104 1.00000
124 -0.4104 1.00000
125 -0.4075 1.00000
126 -0.4075 1.00000
127 -0.3287 1.00000
128 -0.2981 1.00000
129 -0.1699 1.00000
130 -0.1672 1.00000
131 -0.1215 1.00000
132 -0.0851 1.00000
133 -0.0733 1.00000
134 -0.0733 1.00000
135 -0.0431 1.00000
136 -0.0431 1.00000
137 -0.0197 1.00000
138 0.0945 1.00000
139 0.4549 1.00000
140 0.5175 1.00000
141 0.5260 1.00000
142 0.5260 1.00000
143 0.6343 1.00000
144 0.6343 1.00000
145 0.7717 1.00000
146 0.7993 1.00000
147 0.9429 1.00000
148 0.9429 1.00000
149 1.0166 1.00000
150 1.0166 1.00000
151 1.1435 1.00000
152 1.1975 1.00000
153 1.3372 1.00000
154 1.3372 1.00000
155 1.3591 1.00000
156 1.3591 1.00000
157 1.3700 1.00000
158 1.4085 1.00000
159 1.6127 1.00000
160 1.6352 1.00000
161 1.7224 1.00000
162 1.7224 1.00000
163 1.7388 1.00000
164 1.7603 1.00000
165 1.8162 1.00000
166 1.8162 1.00000
167 1.8232 1.00000
168 1.8512 1.00000
169 1.9617 1.00000
170 1.9617 1.00000
171 1.9692 1.00000
172 1.9692 1.00000
173 2.0447 1.00000
174 2.1367 1.00000
175 2.3551 1.00000
176 2.3722 1.00000
177 2.4230 1.00000
178 2.4565 1.00000
179 2.4797 1.00000
180 2.4797 1.00000
181 2.4935 1.00000
182 2.4935 1.00000
183 2.6322 1.00000
184 2.6463 1.00000
185 2.6463 1.00000
186 2.6463 1.00000
187 2.6463 1.00000
188 2.6839 1.00000
189 2.7536 1.00000
190 2.7926 1.00000
191 2.9477 1.00000
192 2.9557 1.00000
193 5.8085 0.00000
194 5.8190 0.00000
195 5.9415 0.00000
196 5.9556 0.00000
197 6.1324 0.00000
198 6.1324 0.00000
199 6.1415 0.00000
200 6.1415 0.00000
201 6.2586 0.00000
202 6.2804 0.00000
203 6.2883 0.00000
204 6.2883 0.00000
205 6.3025 0.00000
206 6.3025 0.00000
207 6.4271 0.00000
208 6.4721 0.00000
209 6.5010 0.00000
210 6.5078 0.00000
211 6.5307 0.00000
212 6.5760 0.00000
213 6.5768 0.00000
214 6.5768 0.00000
215 6.5839 0.00000
216 6.5839 0.00000
217 6.6527 0.00000
218 6.6624 0.00000
219 6.6634 0.00000
220 6.6952 0.00000
221 6.7014 0.00000
222 6.7014 0.00000
223 6.7171 0.00000
224 6.7171 0.00000
225 6.8856 0.00000
226 6.8940 0.00000
227 6.9317 0.00000
228 6.9632 0.00000
229 7.0404 0.00000
230 7.0404 0.00000
231 7.0814 0.00000
232 7.0814 0.00000
233 7.3098 0.00000
234 7.3098 0.00000
235 7.3431 0.00000
236 7.3431 0.00000
237 7.5729 0.00000
238 7.5929 0.00000
239 7.6363 0.00000
240 7.6684 0.00000
241 8.2088 0.00000
242 8.2297 0.00000
243 8.5022 0.00000
244 8.5022 0.00000
245 8.5075 0.00000
246 8.5075 0.00000
247 8.7312 0.00000
248 8.8027 0.00000
249 8.9071 0.00000
250 8.9869 0.00000
251 8.9904 0.00000
252 8.9978 0.00000
253 9.2890 0.00000
254 9.2896 0.00000
255 9.3891 0.00000
256 9.3927 0.00000
k-point 17 : 0.4167 0.2500 0.4167
band No. band energies occupation
1 -53.3408 1.00000
2 -53.3386 1.00000
3 -53.3368 1.00000
4 -53.3352 1.00000
5 -53.3343 1.00000
6 -53.3320 1.00000
7 -53.3316 1.00000
8 -53.3294 1.00000
9 -53.3133 1.00000
10 -53.3118 1.00000
11 -53.3111 1.00000
12 -53.3104 1.00000
13 -53.3099 1.00000
14 -53.3095 1.00000
15 -53.3070 1.00000
16 -53.3058 1.00000
17 -29.7491 1.00000
18 -29.7490 1.00000
19 -29.7467 1.00000
20 -29.7440 1.00000
21 -29.7390 1.00000
22 -29.7378 1.00000
23 -29.7279 1.00000
24 -29.7200 1.00000
25 -29.6922 1.00000
26 -29.6861 1.00000
27 -29.6775 1.00000
28 -29.6720 1.00000
29 -29.6487 1.00000
30 -29.6419 1.00000
31 -29.6244 1.00000
32 -29.6164 1.00000
33 -29.6013 1.00000
34 -29.6011 1.00000
35 -29.5919 1.00000
36 -29.5910 1.00000
37 -29.5802 1.00000
38 -29.5797 1.00000
39 -29.5773 1.00000
40 -29.5771 1.00000
41 -29.5662 1.00000
42 -29.5651 1.00000
43 -29.5507 1.00000
44 -29.5497 1.00000
45 -29.5296 1.00000
46 -29.5278 1.00000
47 -29.5195 1.00000
48 -29.5162 1.00000
49 -29.4874 1.00000
50 -29.4860 1.00000
51 -29.4824 1.00000
52 -29.4823 1.00000
53 -29.4817 1.00000
54 -29.4786 1.00000
55 -29.4786 1.00000
56 -29.4743 1.00000
57 -29.4609 1.00000
58 -29.4557 1.00000
59 -29.4490 1.00000
60 -29.4481 1.00000
61 -29.4453 1.00000
62 -29.4430 1.00000
63 -29.4410 1.00000
64 -29.4408 1.00000
65 -14.0652 1.00000
66 -13.9782 1.00000
67 -13.9539 1.00000
68 -13.8846 1.00000
69 -13.7254 1.00000
70 -13.6802 1.00000
71 -13.5567 1.00000
72 -13.5091 1.00000
73 -13.3925 1.00000
74 -13.3130 1.00000
75 -13.2804 1.00000
76 -13.2375 1.00000
77 -13.2172 1.00000
78 -13.2137 1.00000
79 -13.1930 1.00000
80 -13.1756 1.00000
81 -13.1427 1.00000
82 -13.1272 1.00000
83 -13.1168 1.00000
84 -13.0894 1.00000
85 -13.0563 1.00000
86 -13.0528 1.00000
87 -12.9808 1.00000
88 -12.9803 1.00000
89 -12.9716 1.00000
90 -12.9403 1.00000
91 -12.9314 1.00000
92 -12.9006 1.00000
93 -12.8796 1.00000
94 -12.8594 1.00000
95 -12.8520 1.00000
96 -12.8298 1.00000
97 -1.4467 1.00000
98 -1.4395 1.00000
99 -1.4315 1.00000
100 -1.4170 1.00000
101 -1.3846 1.00000
102 -1.3664 1.00000
103 -1.2930 1.00000
104 -1.2555 1.00000
105 -1.1799 1.00000
106 -1.1708 1.00000
107 -1.1013 1.00000
108 -1.0836 1.00000
109 -0.8381 1.00000
110 -0.8309 1.00000
111 -0.8245 1.00000
112 -0.8202 1.00000
113 -0.6473 1.00000
114 -0.6150 1.00000
115 -0.5867 1.00000
116 -0.5750 1.00000
117 -0.4737 1.00000
118 -0.4625 1.00000
119 -0.4463 1.00000
120 -0.4345 1.00000
121 -0.3769 1.00000
122 -0.3650 1.00000
123 -0.3627 1.00000
124 -0.3374 1.00000
125 -0.3002 1.00000
126 -0.2988 1.00000
127 -0.2776 1.00000
128 -0.2715 1.00000
129 -0.1289 1.00000
130 -0.0969 1.00000
131 -0.0967 1.00000
132 -0.0585 1.00000
133 -0.0048 1.00000
134 0.1185 1.00000
135 0.2239 1.00000
136 0.3393 1.00000
137 0.3530 1.00000
138 0.3542 1.00000
139 0.5141 1.00000
140 0.5350 1.00000
141 0.5531 1.00000
142 0.5779 1.00000
143 0.6015 1.00000
144 0.6158 1.00000
145 0.6217 1.00000
146 0.7046 1.00000
147 0.7433 1.00000
148 0.7460 1.00000
149 1.0393 1.00000
150 1.0410 1.00000
151 1.0667 1.00000
152 1.1665 1.00000
153 1.1799 1.00000
154 1.1897 1.00000
155 1.2510 1.00000
156 1.3788 1.00000
157 1.4071 1.00000
158 1.4458 1.00000
159 1.4542 1.00000
160 1.5088 1.00000
161 1.5234 1.00000
162 1.5365 1.00000
163 1.6580 1.00000
164 1.6763 1.00000
165 1.7012 1.00000
166 1.7128 1.00000
167 1.8321 1.00000
168 1.8562 1.00000
169 2.0494 1.00000
170 2.0885 1.00000
171 2.1366 1.00000
172 2.1537 1.00000
173 2.1658 1.00000
174 2.2048 1.00000
175 2.2490 1.00000
176 2.2970 1.00000
177 2.4627 1.00000
178 2.4794 1.00000
179 2.4810 1.00000
180 2.4948 1.00000
181 2.5024 1.00000
182 2.5082 1.00000
183 2.5336 1.00000
184 2.5580 1.00000
185 2.7142 1.00000
186 2.7257 1.00000
187 2.7409 1.00000
188 2.7887 1.00000
189 2.7962 1.00000
190 2.8117 1.00000
191 2.9026 1.00000
192 2.9208 1.00000
193 5.9575 0.00000
194 5.9713 0.00000
195 6.0410 0.00000
196 6.0431 0.00000
197 6.0858 0.00000
198 6.1044 0.00000
199 6.1384 0.00000
200 6.1406 0.00000
201 6.1491 0.00000
202 6.1562 0.00000
203 6.2530 0.00000
204 6.2630 0.00000
205 6.2647 0.00000
206 6.2649 0.00000
207 6.3327 0.00000
208 6.3602 0.00000
209 6.3637 0.00000
210 6.4199 0.00000
211 6.4759 0.00000
212 6.4883 0.00000
213 6.5251 0.00000
214 6.5590 0.00000
215 6.5749 0.00000
216 6.5812 0.00000
217 6.6482 0.00000
218 6.6493 0.00000
219 6.6548 0.00000
220 6.6686 0.00000
221 6.6763 0.00000
222 6.6817 0.00000
223 6.6818 0.00000
224 6.7107 0.00000
225 6.7278 0.00000
226 6.7522 0.00000
227 6.7812 0.00000
228 6.8097 0.00000
229 7.0428 0.00000
230 7.0679 0.00000
231 7.1729 0.00000
232 7.1890 0.00000
233 7.2139 0.00000
234 7.2187 0.00000
235 7.3230 0.00000
236 7.3735 0.00000
237 7.3751 0.00000
238 7.4015 0.00000
239 7.4726 0.00000
240 7.5168 0.00000
241 8.3161 0.00000
242 8.3298 0.00000
243 8.4053 0.00000
244 8.4145 0.00000
245 8.6930 0.00000
246 8.6955 0.00000
247 8.8400 0.00000
248 8.8467 0.00000
249 8.9777 0.00000
250 9.0667 0.00000
251 9.1543 0.00000
252 9.1835 0.00000
253 9.2430 0.00000
254 9.2636 0.00000
255 9.3381 0.00000
256 9.3781 0.00000
k-point 18 : 0.4167 0.4167 0.4167
band No. band energies occupation
1 -53.3390 1.00000
2 -53.3367 1.00000
3 -53.3367 1.00000
4 -53.3353 1.00000
5 -53.3342 1.00000
6 -53.3335 1.00000
7 -53.3335 1.00000
8 -53.3313 1.00000
9 -53.3123 1.00000
10 -53.3113 1.00000
11 -53.3113 1.00000
12 -53.3105 1.00000
13 -53.3094 1.00000
14 -53.3080 1.00000
15 -53.3080 1.00000
16 -53.3067 1.00000
17 -29.7483 1.00000
18 -29.7473 1.00000
19 -29.7473 1.00000
20 -29.7453 1.00000
21 -29.7339 1.00000
22 -29.7301 1.00000
23 -29.7301 1.00000
24 -29.7239 1.00000
25 -29.6764 1.00000
26 -29.6686 1.00000
27 -29.6598 1.00000
28 -29.6598 1.00000
29 -29.6520 1.00000
30 -29.6520 1.00000
31 -29.6394 1.00000
32 -29.6306 1.00000
33 -29.5983 1.00000
34 -29.5978 1.00000
35 -29.5911 1.00000
36 -29.5911 1.00000
37 -29.5898 1.00000
38 -29.5898 1.00000
39 -29.5879 1.00000
40 -29.5860 1.00000
41 -29.5554 1.00000
42 -29.5538 1.00000
43 -29.5420 1.00000
44 -29.5420 1.00000
45 -29.5400 1.00000
46 -29.5400 1.00000
47 -29.5305 1.00000
48 -29.5276 1.00000
49 -29.4868 1.00000
50 -29.4849 1.00000
51 -29.4849 1.00000
52 -29.4822 1.00000
53 -29.4814 1.00000
54 -29.4798 1.00000
55 -29.4798 1.00000
56 -29.4770 1.00000
57 -29.4556 1.00000
58 -29.4517 1.00000
59 -29.4517 1.00000
60 -29.4493 1.00000
61 -29.4416 1.00000
62 -29.4400 1.00000
63 -29.4400 1.00000
64 -29.4392 1.00000
65 -13.9518 1.00000
66 -13.8683 1.00000
67 -13.8263 1.00000
68 -13.8263 1.00000
69 -13.7558 1.00000
70 -13.7558 1.00000
71 -13.6793 1.00000
72 -13.6128 1.00000
73 -13.3362 1.00000
74 -13.2598 1.00000
75 -13.2486 1.00000
76 -13.2486 1.00000
77 -13.1996 1.00000
78 -13.1867 1.00000
79 -13.1867 1.00000
80 -13.1814 1.00000
81 -13.1579 1.00000
82 -13.1425 1.00000
83 -13.1212 1.00000
84 -13.1212 1.00000
85 -13.1044 1.00000
86 -13.1044 1.00000
87 -13.0462 1.00000
88 -13.0308 1.00000
89 -12.9528 1.00000
90 -12.9138 1.00000
91 -12.9114 1.00000
92 -12.9114 1.00000
93 -12.8798 1.00000
94 -12.8793 1.00000
95 -12.8793 1.00000
96 -12.8497 1.00000
97 -1.4334 1.00000
98 -1.4230 1.00000
99 -1.3865 1.00000
100 -1.3865 1.00000
101 -1.3814 1.00000
102 -1.3814 1.00000
103 -1.2684 1.00000
104 -1.2354 1.00000
105 -1.2304 1.00000
106 -1.2287 1.00000
107 -1.1053 1.00000
108 -1.1053 1.00000
109 -1.0826 1.00000
110 -1.0826 1.00000
111 -1.0652 1.00000
112 -1.0366 1.00000
113 -0.6019 1.00000
114 -0.5842 1.00000
115 -0.5834 1.00000
116 -0.5834 1.00000
117 -0.4320 1.00000
118 -0.4001 1.00000
119 -0.4001 1.00000
120 -0.3826 1.00000
121 -0.2964 1.00000
122 -0.2869 1.00000
123 -0.2869 1.00000
124 -0.2740 1.00000
125 -0.2337 1.00000
126 -0.2311 1.00000
127 -0.2311 1.00000
128 -0.2100 1.00000
129 0.0094 1.00000
130 0.1177 1.00000
131 0.1938 1.00000
132 0.1938 1.00000
133 0.2528 1.00000
134 0.2528 1.00000
135 0.3560 1.00000
136 0.3758 1.00000
137 0.4015 1.00000
138 0.4139 1.00000
139 0.5001 1.00000
140 0.5001 1.00000
141 0.5308 1.00000
142 0.5308 1.00000
143 0.6101 1.00000
144 0.6770 1.00000
145 0.6787 1.00000
146 0.6917 1.00000
147 0.8593 1.00000
148 0.8593 1.00000
149 0.9160 1.00000
150 0.9160 1.00000
151 0.9468 1.00000
152 0.9713 1.00000
153 1.1066 1.00000
154 1.1662 1.00000
155 1.1913 1.00000
156 1.1913 1.00000
157 1.2262 1.00000
158 1.2262 1.00000
159 1.3021 1.00000
160 1.3727 1.00000
161 1.5295 1.00000
162 1.5940 1.00000
163 1.5995 1.00000
164 1.5995 1.00000
165 1.6915 1.00000
166 1.6955 1.00000
167 1.6955 1.00000
168 1.8328 1.00000
169 2.1191 1.00000
170 2.1508 1.00000
171 2.1508 1.00000
172 2.2166 1.00000
173 2.2166 1.00000
174 2.2400 1.00000
175 2.2922 1.00000
176 2.3489 1.00000
177 2.4005 1.00000
178 2.4315 1.00000
179 2.4394 1.00000
180 2.4394 1.00000
181 2.4499 1.00000
182 2.4847 1.00000
183 2.5028 1.00000
184 2.5028 1.00000
185 2.8323 1.00000
186 2.8603 1.00000
187 2.8603 1.00000
188 2.8634 1.00000
189 2.8634 1.00000
190 2.8741 1.00000
191 2.9070 1.00000
192 2.9267 1.00000
193 5.9836 0.00000
194 5.9983 0.00000
195 6.0114 0.00000
196 6.0114 0.00000
197 6.0284 0.00000
198 6.0284 0.00000
199 6.0480 0.00000
200 6.0658 0.00000
201 6.2402 0.00000
202 6.2616 0.00000
203 6.2616 0.00000
204 6.2819 0.00000
205 6.2819 0.00000
206 6.2875 0.00000
207 6.3039 0.00000
208 6.3092 0.00000
209 6.3673 0.00000
210 6.3848 0.00000
211 6.4139 0.00000
212 6.4464 0.00000
213 6.4464 0.00000
214 6.4782 0.00000
215 6.4782 0.00000
216 6.5117 0.00000
217 6.6154 0.00000
218 6.6171 0.00000
219 6.6173 0.00000
220 6.6245 0.00000
221 6.6245 0.00000
222 6.6374 0.00000
223 6.6379 0.00000
224 6.6379 0.00000
225 6.7915 0.00000
226 6.8255 0.00000
227 6.9435 0.00000
228 6.9435 0.00000
229 6.9869 0.00000
230 6.9869 0.00000
231 6.9929 0.00000
232 7.0653 0.00000
233 7.1572 0.00000
234 7.1596 0.00000
235 7.1596 0.00000
236 7.1937 0.00000
237 7.2229 0.00000
238 7.2229 0.00000
239 7.3054 0.00000
240 7.3645 0.00000
241 8.4661 0.00000
242 8.4710 0.00000
243 8.5797 0.00000
244 8.5797 0.00000
245 8.5803 0.00000
246 8.5803 0.00000
247 8.7099 0.00000
248 8.7132 0.00000
249 9.1472 0.00000
250 9.2528 0.00000
251 9.2788 0.00000
252 9.2789 0.00000
253 9.3778 0.00000
254 9.3982 0.00000
255 9.3986 0.00000
256 9.5016 0.00000
spin component 2
k-point 1 : 0.0833 0.0833 0.0833
band No. band energies occupation
1 -53.3495 1.00000
2 -53.3367 1.00000
3 -53.3367 1.00000
4 -53.3334 1.00000
5 -53.3334 1.00000
6 -53.3277 1.00000
7 -53.3237 1.00000
8 -53.3210 1.00000
9 -53.3208 1.00000
10 -53.3200 1.00000
11 -53.3171 1.00000
12 -53.3113 1.00000
13 -53.3113 1.00000
14 -53.3080 1.00000
15 -53.3080 1.00000
16 -53.2991 1.00000
17 -29.7739 1.00000
18 -29.7595 1.00000
19 -29.7595 1.00000
20 -29.7462 1.00000
21 -29.7462 1.00000
22 -29.7456 1.00000
23 -29.7356 1.00000
24 -29.7336 1.00000
25 -29.7245 1.00000
26 -29.6616 1.00000
27 -29.6616 1.00000
28 -29.6591 1.00000
29 -29.6591 1.00000
30 -29.6297 1.00000
31 -29.6051 1.00000
32 -29.6027 1.00000
33 -29.6003 1.00000
34 -29.5976 1.00000
35 -29.5937 1.00000
36 -29.5773 1.00000
37 -29.5684 1.00000
38 -29.5684 1.00000
39 -29.5681 1.00000
40 -29.5659 1.00000
41 -29.5659 1.00000
42 -29.5620 1.00000
43 -29.5600 1.00000
44 -29.5466 1.00000
45 -29.5466 1.00000
46 -29.5449 1.00000
47 -29.5449 1.00000
48 -29.4977 1.00000
49 -29.4962 1.00000
50 -29.4850 1.00000
51 -29.4850 1.00000
52 -29.4823 1.00000
53 -29.4823 1.00000
54 -29.4763 1.00000
55 -29.4762 1.00000
56 -29.4651 1.00000
57 -29.4582 1.00000
58 -29.4569 1.00000
59 -29.4493 1.00000
60 -29.4490 1.00000
61 -29.4490 1.00000
62 -29.4391 1.00000
63 -29.4391 1.00000
64 -29.4268 1.00000
65 -14.3935 1.00000
66 -13.9293 1.00000
67 -13.9124 1.00000
68 -13.9124 1.00000
69 -13.8611 1.00000
70 -13.8611 1.00000
71 -13.7911 1.00000
72 -13.3980 1.00000
73 -13.3245 1.00000
74 -13.2229 1.00000
75 -13.2023 1.00000
76 -13.1922 1.00000
77 -13.1922 1.00000
78 -13.1819 1.00000
79 -13.1819 1.00000
80 -13.1682 1.00000
81 -13.1349 1.00000
82 -13.1166 1.00000
83 -13.0516 1.00000
84 -13.0375 1.00000
85 -13.0375 1.00000
86 -12.9775 1.00000
87 -12.9775 1.00000
88 -12.9529 1.00000
89 -12.9255 1.00000
90 -12.9255 1.00000
91 -12.9174 1.00000
92 -12.9174 1.00000
93 -12.8412 1.00000
94 -12.8186 1.00000
95 -12.8133 1.00000
96 -12.7873 1.00000
97 -1.3434 1.00000
98 -1.3434 1.00000
99 -1.3177 1.00000
100 -1.2701 1.00000
101 -1.2638 1.00000
102 -1.1797 1.00000
103 -1.1797 1.00000
104 -1.1145 1.00000
105 -1.0567 1.00000
106 -1.0357 1.00000
107 -1.0357 1.00000
108 -0.8758 1.00000
109 -0.8282 1.00000
110 -0.7962 1.00000
111 -0.7868 1.00000
112 -0.7868 1.00000
113 -0.7203 1.00000
114 -0.6756 1.00000
115 -0.6563 1.00000
116 -0.6284 1.00000
117 -0.6153 1.00000
118 -0.5846 1.00000
119 -0.5846 1.00000
120 -0.5670 1.00000
121 -0.5670 1.00000
122 -0.5599 1.00000
123 -0.5599 1.00000
124 -0.5516 1.00000
125 -0.5516 1.00000
126 -0.5040 1.00000
127 -0.4900 1.00000
128 -0.4885 1.00000
129 -0.4565 1.00000
130 -0.4446 1.00000
131 -0.4392 1.00000
132 -0.2376 1.00000
133 0.0745 1.00000
134 0.0745 1.00000
135 0.1455 1.00000
136 0.1455 1.00000
137 0.4354 1.00000
138 0.4455 1.00000
139 0.4675 1.00000
140 0.4675 1.00000
141 0.5596 1.00000
142 0.6312 1.00000
143 0.7554 1.00000
144 0.7554 1.00000
145 0.9653 1.00000
146 0.9849 1.00000
147 0.9849 1.00000
148 1.0923 1.00000
149 1.0923 1.00000
150 1.1028 1.00000
151 1.1167 1.00000
152 1.1352 1.00000
153 1.1473 1.00000
154 1.1473 1.00000
155 1.1578 1.00000
156 1.1735 1.00000
157 1.2049 1.00000
158 1.2511 1.00000
159 1.2511 1.00000
160 1.2820 1.00000
161 1.4456 1.00000
162 1.8336 1.00000
163 1.8452 1.00000
164 1.8601 1.00000
165 1.8601 1.00000
166 1.8658 1.00000
167 1.9085 1.00000
168 1.9619 1.00000
169 1.9619 1.00000
170 2.1614 1.00000
171 2.1614 1.00000
172 2.2016 1.00000
173 2.2016 1.00000
174 2.2264 1.00000
175 2.2264 1.00000
176 2.2395 1.00000
177 2.2395 1.00000
178 2.2829 1.00000
179 2.2851 1.00000
180 2.3197 1.00000
181 2.3197 1.00000
182 2.3514 1.00000
183 2.3514 1.00000
184 2.3620 1.00000
185 2.6302 1.00000
186 2.7406 1.00000
187 2.9623 1.00000
188 2.9701 1.00000
189 2.9946 1.00000
190 3.0579 1.00000
191 3.0803 1.00000
192 3.1239 1.00000
193 5.2989 0.00000
194 5.5489 0.00000
195 5.6290 0.00000
196 5.9001 0.00000
197 6.2735 0.00000
198 6.3283 0.00000
199 6.3286 0.00000
200 6.3286 0.00000
201 6.3388 0.00000
202 6.3388 0.00000
203 6.3404 0.00000
204 6.4003 0.00000
205 6.4391 0.00000
206 6.4391 0.00000
207 6.4702 0.00000
208 6.4702 0.00000
209 6.5735 0.00000
210 6.5735 0.00000
211 6.5962 0.00000
212 6.5962 0.00000
213 6.6658 0.00000
214 6.6658 0.00000
215 6.6983 0.00000
216 6.6983 0.00000
217 6.7126 0.00000
218 6.7541 0.00000
219 6.7562 0.00000
220 6.7658 0.00000
221 6.7855 0.00000
222 6.8325 0.00000
223 6.9268 0.00000
224 6.9641 0.00000
225 7.0338 0.00000
226 7.0492 0.00000
227 7.2136 0.00000
228 7.2149 0.00000
229 7.2726 0.00000
230 7.2726 0.00000
231 7.3350 0.00000
232 7.3350 0.00000
233 7.4184 0.00000
234 7.4184 0.00000
235 7.4483 0.00000
236 7.4483 0.00000
237 7.8112 0.00000
238 7.8374 0.00000
239 7.8376 0.00000
240 7.8686 0.00000
241 7.9634 0.00000
242 8.0540 0.00000
243 8.1087 0.00000
244 8.2334 0.00000
245 8.3559 0.00000
246 8.3559 0.00000
247 8.3786 0.00000
248 8.3796 0.00000
249 8.3796 0.00000
250 8.7491 0.00000
251 8.9330 0.00000
252 9.0482 0.00000
253 9.0504 0.00000
254 9.0782 0.00000
255 9.0811 0.00000
256 9.2986 0.00000
k-point 2 : 0.2500 0.0833 0.0833
band No. band energies occupation
1 -53.3484 1.00000
2 -53.3401 1.00000
3 -53.3355 1.00000
4 -53.3323 1.00000
5 -53.3307 1.00000
6 -53.3274 1.00000
7 -53.3272 1.00000
8 -53.3240 1.00000
9 -53.3208 1.00000
10 -53.3173 1.00000
11 -53.3146 1.00000
12 -53.3141 1.00000
13 -53.3119 1.00000
14 -53.3086 1.00000
15 -53.3051 1.00000
16 -53.2997 1.00000
17 -29.7732 1.00000
18 -29.7666 1.00000
19 -29.7586 1.00000
20 -29.7518 1.00000
21 -29.7455 1.00000
22 -29.7401 1.00000
23 -29.7256 1.00000
24 -29.7181 1.00000
25 -29.7093 1.00000
26 -29.6677 1.00000
27 -29.6641 1.00000
28 -29.6546 1.00000
29 -29.6463 1.00000
30 -29.6436 1.00000
31 -29.6101 1.00000
32 -29.6042 1.00000
33 -29.6017 1.00000
34 -29.5923 1.00000
35 -29.5889 1.00000
36 -29.5769 1.00000
37 -29.5762 1.00000
38 -29.5762 1.00000
39 -29.5754 1.00000
40 -29.5710 1.00000
41 -29.5639 1.00000
42 -29.5607 1.00000
43 -29.5571 1.00000
44 -29.5531 1.00000
45 -29.5508 1.00000
46 -29.5466 1.00000
47 -29.5396 1.00000
48 -29.5049 1.00000
49 -29.4953 1.00000
50 -29.4880 1.00000
51 -29.4852 1.00000
52 -29.4817 1.00000
53 -29.4800 1.00000
54 -29.4765 1.00000
55 -29.4758 1.00000
56 -29.4728 1.00000
57 -29.4662 1.00000
58 -29.4591 1.00000
59 -29.4512 1.00000
60 -29.4473 1.00000
61 -29.4424 1.00000
62 -29.4375 1.00000
63 -29.4308 1.00000
64 -29.4247 1.00000
65 -14.3325 1.00000
66 -13.9946 1.00000
67 -13.8890 1.00000
68 -13.8368 1.00000
69 -13.8325 1.00000
70 -13.7798 1.00000
71 -13.7362 1.00000
72 -13.3624 1.00000
73 -13.3341 1.00000
74 -13.2979 1.00000
75 -13.2651 1.00000
76 -13.2163 1.00000
77 -13.2152 1.00000
78 -13.2055 1.00000
79 -13.1767 1.00000
80 -13.1480 1.00000
81 -13.1392 1.00000
82 -13.1381 1.00000
83 -13.0882 1.00000
84 -13.0651 1.00000
85 -13.0270 1.00000
86 -13.0256 1.00000
87 -12.9679 1.00000
88 -12.9366 1.00000
89 -12.9335 1.00000
90 -12.9179 1.00000
91 -12.9066 1.00000
92 -12.8827 1.00000
93 -12.8695 1.00000
94 -12.8535 1.00000
95 -12.8334 1.00000
96 -12.7933 1.00000
97 -1.4743 1.00000
98 -1.4244 1.00000
99 -1.4029 1.00000
100 -1.3512 1.00000
101 -1.3356 1.00000
102 -1.2826 1.00000
103 -1.1923 1.00000
104 -1.1366 1.00000
105 -1.0376 1.00000
106 -1.0346 1.00000
107 -0.8905 1.00000
108 -0.8741 1.00000
109 -0.8624 1.00000
110 -0.8057 1.00000
111 -0.8039 1.00000
112 -0.7937 1.00000
113 -0.7292 1.00000
114 -0.7271 1.00000
115 -0.6537 1.00000
116 -0.6527 1.00000
117 -0.6433 1.00000
118 -0.6073 1.00000
119 -0.5894 1.00000
120 -0.5848 1.00000
121 -0.5594 1.00000
122 -0.5562 1.00000
123 -0.5019 1.00000
124 -0.4017 1.00000
125 -0.4010 1.00000
126 -0.3892 1.00000
127 -0.3708 1.00000
128 -0.2823 1.00000
129 -0.2285 1.00000
130 -0.2125 1.00000
131 -0.1430 1.00000
132 -0.1405 1.00000
133 0.0665 1.00000
134 0.0841 1.00000
135 0.0897 1.00000
136 0.1326 1.00000
137 0.3015 1.00000
138 0.3304 1.00000
139 0.3813 1.00000
140 0.4662 1.00000
141 0.5811 1.00000
142 0.6533 1.00000
143 0.7305 1.00000
144 0.7493 1.00000
145 0.8500 1.00000
146 0.8923 1.00000
147 0.9337 1.00000
148 0.9416 1.00000
149 0.9466 1.00000
150 1.0132 1.00000
151 1.0248 1.00000
152 1.0436 1.00000
153 1.0838 1.00000
154 1.0922 1.00000
155 1.1384 1.00000
156 1.1646 1.00000
157 1.2644 1.00000
158 1.3482 1.00000
159 1.4266 1.00000
160 1.6055 1.00000
161 1.6255 1.00000
162 1.7182 1.00000
163 1.7574 1.00000
164 1.8303 1.00000
165 1.8705 1.00000
166 1.8751 1.00000
167 1.8894 1.00000
168 1.9425 1.00000
169 2.0256 1.00000
170 2.1059 1.00000
171 2.1307 1.00000
172 2.1708 1.00000
173 2.2228 1.00000
174 2.2325 1.00000
175 2.2557 1.00000
176 2.2777 1.00000
177 2.3126 1.00000
178 2.3368 1.00000
179 2.3587 1.00000
180 2.3755 1.00000
181 2.4087 1.00000
182 2.4106 1.00000
183 2.4660 1.00000
184 2.4937 1.00000
185 2.5361 1.00000
186 2.7585 1.00000
187 2.7776 1.00000
188 2.7973 1.00000
189 2.8629 1.00000
190 2.9540 1.00000
191 3.0764 1.00000
192 3.1110 1.00000
193 5.5796 0.00000
194 5.6659 0.00000
195 5.8514 0.00000
196 5.9520 0.00000
197 6.1693 0.00000
198 6.1984 0.00000
199 6.2100 0.00000
200 6.2427 0.00000
201 6.2538 0.00000
202 6.2611 0.00000
203 6.2778 0.00000
204 6.3416 0.00000
205 6.3513 0.00000
206 6.4172 0.00000
207 6.4331 0.00000
208 6.4433 0.00000
209 6.5627 0.00000
210 6.5699 0.00000
211 6.6000 0.00000
212 6.6049 0.00000
213 6.6051 0.00000
214 6.6059 0.00000
215 6.6087 0.00000
216 6.6286 0.00000
217 6.6648 0.00000
218 6.6715 0.00000
219 6.7283 0.00000
220 6.7443 0.00000
221 6.7671 0.00000
222 6.7873 0.00000
223 6.8008 0.00000
224 6.8077 0.00000
225 6.8341 0.00000
226 6.9636 0.00000
227 7.0580 0.00000
228 7.1009 0.00000
229 7.1066 0.00000
230 7.2076 0.00000
231 7.2629 0.00000
232 7.2950 0.00000
233 7.3580 0.00000
234 7.4330 0.00000
235 7.4365 0.00000
236 7.4500 0.00000
237 7.6749 0.00000
238 7.6980 0.00000
239 7.7584 0.00000
240 7.7954 0.00000
241 8.0693 0.00000
242 8.2265 0.00000
243 8.2938 0.00000
244 8.3549 0.00000
245 8.4058 0.00000
246 8.4483 0.00000
247 8.5890 0.00000
248 8.5944 0.00000
249 8.6979 0.00000
250 8.8519 0.00000
251 8.9807 0.00000
252 9.0112 0.00000
253 9.1265 0.00000
254 9.1421 0.00000
255 9.1870 0.00000
256 9.2184 0.00000
k-point 3 : 0.4167 0.0833 0.0833
band No. band energies occupation
1 -53.3463 1.00000
2 -53.3434 1.00000
3 -53.3334 1.00000
4 -53.3305 1.00000
5 -53.3302 1.00000
6 -53.3286 1.00000
7 -53.3275 1.00000
8 -53.3273 1.00000
9 -53.3197 1.00000
10 -53.3176 1.00000
11 -53.3149 1.00000
12 -53.3131 1.00000
13 -53.3117 1.00000
14 -53.3099 1.00000
15 -53.3027 1.00000
16 -53.3009 1.00000
17 -29.7719 1.00000
18 -29.7700 1.00000
19 -29.7571 1.00000
20 -29.7551 1.00000
21 -29.7443 1.00000
22 -29.7427 1.00000
23 -29.6989 1.00000
24 -29.6987 1.00000
25 -29.6912 1.00000
26 -29.6804 1.00000
27 -29.6749 1.00000
28 -29.6694 1.00000
29 -29.6411 1.00000
30 -29.6255 1.00000
31 -29.6250 1.00000
32 -29.5996 1.00000
33 -29.5987 1.00000
34 -29.5971 1.00000
35 -29.5884 1.00000
36 -29.5883 1.00000
37 -29.5795 1.00000
38 -29.5762 1.00000
39 -29.5752 1.00000
40 -29.5734 1.00000
41 -29.5651 1.00000
42 -29.5624 1.00000
43 -29.5622 1.00000
44 -29.5613 1.00000
45 -29.5499 1.00000
46 -29.5470 1.00000
47 -29.5298 1.00000
48 -29.5170 1.00000
49 -29.4934 1.00000
50 -29.4909 1.00000
51 -29.4837 1.00000
52 -29.4794 1.00000
53 -29.4791 1.00000
54 -29.4783 1.00000
55 -29.4772 1.00000
56 -29.4737 1.00000
57 -29.4733 1.00000
58 -29.4676 1.00000
59 -29.4472 1.00000
60 -29.4461 1.00000
61 -29.4379 1.00000
62 -29.4364 1.00000
63 -29.4254 1.00000
64 -29.4236 1.00000
65 -14.2270 1.00000
66 -14.1049 1.00000
67 -13.8519 1.00000
68 -13.8346 1.00000
69 -13.6880 1.00000
70 -13.6320 1.00000
71 -13.6047 1.00000
72 -13.5086 1.00000
73 -13.4470 1.00000
74 -13.4165 1.00000
75 -13.3071 1.00000
76 -13.2539 1.00000
77 -13.2437 1.00000
78 -13.1920 1.00000
79 -13.1833 1.00000
80 -13.1625 1.00000
81 -13.0909 1.00000
82 -13.0842 1.00000
83 -13.0779 1.00000
84 -13.0718 1.00000
85 -13.0383 1.00000
86 -12.9914 1.00000
87 -12.9807 1.00000
88 -12.9486 1.00000
89 -12.9198 1.00000
90 -12.9067 1.00000
91 -12.9032 1.00000
92 -12.9006 1.00000
93 -12.8810 1.00000
94 -12.8804 1.00000
95 -12.8755 1.00000
96 -12.8350 1.00000
97 -1.4116 1.00000
98 -1.3866 1.00000
99 -1.3510 1.00000
100 -1.3227 1.00000
101 -1.3219 1.00000
102 -1.3010 1.00000
103 -1.2533 1.00000
104 -1.1916 1.00000
105 -1.1357 1.00000
106 -1.1348 1.00000
107 -1.1145 1.00000
108 -1.0453 1.00000
109 -1.0359 1.00000
110 -1.0186 1.00000
111 -0.7735 1.00000
112 -0.7626 1.00000
113 -0.7594 1.00000
114 -0.7447 1.00000
115 -0.6369 1.00000
116 -0.6143 1.00000
117 -0.6064 1.00000
118 -0.6021 1.00000
119 -0.5902 1.00000
120 -0.5865 1.00000
121 -0.5702 1.00000
122 -0.5668 1.00000
123 -0.4418 1.00000
124 -0.4043 1.00000
125 -0.2891 1.00000
126 -0.2145 1.00000
127 -0.2130 1.00000
128 -0.1275 1.00000
129 -0.1186 1.00000
130 -0.0073 1.00000
131 0.1072 1.00000
132 0.1185 1.00000
133 0.1671 1.00000
134 0.1864 1.00000
135 0.2229 1.00000
136 0.3769 1.00000
137 0.3780 1.00000
138 0.4552 1.00000
139 0.5312 1.00000
140 0.5489 1.00000
141 0.5544 1.00000
142 0.6169 1.00000
143 0.6212 1.00000
144 0.6768 1.00000
145 0.7294 1.00000
146 0.7485 1.00000
147 0.8189 1.00000
148 0.8968 1.00000
149 0.9044 1.00000
150 0.9516 1.00000
151 1.0131 1.00000
152 1.0327 1.00000
153 1.0395 1.00000
154 1.0498 1.00000
155 1.0931 1.00000
156 1.1430 1.00000
157 1.2103 1.00000
158 1.2710 1.00000
159 1.2840 1.00000
160 1.2915 1.00000
161 1.6114 1.00000
162 1.6203 1.00000
163 1.6750 1.00000
164 1.7247 1.00000
165 1.7535 1.00000
166 1.8863 1.00000
167 1.9090 1.00000
168 1.9503 1.00000
169 1.9978 1.00000
170 2.0744 1.00000
171 2.1602 1.00000
172 2.2462 1.00000
173 2.2518 1.00000
174 2.2722 1.00000
175 2.3022 1.00000
176 2.3663 1.00000
177 2.3696 1.00000
178 2.4329 1.00000
179 2.4391 1.00000
180 2.4509 1.00000
181 2.5315 1.00000
182 2.5588 1.00000
183 2.5776 1.00000
184 2.5849 1.00000
185 2.6260 1.00000
186 2.6764 1.00000
187 2.7361 1.00000
188 2.7694 1.00000
189 2.7883 1.00000
190 2.8000 1.00000
191 2.9809 1.00000
192 3.0071 1.00000
193 5.8124 0.00000
194 5.9782 0.00000
195 5.9884 0.00000
196 6.0567 0.00000
197 6.1278 0.00000
198 6.1345 0.00000
199 6.1359 0.00000
200 6.1778 0.00000
201 6.1868 0.00000
202 6.2149 0.00000
203 6.2249 0.00000
204 6.2593 0.00000
205 6.2821 0.00000
206 6.3179 0.00000
207 6.3351 0.00000
208 6.3587 0.00000
209 6.3783 0.00000
210 6.3981 0.00000
211 6.4888 0.00000
212 6.5258 0.00000
213 6.5269 0.00000
214 6.5731 0.00000
215 6.5811 0.00000
216 6.6008 0.00000
217 6.6024 0.00000
218 6.6030 0.00000
219 6.6373 0.00000
220 6.6632 0.00000
221 6.7333 0.00000
222 6.7694 0.00000
223 6.7778 0.00000
224 6.7990 0.00000
225 6.8140 0.00000
226 6.8162 0.00000
227 6.9282 0.00000
228 6.9362 0.00000
229 7.2095 0.00000
230 7.2824 0.00000
231 7.3275 0.00000
232 7.3357 0.00000
233 7.3366 0.00000
234 7.4100 0.00000
235 7.4587 0.00000
236 7.4710 0.00000
237 7.4972 0.00000
238 7.5157 0.00000
239 7.6133 0.00000
240 7.6579 0.00000
241 8.1429 0.00000
242 8.2177 0.00000
243 8.2618 0.00000
244 8.3058 0.00000
245 8.6997 0.00000
246 8.7107 0.00000
247 8.7965 0.00000
248 8.8228 0.00000
249 8.8664 0.00000
250 8.8770 0.00000
251 8.9390 0.00000
252 8.9623 0.00000
253 9.0030 0.00000
254 9.0540 0.00000
255 9.0546 0.00000
256 9.3492 0.00000
k-point 4 : 0.2500 0.2500 0.0833
band No. band energies occupation
1 -53.3473 1.00000
2 -53.3390 1.00000
3 -53.3390 1.00000
4 -53.3306 1.00000
5 -53.3296 1.00000
6 -53.3296 1.00000
7 -53.3269 1.00000
8 -53.3222 1.00000
9 -53.3207 1.00000
10 -53.3196 1.00000
11 -53.3152 1.00000
12 -53.3152 1.00000
13 -53.3112 1.00000
14 -53.3057 1.00000
15 -53.3057 1.00000
16 -53.3003 1.00000
17 -29.7724 1.00000
18 -29.7657 1.00000
19 -29.7657 1.00000
20 -29.7584 1.00000
21 -29.7254 1.00000
22 -29.7252 1.00000
23 -29.7252 1.00000
24 -29.7192 1.00000
25 -29.6947 1.00000
26 -29.6627 1.00000
27 -29.6627 1.00000
28 -29.6507 1.00000
29 -29.6507 1.00000
30 -29.6507 1.00000
31 -29.6266 1.00000
32 -29.6030 1.00000
33 -29.5969 1.00000
34 -29.5896 1.00000
35 -29.5840 1.00000
36 -29.5808 1.00000
37 -29.5776 1.00000
38 -29.5776 1.00000
39 -29.5737 1.00000
40 -29.5737 1.00000
41 -29.5729 1.00000
42 -29.5675 1.00000
43 -29.5558 1.00000
44 -29.5532 1.00000
45 -29.5532 1.00000
46 -29.5448 1.00000
47 -29.5448 1.00000
48 -29.5102 1.00000
49 -29.4965 1.00000
50 -29.4890 1.00000
51 -29.4890 1.00000
52 -29.4795 1.00000
53 -29.4788 1.00000
54 -29.4788 1.00000
55 -29.4761 1.00000
56 -29.4752 1.00000
57 -29.4623 1.00000
58 -29.4588 1.00000
59 -29.4573 1.00000
60 -29.4573 1.00000
61 -29.4350 1.00000
62 -29.4293 1.00000
63 -29.4293 1.00000
64 -29.4229 1.00000
65 -14.2694 1.00000
66 -13.9175 1.00000
67 -13.9175 1.00000
68 -13.8302 1.00000
69 -13.7546 1.00000
70 -13.7546 1.00000
71 -13.6997 1.00000
72 -13.4518 1.00000
73 -13.3250 1.00000
74 -13.2733 1.00000
75 -13.2541 1.00000
76 -13.2038 1.00000
77 -13.2038 1.00000
78 -13.1989 1.00000
79 -13.1746 1.00000
80 -13.1714 1.00000
81 -13.1714 1.00000
82 -13.1335 1.00000
83 -13.1335 1.00000
84 -13.1233 1.00000
85 -13.0531 1.00000
86 -13.0531 1.00000
87 -13.0193 1.00000
88 -12.9369 1.00000
89 -12.9270 1.00000
90 -12.9270 1.00000
91 -12.9217 1.00000
92 -12.8817 1.00000
93 -12.8635 1.00000
94 -12.8588 1.00000
95 -12.8588 1.00000
96 -12.7814 1.00000
97 -1.4841 1.00000
98 -1.4660 1.00000
99 -1.4660 1.00000
100 -1.4224 1.00000
101 -1.4050 1.00000
102 -1.3620 1.00000
103 -1.3620 1.00000
104 -1.2259 1.00000
105 -0.9452 1.00000
106 -0.9272 1.00000
107 -0.8948 1.00000
108 -0.8605 1.00000
109 -0.8229 1.00000
110 -0.8229 1.00000
111 -0.8209 1.00000
112 -0.8209 1.00000
113 -0.8058 1.00000
114 -0.8058 1.00000
115 -0.7995 1.00000
116 -0.7393 1.00000
117 -0.5253 1.00000
118 -0.4858 1.00000
119 -0.4858 1.00000
120 -0.4573 1.00000
121 -0.3695 1.00000
122 -0.3695 1.00000
123 -0.3566 1.00000
124 -0.3422 1.00000
125 -0.3089 1.00000
126 -0.2101 1.00000
127 -0.2020 1.00000
128 -0.2020 1.00000
129 -0.1452 1.00000
130 -0.1448 1.00000
131 -0.0883 1.00000
132 -0.0841 1.00000
133 0.0832 1.00000
134 0.0832 1.00000
135 0.1100 1.00000
136 0.1100 1.00000
137 0.2381 1.00000
138 0.3144 1.00000
139 0.3144 1.00000
140 0.3846 1.00000
141 0.4397 1.00000
142 0.4569 1.00000
143 0.6996 1.00000
144 0.6996 1.00000
145 0.8026 1.00000
146 0.8026 1.00000
147 0.8391 1.00000
148 0.8522 1.00000
149 0.9412 1.00000
150 1.0046 1.00000
151 1.0046 1.00000
152 1.0329 1.00000
153 1.1052 1.00000
154 1.1052 1.00000
155 1.2344 1.00000
156 1.3254 1.00000
157 1.3655 1.00000
158 1.3655 1.00000
159 1.3999 1.00000
160 1.5828 1.00000
161 1.6070 1.00000
162 1.6370 1.00000
163 1.8333 1.00000
164 1.8333 1.00000
165 1.9392 1.00000
166 1.9392 1.00000
167 1.9762 1.00000
168 1.9912 1.00000
169 2.0149 1.00000
170 2.0356 1.00000
171 2.0356 1.00000
172 2.1050 1.00000
173 2.1050 1.00000
174 2.1090 1.00000
175 2.1106 1.00000
176 2.2104 1.00000
177 2.3803 1.00000
178 2.3803 1.00000
179 2.4304 1.00000
180 2.4712 1.00000
181 2.4712 1.00000
182 2.5411 1.00000
183 2.5411 1.00000
184 2.6121 1.00000
185 2.6265 1.00000
186 2.6265 1.00000
187 2.6685 1.00000
188 2.7220 1.00000
189 2.8599 1.00000
190 2.9558 1.00000
191 3.0235 1.00000
192 3.0951 1.00000
193 5.8026 0.00000
194 5.8638 0.00000
195 5.8932 0.00000
196 5.9675 0.00000
197 6.1304 0.00000
198 6.1364 0.00000
199 6.1364 0.00000
200 6.1639 0.00000
201 6.1639 0.00000
202 6.2556 0.00000
203 6.2842 0.00000
204 6.2842 0.00000
205 6.2962 0.00000
206 6.3306 0.00000
207 6.3306 0.00000
208 6.4655 0.00000
209 6.4759 0.00000
210 6.4822 0.00000
211 6.5660 0.00000
212 6.5660 0.00000
213 6.5824 0.00000
214 6.5825 0.00000
215 6.5825 0.00000
216 6.6078 0.00000
217 6.6478 0.00000
218 6.6661 0.00000
219 6.6661 0.00000
220 6.6953 0.00000
221 6.7335 0.00000
222 6.7335 0.00000
223 6.7737 0.00000
224 6.8224 0.00000
225 6.8268 0.00000
226 6.8857 0.00000
227 6.8889 0.00000
228 6.9948 0.00000
229 6.9948 0.00000
230 7.0062 0.00000
231 7.1439 0.00000
232 7.1439 0.00000
233 7.2652 0.00000
234 7.2652 0.00000
235 7.3921 0.00000
236 7.3921 0.00000
237 7.5348 0.00000
238 7.6102 0.00000
239 7.6108 0.00000
240 7.7253 0.00000
241 8.3557 0.00000
242 8.3650 0.00000
243 8.5036 0.00000
244 8.5441 0.00000
245 8.5441 0.00000
246 8.5630 0.00000
247 8.5630 0.00000
248 8.7724 0.00000
249 8.8943 0.00000
250 9.0057 0.00000
251 9.0833 0.00000
252 9.0833 0.00000
253 9.1361 0.00000
254 9.1814 0.00000
255 9.2565 0.00000
256 9.3087 0.00000
k-point 5 : 0.4167 0.2500 0.0833
band No. band energies occupation
1 -53.3452 1.00000
2 -53.3423 1.00000
3 -53.3369 1.00000
4 -53.3340 1.00000
5 -53.3276 1.00000
6 -53.3275 1.00000
7 -53.3267 1.00000
8 -53.3247 1.00000
9 -53.3201 1.00000
10 -53.3181 1.00000
11 -53.3181 1.00000
12 -53.3163 1.00000
13 -53.3088 1.00000
14 -53.3069 1.00000
15 -53.3033 1.00000
16 -53.3015 1.00000
17 -29.7711 1.00000
18 -29.7692 1.00000
19 -29.7642 1.00000
20 -29.7620 1.00000
21 -29.7247 1.00000
22 -29.7243 1.00000
23 -29.6999 1.00000
24 -29.6991 1.00000
25 -29.6787 1.00000
26 -29.6770 1.00000
27 -29.6712 1.00000
28 -29.6610 1.00000
29 -29.6525 1.00000
30 -29.6410 1.00000
31 -29.6295 1.00000
32 -29.6048 1.00000
33 -29.5975 1.00000
34 -29.5923 1.00000
35 -29.5871 1.00000
36 -29.5859 1.00000
37 -29.5790 1.00000
38 -29.5767 1.00000
39 -29.5743 1.00000
40 -29.5722 1.00000
41 -29.5706 1.00000
42 -29.5687 1.00000
43 -29.5652 1.00000
44 -29.5553 1.00000
45 -29.5539 1.00000
46 -29.5530 1.00000
47 -29.5345 1.00000
48 -29.5216 1.00000
49 -29.4953 1.00000
50 -29.4925 1.00000
51 -29.4885 1.00000
52 -29.4851 1.00000
53 -29.4769 1.00000
54 -29.4760 1.00000
55 -29.4754 1.00000
56 -29.4722 1.00000
57 -29.4692 1.00000
58 -29.4660 1.00000
59 -29.4567 1.00000
60 -29.4560 1.00000
61 -29.4302 1.00000
62 -29.4284 1.00000
63 -29.4239 1.00000
64 -29.4219 1.00000
65 -14.1597 1.00000
66 -14.0324 1.00000
67 -13.7794 1.00000
68 -13.7738 1.00000
69 -13.7525 1.00000
70 -13.6110 1.00000
71 -13.6053 1.00000
72 -13.5877 1.00000
73 -13.4186 1.00000
74 -13.4040 1.00000
75 -13.2669 1.00000
76 -13.2229 1.00000
77 -13.2113 1.00000
78 -13.2039 1.00000
79 -13.2007 1.00000
80 -13.1505 1.00000
81 -13.1464 1.00000
82 -13.1399 1.00000
83 -13.1047 1.00000
84 -13.0658 1.00000
85 -13.0477 1.00000
86 -13.0445 1.00000
87 -13.0282 1.00000
88 -12.9887 1.00000
89 -12.9858 1.00000
90 -12.9470 1.00000
91 -12.9144 1.00000
92 -12.8952 1.00000
93 -12.8939 1.00000
94 -12.8643 1.00000
95 -12.8362 1.00000
96 -12.8041 1.00000
97 -1.4647 1.00000
98 -1.4514 1.00000
99 -1.4342 1.00000
100 -1.4033 1.00000
101 -1.3965 1.00000
102 -1.3516 1.00000
103 -1.3342 1.00000
104 -1.1962 1.00000
105 -1.1826 1.00000
106 -1.1519 1.00000
107 -1.1308 1.00000
108 -1.0570 1.00000
109 -0.9035 1.00000
110 -0.8587 1.00000
111 -0.8561 1.00000
112 -0.8349 1.00000
113 -0.8263 1.00000
114 -0.8182 1.00000
115 -0.7799 1.00000
116 -0.7575 1.00000
117 -0.4658 1.00000
118 -0.4658 1.00000
119 -0.4070 1.00000
120 -0.3585 1.00000
121 -0.3133 1.00000
122 -0.2587 1.00000
123 -0.2559 1.00000
124 -0.2483 1.00000
125 -0.1979 1.00000
126 -0.1790 1.00000
127 -0.1666 1.00000
128 -0.1191 1.00000
129 -0.0913 1.00000
130 0.0613 1.00000
131 0.1223 1.00000
132 0.1481 1.00000
133 0.1530 1.00000
134 0.1706 1.00000
135 0.2506 1.00000
136 0.3582 1.00000
137 0.3784 1.00000
138 0.4179 1.00000
139 0.4263 1.00000
140 0.5007 1.00000
141 0.5042 1.00000
142 0.5380 1.00000
143 0.5414 1.00000
144 0.6221 1.00000
145 0.6348 1.00000
146 0.6505 1.00000
147 0.6783 1.00000
148 0.7415 1.00000
149 0.8264 1.00000
150 0.8298 1.00000
151 1.0851 1.00000
152 1.1321 1.00000
153 1.1494 1.00000
154 1.1495 1.00000
155 1.1677 1.00000
156 1.2244 1.00000
157 1.2828 1.00000
158 1.3331 1.00000
159 1.3617 1.00000
160 1.4242 1.00000
161 1.4976 1.00000
162 1.5310 1.00000
163 1.6016 1.00000
164 1.6696 1.00000
165 1.7711 1.00000
166 1.7868 1.00000
167 1.8735 1.00000
168 2.0208 1.00000
169 2.0340 1.00000
170 2.0579 1.00000
171 2.1000 1.00000
172 2.1079 1.00000
173 2.1185 1.00000
174 2.2498 1.00000
175 2.2794 1.00000
176 2.2915 1.00000
177 2.4232 1.00000
178 2.4507 1.00000
179 2.4687 1.00000
180 2.4844 1.00000
181 2.5048 1.00000
182 2.5355 1.00000
183 2.5846 1.00000
184 2.6269 1.00000
185 2.6640 1.00000
186 2.7611 1.00000
187 2.7634 1.00000
188 2.8389 1.00000
189 2.8398 1.00000
190 2.8641 1.00000
191 2.9449 1.00000
192 3.0074 1.00000
193 5.9472 0.00000
194 6.0025 0.00000
195 6.0485 0.00000
196 6.0624 0.00000
197 6.0662 0.00000
198 6.0743 0.00000
199 6.1335 0.00000
200 6.1569 0.00000
201 6.1599 0.00000
202 6.1936 0.00000
203 6.2104 0.00000
204 6.2366 0.00000
205 6.2467 0.00000
206 6.2473 0.00000
207 6.2606 0.00000
208 6.2938 0.00000
209 6.3064 0.00000
210 6.4903 0.00000
211 6.5121 0.00000
212 6.5198 0.00000
213 6.5232 0.00000
214 6.5603 0.00000
215 6.5632 0.00000
216 6.5757 0.00000
217 6.6057 0.00000
218 6.6200 0.00000
219 6.6694 0.00000
220 6.6696 0.00000
221 6.6715 0.00000
222 6.6971 0.00000
223 6.7032 0.00000
224 6.7545 0.00000
225 6.7659 0.00000
226 6.7710 0.00000
227 6.7915 0.00000
228 6.8446 0.00000
229 7.0108 0.00000
230 7.1014 0.00000
231 7.1075 0.00000
232 7.1520 0.00000
233 7.2452 0.00000
234 7.2634 0.00000
235 7.2774 0.00000
236 7.3172 0.00000
237 7.4037 0.00000
238 7.4522 0.00000
239 7.4527 0.00000
240 7.5896 0.00000
241 8.4272 0.00000
242 8.4552 0.00000
243 8.4836 0.00000
244 8.5122 0.00000
245 8.7279 0.00000
246 8.7357 0.00000
247 8.8029 0.00000
248 8.8713 0.00000
249 8.9111 0.00000
250 8.9814 0.00000
251 9.0846 0.00000
252 9.1358 0.00000
253 9.1856 0.00000
254 9.1911 0.00000
255 9.2709 0.00000
256 9.3270 0.00000
k-point 6 : 0.4167 0.4167 0.0833
band No. band energies occupation
1 -53.3430 1.00000
2 -53.3402 1.00000
3 -53.3402 1.00000
4 -53.3373 1.00000
5 -53.3257 1.00000
6 -53.3257 1.00000
7 -53.3256 1.00000
8 -53.3239 1.00000
9 -53.3203 1.00000
10 -53.3198 1.00000
11 -53.3191 1.00000
12 -53.3191 1.00000
13 -53.3063 1.00000
14 -53.3045 1.00000
15 -53.3045 1.00000
16 -53.3027 1.00000
17 -29.7697 1.00000
18 -29.7677 1.00000
19 -29.7677 1.00000
20 -29.7656 1.00000
21 -29.7052 1.00000
22 -29.7002 1.00000
23 -29.7002 1.00000
24 -29.6941 1.00000
25 -29.6785 1.00000
26 -29.6728 1.00000
27 -29.6728 1.00000
28 -29.6618 1.00000
29 -29.6581 1.00000
30 -29.6405 1.00000
31 -29.6405 1.00000
32 -29.6190 1.00000
33 -29.5934 1.00000
34 -29.5860 1.00000
35 -29.5847 1.00000
36 -29.5847 1.00000
37 -29.5810 1.00000
38 -29.5810 1.00000
39 -29.5800 1.00000
40 -29.5759 1.00000
41 -29.5739 1.00000
42 -29.5636 1.00000
43 -29.5636 1.00000
44 -29.5597 1.00000
45 -29.5572 1.00000
46 -29.5445 1.00000
47 -29.5445 1.00000
48 -29.5318 1.00000
49 -29.4952 1.00000
50 -29.4926 1.00000
51 -29.4926 1.00000
52 -29.4899 1.00000
53 -29.4734 1.00000
54 -29.4731 1.00000
55 -29.4731 1.00000
56 -29.4704 1.00000
57 -29.4680 1.00000
58 -29.4647 1.00000
59 -29.4647 1.00000
60 -29.4637 1.00000
61 -29.4251 1.00000
62 -29.4231 1.00000
63 -29.4231 1.00000
64 -29.4211 1.00000
65 -14.0419 1.00000
66 -13.9042 1.00000
67 -13.9042 1.00000
68 -13.7514 1.00000
69 -13.6547 1.00000
70 -13.6047 1.00000
71 -13.6047 1.00000
72 -13.5403 1.00000
73 -13.4445 1.00000
74 -13.3891 1.00000
75 -13.3891 1.00000
76 -13.3556 1.00000
77 -13.2045 1.00000
78 -13.1797 1.00000
79 -13.1456 1.00000
80 -13.1456 1.00000
81 -13.1124 1.00000
82 -13.1124 1.00000
83 -13.0878 1.00000
84 -13.0862 1.00000
85 -13.0611 1.00000
86 -13.0611 1.00000
87 -13.0577 1.00000
88 -13.0439 1.00000
89 -12.9813 1.00000
90 -12.9746 1.00000
91 -12.9746 1.00000
92 -12.9490 1.00000
93 -12.8695 1.00000
94 -12.8422 1.00000
95 -12.8422 1.00000
96 -12.8152 1.00000
97 -1.4484 1.00000
98 -1.3889 1.00000
99 -1.3889 1.00000
100 -1.3863 1.00000
101 -1.3731 1.00000
102 -1.3731 1.00000
103 -1.3527 1.00000
104 -1.2347 1.00000
105 -1.1849 1.00000
106 -1.1737 1.00000
107 -1.1449 1.00000
108 -1.1446 1.00000
109 -1.1446 1.00000
110 -1.0523 1.00000
111 -1.0523 1.00000
112 -1.0050 1.00000
113 -0.8557 1.00000
114 -0.8132 1.00000
115 -0.8132 1.00000
116 -0.7819 1.00000
117 -0.3425 1.00000
118 -0.3425 1.00000
119 -0.2964 1.00000
120 -0.2690 1.00000
121 -0.2606 1.00000
122 -0.2284 1.00000
123 -0.1222 1.00000
124 -0.1222 1.00000
125 -0.1170 1.00000
126 -0.0697 1.00000
127 -0.0697 1.00000
128 0.0560 1.00000
129 0.1661 1.00000
130 0.2322 1.00000
131 0.2820 1.00000
132 0.2820 1.00000
133 0.3130 1.00000
134 0.3130 1.00000
135 0.3513 1.00000
136 0.3905 1.00000
137 0.4629 1.00000
138 0.4824 1.00000
139 0.4824 1.00000
140 0.5093 1.00000
141 0.5144 1.00000
142 0.5249 1.00000
143 0.5267 1.00000
144 0.5366 1.00000
145 0.5366 1.00000
146 0.6103 1.00000
147 0.6103 1.00000
148 0.6419 1.00000
149 0.8238 1.00000
150 0.8777 1.00000
151 0.8777 1.00000
152 0.9582 1.00000
153 1.1377 1.00000
154 1.1723 1.00000
155 1.1723 1.00000
156 1.1846 1.00000
157 1.1931 1.00000
158 1.2930 1.00000
159 1.3116 1.00000
160 1.3116 1.00000
161 1.3556 1.00000
162 1.3556 1.00000
163 1.4643 1.00000
164 1.4875 1.00000
165 1.7267 1.00000
166 1.8203 1.00000
167 1.8203 1.00000
168 1.8918 1.00000
169 2.0447 1.00000
170 2.0524 1.00000
171 2.0855 1.00000
172 2.0855 1.00000
173 2.1665 1.00000
174 2.1665 1.00000
175 2.1689 1.00000
176 2.3665 1.00000
177 2.4418 1.00000
178 2.5300 1.00000
179 2.5300 1.00000
180 2.5472 1.00000
181 2.5598 1.00000
182 2.6441 1.00000
183 2.6441 1.00000
184 2.6831 1.00000
185 2.7703 1.00000
186 2.7703 1.00000
187 2.7851 1.00000
188 2.8865 1.00000
189 2.8865 1.00000
190 2.8942 1.00000
191 2.9210 1.00000
192 2.9680 1.00000
193 5.9871 0.00000
194 6.0117 0.00000
195 6.0117 0.00000
196 6.0230 0.00000
197 6.0719 0.00000
198 6.1052 0.00000
199 6.1052 0.00000
200 6.1219 0.00000
201 6.1461 0.00000
202 6.1817 0.00000
203 6.1828 0.00000
204 6.1828 0.00000
205 6.1843 0.00000
206 6.1843 0.00000
207 6.2162 0.00000
208 6.2174 0.00000
209 6.4180 0.00000
210 6.5061 0.00000
211 6.5152 0.00000
212 6.5152 0.00000
213 6.5165 0.00000
214 6.5337 0.00000
215 6.5439 0.00000
216 6.5439 0.00000
217 6.5513 0.00000
218 6.5781 0.00000
219 6.5781 0.00000
220 6.5818 0.00000
221 6.6519 0.00000
222 6.7155 0.00000
223 6.7155 0.00000
224 6.7185 0.00000
225 6.7484 0.00000
226 6.8307 0.00000
227 6.8307 0.00000
228 6.8576 0.00000
229 6.8794 0.00000
230 7.0238 0.00000
231 7.0238 0.00000
232 7.0741 0.00000
233 7.0782 0.00000
234 7.0782 0.00000
235 7.1584 0.00000
236 7.2255 0.00000
237 7.2348 0.00000
238 7.3109 0.00000
239 7.3109 0.00000
240 7.4509 0.00000
241 8.5544 0.00000
242 8.6437 0.00000
243 8.6437 0.00000
244 8.6609 0.00000
245 8.7493 0.00000
246 8.7493 0.00000
247 8.7625 0.00000
248 8.8324 0.00000
249 8.8961 0.00000
250 8.9726 0.00000
251 8.9727 0.00000
252 9.0581 0.00000
253 9.3977 0.00000
254 9.4913 0.00000
255 9.5951 0.00000
256 9.6575 0.00000
k-point 7 : 0.0833 0.0833 0.2500
band No. band energies occupation
1 -53.3478 1.00000
2 -53.3363 1.00000
3 -53.3363 1.00000
4 -53.3341 1.00000
5 -53.3339 1.00000
6 -53.3339 1.00000
7 -53.3235 1.00000
8 -53.3217 1.00000
9 -53.3191 1.00000
10 -53.3173 1.00000
11 -53.3146 1.00000
12 -53.3108 1.00000
13 -53.3108 1.00000
14 -53.3084 1.00000
15 -53.3084 1.00000
16 -53.3008 1.00000
17 -29.7626 1.00000
18 -29.7554 1.00000
19 -29.7554 1.00000
20 -29.7450 1.00000
21 -29.7450 1.00000
22 -29.7445 1.00000
23 -29.7378 1.00000
24 -29.7315 1.00000
25 -29.7256 1.00000
26 -29.6714 1.00000
27 -29.6685 1.00000
28 -29.6685 1.00000
29 -29.6656 1.00000
30 -29.6656 1.00000
31 -29.6055 1.00000
32 -29.6048 1.00000
33 -29.5981 1.00000
34 -29.5972 1.00000
35 -29.5821 1.00000
36 -29.5767 1.00000
37 -29.5682 1.00000
38 -29.5682 1.00000
39 -29.5664 1.00000
40 -29.5664 1.00000
41 -29.5655 1.00000
42 -29.5633 1.00000
43 -29.5394 1.00000
44 -29.5394 1.00000
45 -29.5389 1.00000
46 -29.5389 1.00000
47 -29.5337 1.00000
48 -29.4945 1.00000
49 -29.4929 1.00000
50 -29.4846 1.00000
51 -29.4846 1.00000
52 -29.4825 1.00000
53 -29.4825 1.00000
54 -29.4785 1.00000
55 -29.4782 1.00000
56 -29.4643 1.00000
57 -29.4597 1.00000
58 -29.4554 1.00000
59 -29.4505 1.00000
60 -29.4505 1.00000
61 -29.4502 1.00000
62 -29.4428 1.00000
63 -29.4428 1.00000
64 -29.4386 1.00000
65 -14.3568 1.00000
66 -14.0642 1.00000
67 -13.9054 1.00000
68 -13.9054 1.00000
69 -13.8678 1.00000
70 -13.8678 1.00000
71 -13.6596 1.00000
72 -13.4073 1.00000
73 -13.3387 1.00000
74 -13.2710 1.00000
75 -13.1965 1.00000
76 -13.1915 1.00000
77 -13.1915 1.00000
78 -13.1840 1.00000
79 -13.1840 1.00000
80 -13.1533 1.00000
81 -13.1107 1.00000
82 -13.0990 1.00000
83 -13.0575 1.00000
84 -13.0347 1.00000
85 -13.0347 1.00000
86 -12.9928 1.00000
87 -12.9928 1.00000
88 -12.9718 1.00000
89 -12.9186 1.00000
90 -12.9186 1.00000
91 -12.9107 1.00000
92 -12.9107 1.00000
93 -12.8385 1.00000
94 -12.8237 1.00000
95 -12.8074 1.00000
96 -12.7900 1.00000
97 -1.3312 1.00000
98 -1.3312 1.00000
99 -1.2893 1.00000
100 -1.2512 1.00000
101 -1.2379 1.00000
102 -1.2248 1.00000
103 -1.2248 1.00000
104 -1.1468 1.00000
105 -0.9796 1.00000
106 -0.9787 1.00000
107 -0.9787 1.00000
108 -0.9103 1.00000
109 -0.8208 1.00000
110 -0.8186 1.00000
111 -0.8186 1.00000
112 -0.7853 1.00000
113 -0.6784 1.00000
114 -0.6705 1.00000
115 -0.6474 1.00000
116 -0.6440 1.00000
117 -0.6127 1.00000
118 -0.5648 1.00000
119 -0.5648 1.00000
120 -0.5538 1.00000
121 -0.5538 1.00000
122 -0.5463 1.00000
123 -0.5463 1.00000
124 -0.5321 1.00000
125 -0.5078 1.00000
126 -0.5078 1.00000
127 -0.5022 1.00000
128 -0.4827 1.00000
129 -0.4710 1.00000
130 -0.4646 1.00000
131 -0.4363 1.00000
132 -0.2961 1.00000
133 -0.0337 1.00000
134 -0.0337 1.00000
135 -0.0281 1.00000
136 -0.0281 1.00000
137 0.2628 1.00000
138 0.3076 1.00000
139 0.4443 1.00000
140 0.4812 1.00000
141 0.6802 1.00000
142 0.6802 1.00000
143 0.9083 1.00000
144 0.9083 1.00000
145 0.9923 1.00000
146 0.9923 1.00000
147 1.0389 1.00000
148 1.0389 1.00000
149 1.1016 1.00000
150 1.1028 1.00000
151 1.1501 1.00000
152 1.1585 1.00000
153 1.1896 1.00000
154 1.1896 1.00000
155 1.2268 1.00000
156 1.2527 1.00000
157 1.2527 1.00000
158 1.2983 1.00000
159 1.3188 1.00000
160 1.5168 1.00000
161 1.5977 1.00000
162 1.6154 1.00000
163 1.6154 1.00000
164 1.7237 1.00000
165 1.7237 1.00000
166 1.7670 1.00000
167 1.8773 1.00000
168 1.8992 1.00000
169 1.9854 1.00000
170 2.1819 1.00000
171 2.1918 1.00000
172 2.2260 1.00000
173 2.2260 1.00000
174 2.2346 1.00000
175 2.2346 1.00000
176 2.2661 1.00000
177 2.2661 1.00000
178 2.2764 1.00000
179 2.2764 1.00000
180 2.3188 1.00000
181 2.4178 1.00000
182 2.4178 1.00000
183 2.4216 1.00000
184 2.4216 1.00000
185 2.7083 1.00000
186 2.7893 1.00000
187 2.9243 1.00000
188 2.9309 1.00000
189 2.9542 1.00000
190 2.9613 1.00000
191 3.0231 1.00000
192 3.0438 1.00000
193 5.3176 0.00000
194 5.4732 0.00000
195 5.7077 0.00000
196 5.8786 0.00000
197 6.2863 0.00000
198 6.2863 0.00000
199 6.2959 0.00000
200 6.2959 0.00000
201 6.3397 0.00000
202 6.3786 0.00000
203 6.4153 0.00000
204 6.4602 0.00000
205 6.4728 0.00000
206 6.4728 0.00000
207 6.4862 0.00000
208 6.4862 0.00000
209 6.5986 0.00000
210 6.5986 0.00000
211 6.6060 0.00000
212 6.6060 0.00000
213 6.6630 0.00000
214 6.6630 0.00000
215 6.6656 0.00000
216 6.6857 0.00000
217 6.6857 0.00000
218 6.6941 0.00000
219 6.7494 0.00000
220 6.7646 0.00000
221 6.7707 0.00000
222 6.7709 0.00000
223 6.8778 0.00000
224 6.8981 0.00000
225 7.0970 0.00000
226 7.0973 0.00000
227 7.2035 0.00000
228 7.2052 0.00000
229 7.2577 0.00000
230 7.2577 0.00000
231 7.2983 0.00000
232 7.2983 0.00000
233 7.4400 0.00000
234 7.4400 0.00000
235 7.4555 0.00000
236 7.4555 0.00000
237 7.8154 0.00000
238 7.8348 0.00000
239 7.8368 0.00000
240 7.8600 0.00000
241 7.8991 0.00000
242 8.0149 0.00000
243 8.1447 0.00000
244 8.3168 0.00000
245 8.3435 0.00000
246 8.3541 0.00000
247 8.3541 0.00000
248 8.3744 0.00000
249 8.3744 0.00000
250 8.6061 0.00000
251 9.0540 0.00000
252 9.0545 0.00000
253 9.0788 0.00000
254 9.0813 0.00000
255 9.1469 0.00000
256 9.3033 0.00000
k-point 8 : 0.2500 0.0833 0.2500
band No. band energies occupation
1 -53.3467 1.00000
2 -53.3392 1.00000
3 -53.3352 1.00000
4 -53.3335 1.00000
5 -53.3328 1.00000
6 -53.3325 1.00000
7 -53.3269 1.00000
8 -53.3246 1.00000
9 -53.3168 1.00000
10 -53.3146 1.00000
11 -53.3145 1.00000
12 -53.3128 1.00000
13 -53.3114 1.00000
14 -53.3090 1.00000
15 -53.3061 1.00000
16 -53.3013 1.00000
17 -29.7623 1.00000
18 -29.7603 1.00000
19 -29.7548 1.00000
20 -29.7498 1.00000
21 -29.7445 1.00000
22 -29.7409 1.00000
23 -29.7287 1.00000
24 -29.7179 1.00000
25 -29.7112 1.00000
26 -29.6776 1.00000
27 -29.6733 1.00000
28 -29.6698 1.00000
29 -29.6610 1.00000
30 -29.6522 1.00000
31 -29.6054 1.00000
32 -29.6046 1.00000
33 -29.5999 1.00000
34 -29.5890 1.00000
35 -29.5876 1.00000
36 -29.5801 1.00000
37 -29.5778 1.00000
38 -29.5764 1.00000
39 -29.5761 1.00000
40 -29.5704 1.00000
41 -29.5650 1.00000
42 -29.5637 1.00000
43 -29.5466 1.00000
44 -29.5457 1.00000
45 -29.5372 1.00000
46 -29.5344 1.00000
47 -29.5297 1.00000
48 -29.5017 1.00000
49 -29.4923 1.00000
50 -29.4868 1.00000
51 -29.4843 1.00000
52 -29.4816 1.00000
53 -29.4809 1.00000
54 -29.4786 1.00000
55 -29.4767 1.00000
56 -29.4714 1.00000
57 -29.4663 1.00000
58 -29.4585 1.00000
59 -29.4508 1.00000
60 -29.4484 1.00000
61 -29.4441 1.00000
62 -29.4408 1.00000
63 -29.4366 1.00000
64 -29.4355 1.00000
65 -14.2969 1.00000
66 -14.0142 1.00000
67 -13.9762 1.00000
68 -13.8616 1.00000
69 -13.8253 1.00000
70 -13.7866 1.00000
71 -13.6143 1.00000
72 -13.3695 1.00000
73 -13.3258 1.00000
74 -13.3137 1.00000
75 -13.2756 1.00000
76 -13.2480 1.00000
77 -13.2119 1.00000
78 -13.1981 1.00000
79 -13.1789 1.00000
80 -13.1478 1.00000
81 -13.1408 1.00000
82 -13.0877 1.00000
83 -13.0833 1.00000
84 -13.0803 1.00000
85 -13.0362 1.00000
86 -13.0217 1.00000
87 -12.9812 1.00000
88 -12.9548 1.00000
89 -12.9220 1.00000
90 -12.9114 1.00000
91 -12.9016 1.00000
92 -12.8777 1.00000
93 -12.8754 1.00000
94 -12.8572 1.00000
95 -12.8266 1.00000
96 -12.7979 1.00000
97 -1.4630 1.00000
98 -1.4085 1.00000
99 -1.3919 1.00000
100 -1.3756 1.00000
101 -1.3238 1.00000
102 -1.2617 1.00000
103 -1.2304 1.00000
104 -1.1680 1.00000
105 -0.9761 1.00000
106 -0.9668 1.00000
107 -0.8926 1.00000
108 -0.8784 1.00000
109 -0.8641 1.00000
110 -0.8309 1.00000
111 -0.7953 1.00000
112 -0.7529 1.00000
113 -0.7247 1.00000
114 -0.6821 1.00000
115 -0.6457 1.00000
116 -0.6340 1.00000
117 -0.6119 1.00000
118 -0.5908 1.00000
119 -0.5841 1.00000
120 -0.5613 1.00000
121 -0.5445 1.00000
122 -0.5014 1.00000
123 -0.4892 1.00000
124 -0.4385 1.00000
125 -0.4138 1.00000
126 -0.4038 1.00000
127 -0.3849 1.00000
128 -0.3290 1.00000
129 -0.2747 1.00000
130 -0.2706 1.00000
131 -0.1493 1.00000
132 -0.1402 1.00000
133 -0.0415 1.00000
134 -0.0358 1.00000
135 -0.0333 1.00000
136 0.0143 1.00000
137 0.1336 1.00000
138 0.2075 1.00000
139 0.5103 1.00000
140 0.5539 1.00000
141 0.5585 1.00000
142 0.5845 1.00000
143 0.7380 1.00000
144 0.8171 1.00000
145 0.8702 1.00000
146 0.9399 1.00000
147 0.9589 1.00000
148 1.0017 1.00000
149 1.0027 1.00000
150 1.0532 1.00000
151 1.1076 1.00000
152 1.1431 1.00000
153 1.1480 1.00000
154 1.1540 1.00000
155 1.1603 1.00000
156 1.2129 1.00000
157 1.3387 1.00000
158 1.3749 1.00000
159 1.4262 1.00000
160 1.5406 1.00000
161 1.6535 1.00000
162 1.7734 1.00000
163 1.7986 1.00000
164 1.8177 1.00000
165 1.8440 1.00000
166 1.8699 1.00000
167 1.8749 1.00000
168 1.8902 1.00000
169 1.9304 1.00000
170 1.9491 1.00000
171 1.9663 1.00000
172 2.1433 1.00000
173 2.2079 1.00000
174 2.2351 1.00000
175 2.2695 1.00000
176 2.3039 1.00000
177 2.3369 1.00000
178 2.3867 1.00000
179 2.4566 1.00000
180 2.4713 1.00000
181 2.4943 1.00000
182 2.5012 1.00000
183 2.5056 1.00000
184 2.5156 1.00000
185 2.5329 1.00000
186 2.7383 1.00000
187 2.7514 1.00000
188 2.7982 1.00000
189 2.7985 1.00000
190 2.8593 1.00000
191 3.0238 1.00000
192 3.0374 1.00000
193 5.5856 0.00000
194 5.6448 0.00000
195 5.8749 0.00000
196 5.9444 0.00000
197 6.1602 0.00000
198 6.2065 0.00000
199 6.2100 0.00000
200 6.2406 0.00000
201 6.2552 0.00000
202 6.2829 0.00000
203 6.2956 0.00000
204 6.3246 0.00000
205 6.4100 0.00000
206 6.4321 0.00000
207 6.4421 0.00000
208 6.4556 0.00000
209 6.5751 0.00000
210 6.5841 0.00000
211 6.5868 0.00000
212 6.6099 0.00000
213 6.6151 0.00000
214 6.6188 0.00000
215 6.6212 0.00000
216 6.6235 0.00000
217 6.6247 0.00000
218 6.6652 0.00000
219 6.7394 0.00000
220 6.7426 0.00000
221 6.7505 0.00000
222 6.7559 0.00000
223 6.7740 0.00000
224 6.7946 0.00000
225 6.8189 0.00000
226 6.9175 0.00000
227 7.0454 0.00000
228 7.0849 0.00000
229 7.1471 0.00000
230 7.2181 0.00000
231 7.2526 0.00000
232 7.2890 0.00000
233 7.3553 0.00000
234 7.4190 0.00000
235 7.4390 0.00000
236 7.4513 0.00000
237 7.6852 0.00000
238 7.7037 0.00000
239 7.7500 0.00000
240 7.7796 0.00000
241 8.0291 0.00000
242 8.1430 0.00000
243 8.2813 0.00000
244 8.3340 0.00000
245 8.4674 0.00000
246 8.5193 0.00000
247 8.5832 0.00000
248 8.5838 0.00000
249 8.6651 0.00000
250 8.7819 0.00000
251 8.9979 0.00000
252 9.0446 0.00000
253 9.1188 0.00000
254 9.1503 0.00000
255 9.1668 0.00000
256 9.3486 0.00000
k-point 9 : 0.4167 0.0833 0.2500
band No. band energies occupation
1 -53.3448 1.00000
2 -53.3421 1.00000
3 -53.3330 1.00000
4 -53.3327 1.00000
5 -53.3322 1.00000
6 -53.3307 1.00000
7 -53.3302 1.00000
8 -53.3278 1.00000
9 -53.3146 1.00000
10 -53.3144 1.00000
11 -53.3140 1.00000
12 -53.3126 1.00000
13 -53.3121 1.00000
14 -53.3102 1.00000
15 -53.3040 1.00000
16 -53.3024 1.00000
17 -29.7621 1.00000
18 -29.7618 1.00000
19 -29.7537 1.00000
20 -29.7523 1.00000
21 -29.7438 1.00000
22 -29.7428 1.00000
23 -29.7089 1.00000
24 -29.7000 1.00000
25 -29.6942 1.00000
26 -29.6905 1.00000
27 -29.6839 1.00000
28 -29.6793 1.00000
29 -29.6451 1.00000
30 -29.6303 1.00000
31 -29.6234 1.00000
32 -29.6042 1.00000
33 -29.6005 1.00000
34 -29.6002 1.00000
35 -29.5905 1.00000
36 -29.5900 1.00000
37 -29.5752 1.00000
38 -29.5746 1.00000
39 -29.5737 1.00000
40 -29.5726 1.00000
41 -29.5642 1.00000
42 -29.5639 1.00000
43 -29.5597 1.00000
44 -29.5584 1.00000
45 -29.5334 1.00000
46 -29.5299 1.00000
47 -29.5255 1.00000
48 -29.5135 1.00000
49 -29.4909 1.00000
50 -29.4889 1.00000
51 -29.4822 1.00000
52 -29.4797 1.00000
53 -29.4790 1.00000
54 -29.4786 1.00000
55 -29.4777 1.00000
56 -29.4733 1.00000
57 -29.4725 1.00000
58 -29.4661 1.00000
59 -29.4474 1.00000
60 -29.4468 1.00000
61 -29.4403 1.00000
62 -29.4393 1.00000
63 -29.4330 1.00000
64 -29.4328 1.00000
65 -14.1942 1.00000
66 -14.0778 1.00000
67 -13.9427 1.00000
68 -13.8866 1.00000
69 -13.6804 1.00000
70 -13.6393 1.00000
71 -13.5172 1.00000
72 -13.5005 1.00000
73 -13.4553 1.00000
74 -13.3676 1.00000
75 -13.3071 1.00000
76 -13.2651 1.00000
77 -13.2488 1.00000
78 -13.2185 1.00000
79 -13.1968 1.00000
80 -13.1863 1.00000
81 -13.0923 1.00000
82 -13.0868 1.00000
83 -13.0750 1.00000
84 -13.0462 1.00000
85 -13.0372 1.00000
86 -12.9776 1.00000
87 -12.9709 1.00000
88 -12.9547 1.00000
89 -12.9230 1.00000
90 -12.9165 1.00000
91 -12.9038 1.00000
92 -12.8968 1.00000
93 -12.8878 1.00000
94 -12.8799 1.00000
95 -12.8717 1.00000
96 -12.8393 1.00000
97 -1.4038 1.00000
98 -1.3764 1.00000
99 -1.3522 1.00000
100 -1.3397 1.00000
101 -1.3130 1.00000
102 -1.2724 1.00000
103 -1.2661 1.00000
104 -1.1880 1.00000
105 -1.1503 1.00000
106 -1.1469 1.00000
107 -1.1190 1.00000
108 -1.0524 1.00000
109 -0.9712 1.00000
110 -0.9705 1.00000
111 -0.8051 1.00000
112 -0.7946 1.00000
113 -0.6932 1.00000
114 -0.6878 1.00000
115 -0.6292 1.00000
116 -0.6073 1.00000
117 -0.5928 1.00000
118 -0.5757 1.00000
119 -0.5732 1.00000
120 -0.5497 1.00000
121 -0.5346 1.00000
122 -0.5034 1.00000
123 -0.4363 1.00000
124 -0.4179 1.00000
125 -0.3227 1.00000
126 -0.2575 1.00000
127 -0.2548 1.00000
128 -0.2205 1.00000
129 -0.1832 1.00000
130 -0.1221 1.00000
131 -0.0727 1.00000
132 -0.0462 1.00000
133 0.0623 1.00000
134 0.1532 1.00000
135 0.2490 1.00000
136 0.3762 1.00000
137 0.3808 1.00000
138 0.4140 1.00000
139 0.5101 1.00000
140 0.5169 1.00000
141 0.6047 1.00000
142 0.6382 1.00000
143 0.6952 1.00000
144 0.7035 1.00000
145 0.7037 1.00000
146 0.7396 1.00000
147 0.8108 1.00000
148 0.9838 1.00000
149 1.0075 1.00000
150 1.0379 1.00000
151 1.0468 1.00000
152 1.0700 1.00000
153 1.0860 1.00000
154 1.1103 1.00000
155 1.1600 1.00000
156 1.1839 1.00000
157 1.2883 1.00000
158 1.3194 1.00000
159 1.3224 1.00000
160 1.3914 1.00000
161 1.4577 1.00000
162 1.5993 1.00000
163 1.6208 1.00000
164 1.6712 1.00000
165 1.7773 1.00000
166 1.8275 1.00000
167 1.8328 1.00000
168 1.9552 1.00000
169 2.0579 1.00000
170 2.1492 1.00000
171 2.1618 1.00000
172 2.1887 1.00000
173 2.2617 1.00000
174 2.3212 1.00000
175 2.3516 1.00000
176 2.3686 1.00000
177 2.4226 1.00000
178 2.4401 1.00000
179 2.4560 1.00000
180 2.5054 1.00000
181 2.5233 1.00000
182 2.5420 1.00000
183 2.5608 1.00000
184 2.5978 1.00000
185 2.6249 1.00000
186 2.6250 1.00000
187 2.6976 1.00000
188 2.7046 1.00000
189 2.7713 1.00000
190 2.7737 1.00000
191 2.9491 1.00000
192 2.9528 1.00000
193 5.8196 0.00000
194 5.9207 0.00000
195 5.9935 0.00000
196 6.0914 0.00000
197 6.1146 0.00000
198 6.1352 0.00000
199 6.1648 0.00000
200 6.1690 0.00000
201 6.1970 0.00000
202 6.2104 0.00000
203 6.2370 0.00000
204 6.2572 0.00000
205 6.3153 0.00000
206 6.3281 0.00000
207 6.3403 0.00000
208 6.3591 0.00000
209 6.3908 0.00000
210 6.4455 0.00000
211 6.4689 0.00000
212 6.5232 0.00000
213 6.5510 0.00000
214 6.5891 0.00000
215 6.5949 0.00000
216 6.5955 0.00000
217 6.6121 0.00000
218 6.6194 0.00000
219 6.6230 0.00000
220 6.6456 0.00000
221 6.7479 0.00000
222 6.7520 0.00000
223 6.7536 0.00000
224 6.7662 0.00000
225 6.7674 0.00000
226 6.8105 0.00000
227 6.8971 0.00000
228 6.8988 0.00000
229 7.2386 0.00000
230 7.3027 0.00000
231 7.3261 0.00000
232 7.3434 0.00000
233 7.3514 0.00000
234 7.4038 0.00000
235 7.4401 0.00000
236 7.4881 0.00000
237 7.4905 0.00000
238 7.5106 0.00000
239 7.5984 0.00000
240 7.6355 0.00000
241 8.1093 0.00000
242 8.1917 0.00000
243 8.2048 0.00000
244 8.2665 0.00000
245 8.7560 0.00000
246 8.7709 0.00000
247 8.7889 0.00000
248 8.8011 0.00000
249 8.9067 0.00000
250 8.9158 0.00000
251 8.9381 0.00000
252 8.9539 0.00000
253 8.9746 0.00000
254 9.0064 0.00000
255 9.0457 0.00000
256 9.2650 0.00000
k-point 10 : 0.2500 0.2500 0.2500
band No. band energies occupation
1 -53.3457 1.00000
2 -53.3380 1.00000
3 -53.3380 1.00000
4 -53.3329 1.00000
5 -53.3314 1.00000
6 -53.3314 1.00000
7 -53.3300 1.00000
8 -53.3247 1.00000
9 -53.3172 1.00000
10 -53.3147 1.00000
11 -53.3133 1.00000
12 -53.3133 1.00000
13 -53.3119 1.00000
14 -53.3067 1.00000
15 -53.3067 1.00000
16 -53.3019 1.00000
17 -29.7621 1.00000
18 -29.7597 1.00000
19 -29.7597 1.00000
20 -29.7549 1.00000
21 -29.7326 1.00000
22 -29.7286 1.00000
23 -29.7286 1.00000
24 -29.7134 1.00000
25 -29.6975 1.00000
26 -29.6825 1.00000
27 -29.6669 1.00000
28 -29.6669 1.00000
29 -29.6562 1.00000
30 -29.6562 1.00000
31 -29.6124 1.00000
32 -29.6043 1.00000
33 -29.6027 1.00000
34 -29.5880 1.00000
35 -29.5830 1.00000
36 -29.5795 1.00000
37 -29.5791 1.00000
38 -29.5791 1.00000
39 -29.5790 1.00000
40 -29.5752 1.00000
41 -29.5752 1.00000
42 -29.5705 1.00000
43 -29.5443 1.00000
44 -29.5443 1.00000
45 -29.5406 1.00000
46 -29.5406 1.00000
47 -29.5301 1.00000
48 -29.5074 1.00000
49 -29.4932 1.00000
50 -29.4872 1.00000
51 -29.4872 1.00000
52 -29.4795 1.00000
53 -29.4795 1.00000
54 -29.4785 1.00000
55 -29.4774 1.00000
56 -29.4744 1.00000
57 -29.4659 1.00000
58 -29.4562 1.00000
59 -29.4562 1.00000
60 -29.4544 1.00000
61 -29.4380 1.00000
62 -29.4346 1.00000
63 -29.4346 1.00000
64 -29.4327 1.00000
65 -14.2346 1.00000
66 -13.9577 1.00000
67 -13.8989 1.00000
68 -13.8989 1.00000
69 -13.7808 1.00000
70 -13.7808 1.00000
71 -13.5755 1.00000
72 -13.4355 1.00000
73 -13.3310 1.00000
74 -13.3096 1.00000
75 -13.2896 1.00000
76 -13.2199 1.00000
77 -13.1815 1.00000
78 -13.1815 1.00000
79 -13.1683 1.00000
80 -13.1683 1.00000
81 -13.1474 1.00000
82 -13.1392 1.00000
83 -13.1392 1.00000
84 -13.0705 1.00000
85 -13.0705 1.00000
86 -13.0696 1.00000
87 -13.0360 1.00000
88 -12.9394 1.00000
89 -12.9299 1.00000
90 -12.9149 1.00000
91 -12.9149 1.00000
92 -12.8968 1.00000
93 -12.8654 1.00000
94 -12.8654 1.00000
95 -12.8431 1.00000
96 -12.7891 1.00000
97 -1.4700 1.00000
98 -1.4558 1.00000
99 -1.4558 1.00000
100 -1.4290 1.00000
101 -1.3817 1.00000
102 -1.3817 1.00000
103 -1.3743 1.00000
104 -1.2544 1.00000
105 -0.9310 1.00000
106 -0.9225 1.00000
107 -0.8505 1.00000
108 -0.8302 1.00000
109 -0.8171 1.00000
110 -0.8171 1.00000
111 -0.8063 1.00000
112 -0.8063 1.00000
113 -0.7995 1.00000
114 -0.7399 1.00000
115 -0.7399 1.00000
116 -0.6866 1.00000
117 -0.5519 1.00000
118 -0.4717 1.00000
119 -0.4717 1.00000
120 -0.4037 1.00000
121 -0.3907 1.00000
122 -0.3832 1.00000
123 -0.3832 1.00000
124 -0.3493 1.00000
125 -0.3394 1.00000
126 -0.2522 1.00000
127 -0.2522 1.00000
128 -0.2503 1.00000
129 -0.1658 1.00000
130 -0.1554 1.00000
131 -0.1419 1.00000
132 -0.0837 1.00000
133 -0.0341 1.00000
134 -0.0341 1.00000
135 0.0215 1.00000
136 0.0215 1.00000
137 0.0349 1.00000
138 0.2653 1.00000
139 0.4215 1.00000
140 0.4215 1.00000
141 0.4250 1.00000
142 0.5529 1.00000
143 0.7334 1.00000
144 0.7334 1.00000
145 0.7787 1.00000
146 0.8125 1.00000
147 0.8125 1.00000
148 0.8323 1.00000
149 1.0268 1.00000
150 1.0268 1.00000
151 1.0530 1.00000
152 1.2034 1.00000
153 1.2186 1.00000
154 1.2186 1.00000
155 1.2224 1.00000
156 1.3591 1.00000
157 1.3597 1.00000
158 1.3597 1.00000
159 1.4423 1.00000
160 1.6034 1.00000
161 1.6881 1.00000
162 1.7672 1.00000
163 1.7672 1.00000
164 1.8269 1.00000
165 1.8452 1.00000
166 1.9156 1.00000
167 1.9156 1.00000
168 1.9469 1.00000
169 1.9797 1.00000
170 1.9797 1.00000
171 1.9819 1.00000
172 2.0241 1.00000
173 2.0241 1.00000
174 2.0777 1.00000
175 2.2388 1.00000
176 2.2975 1.00000
177 2.4383 1.00000
178 2.4613 1.00000
179 2.4613 1.00000
180 2.4631 1.00000
181 2.4631 1.00000
182 2.5421 1.00000
183 2.6046 1.00000
184 2.6046 1.00000
185 2.6292 1.00000
186 2.6292 1.00000
187 2.6727 1.00000
188 2.7142 1.00000
189 2.8213 1.00000
190 2.8323 1.00000
191 3.0107 1.00000
192 3.0234 1.00000
193 5.8040 0.00000
194 5.8377 0.00000
195 5.9203 0.00000
196 5.9638 0.00000
197 6.1322 0.00000
198 6.1322 0.00000
199 6.1548 0.00000
200 6.1548 0.00000
201 6.1836 0.00000
202 6.2585 0.00000
203 6.2832 0.00000
204 6.2832 0.00000
205 6.3195 0.00000
206 6.3195 0.00000
207 6.3830 0.00000
208 6.4459 0.00000
209 6.4910 0.00000
210 6.5179 0.00000
211 6.5565 0.00000
212 6.5659 0.00000
213 6.5688 0.00000
214 6.5688 0.00000
215 6.5850 0.00000
216 6.5850 0.00000
217 6.6339 0.00000
218 6.6823 0.00000
219 6.6823 0.00000
220 6.6996 0.00000
221 6.7280 0.00000
222 6.7280 0.00000
223 6.7334 0.00000
224 6.7560 0.00000
225 6.8614 0.00000
226 6.8906 0.00000
227 6.9048 0.00000
228 6.9905 0.00000
229 7.0098 0.00000
230 7.0098 0.00000
231 7.1202 0.00000
232 7.1202 0.00000
233 7.2817 0.00000
234 7.2817 0.00000
235 7.3736 0.00000
236 7.3736 0.00000
237 7.5506 0.00000
238 7.6057 0.00000
239 7.6169 0.00000
240 7.7029 0.00000
241 8.2560 0.00000
242 8.2947 0.00000
243 8.5259 0.00000
244 8.5259 0.00000
245 8.5280 0.00000
246 8.5280 0.00000
247 8.6326 0.00000
248 8.8290 0.00000
249 8.8575 0.00000
250 8.9957 0.00000
251 9.0457 0.00000
252 9.0789 0.00000
253 9.1722 0.00000
254 9.1723 0.00000
255 9.3834 0.00000
256 9.3886 0.00000
k-point 11 : 0.4167 0.2500 0.2500
band No. band energies occupation
1 -53.3437 1.00000
2 -53.3410 1.00000
3 -53.3360 1.00000
4 -53.3332 1.00000
5 -53.3319 1.00000
6 -53.3312 1.00000
7 -53.3295 1.00000
8 -53.3269 1.00000
9 -53.3158 1.00000
10 -53.3148 1.00000
11 -53.3144 1.00000
12 -53.3144 1.00000
13 -53.3096 1.00000
14 -53.3078 1.00000
15 -53.3046 1.00000
16 -53.3030 1.00000
17 -29.7617 1.00000
18 -29.7613 1.00000
19 -29.7587 1.00000
20 -29.7574 1.00000
21 -29.7298 1.00000
22 -29.7289 1.00000
23 -29.7099 1.00000
24 -29.6971 1.00000
25 -29.6933 1.00000
26 -29.6805 1.00000
27 -29.6795 1.00000
28 -29.6654 1.00000
29 -29.6525 1.00000
30 -29.6344 1.00000
31 -29.6326 1.00000
32 -29.6092 1.00000
33 -29.5992 1.00000
34 -29.5984 1.00000
35 -29.5902 1.00000
36 -29.5889 1.00000
37 -29.5801 1.00000
38 -29.5799 1.00000
39 -29.5742 1.00000
40 -29.5733 1.00000
41 -29.5713 1.00000
42 -29.5668 1.00000
43 -29.5569 1.00000
44 -29.5524 1.00000
45 -29.5397 1.00000
46 -29.5340 1.00000
47 -29.5311 1.00000
48 -29.5188 1.00000
49 -29.4922 1.00000
50 -29.4900 1.00000
51 -29.4862 1.00000
52 -29.4827 1.00000
53 -29.4784 1.00000
54 -29.4783 1.00000
55 -29.4761 1.00000
56 -29.4710 1.00000
57 -29.4698 1.00000
58 -29.4635 1.00000
59 -29.4541 1.00000
60 -29.4539 1.00000
61 -29.4341 1.00000
62 -29.4331 1.00000
63 -29.4309 1.00000
64 -29.4305 1.00000
65 -14.1273 1.00000
66 -14.0053 1.00000
67 -13.8747 1.00000
68 -13.8094 1.00000
69 -13.7605 1.00000
70 -13.6352 1.00000
71 -13.5922 1.00000
72 -13.4901 1.00000
73 -13.4576 1.00000
74 -13.3502 1.00000
75 -13.2663 1.00000
76 -13.2443 1.00000
77 -13.2052 1.00000
78 -13.1822 1.00000
79 -13.1764 1.00000
80 -13.1707 1.00000
81 -13.1700 1.00000
82 -13.1555 1.00000
83 -13.1068 1.00000
84 -13.0621 1.00000
85 -13.0507 1.00000
86 -13.0393 1.00000
87 -13.0261 1.00000
88 -12.9859 1.00000
89 -12.9633 1.00000
90 -12.9594 1.00000
91 -12.9100 1.00000
92 -12.9004 1.00000
93 -12.8770 1.00000
94 -12.8759 1.00000
95 -12.8442 1.00000
96 -12.8131 1.00000
97 -1.4570 1.00000
98 -1.4441 1.00000
99 -1.4363 1.00000
100 -1.4044 1.00000
101 -1.3973 1.00000
102 -1.3472 1.00000
103 -1.3281 1.00000
104 -1.2210 1.00000
105 -1.1833 1.00000
106 -1.1596 1.00000
107 -1.1191 1.00000
108 -1.0683 1.00000
109 -0.8481 1.00000
110 -0.8305 1.00000
111 -0.8275 1.00000
112 -0.8185 1.00000
113 -0.8104 1.00000
114 -0.7705 1.00000
115 -0.7058 1.00000
116 -0.6954 1.00000
117 -0.4677 1.00000
118 -0.4540 1.00000
119 -0.4018 1.00000
120 -0.3790 1.00000
121 -0.3293 1.00000
122 -0.2855 1.00000
123 -0.2777 1.00000
124 -0.2267 1.00000
125 -0.2211 1.00000
126 -0.2159 1.00000
127 -0.1919 1.00000
128 -0.1889 1.00000
129 -0.1770 1.00000
130 -0.0561 1.00000
131 -0.0370 1.00000
132 -0.0061 1.00000
133 0.0278 1.00000
134 0.1405 1.00000
135 0.2196 1.00000
136 0.3547 1.00000
137 0.3669 1.00000
138 0.4525 1.00000
139 0.4661 1.00000
140 0.4956 1.00000
141 0.5555 1.00000
142 0.5776 1.00000
143 0.5974 1.00000
144 0.5976 1.00000
145 0.6556 1.00000
146 0.6627 1.00000
147 0.6959 1.00000
148 0.7805 1.00000
149 0.8764 1.00000
150 0.9548 1.00000
151 1.0781 1.00000
152 1.1601 1.00000
153 1.1707 1.00000
154 1.2013 1.00000
155 1.2495 1.00000
156 1.2638 1.00000
157 1.3291 1.00000
158 1.4157 1.00000
159 1.4183 1.00000
160 1.4206 1.00000
161 1.5010 1.00000
162 1.5324 1.00000
163 1.5965 1.00000
164 1.6209 1.00000
165 1.7106 1.00000
166 1.7620 1.00000
167 1.9646 1.00000
168 2.0081 1.00000
169 2.0266 1.00000
170 2.0291 1.00000
171 2.0866 1.00000
172 2.1252 1.00000
173 2.1490 1.00000
174 2.1921 1.00000
175 2.2941 1.00000
176 2.3041 1.00000
177 2.4555 1.00000
178 2.4690 1.00000
179 2.4787 1.00000
180 2.4813 1.00000
181 2.5039 1.00000
182 2.5087 1.00000
183 2.5512 1.00000
184 2.6560 1.00000
185 2.6713 1.00000
186 2.6989 1.00000
187 2.7544 1.00000
188 2.8104 1.00000
189 2.8118 1.00000
190 2.8374 1.00000
191 2.9526 1.00000
192 2.9562 1.00000
193 5.9498 0.00000
194 5.9888 0.00000
195 6.0447 0.00000
196 6.0525 0.00000
197 6.0732 0.00000
198 6.1036 0.00000
199 6.1302 0.00000
200 6.1352 0.00000
201 6.1558 0.00000
202 6.1679 0.00000
203 6.2415 0.00000
204 6.2439 0.00000
205 6.2528 0.00000
206 6.2661 0.00000
207 6.3115 0.00000
208 6.3181 0.00000
209 6.3186 0.00000
210 6.4741 0.00000
211 6.4795 0.00000
212 6.5069 0.00000
213 6.5334 0.00000
214 6.5490 0.00000
215 6.5516 0.00000
216 6.5769 0.00000
217 6.6257 0.00000
218 6.6458 0.00000
219 6.6722 0.00000
220 6.6761 0.00000
221 6.6877 0.00000
222 6.6952 0.00000
223 6.7128 0.00000
224 6.7236 0.00000
225 6.7297 0.00000
226 6.7593 0.00000
227 6.7677 0.00000
228 6.8328 0.00000
229 7.0225 0.00000
230 7.0921 0.00000
231 7.1311 0.00000
232 7.1651 0.00000
233 7.2429 0.00000
234 7.2464 0.00000
235 7.2845 0.00000
236 7.3410 0.00000
237 7.4111 0.00000
238 7.4235 0.00000
239 7.4507 0.00000
240 7.5617 0.00000
241 8.3648 0.00000
242 8.3816 0.00000
243 8.4455 0.00000
244 8.4521 0.00000
245 8.7115 0.00000
246 8.7373 0.00000
247 8.8560 0.00000
248 8.8602 0.00000
249 8.8960 0.00000
250 9.0251 0.00000
251 9.1230 0.00000
252 9.1379 0.00000
253 9.2497 0.00000
254 9.2951 0.00000
255 9.3010 0.00000
256 9.3237 0.00000
k-point 12 : 0.4167 0.4167 0.2500
band No. band energies occupation
1 -53.3417 1.00000
2 -53.3390 1.00000
3 -53.3390 1.00000
4 -53.3362 1.00000
5 -53.3307 1.00000
6 -53.3296 1.00000
7 -53.3296 1.00000
8 -53.3278 1.00000
9 -53.3159 1.00000
10 -53.3152 1.00000
11 -53.3152 1.00000
12 -53.3151 1.00000
13 -53.3074 1.00000
14 -53.3057 1.00000
15 -53.3057 1.00000
16 -53.3041 1.00000
17 -29.7612 1.00000
18 -29.7605 1.00000
19 -29.7605 1.00000
20 -29.7595 1.00000
21 -29.7187 1.00000
22 -29.7126 1.00000
23 -29.7126 1.00000
24 -29.7002 1.00000
25 -29.6848 1.00000
26 -29.6672 1.00000
27 -29.6672 1.00000
28 -29.6620 1.00000
29 -29.6494 1.00000
30 -29.6449 1.00000
31 -29.6449 1.00000
32 -29.6233 1.00000
33 -29.5954 1.00000
34 -29.5947 1.00000
35 -29.5885 1.00000
36 -29.5885 1.00000
37 -29.5869 1.00000
38 -29.5869 1.00000
39 -29.5853 1.00000
40 -29.5826 1.00000
41 -29.5624 1.00000
42 -29.5554 1.00000
43 -29.5506 1.00000
44 -29.5506 1.00000
45 -29.5421 1.00000
46 -29.5421 1.00000
47 -29.5420 1.00000
48 -29.5295 1.00000
49 -29.4920 1.00000
50 -29.4897 1.00000
51 -29.4897 1.00000
52 -29.4870 1.00000
53 -29.4768 1.00000
54 -29.4756 1.00000
55 -29.4756 1.00000
56 -29.4722 1.00000
57 -29.4656 1.00000
58 -29.4605 1.00000
59 -29.4605 1.00000
60 -29.4579 1.00000
61 -29.4302 1.00000
62 -29.4293 1.00000
63 -29.4293 1.00000
64 -29.4286 1.00000
65 -14.0111 1.00000
66 -13.8774 1.00000
67 -13.8774 1.00000
68 -13.7668 1.00000
69 -13.7267 1.00000
70 -13.6749 1.00000
71 -13.6749 1.00000
72 -13.5326 1.00000
73 -13.4317 1.00000
74 -13.3228 1.00000
75 -13.3228 1.00000
76 -13.2721 1.00000
77 -13.2068 1.00000
78 -13.1969 1.00000
79 -13.1492 1.00000
80 -13.1492 1.00000
81 -13.1264 1.00000
82 -13.1260 1.00000
83 -13.1260 1.00000
84 -13.1041 1.00000
85 -13.0821 1.00000
86 -13.0821 1.00000
87 -13.0551 1.00000
88 -13.0091 1.00000
89 -12.9977 1.00000
90 -12.9464 1.00000
91 -12.9464 1.00000
92 -12.9141 1.00000
93 -12.8849 1.00000
94 -12.8552 1.00000
95 -12.8552 1.00000
96 -12.8272 1.00000
97 -1.4425 1.00000
98 -1.4090 1.00000
99 -1.3890 1.00000
100 -1.3890 1.00000
101 -1.3763 1.00000
102 -1.3763 1.00000
103 -1.3114 1.00000
104 -1.2354 1.00000
105 -1.2145 1.00000
106 -1.1956 1.00000
107 -1.1287 1.00000
108 -1.1287 1.00000
109 -1.1025 1.00000
110 -1.0643 1.00000
111 -1.0643 1.00000
112 -1.0166 1.00000
113 -0.7655 1.00000
114 -0.7311 1.00000
115 -0.7311 1.00000
116 -0.7106 1.00000
117 -0.3400 1.00000
118 -0.3400 1.00000
119 -0.3231 1.00000
120 -0.3070 1.00000
121 -0.2825 1.00000
122 -0.1933 1.00000
123 -0.1933 1.00000
124 -0.1701 1.00000
125 -0.1682 1.00000
126 -0.1422 1.00000
127 -0.1422 1.00000
128 -0.0747 1.00000
129 -0.0634 1.00000
130 0.1694 1.00000
131 0.1694 1.00000
132 0.1952 1.00000
133 0.2930 1.00000
134 0.2930 1.00000
135 0.3560 1.00000
136 0.3577 1.00000
137 0.4272 1.00000
138 0.4743 1.00000
139 0.4887 1.00000
140 0.4887 1.00000
141 0.5610 1.00000
142 0.5764 1.00000
143 0.5764 1.00000
144 0.6111 1.00000
145 0.6234 1.00000
146 0.7235 1.00000
147 0.7235 1.00000
148 0.7616 1.00000
149 0.8241 1.00000
150 0.9099 1.00000
151 0.9099 1.00000
152 0.9640 1.00000
153 1.1035 1.00000
154 1.1763 1.00000
155 1.1763 1.00000
156 1.2042 1.00000
157 1.2393 1.00000
158 1.2735 1.00000
159 1.2735 1.00000
160 1.3988 1.00000
161 1.4418 1.00000
162 1.4589 1.00000
163 1.4589 1.00000
164 1.5434 1.00000
165 1.6308 1.00000
166 1.7579 1.00000
167 1.7579 1.00000
168 1.9445 1.00000
169 2.0625 1.00000
170 2.0941 1.00000
171 2.1444 1.00000
172 2.1444 1.00000
173 2.1852 1.00000
174 2.1852 1.00000
175 2.2895 1.00000
176 2.3437 1.00000
177 2.4039 1.00000
178 2.4649 1.00000
179 2.5041 1.00000
180 2.5041 1.00000
181 2.5314 1.00000
182 2.5371 1.00000
183 2.5371 1.00000
184 2.6216 1.00000
185 2.7716 1.00000
186 2.8346 1.00000
187 2.8346 1.00000
188 2.8714 1.00000
189 2.8714 1.00000
190 2.9038 1.00000
191 2.9297 1.00000
192 2.9368 1.00000
193 5.9826 0.00000
194 6.0086 0.00000
195 6.0086 0.00000
196 6.0289 0.00000
197 6.0343 0.00000
198 6.0620 0.00000
199 6.0620 0.00000
200 6.0966 0.00000
201 6.1773 0.00000
202 6.2143 0.00000
203 6.2143 0.00000
204 6.2208 0.00000
205 6.2398 0.00000
206 6.2398 0.00000
207 6.2446 0.00000
208 6.3071 0.00000
209 6.3745 0.00000
210 6.4444 0.00000
211 6.4665 0.00000
212 6.4757 0.00000
213 6.4757 0.00000
214 6.5266 0.00000
215 6.5266 0.00000
216 6.5303 0.00000
217 6.5875 0.00000
218 6.6039 0.00000
219 6.6039 0.00000
220 6.6095 0.00000
221 6.6477 0.00000
222 6.6642 0.00000
223 6.6642 0.00000
224 6.6803 0.00000
225 6.7502 0.00000
226 6.8455 0.00000
227 6.8880 0.00000
228 6.8880 0.00000
229 6.9256 0.00000
230 7.0134 0.00000
231 7.0134 0.00000
232 7.1067 0.00000
233 7.1067 0.00000
234 7.1120 0.00000
235 7.1250 0.00000
236 7.2158 0.00000
237 7.2592 0.00000
238 7.2786 0.00000
239 7.2786 0.00000
240 7.4187 0.00000
241 8.5151 0.00000
242 8.5296 0.00000
243 8.6140 0.00000
244 8.6140 0.00000
245 8.6386 0.00000
246 8.6386 0.00000
247 8.7375 0.00000
248 8.7740 0.00000
249 9.0048 0.00000
250 9.1306 0.00000
251 9.1306 0.00000
252 9.2275 0.00000
253 9.3344 0.00000
254 9.4986 0.00000
255 9.5038 0.00000
256 9.5284 0.00000
k-point 13 : 0.0833 0.0833 0.4167
band No. band energies occupation
1 -53.3445 1.00000
2 -53.3398 1.00000
3 -53.3356 1.00000
4 -53.3356 1.00000
5 -53.3347 1.00000
6 -53.3347 1.00000
7 -53.3231 1.00000
8 -53.3224 1.00000
9 -53.3184 1.00000
10 -53.3177 1.00000
11 -53.3100 1.00000
12 -53.3100 1.00000
13 -53.3091 1.00000
14 -53.3091 1.00000
15 -53.3088 1.00000
16 -53.3041 1.00000
17 -29.7493 1.00000
18 -29.7493 1.00000
19 -29.7452 1.00000
20 -29.7452 1.00000
21 -29.7425 1.00000
22 -29.7406 1.00000
23 -29.7402 1.00000
24 -29.7294 1.00000
25 -29.7273 1.00000
26 -29.7095 1.00000
27 -29.6743 1.00000
28 -29.6743 1.00000
29 -29.6729 1.00000
30 -29.6729 1.00000
31 -29.6060 1.00000
32 -29.6058 1.00000
33 -29.5969 1.00000
34 -29.5967 1.00000
35 -29.5765 1.00000
36 -29.5732 1.00000
37 -29.5708 1.00000
38 -29.5682 1.00000
39 -29.5677 1.00000
40 -29.5677 1.00000
41 -29.5670 1.00000
42 -29.5670 1.00000
43 -29.5328 1.00000
44 -29.5328 1.00000
45 -29.5327 1.00000
46 -29.5327 1.00000
47 -29.4977 1.00000
48 -29.4901 1.00000
49 -29.4877 1.00000
50 -29.4838 1.00000
51 -29.4838 1.00000
52 -29.4831 1.00000
53 -29.4831 1.00000
54 -29.4825 1.00000
55 -29.4801 1.00000
56 -29.4629 1.00000
57 -29.4612 1.00000
58 -29.4609 1.00000
59 -29.4536 1.00000
60 -29.4518 1.00000
61 -29.4510 1.00000
62 -29.4510 1.00000
63 -29.4480 1.00000
64 -29.4480 1.00000
65 -14.2860 1.00000
66 -14.1860 1.00000
67 -13.8933 1.00000
68 -13.8933 1.00000
69 -13.8795 1.00000
70 -13.8795 1.00000
71 -13.5446 1.00000
72 -13.4558 1.00000
73 -13.3352 1.00000
74 -13.3097 1.00000
75 -13.1898 1.00000
76 -13.1898 1.00000
77 -13.1871 1.00000
78 -13.1871 1.00000
79 -13.1854 1.00000
80 -13.1705 1.00000
81 -13.0826 1.00000
82 -13.0684 1.00000
83 -13.0554 1.00000
84 -13.0263 1.00000
85 -13.0263 1.00000
86 -13.0114 1.00000
87 -13.0114 1.00000
88 -13.0073 1.00000
89 -12.9106 1.00000
90 -12.9106 1.00000
91 -12.9072 1.00000
92 -12.9072 1.00000
93 -12.8340 1.00000
94 -12.8289 1.00000
95 -12.8011 1.00000
96 -12.7949 1.00000
97 -1.3066 1.00000
98 -1.3066 1.00000
99 -1.2705 1.00000
100 -1.2705 1.00000
101 -1.2479 1.00000
102 -1.2238 1.00000
103 -1.2170 1.00000
104 -1.1802 1.00000
105 -0.9165 1.00000
106 -0.9165 1.00000
107 -0.9098 1.00000
108 -0.8757 1.00000
109 -0.8676 1.00000
110 -0.8632 1.00000
111 -0.8632 1.00000
112 -0.7911 1.00000
113 -0.6628 1.00000
114 -0.6549 1.00000
115 -0.6365 1.00000
116 -0.6213 1.00000
117 -0.6039 1.00000
118 -0.5605 1.00000
119 -0.5605 1.00000
120 -0.5565 1.00000
121 -0.5565 1.00000
122 -0.5490 1.00000
123 -0.5280 1.00000
124 -0.5275 1.00000
125 -0.4808 1.00000
126 -0.4808 1.00000
127 -0.4802 1.00000
128 -0.4747 1.00000
129 -0.4545 1.00000
130 -0.4545 1.00000
131 -0.4172 1.00000
132 -0.3683 1.00000
133 -0.1589 1.00000
134 -0.1589 1.00000
135 -0.1471 1.00000
136 -0.1471 1.00000
137 0.1607 1.00000
138 0.1854 1.00000
139 0.3523 1.00000
140 0.3751 1.00000
141 0.8953 1.00000
142 0.8953 1.00000
143 0.9879 1.00000
144 0.9879 1.00000
145 1.0341 1.00000
146 1.0341 1.00000
147 1.0982 1.00000
148 1.0994 1.00000
149 1.1084 1.00000
150 1.1084 1.00000
151 1.1575 1.00000
152 1.1593 1.00000
153 1.1730 1.00000
154 1.1730 1.00000
155 1.2351 1.00000
156 1.2351 1.00000
157 1.4202 1.00000
158 1.4202 1.00000
159 1.4210 1.00000
160 1.4404 1.00000
161 1.4876 1.00000
162 1.4923 1.00000
163 1.4923 1.00000
164 1.6491 1.00000
165 1.7073 1.00000
166 1.7335 1.00000
167 1.9504 1.00000
168 1.9750 1.00000
169 2.0590 1.00000
170 2.0781 1.00000
171 2.0916 1.00000
172 2.2138 1.00000
173 2.2277 1.00000
174 2.2277 1.00000
175 2.2309 1.00000
176 2.2309 1.00000
177 2.2931 1.00000
178 2.2931 1.00000
179 2.2935 1.00000
180 2.2935 1.00000
181 2.5014 1.00000
182 2.5014 1.00000
183 2.5026 1.00000
184 2.5026 1.00000
185 2.7991 1.00000
186 2.8481 1.00000
187 2.8566 1.00000
188 2.8599 1.00000
189 2.8759 1.00000
190 2.9154 1.00000
191 2.9473 1.00000
192 2.9520 1.00000
193 5.3542 0.00000
194 5.4070 0.00000
195 5.7789 0.00000
196 5.8373 0.00000
197 6.2600 0.00000
198 6.2600 0.00000
199 6.2637 0.00000
200 6.2637 0.00000
201 6.4479 0.00000
202 6.4667 0.00000
203 6.4841 0.00000
204 6.4841 0.00000
205 6.4867 0.00000
206 6.4867 0.00000
207 6.5310 0.00000
208 6.5572 0.00000
209 6.5838 0.00000
210 6.5878 0.00000
211 6.6286 0.00000
212 6.6286 0.00000
213 6.6305 0.00000
214 6.6305 0.00000
215 6.6579 0.00000
216 6.6579 0.00000
217 6.6645 0.00000
218 6.6679 0.00000
219 6.6679 0.00000
220 6.6684 0.00000
221 6.7889 0.00000
222 6.7988 0.00000
223 6.8276 0.00000
224 6.8416 0.00000
225 7.1453 0.00000
226 7.1484 0.00000
227 7.1822 0.00000
228 7.1833 0.00000
229 7.2484 0.00000
230 7.2484 0.00000
231 7.2626 0.00000
232 7.2626 0.00000
233 7.4559 0.00000
234 7.4559 0.00000
235 7.4604 0.00000
236 7.4604 0.00000
237 7.8221 0.00000
238 7.8291 0.00000
239 7.8397 0.00000
240 7.8484 0.00000
241 7.8863 0.00000
242 7.9306 0.00000
243 8.2233 0.00000
244 8.2892 0.00000
245 8.3575 0.00000
246 8.3575 0.00000
247 8.3659 0.00000
248 8.3659 0.00000
249 8.4027 0.00000
250 8.4952 0.00000
251 9.0627 0.00000
252 9.0630 0.00000
253 9.0724 0.00000
254 9.0729 0.00000
255 9.2911 0.00000
256 9.3023 0.00000
k-point 14 : 0.2500 0.0833 0.4167
band No. band energies occupation
1 -53.3436 1.00000
2 -53.3390 1.00000
3 -53.3374 1.00000
4 -53.3350 1.00000
5 -53.3345 1.00000
6 -53.3336 1.00000
7 -53.3262 1.00000
8 -53.3254 1.00000
9 -53.3159 1.00000
10 -53.3151 1.00000
11 -53.3106 1.00000
12 -53.3103 1.00000
13 -53.3097 1.00000
14 -53.3091 1.00000
15 -53.3079 1.00000
16 -53.3046 1.00000
17 -29.7492 1.00000
18 -29.7490 1.00000
19 -29.7464 1.00000
20 -29.7450 1.00000
21 -29.7431 1.00000
22 -29.7415 1.00000
23 -29.7370 1.00000
24 -29.7166 1.00000
25 -29.7141 1.00000
26 -29.7123 1.00000
27 -29.6780 1.00000
28 -29.6764 1.00000
29 -29.6640 1.00000
30 -29.6599 1.00000
31 -29.6066 1.00000
32 -29.6065 1.00000
33 -29.5930 1.00000
34 -29.5867 1.00000
35 -29.5863 1.00000
36 -29.5863 1.00000
37 -29.5779 1.00000
38 -29.5774 1.00000
39 -29.5730 1.00000
40 -29.5689 1.00000
41 -29.5684 1.00000
42 -29.5669 1.00000
43 -29.5409 1.00000
44 -29.5408 1.00000
45 -29.5291 1.00000
46 -29.5290 1.00000
47 -29.5036 1.00000
48 -29.4982 1.00000
49 -29.4875 1.00000
50 -29.4848 1.00000
51 -29.4828 1.00000
52 -29.4826 1.00000
53 -29.4825 1.00000
54 -29.4817 1.00000
55 -29.4734 1.00000
56 -29.4692 1.00000
57 -29.4673 1.00000
58 -29.4548 1.00000
59 -29.4546 1.00000
60 -29.4494 1.00000
61 -29.4485 1.00000
62 -29.4468 1.00000
63 -29.4460 1.00000
64 -29.4456 1.00000
65 -14.2282 1.00000
66 -14.1314 1.00000
67 -13.9428 1.00000
68 -13.9012 1.00000
69 -13.8128 1.00000
70 -13.7987 1.00000
71 -13.5035 1.00000
72 -13.4170 1.00000
73 -13.3109 1.00000
74 -13.3100 1.00000
75 -13.2926 1.00000
76 -13.2848 1.00000
77 -13.2054 1.00000
78 -13.1972 1.00000
79 -13.1533 1.00000
80 -13.1468 1.00000
81 -13.1443 1.00000
82 -13.1154 1.00000
83 -13.0669 1.00000
84 -13.0509 1.00000
85 -13.0350 1.00000
86 -13.0125 1.00000
87 -12.9981 1.00000
88 -12.9890 1.00000
89 -12.9044 1.00000
90 -12.9034 1.00000
91 -12.8995 1.00000
92 -12.8875 1.00000
93 -12.8703 1.00000
94 -12.8631 1.00000
95 -12.8166 1.00000
96 -12.8062 1.00000
97 -1.4407 1.00000
98 -1.4096 1.00000
99 -1.3891 1.00000
100 -1.3826 1.00000
101 -1.3013 1.00000
102 -1.2696 1.00000
103 -1.2312 1.00000
104 -1.1998 1.00000
105 -0.9136 1.00000
106 -0.8915 1.00000
107 -0.8903 1.00000
108 -0.8854 1.00000
109 -0.8759 1.00000
110 -0.8526 1.00000
111 -0.7937 1.00000
112 -0.7800 1.00000
113 -0.6355 1.00000
114 -0.6217 1.00000
115 -0.5987 1.00000
116 -0.5935 1.00000
117 -0.5921 1.00000
118 -0.5694 1.00000
119 -0.5691 1.00000
120 -0.5094 1.00000
121 -0.5070 1.00000
122 -0.4912 1.00000
123 -0.4682 1.00000
124 -0.4665 1.00000
125 -0.4380 1.00000
126 -0.4339 1.00000
127 -0.4172 1.00000
128 -0.4117 1.00000
129 -0.3691 1.00000
130 -0.3309 1.00000
131 -0.1919 1.00000
132 -0.1704 1.00000
133 -0.1510 1.00000
134 -0.1434 1.00000
135 -0.0667 1.00000
136 -0.0411 1.00000
137 0.0537 1.00000
138 0.0928 1.00000
139 0.4460 1.00000
140 0.4762 1.00000
141 0.6245 1.00000
142 0.6888 1.00000
143 0.8001 1.00000
144 0.8851 1.00000
145 0.8889 1.00000
146 0.9369 1.00000
147 0.9545 1.00000
148 0.9798 1.00000
149 1.0273 1.00000
150 1.1331 1.00000
151 1.1506 1.00000
152 1.1787 1.00000
153 1.1889 1.00000
154 1.1935 1.00000
155 1.3298 1.00000
156 1.3330 1.00000
157 1.3474 1.00000
158 1.4164 1.00000
159 1.4719 1.00000
160 1.5416 1.00000
161 1.6032 1.00000
162 1.7003 1.00000
163 1.7197 1.00000
164 1.7676 1.00000
165 1.8101 1.00000
166 1.8135 1.00000
167 1.8937 1.00000
168 1.9015 1.00000
169 1.9355 1.00000
170 1.9444 1.00000
171 1.9815 1.00000
172 2.0306 1.00000
173 2.2450 1.00000
174 2.2576 1.00000
175 2.2790 1.00000
176 2.3416 1.00000
177 2.3459 1.00000
178 2.3541 1.00000
179 2.4935 1.00000
180 2.5029 1.00000
181 2.5530 1.00000
182 2.5531 1.00000
183 2.5634 1.00000
184 2.5697 1.00000
185 2.5965 1.00000
186 2.6776 1.00000
187 2.7322 1.00000
188 2.7529 1.00000
189 2.7615 1.00000
190 2.7835 1.00000
191 2.9532 1.00000
192 2.9534 1.00000
193 5.5986 0.00000
194 5.6191 0.00000
195 5.9043 0.00000
196 5.9286 0.00000
197 6.1584 0.00000
198 6.1756 0.00000
199 6.2091 0.00000
200 6.2219 0.00000
201 6.2861 0.00000
202 6.3012 0.00000
203 6.3410 0.00000
204 6.3561 0.00000
205 6.4333 0.00000
206 6.4374 0.00000
207 6.4661 0.00000
208 6.4664 0.00000
209 6.5791 0.00000
210 6.5826 0.00000
211 6.5911 0.00000
212 6.6000 0.00000
213 6.6132 0.00000
214 6.6187 0.00000
215 6.6395 0.00000
216 6.6433 0.00000
217 6.6514 0.00000
218 6.6658 0.00000
219 6.6755 0.00000
220 6.6826 0.00000
221 6.7372 0.00000
222 6.7405 0.00000
223 6.7592 0.00000
224 6.7804 0.00000
225 6.8397 0.00000
226 6.8719 0.00000
227 7.0387 0.00000
228 7.0550 0.00000
229 7.1947 0.00000
230 7.2305 0.00000
231 7.2391 0.00000
232 7.2670 0.00000
233 7.3671 0.00000
234 7.3921 0.00000
235 7.4464 0.00000
236 7.4509 0.00000
237 7.7001 0.00000
238 7.7091 0.00000
239 7.7437 0.00000
240 7.7571 0.00000
241 8.0172 0.00000
242 8.0598 0.00000
243 8.2818 0.00000
244 8.3037 0.00000
245 8.5354 0.00000
246 8.5753 0.00000
247 8.5758 0.00000
248 8.5776 0.00000
249 8.6408 0.00000
250 8.7019 0.00000
251 9.0238 0.00000
252 9.0464 0.00000
253 9.1150 0.00000
254 9.1237 0.00000
255 9.2464 0.00000
256 9.3505 0.00000
k-point 15 : 0.4167 0.0833 0.4167
band No. band energies occupation
1 -53.3418 1.00000
2 -53.3396 1.00000
3 -53.3377 1.00000
4 -53.3362 1.00000
5 -53.3324 1.00000
6 -53.3315 1.00000
7 -53.3295 1.00000
8 -53.3287 1.00000
9 -53.3136 1.00000
10 -53.3127 1.00000
11 -53.3118 1.00000
12 -53.3109 1.00000
13 -53.3100 1.00000
14 -53.3095 1.00000
15 -53.3065 1.00000
16 -53.3054 1.00000
17 -29.7486 1.00000
18 -29.7480 1.00000
19 -29.7465 1.00000
20 -29.7447 1.00000
21 -29.7443 1.00000
22 -29.7435 1.00000
23 -29.7270 1.00000
24 -29.7182 1.00000
25 -29.7004 1.00000
26 -29.6981 1.00000
27 -29.6866 1.00000
28 -29.6846 1.00000
29 -29.6440 1.00000
30 -29.6379 1.00000
31 -29.6183 1.00000
32 -29.6113 1.00000
33 -29.6022 1.00000
34 -29.6021 1.00000
35 -29.5918 1.00000
36 -29.5915 1.00000
37 -29.5718 1.00000
38 -29.5718 1.00000
39 -29.5715 1.00000
40 -29.5703 1.00000
41 -29.5678 1.00000
42 -29.5672 1.00000
43 -29.5552 1.00000
44 -29.5549 1.00000
45 -29.5222 1.00000
46 -29.5210 1.00000
47 -29.5129 1.00000
48 -29.5098 1.00000
49 -29.4867 1.00000
50 -29.4858 1.00000
51 -29.4824 1.00000
52 -29.4824 1.00000
53 -29.4799 1.00000
54 -29.4785 1.00000
55 -29.4753 1.00000
56 -29.4735 1.00000
57 -29.4655 1.00000
58 -29.4592 1.00000
59 -29.4490 1.00000
60 -29.4466 1.00000
61 -29.4464 1.00000
62 -29.4461 1.00000
63 -29.4438 1.00000
64 -29.4435 1.00000
65 -14.1314 1.00000
66 -14.0442 1.00000
67 -14.0267 1.00000
68 -13.9586 1.00000
69 -13.6672 1.00000
70 -13.6522 1.00000
71 -13.4862 1.00000
72 -13.4697 1.00000
73 -13.4220 1.00000
74 -13.3444 1.00000
75 -13.3014 1.00000
76 -13.2686 1.00000
77 -13.2487 1.00000
78 -13.2476 1.00000
79 -13.2212 1.00000
80 -13.2145 1.00000
81 -13.0925 1.00000
82 -13.0904 1.00000
83 -13.0682 1.00000
84 -13.0576 1.00000
85 -12.9935 1.00000
86 -12.9717 1.00000
87 -12.9635 1.00000
88 -12.9533 1.00000
89 -12.9406 1.00000
90 -12.9118 1.00000
91 -12.9108 1.00000
92 -12.9076 1.00000
93 -12.8882 1.00000
94 -12.8820 1.00000
95 -12.8593 1.00000
96 -12.8478 1.00000
97 -1.3876 1.00000
98 -1.3644 1.00000
99 -1.3626 1.00000
100 -1.3540 1.00000
101 -1.2981 1.00000
102 -1.2819 1.00000
103 -1.2314 1.00000
104 -1.1893 1.00000
105 -1.1787 1.00000
106 -1.1635 1.00000
107 -1.0947 1.00000
108 -1.0705 1.00000
109 -0.9037 1.00000
110 -0.8980 1.00000
111 -0.8445 1.00000
112 -0.8434 1.00000
113 -0.6190 1.00000
114 -0.6042 1.00000
115 -0.5981 1.00000
116 -0.5878 1.00000
117 -0.5840 1.00000
118 -0.5717 1.00000
119 -0.4947 1.00000
120 -0.4824 1.00000
121 -0.4590 1.00000
122 -0.4569 1.00000
123 -0.4265 1.00000
124 -0.4048 1.00000
125 -0.3470 1.00000
126 -0.3367 1.00000
127 -0.3214 1.00000
128 -0.3112 1.00000
129 -0.3062 1.00000
130 -0.2830 1.00000
131 -0.2647 1.00000
132 -0.2190 1.00000
133 0.0604 1.00000
134 0.1084 1.00000
135 0.2956 1.00000
136 0.3491 1.00000
137 0.3809 1.00000
138 0.3929 1.00000
139 0.5118 1.00000
140 0.5154 1.00000
141 0.5551 1.00000
142 0.5820 1.00000
143 0.6900 1.00000
144 0.7081 1.00000
145 0.7653 1.00000
146 0.7929 1.00000
147 0.8547 1.00000
148 0.9566 1.00000
149 1.0594 1.00000
150 1.0658 1.00000
151 1.0744 1.00000
152 1.1208 1.00000
153 1.1292 1.00000
154 1.2401 1.00000
155 1.2800 1.00000
156 1.2832 1.00000
157 1.2906 1.00000
158 1.3530 1.00000
159 1.3685 1.00000
160 1.4327 1.00000
161 1.4973 1.00000
162 1.5553 1.00000
163 1.6329 1.00000
164 1.6578 1.00000
165 1.6850 1.00000
166 1.7161 1.00000
167 1.8250 1.00000
168 1.8881 1.00000
169 2.1190 1.00000
170 2.1224 1.00000
171 2.1742 1.00000
172 2.2072 1.00000
173 2.2912 1.00000
174 2.3240 1.00000
175 2.3952 1.00000
176 2.4236 1.00000
177 2.4436 1.00000
178 2.4611 1.00000
179 2.4730 1.00000
180 2.4875 1.00000
181 2.5516 1.00000
182 2.5594 1.00000
183 2.5832 1.00000
184 2.5941 1.00000
185 2.6043 1.00000
186 2.6141 1.00000
187 2.6164 1.00000
188 2.6545 1.00000
189 2.7423 1.00000
190 2.7515 1.00000
191 2.8900 1.00000
192 2.8956 1.00000
193 5.8380 0.00000
194 5.8718 0.00000
195 6.0101 0.00000
196 6.0437 0.00000
197 6.1472 0.00000
198 6.1590 0.00000
199 6.1634 0.00000
200 6.1953 0.00000
201 6.2008 0.00000
202 6.2104 0.00000
203 6.2469 0.00000
204 6.2528 0.00000
205 6.3367 0.00000
206 6.3391 0.00000
207 6.3493 0.00000
208 6.3568 0.00000
209 6.4139 0.00000
210 6.4422 0.00000
211 6.4940 0.00000
212 6.5166 0.00000
213 6.5828 0.00000
214 6.6021 0.00000
215 6.6080 0.00000
216 6.6119 0.00000
217 6.6163 0.00000
218 6.6291 0.00000
219 6.6354 0.00000
220 6.6443 0.00000
221 6.6927 0.00000
222 6.6986 0.00000
223 6.7271 0.00000
224 6.7280 0.00000
225 6.7897 0.00000
226 6.8202 0.00000
227 6.8420 0.00000
228 6.8551 0.00000
229 7.2755 0.00000
230 7.3062 0.00000
231 7.3344 0.00000
232 7.3568 0.00000
233 7.3724 0.00000
234 7.3912 0.00000
235 7.4256 0.00000
236 7.4518 0.00000
237 7.5128 0.00000
238 7.5253 0.00000
239 7.5842 0.00000
240 7.6025 0.00000
241 8.0990 0.00000
242 8.1366 0.00000
243 8.1848 0.00000
244 8.2154 0.00000
245 8.7816 0.00000
246 8.7839 0.00000
247 8.8161 0.00000
248 8.8556 0.00000
249 8.8767 0.00000
250 8.9392 0.00000
251 8.9465 0.00000
252 8.9484 0.00000
253 8.9515 0.00000
254 8.9797 0.00000
255 9.0807 0.00000
256 9.1742 0.00000
k-point 16 : 0.2500 0.2500 0.4167
band No. band energies occupation
1 -53.3426 1.00000
2 -53.3382 1.00000
3 -53.3363 1.00000
4 -53.3363 1.00000
5 -53.3339 1.00000
6 -53.3339 1.00000
7 -53.3287 1.00000
8 -53.3269 1.00000
9 -53.3150 1.00000
10 -53.3131 1.00000
11 -53.3108 1.00000
12 -53.3108 1.00000
13 -53.3094 1.00000
14 -53.3084 1.00000
15 -53.3084 1.00000
16 -53.3050 1.00000
17 -29.7490 1.00000
18 -29.7490 1.00000
19 -29.7486 1.00000
20 -29.7423 1.00000
21 -29.7407 1.00000
22 -29.7372 1.00000
23 -29.7372 1.00000
24 -29.7147 1.00000
25 -29.7077 1.00000
26 -29.7022 1.00000
27 -29.6681 1.00000
28 -29.6681 1.00000
29 -29.6634 1.00000
30 -29.6634 1.00000
31 -29.6057 1.00000
32 -29.6056 1.00000
33 -29.6028 1.00000
34 -29.5947 1.00000
35 -29.5792 1.00000
36 -29.5788 1.00000
37 -29.5788 1.00000
38 -29.5785 1.00000
39 -29.5784 1.00000
40 -29.5772 1.00000
41 -29.5772 1.00000
42 -29.5749 1.00000
43 -29.5370 1.00000
44 -29.5370 1.00000
45 -29.5364 1.00000
46 -29.5364 1.00000
47 -29.5096 1.00000
48 -29.5049 1.00000
49 -29.4880 1.00000
50 -29.4843 1.00000
51 -29.4843 1.00000
52 -29.4827 1.00000
53 -29.4814 1.00000
54 -29.4814 1.00000
55 -29.4738 1.00000
56 -29.4698 1.00000
57 -29.4676 1.00000
58 -29.4518 1.00000
59 -29.4518 1.00000
60 -29.4501 1.00000
61 -29.4490 1.00000
62 -29.4434 1.00000
63 -29.4434 1.00000
64 -29.4431 1.00000
65 -14.1674 1.00000
66 -14.0729 1.00000
67 -13.8649 1.00000
68 -13.8649 1.00000
69 -13.8221 1.00000
70 -13.8221 1.00000
71 -13.4664 1.00000
72 -13.4043 1.00000
73 -13.3805 1.00000
74 -13.3611 1.00000
75 -13.2827 1.00000
76 -13.2567 1.00000
77 -13.1626 1.00000
78 -13.1626 1.00000
79 -13.1582 1.00000
80 -13.1582 1.00000
81 -13.1354 1.00000
82 -13.1354 1.00000
83 -13.1022 1.00000
84 -13.1013 1.00000
85 -13.1013 1.00000
86 -13.0646 1.00000
87 -13.0177 1.00000
88 -12.9726 1.00000
89 -12.9202 1.00000
90 -12.9094 1.00000
91 -12.8965 1.00000
92 -12.8965 1.00000
93 -12.8785 1.00000
94 -12.8785 1.00000
95 -12.8223 1.00000
96 -12.8035 1.00000
97 -1.4501 1.00000
98 -1.4362 1.00000
99 -1.4362 1.00000
100 -1.4353 1.00000
101 -1.4097 1.00000
102 -1.4097 1.00000
103 -1.3349 1.00000
104 -1.2933 1.00000
105 -0.9361 1.00000
106 -0.9358 1.00000
107 -0.8118 1.00000
108 -0.8118 1.00000
109 -0.8107 1.00000
110 -0.8078 1.00000
111 -0.8078 1.00000
112 -0.8018 1.00000
113 -0.6874 1.00000
114 -0.5949 1.00000
115 -0.5936 1.00000
116 -0.5936 1.00000
117 -0.5227 1.00000
118 -0.4914 1.00000
119 -0.4900 1.00000
120 -0.4470 1.00000
121 -0.4470 1.00000
122 -0.4404 1.00000
123 -0.4104 1.00000
124 -0.4104 1.00000
125 -0.4075 1.00000
126 -0.4075 1.00000
127 -0.3287 1.00000
128 -0.2981 1.00000
129 -0.1699 1.00000
130 -0.1672 1.00000
131 -0.1215 1.00000
132 -0.0851 1.00000
133 -0.0733 1.00000
134 -0.0733 1.00000
135 -0.0431 1.00000
136 -0.0431 1.00000
137 -0.0197 1.00000
138 0.0945 1.00000
139 0.4549 1.00000
140 0.5175 1.00000
141 0.5260 1.00000
142 0.5260 1.00000
143 0.6343 1.00000
144 0.6343 1.00000
145 0.7717 1.00000
146 0.7993 1.00000
147 0.9429 1.00000
148 0.9429 1.00000
149 1.0166 1.00000
150 1.0166 1.00000
151 1.1435 1.00000
152 1.1975 1.00000
153 1.3372 1.00000
154 1.3372 1.00000
155 1.3591 1.00000
156 1.3591 1.00000
157 1.3700 1.00000
158 1.4085 1.00000
159 1.6127 1.00000
160 1.6352 1.00000
161 1.7224 1.00000
162 1.7224 1.00000
163 1.7388 1.00000
164 1.7603 1.00000
165 1.8162 1.00000
166 1.8162 1.00000
167 1.8232 1.00000
168 1.8512 1.00000
169 1.9617 1.00000
170 1.9617 1.00000
171 1.9692 1.00000
172 1.9692 1.00000
173 2.0447 1.00000
174 2.1367 1.00000
175 2.3551 1.00000
176 2.3722 1.00000
177 2.4230 1.00000
178 2.4565 1.00000
179 2.4797 1.00000
180 2.4797 1.00000
181 2.4935 1.00000
182 2.4935 1.00000
183 2.6322 1.00000
184 2.6463 1.00000
185 2.6463 1.00000
186 2.6463 1.00000
187 2.6463 1.00000
188 2.6839 1.00000
189 2.7536 1.00000
190 2.7926 1.00000
191 2.9477 1.00000
192 2.9557 1.00000
193 5.8085 0.00000
194 5.8190 0.00000
195 5.9415 0.00000
196 5.9556 0.00000
197 6.1324 0.00000
198 6.1324 0.00000
199 6.1415 0.00000
200 6.1415 0.00000
201 6.2586 0.00000
202 6.2804 0.00000
203 6.2883 0.00000
204 6.2883 0.00000
205 6.3025 0.00000
206 6.3025 0.00000
207 6.4271 0.00000
208 6.4721 0.00000
209 6.5010 0.00000
210 6.5078 0.00000
211 6.5307 0.00000
212 6.5760 0.00000
213 6.5768 0.00000
214 6.5768 0.00000
215 6.5839 0.00000
216 6.5839 0.00000
217 6.6527 0.00000
218 6.6624 0.00000
219 6.6634 0.00000
220 6.6952 0.00000
221 6.7014 0.00000
222 6.7014 0.00000
223 6.7171 0.00000
224 6.7171 0.00000
225 6.8856 0.00000
226 6.8940 0.00000
227 6.9317 0.00000
228 6.9632 0.00000
229 7.0404 0.00000
230 7.0404 0.00000
231 7.0814 0.00000
232 7.0814 0.00000
233 7.3098 0.00000
234 7.3098 0.00000
235 7.3431 0.00000
236 7.3431 0.00000
237 7.5729 0.00000
238 7.5929 0.00000
239 7.6363 0.00000
240 7.6684 0.00000
241 8.2088 0.00000
242 8.2297 0.00000
243 8.5022 0.00000
244 8.5022 0.00000
245 8.5075 0.00000
246 8.5075 0.00000
247 8.7312 0.00000
248 8.8027 0.00000
249 8.9071 0.00000
250 8.9869 0.00000
251 8.9904 0.00000
252 8.9978 0.00000
253 9.2889 0.00000
254 9.2894 0.00000
255 9.3860 0.00000
256 9.3917 0.00000
k-point 17 : 0.4167 0.2500 0.4167
band No. band energies occupation
1 -53.3408 1.00000
2 -53.3386 1.00000
3 -53.3368 1.00000
4 -53.3352 1.00000
5 -53.3343 1.00000
6 -53.3320 1.00000
7 -53.3316 1.00000
8 -53.3294 1.00000
9 -53.3133 1.00000
10 -53.3118 1.00000
11 -53.3111 1.00000
12 -53.3104 1.00000
13 -53.3099 1.00000
14 -53.3095 1.00000
15 -53.3070 1.00000
16 -53.3058 1.00000
17 -29.7491 1.00000
18 -29.7490 1.00000
19 -29.7467 1.00000
20 -29.7440 1.00000
21 -29.7390 1.00000
22 -29.7378 1.00000
23 -29.7279 1.00000
24 -29.7200 1.00000
25 -29.6922 1.00000
26 -29.6861 1.00000
27 -29.6775 1.00000
28 -29.6720 1.00000
29 -29.6487 1.00000
30 -29.6419 1.00000
31 -29.6244 1.00000
32 -29.6164 1.00000
33 -29.6013 1.00000
34 -29.6011 1.00000
35 -29.5919 1.00000
36 -29.5910 1.00000
37 -29.5802 1.00000
38 -29.5797 1.00000
39 -29.5773 1.00000
40 -29.5771 1.00000
41 -29.5662 1.00000
42 -29.5651 1.00000
43 -29.5507 1.00000
44 -29.5497 1.00000
45 -29.5296 1.00000
46 -29.5278 1.00000
47 -29.5195 1.00000
48 -29.5162 1.00000
49 -29.4874 1.00000
50 -29.4860 1.00000
51 -29.4824 1.00000
52 -29.4823 1.00000
53 -29.4817 1.00000
54 -29.4786 1.00000
55 -29.4786 1.00000
56 -29.4743 1.00000
57 -29.4609 1.00000
58 -29.4557 1.00000
59 -29.4490 1.00000
60 -29.4481 1.00000
61 -29.4453 1.00000
62 -29.4430 1.00000
63 -29.4410 1.00000
64 -29.4408 1.00000
65 -14.0652 1.00000
66 -13.9782 1.00000
67 -13.9539 1.00000
68 -13.8846 1.00000
69 -13.7254 1.00000
70 -13.6802 1.00000
71 -13.5567 1.00000
72 -13.5091 1.00000
73 -13.3925 1.00000
74 -13.3130 1.00000
75 -13.2804 1.00000
76 -13.2375 1.00000
77 -13.2172 1.00000
78 -13.2137 1.00000
79 -13.1930 1.00000
80 -13.1756 1.00000
81 -13.1427 1.00000
82 -13.1272 1.00000
83 -13.1168 1.00000
84 -13.0894 1.00000
85 -13.0563 1.00000
86 -13.0528 1.00000
87 -12.9808 1.00000
88 -12.9803 1.00000
89 -12.9716 1.00000
90 -12.9403 1.00000
91 -12.9314 1.00000
92 -12.9006 1.00000
93 -12.8796 1.00000
94 -12.8594 1.00000
95 -12.8520 1.00000
96 -12.8298 1.00000
97 -1.4467 1.00000
98 -1.4395 1.00000
99 -1.4315 1.00000
100 -1.4170 1.00000
101 -1.3846 1.00000
102 -1.3664 1.00000
103 -1.2930 1.00000
104 -1.2555 1.00000
105 -1.1799 1.00000
106 -1.1708 1.00000
107 -1.1013 1.00000
108 -1.0836 1.00000
109 -0.8381 1.00000
110 -0.8309 1.00000
111 -0.8245 1.00000
112 -0.8202 1.00000
113 -0.6473 1.00000
114 -0.6150 1.00000
115 -0.5867 1.00000
116 -0.5750 1.00000
117 -0.4737 1.00000
118 -0.4625 1.00000
119 -0.4463 1.00000
120 -0.4345 1.00000
121 -0.3769 1.00000
122 -0.3650 1.00000
123 -0.3627 1.00000
124 -0.3374 1.00000
125 -0.3002 1.00000
126 -0.2988 1.00000
127 -0.2776 1.00000
128 -0.2715 1.00000
129 -0.1289 1.00000
130 -0.0969 1.00000
131 -0.0967 1.00000
132 -0.0585 1.00000
133 -0.0048 1.00000
134 0.1185 1.00000
135 0.2239 1.00000
136 0.3393 1.00000
137 0.3530 1.00000
138 0.3542 1.00000
139 0.5141 1.00000
140 0.5350 1.00000
141 0.5531 1.00000
142 0.5779 1.00000
143 0.6015 1.00000
144 0.6158 1.00000
145 0.6217 1.00000
146 0.7046 1.00000
147 0.7433 1.00000
148 0.7460 1.00000
149 1.0393 1.00000
150 1.0410 1.00000
151 1.0667 1.00000
152 1.1665 1.00000
153 1.1799 1.00000
154 1.1897 1.00000
155 1.2510 1.00000
156 1.3788 1.00000
157 1.4071 1.00000
158 1.4458 1.00000
159 1.4542 1.00000
160 1.5088 1.00000
161 1.5234 1.00000
162 1.5365 1.00000
163 1.6580 1.00000
164 1.6763 1.00000
165 1.7012 1.00000
166 1.7128 1.00000
167 1.8321 1.00000
168 1.8562 1.00000
169 2.0494 1.00000
170 2.0885 1.00000
171 2.1366 1.00000
172 2.1537 1.00000
173 2.1658 1.00000
174 2.2048 1.00000
175 2.2490 1.00000
176 2.2970 1.00000
177 2.4627 1.00000
178 2.4794 1.00000
179 2.4810 1.00000
180 2.4948 1.00000
181 2.5024 1.00000
182 2.5082 1.00000
183 2.5336 1.00000
184 2.5580 1.00000
185 2.7142 1.00000
186 2.7257 1.00000
187 2.7409 1.00000
188 2.7887 1.00000
189 2.7962 1.00000
190 2.8117 1.00000
191 2.9026 1.00000
192 2.9208 1.00000
193 5.9575 0.00000
194 5.9713 0.00000
195 6.0410 0.00000
196 6.0431 0.00000
197 6.0858 0.00000
198 6.1044 0.00000
199 6.1384 0.00000
200 6.1406 0.00000
201 6.1491 0.00000
202 6.1562 0.00000
203 6.2530 0.00000
204 6.2630 0.00000
205 6.2647 0.00000
206 6.2649 0.00000
207 6.3327 0.00000
208 6.3602 0.00000
209 6.3637 0.00000
210 6.4199 0.00000
211 6.4759 0.00000
212 6.4883 0.00000
213 6.5251 0.00000
214 6.5591 0.00000
215 6.5749 0.00000
216 6.5812 0.00000
217 6.6482 0.00000
218 6.6493 0.00000
219 6.6548 0.00000
220 6.6686 0.00000
221 6.6763 0.00000
222 6.6817 0.00000
223 6.6818 0.00000
224 6.7107 0.00000
225 6.7278 0.00000
226 6.7522 0.00000
227 6.7812 0.00000
228 6.8097 0.00000
229 7.0428 0.00000
230 7.0679 0.00000
231 7.1729 0.00000
232 7.1890 0.00000
233 7.2139 0.00000
234 7.2187 0.00000
235 7.3230 0.00000
236 7.3735 0.00000
237 7.3751 0.00000
238 7.4015 0.00000
239 7.4726 0.00000
240 7.5168 0.00000
241 8.3161 0.00000
242 8.3298 0.00000
243 8.4053 0.00000
244 8.4145 0.00000
245 8.6929 0.00000
246 8.6955 0.00000
247 8.8400 0.00000
248 8.8467 0.00000
249 8.9777 0.00000
250 9.0667 0.00000
251 9.1541 0.00000
252 9.1835 0.00000
253 9.2433 0.00000
254 9.2636 0.00000
255 9.3413 0.00000
256 9.3781 0.00000
k-point 18 : 0.4167 0.4167 0.4167
band No. band energies occupation
1 -53.3390 1.00000
2 -53.3367 1.00000
3 -53.3367 1.00000
4 -53.3353 1.00000
5 -53.3342 1.00000
6 -53.3335 1.00000
7 -53.3335 1.00000
8 -53.3313 1.00000
9 -53.3123 1.00000
10 -53.3113 1.00000
11 -53.3113 1.00000
12 -53.3105 1.00000
13 -53.3094 1.00000
14 -53.3080 1.00000
15 -53.3080 1.00000
16 -53.3067 1.00000
17 -29.7483 1.00000
18 -29.7473 1.00000
19 -29.7473 1.00000
20 -29.7453 1.00000
21 -29.7339 1.00000
22 -29.7301 1.00000
23 -29.7301 1.00000
24 -29.7239 1.00000
25 -29.6764 1.00000
26 -29.6686 1.00000
27 -29.6598 1.00000
28 -29.6598 1.00000
29 -29.6520 1.00000
30 -29.6520 1.00000
31 -29.6394 1.00000
32 -29.6306 1.00000
33 -29.5983 1.00000
34 -29.5978 1.00000
35 -29.5911 1.00000
36 -29.5911 1.00000
37 -29.5898 1.00000
38 -29.5898 1.00000
39 -29.5879 1.00000
40 -29.5860 1.00000
41 -29.5554 1.00000
42 -29.5538 1.00000
43 -29.5420 1.00000
44 -29.5420 1.00000
45 -29.5400 1.00000
46 -29.5400 1.00000
47 -29.5305 1.00000
48 -29.5276 1.00000
49 -29.4868 1.00000
50 -29.4849 1.00000
51 -29.4849 1.00000
52 -29.4822 1.00000
53 -29.4814 1.00000
54 -29.4798 1.00000
55 -29.4798 1.00000
56 -29.4770 1.00000
57 -29.4556 1.00000
58 -29.4517 1.00000
59 -29.4517 1.00000
60 -29.4493 1.00000
61 -29.4416 1.00000
62 -29.4400 1.00000
63 -29.4400 1.00000
64 -29.4392 1.00000
65 -13.9518 1.00000
66 -13.8683 1.00000
67 -13.8263 1.00000
68 -13.8263 1.00000
69 -13.7558 1.00000
70 -13.7558 1.00000
71 -13.6793 1.00000
72 -13.6128 1.00000
73 -13.3362 1.00000
74 -13.2598 1.00000
75 -13.2486 1.00000
76 -13.2486 1.00000
77 -13.1996 1.00000
78 -13.1867 1.00000
79 -13.1867 1.00000
80 -13.1814 1.00000
81 -13.1579 1.00000
82 -13.1425 1.00000
83 -13.1212 1.00000
84 -13.1212 1.00000
85 -13.1044 1.00000
86 -13.1044 1.00000
87 -13.0462 1.00000
88 -13.0308 1.00000
89 -12.9528 1.00000
90 -12.9138 1.00000
91 -12.9114 1.00000
92 -12.9114 1.00000
93 -12.8798 1.00000
94 -12.8793 1.00000
95 -12.8793 1.00000
96 -12.8497 1.00000
97 -1.4334 1.00000
98 -1.4230 1.00000
99 -1.3865 1.00000
100 -1.3865 1.00000
101 -1.3814 1.00000
102 -1.3814 1.00000
103 -1.2684 1.00000
104 -1.2354 1.00000
105 -1.2304 1.00000
106 -1.2287 1.00000
107 -1.1053 1.00000
108 -1.1053 1.00000
109 -1.0826 1.00000
110 -1.0826 1.00000
111 -1.0652 1.00000
112 -1.0366 1.00000
113 -0.6019 1.00000
114 -0.5842 1.00000
115 -0.5834 1.00000
116 -0.5834 1.00000
117 -0.4320 1.00000
118 -0.4001 1.00000
119 -0.4001 1.00000
120 -0.3826 1.00000
121 -0.2964 1.00000
122 -0.2869 1.00000
123 -0.2869 1.00000
124 -0.2740 1.00000
125 -0.2337 1.00000
126 -0.2311 1.00000
127 -0.2311 1.00000
128 -0.2100 1.00000
129 0.0094 1.00000
130 0.1177 1.00000
131 0.1938 1.00000
132 0.1938 1.00000
133 0.2528 1.00000
134 0.2528 1.00000
135 0.3560 1.00000
136 0.3758 1.00000
137 0.4015 1.00000
138 0.4139 1.00000
139 0.5001 1.00000
140 0.5001 1.00000
141 0.5308 1.00000
142 0.5308 1.00000
143 0.6101 1.00000
144 0.6770 1.00000
145 0.6787 1.00000
146 0.6917 1.00000
147 0.8593 1.00000
148 0.8593 1.00000
149 0.9160 1.00000
150 0.9160 1.00000
151 0.9468 1.00000
152 0.9713 1.00000
153 1.1066 1.00000
154 1.1662 1.00000
155 1.1913 1.00000
156 1.1913 1.00000
157 1.2262 1.00000
158 1.2262 1.00000
159 1.3021 1.00000
160 1.3727 1.00000
161 1.5295 1.00000
162 1.5940 1.00000
163 1.5995 1.00000
164 1.5995 1.00000
165 1.6915 1.00000
166 1.6955 1.00000
167 1.6955 1.00000
168 1.8328 1.00000
169 2.1191 1.00000
170 2.1508 1.00000
171 2.1508 1.00000
172 2.2166 1.00000
173 2.2166 1.00000
174 2.2400 1.00000
175 2.2922 1.00000
176 2.3489 1.00000
177 2.4005 1.00000
178 2.4315 1.00000
179 2.4394 1.00000
180 2.4394 1.00000
181 2.4499 1.00000
182 2.4847 1.00000
183 2.5028 1.00000
184 2.5028 1.00000
185 2.8323 1.00000
186 2.8603 1.00000
187 2.8603 1.00000
188 2.8634 1.00000
189 2.8634 1.00000
190 2.8741 1.00000
191 2.9070 1.00000
192 2.9267 1.00000
193 5.9836 0.00000
194 5.9983 0.00000
195 6.0114 0.00000
196 6.0114 0.00000
197 6.0284 0.00000
198 6.0284 0.00000
199 6.0480 0.00000
200 6.0658 0.00000
201 6.2402 0.00000
202 6.2616 0.00000
203 6.2616 0.00000
204 6.2819 0.00000
205 6.2819 0.00000
206 6.2875 0.00000
207 6.3039 0.00000
208 6.3092 0.00000
209 6.3673 0.00000
210 6.3848 0.00000
211 6.4139 0.00000
212 6.4464 0.00000
213 6.4464 0.00000
214 6.4782 0.00000
215 6.4782 0.00000
216 6.5117 0.00000
217 6.6154 0.00000
218 6.6171 0.00000
219 6.6173 0.00000
220 6.6245 0.00000
221 6.6245 0.00000
222 6.6374 0.00000
223 6.6379 0.00000
224 6.6379 0.00000
225 6.7915 0.00000
226 6.8255 0.00000
227 6.9435 0.00000
228 6.9435 0.00000
229 6.9869 0.00000
230 6.9869 0.00000
231 6.9929 0.00000
232 7.0653 0.00000
233 7.1572 0.00000
234 7.1596 0.00000
235 7.1596 0.00000
236 7.1937 0.00000
237 7.2229 0.00000
238 7.2229 0.00000
239 7.3054 0.00000
240 7.3645 0.00000
241 8.4661 0.00000
242 8.4710 0.00000
243 8.5797 0.00000
244 8.5797 0.00000
245 8.5803 0.00000
246 8.5803 0.00000
247 8.7099 0.00000
248 8.7132 0.00000
249 9.1472 0.00000
250 9.2528 0.00000
251 9.2789 0.00000
252 9.2789 0.00000
253 9.3776 0.00000
254 9.3983 0.00000
255 9.3985 0.00000
256 9.5015 0.00000
--------------------------------------------------------------------------------------------------------
soft charge-density along one line, spin component 1
0 1 2 3 4 5 6 7 8 9
total charge-density along one line
soft charge-density along one line, spin component 2
0 1 2 3 4 5 6 7 8 9
total charge-density along one line
pseudopotential strength for first ion, spin component: 1
-3.220 -22.293 -0.000 -0.000 0.000 0.000 0.000 -0.000
-22.293 9.920 -0.000 -0.000 0.000 -0.000 -0.000 0.000
-0.000 -0.000 -25.565 -0.000 0.000 9.264 0.000 -0.000
-0.000 -0.000 -0.000 -25.584 -0.000 0.000 9.277 0.000
0.000 0.000 0.000 -0.000 -25.565 -0.000 0.000 9.264
0.000 -0.000 9.264 0.000 -0.000 5.541 -0.000 0.000
0.000 -0.000 0.000 9.277 0.000 -0.000 5.536 -0.000
-0.000 0.000 -0.000 0.000 9.264 0.000 -0.000 5.541
0.000 0.000 -0.000 -0.000 0.000 0.000 0.000 -0.000
-0.000 -0.000 -0.006 0.000 -0.000 0.003 -0.000 0.000
-0.008 -0.002 0.000 -0.000 -0.000 -0.000 0.000 0.000
-0.000 -0.000 -0.000 -0.000 0.006 0.000 0.000 -0.003
0.000 0.000 0.000 0.006 0.000 -0.000 -0.003 -0.000
0.000 0.000 -0.000 -0.000 0.000 0.000 0.000 -0.000
-0.000 -0.000 -0.007 0.000 -0.000 0.003 -0.000 0.000
-0.010 -0.003 0.000 -0.000 -0.000 -0.000 0.000 0.000
-0.000 -0.000 -0.000 -0.000 0.007 0.000 0.000 -0.003
0.000 0.000 0.000 0.007 0.000 -0.000 -0.003 -0.000
pseudopotential strength for first ion, spin component: 2
-3.220 -22.293 -0.000 -0.000 0.000 0.000 0.000 -0.000
-22.293 9.920 -0.000 -0.000 0.000 -0.000 -0.000 0.000
-0.000 -0.000 -25.565 -0.000 0.000 9.264 0.000 -0.000
-0.000 -0.000 -0.000 -25.584 -0.000 0.000 9.277 0.000
0.000 0.000 0.000 -0.000 -25.565 -0.000 0.000 9.264
0.000 -0.000 9.264 0.000 -0.000 5.541 -0.000 0.000
0.000 -0.000 0.000 9.277 0.000 -0.000 5.536 -0.000
-0.000 0.000 -0.000 0.000 9.264 0.000 -0.000 5.541
0.000 0.000 -0.000 -0.000 0.000 0.000 0.000 -0.000
-0.000 -0.000 -0.006 0.000 -0.000 0.003 -0.000 0.000
-0.008 -0.002 0.000 -0.000 -0.000 -0.000 0.000 0.000
-0.000 -0.000 -0.000 -0.000 0.006 0.000 0.000 -0.003
0.000 0.000 0.000 0.006 0.000 -0.000 -0.003 -0.000
0.000 0.000 -0.000 -0.000 0.000 0.000 0.000 -0.000
-0.000 -0.000 -0.007 0.000 -0.000 0.003 -0.000 0.000
-0.010 -0.003 0.000 -0.000 -0.000 -0.000 0.000 0.000
-0.000 -0.000 -0.000 -0.000 0.007 0.000 0.000 -0.003
0.000 0.000 0.000 0.007 0.000 -0.000 -0.003 -0.000
total augmentation occupancy for first ion, spin component: 1
1.990 -0.109 0.000 -0.000 0.000 0.000 0.000 0.000 0.000 0.000 -0.002 -0.000 0.000 0.000 -0.000 0.003
-0.109 1.471 0.000 0.000 0.000 0.000 -0.000 0.000 0.000 0.000 -0.071 0.000 -0.000 0.000 -0.000 0.054
0.000 0.000 1.968 -0.000 0.000 -0.071 0.000 0.000 -0.000 0.029 0.000 -0.000 0.000 0.000 -0.027 -0.000
-0.000 0.000 -0.000 1.968 0.000 0.000 -0.070 0.000 0.000 0.000 0.000 0.000 -0.029 -0.000 -0.000 -0.000
0.000 0.000 0.000 0.000 1.968 0.000 -0.000 -0.071 0.000 0.000 -0.000 -0.029 0.000 -0.000 0.000 0.000
0.000 0.000 -0.071 0.000 0.000 0.194 -0.000 0.000 0.000 0.283 0.000 0.000 -0.000 0.000 -0.183 -0.000
0.000 0.000 0.000 -0.070 -0.000 -0.000 0.186 -0.000 -0.000 0.000 -0.000 -0.000 -0.213 0.000 0.000 0.000
0.000 0.000 0.000 0.000 -0.071 0.000 -0.000 0.194 -0.000 -0.000 -0.000 -0.283 -0.000 -0.000 0.000 -0.000
0.000 0.000 -0.000 0.000 0.000 0.000 -0.000 -0.000 2.192 -0.000 0.000 -0.000 0.000 -1.170 0.000 -0.000
0.000 0.000 0.029 0.000 0.000 0.283 0.000 -0.000 -0.000 2.815 -0.000 -0.000 0.000 0.000 -1.663 0.000
-0.002 -0.071 0.000 -0.000 -0.000 0.000 0.000 -0.000 0.000 -0.000 7.431 0.000 -0.000 -0.000 -0.000 -4.667
-0.000 0.000 -0.000 0.000 -0.029 0.000 -0.000 -0.283 -0.000 -0.000 0.000 2.815 -0.000 0.000 -0.000 0.000
0.000 -0.000 0.000 -0.029 0.000 -0.000 -0.213 -0.000 0.000 0.000 0.000 -0.000 8.180 -0.000 -0.000 -0.000
0.000 0.000 0.000 -0.000 -0.000 0.000 0.000 -0.000 -1.170 0.000 -0.000 0.000 -0.000 0.630 0.000 0.000
-0.000 -0.000 -0.027 -0.000 0.000 -0.183 0.000 0.000 0.000 -1.663 -0.000 -0.000 -0.000 0.000 1.002 0.000
0.003 0.054 -0.000 0.000 0.000 -0.000 -0.000 -0.000 -0.000 0.000 -4.667 0.000 0.000 0.000 0.000 2.993
-0.000 -0.000 0.000 0.000 0.027 0.000 -0.000 0.183 0.000 -0.000 0.000 -1.663 0.000 -0.000 0.000 0.000
0.000 -0.000 -0.000 0.026 0.000 -0.000 0.149 -0.000 0.000 0.000 -0.000 0.000 -5.228 -0.000 -0.000 0.000
total augmentation occupancy for first ion, spin component: 2
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -0.000 -0.000 -0.000 0.000 -0.000 -0.000 0.000 0.000
0.000 -0.000 0.000 0.000 0.000 0.000 0.000 0.000 -0.000 -0.000 -0.000 -0.000 0.000 -0.000 -0.000 0.000
0.000 0.000 -0.000 0.000 0.000 -0.000 -0.000 0.000 0.000 0.000 -0.000 -0.000 0.000 -0.000 -0.000 -0.000
0.000 0.000 0.000 -0.000 0.000 0.000 -0.000 0.000 -0.000 -0.000 -0.000 0.000 -0.000 0.000 0.000 0.000
0.000 0.000 0.000 0.000 -0.000 0.000 0.000 -0.000 0.000 -0.000 0.000 -0.000 -0.000 0.000 -0.000 -0.000
0.000 0.000 -0.000 0.000 0.000 -0.000 -0.000 0.000 0.000 -0.000 0.000 -0.000 -0.000 -0.000 -0.000 0.000
0.000 0.000 -0.000 -0.000 0.000 -0.000 0.000 -0.000 -0.000 0.000 0.000 0.000 -0.000 0.000 -0.000 0.000
0.000 0.000 0.000 0.000 -0.000 0.000 -0.000 -0.000 0.000 -0.000 -0.000 0.000 0.000 -0.000 0.000 -0.000
-0.000 -0.000 0.000 -0.000 0.000 0.000 -0.000 0.000 -0.000 -0.000 0.000 -0.000 0.000 0.000 0.000 -0.000
-0.000 -0.000 0.000 -0.000 -0.000 -0.000 0.000 -0.000 -0.000 -0.000 0.000 -0.000 0.000 0.000 0.000 0.000
-0.000 -0.000 -0.000 -0.000 0.000 0.000 0.000 -0.000 0.000 0.000 -0.000 0.000 -0.000 -0.000 0.000 0.000
0.000 -0.000 -0.000 0.000 -0.000 -0.000 0.000 0.000 -0.000 -0.000 0.000 -0.000 -0.000 -0.000 -0.000 -0.000
-0.000 0.000 0.000 -0.000 -0.000 -0.000 -0.000 0.000 0.000 0.000 -0.000 -0.000 -0.000 0.000 0.000 -0.000
-0.000 -0.000 -0.000 0.000 0.000 -0.000 0.000 -0.000 0.000 0.000 -0.000 -0.000 0.000 -0.000 0.000 0.000
0.000 -0.000 -0.000 0.000 -0.000 -0.000 -0.000 0.000 0.000 0.000 0.000 -0.000 0.000 0.000 -0.000 0.000
0.000 0.000 -0.000 0.000 -0.000 0.000 0.000 -0.000 -0.000 0.000 0.000 -0.000 -0.000 0.000 0.000 -0.000
-0.000 0.000 0.000 0.000 0.000 -0.000 -0.000 0.000 0.000 -0.000 0.000 0.000 0.000 0.000 -0.000 -0.000
0.000 -0.000 0.000 0.000 -0.000 -0.000 0.000 -0.000 -0.000 0.000 0.000 0.000 0.000 0.000 0.000 -0.000
------------------------ aborting loop because EDIFF is reached ----------------------------------------
CHARGE: cpu time 1.8097: real time 1.8105
FORLOC: cpu time 0.0247: real time 0.0247
FORNL : cpu time 20.1953: real time 20.2003
STRESS: cpu time 31.4269: real time 31.4417
FORCOR: cpu time 0.1776: real time 0.1794
FORHAR: cpu time 0.0355: real time 0.0355
MIXING: cpu time 0.0054: real time 0.0054
OFIELD: cpu time 0.0001: real time 0.0001
FORCE on cell =-STRESS in cart. coord. units (eV):
Direction XX YY ZZ XY YZ ZX
--------------------------------------------------------------------------------------
Alpha Z 1414.65768 1414.65768 1414.65768
Ewald -9836.97790 -9836.97790 -6636.51846 -0.00000 -0.00000 -0.00000
Hartree 3200.45333 3200.45333 5318.94384 -0.00000 -0.00000 -0.00000
E(xc) -1975.69622 -1975.69622 -1974.45658 0.00000 0.00000 -0.00000
Local 237.55792 237.55792 -5056.27958 0.00000 -0.00000 0.00000
n-local -1264.60929 -1262.58606 -1266.20981 0.20570 0.11984 0.11170
augment 1164.17548 1164.17548 1161.47603 -0.00000 0.00000 0.00000
Kinetic 7065.20980 7053.11789 7039.06969 -0.54044 -0.20883 -0.19974
Fock 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000
-------------------------------------------------------------------------------------
Total -0.2635253 -0.2635253 0.6828221 0.0000000 -0.0000000 0.0000000
in kB -0.7526183 -0.7526183 1.9501140 0.0000000 -0.0000000 0.0000000
external PRESSURE = 0.1482925 kB Pullay stress = 0.0000000 kB
VOLUME and BASIS-vectors are now :
-----------------------------------------------------------------------------
energy-cutoff : 550.00
volume of cell : 560.99
direct lattice vectors reciprocal lattice vectors
7.615673554 0.000000000 0.000000000 0.131308149 0.000000000 0.000000000
0.000000000 7.615673554 0.000000000 0.000000000 0.131308149 0.000000000
0.000000000 -0.000000000 9.672561145 0.000000000 0.000000000 0.103385234
length of vectors
7.615673554 7.615673554 9.672561145 0.131308149 0.131308149 0.103385234
FORCES acting on ions
electron-ion (+dipol) ewald-force non-local-force convergence-correction
-----------------------------------------------------------------------------------------------
0.340E-12 0.287E-11 -.162E-11 0.680E-13 0.128E-12 0.924E-13 -.183E-18 -.217E-18 -.156E-16 0.366E-12 0.830E-13 -.622E-12
0.326E-12 0.179E-12 0.141E-12 0.586E-13 -.142E-13 -.213E-13 0.183E-18 -.949E-19 0.434E-18 0.423E-12 -.626E-13 -.793E-12
0.114E-12 -.119E-12 -.447E-12 -.284E-13 -.782E-13 0.284E-13 0.678E-20 0.813E-19 0.651E-17 -.327E-12 -.262E-12 0.818E-12
-.578E-13 0.537E-12 0.282E-12 0.462E-13 0.256E-13 0.110E-12 0.176E-18 0.678E-19 0.121E-16 -.415E-12 -.215E-13 0.103E-11
0.887E-12 -.189E-10 -.870E-12 0.259E-13 -.650E-13 -.213E-13 -.881E-19 0.813E-19 0.607E-17 -.532E-12 0.144E-12 -.124E-11
0.934E-12 0.239E-12 -.260E-10 0.708E-13 0.924E-13 -.586E-13 -.678E-19 0.142E-18 -.130E-16 -.171E-12 -.113E-12 -.694E-12
0.580E-12 -.597E-13 -.595E-11 0.178E-13 0.711E-13 0.142E-13 0.136E-18 -.339E-19 0.130E-17 -.437E-12 -.250E-12 0.486E-12
0.560E-12 0.555E-11 -.181E-11 -.178E-13 -.286E-13 0.231E-13 0.610E-19 -.129E-18 -.217E-17 0.587E-13 -.159E-13 0.156E-11
0.381E-12 -.263E-11 -.183E-11 -.112E-13 0.463E-13 0.142E-13 0.244E-18 0.271E-19 0.651E-17 0.324E-12 -.797E-13 -.684E-12
0.331E-12 0.508E-11 0.221E-11 0.730E-13 0.835E-13 0.888E-14 0.610E-19 -.677E-20 -.824E-17 0.420E-12 -.209E-12 -.688E-12
0.960E-13 0.299E-12 -.447E-12 -.533E-13 0.124E-12 -.568E-13 -.129E-18 -.813E-19 0.434E-18 -.254E-12 0.236E-12 0.723E-12
-.555E-13 0.113E-11 0.376E-12 0.284E-13 -.108E-13 -.142E-13 0.136E-19 -.264E-18 -.607E-17 -.439E-12 -.166E-12 0.580E-12
0.850E-12 -.794E-11 0.141E-12 -.368E-13 0.891E-13 0.853E-13 -.542E-19 -.474E-19 0.113E-16 -.482E-12 -.519E-13 -.134E-11
0.913E-12 0.161E-11 -.123E-10 0.321E-13 -.959E-13 0.178E-14 0.339E-19 0.678E-19 0.173E-17 -.173E-12 -.240E-12 -.650E-12
0.625E-12 -.478E-11 -.346E-11 -.178E-13 -.426E-13 -.426E-13 0.000E+00 0.190E-18 0.434E-17 -.510E-12 0.226E-12 0.414E-12
0.565E-12 0.657E-11 -.484E-11 -.284E-13 0.853E-13 -.568E-13 -.678E-19 -.678E-19 -.108E-16 0.926E-13 -.200E-12 0.111E-11
-.104E-12 -.597E-13 -.981E+02 0.586E-13 -.444E-14 0.105E+03 -.157E-19 -.156E-18 -.667E+01 0.225E-14 0.249E-13 0.309E-03
0.112E-12 0.717E-12 -.981E+02 0.590E-14 0.289E-13 0.105E+03 0.813E-19 0.764E-20 -.667E+01 0.237E-12 0.193E-12 0.309E-03
0.132E-12 0.598E-13 0.981E+02 0.784E-14 -.497E-13 -.105E+03 0.678E-19 -.129E-20 0.667E+01 0.205E-12 0.127E-12 -.309E-03
0.676E-13 0.597E-13 0.981E+02 0.346E-13 0.240E-13 -.105E+03 -.311E-19 0.339E-19 0.667E+01 0.126E-12 -.980E-13 -.309E-03
0.122E-12 0.597E-13 -.981E+02 0.368E-15 0.195E-13 0.105E+03 -.233E-20 0.271E-19 -.667E+01 0.366E-13 -.124E-12 0.309E-03
-.238E-13 0.596E-13 -.981E+02 0.213E-13 0.426E-13 0.105E+03 -.108E-18 -.337E-20 -.667E+01 -.288E-12 0.242E-13 0.309E-03
0.350E-13 -.119E-12 0.981E+02 0.222E-13 -.985E-14 -.105E+03 -.136E-19 0.826E-21 0.667E+01 -.140E-12 0.843E-13 -.309E-03
0.971E-13 -.149E-11 0.981E+02 -.457E-13 0.157E-13 -.105E+03 0.108E-19 -.136E-19 0.667E+01 0.170E-13 -.134E-13 -.309E-03
0.217E-12 -.233E-11 -.981E+02 -.320E-13 0.372E-13 0.105E+03 0.184E-19 0.813E-19 -.667E+01 0.618E-13 0.164E-13 0.309E-03
0.345E-12 0.716E-12 -.981E+02 0.805E-14 0.198E-13 0.105E+03 -.542E-19 -.167E-20 -.667E+01 -.250E-12 0.216E-12 0.309E-03
0.364E-12 0.102E-15 0.981E+02 0.172E-14 -.426E-13 -.105E+03 0.271E-19 -.868E-21 0.667E+01 -.308E-12 0.241E-12 -.309E-03
0.103E-12 0.597E-13 0.981E+02 -.515E-13 -.977E-14 -.105E+03 0.163E-19 -.176E-18 0.667E+01 -.306E-12 -.873E-13 -.309E-03
0.146E-12 0.328E-16 -.981E+02 0.143E-13 -.213E-13 0.105E+03 0.227E-19 0.203E-19 -.667E+01 0.331E-12 -.205E-12 0.309E-03
0.277E-12 -.131E-15 -.981E+02 -.142E-13 0.355E-13 0.105E+03 -.108E-18 -.167E-20 -.667E+01 0.629E-13 0.584E-13 0.309E-03
0.308E-12 0.598E-13 0.981E+02 0.178E-13 -.876E-13 -.105E+03 0.000E+00 0.548E-20 0.667E+01 -.190E-12 0.824E-13 -.309E-03
0.237E-12 0.549E-11 0.981E+02 -.435E-13 0.356E-13 -.105E+03 -.180E-19 -.102E-18 0.667E+01 0.136E-12 -.728E-13 -.309E-03
-.650E-13 0.418E-12 -.981E+02 -.355E-13 -.699E-14 0.105E+03 0.953E-20 -.163E-18 -.667E+01 0.154E-12 -.395E-13 0.309E-03
0.132E-12 -.836E-12 -.981E+02 0.180E-14 -.203E-13 0.105E+03 0.542E-19 -.887E-20 -.667E+01 0.224E-12 -.124E-13 0.309E-03
0.138E-12 0.120E-12 0.981E+02 -.573E-15 0.888E-15 -.105E+03 0.102E-18 -.444E-21 0.667E+01 0.196E-12 -.134E-12 -.309E-03
0.356E-13 -.179E-12 0.981E+02 -.142E-13 -.204E-13 -.105E+03 -.125E-19 -.610E-19 0.667E+01 0.139E-12 -.661E-13 -.309E-03
0.130E-12 0.418E-12 -.981E+02 -.155E-13 0.888E-15 0.105E+03 0.307E-19 -.251E-18 -.667E+01 0.456E-13 0.395E-13 0.309E-03
-.258E-13 0.239E-12 -.981E+02 -.142E-13 -.711E-14 0.105E+03 0.136E-18 0.383E-20 -.667E+01 -.223E-12 0.118E-12 0.309E-03
0.371E-13 0.239E-12 0.981E+02 -.178E-13 -.693E-13 -.105E+03 0.142E-18 -.256E-20 0.667E+01 -.246E-12 -.770E-13 -.309E-03
0.140E-12 0.155E-11 0.981E+02 -.274E-13 0.284E-13 -.105E+03 -.250E-19 0.610E-19 0.667E+01 -.157E-13 -.121E-12 -.309E-03
0.179E-12 0.155E-11 -.981E+02 -.284E-13 -.247E-13 0.105E+03 0.424E-21 0.197E-18 -.667E+01 -.895E-13 -.371E-13 0.309E-03
0.350E-12 -.549E-11 -.981E+02 -.178E-13 -.150E-13 0.105E+03 0.000E+00 0.976E-20 -.667E+01 -.237E-12 0.108E-13 0.309E-03
0.354E-12 0.239E-11 0.981E+02 -.204E-13 -.426E-13 -.105E+03 -.203E-19 -.129E-20 0.667E+01 -.304E-12 -.332E-12 -.309E-03
0.135E-12 -.346E-11 0.981E+02 -.648E-13 0.142E-13 -.105E+03 -.186E-19 -.169E-18 0.667E+01 -.318E-12 -.718E-13 -.309E-03
0.134E-12 -.227E-11 -.981E+02 -.284E-13 -.142E-13 0.105E+03 0.529E-20 -.135E-19 -.667E+01 0.330E-12 0.172E-12 0.309E-03
0.278E-12 -.102E-11 -.981E+02 -.213E-13 -.142E-13 0.105E+03 -.542E-19 -.210E-20 -.667E+01 0.333E-14 0.896E-13 0.309E-03
0.313E-12 0.120E-12 0.981E+02 -.711E-14 -.283E-13 -.105E+03 -.115E-18 -.426E-20 0.667E+01 -.807E-13 -.872E-13 -.309E-03
0.186E-12 -.490E-11 0.981E+02 -.710E-13 -.354E-13 -.105E+03 -.275E-20 -.680E-20 0.667E+01 0.165E-12 -.697E-13 -.309E-03
-----------------------------------------------------------------------------------------------
0.123E-10 -.182E-10 -.530E-10 -.150E-12 0.189E-12 -.128E-12 0.449E-18 -.977E-18 0.622E-14 -.258E-11 -.114E-11 0.121E-12
POSITION TOTAL-FORCE (eV/Angst)
-----------------------------------------------------------------------------------
1.90392 1.90392 4.83628 0.000000 0.000000 -0.000000
1.90392 -0.00000 7.25442 -0.000000 -0.000000 -0.000000
0.00000 0.00000 0.00000 0.000000 -0.000000 -0.000000
-0.00000 1.90392 2.41814 0.000000 0.000000 -0.000000
5.71176 1.90392 4.83628 -0.000000 0.000000 -0.000000
5.71176 -0.00000 7.25442 -0.000000 -0.000000 -0.000000
3.80784 0.00000 0.00000 0.000000 -0.000000 -0.000000
3.80784 1.90392 2.41814 -0.000000 -0.000000 -0.000000
1.90392 5.71176 4.83628 0.000000 -0.000000 -0.000000
1.90392 3.80784 7.25442 0.000000 -0.000000 -0.000000
0.00000 3.80784 0.00000 -0.000000 -0.000000 -0.000000
-0.00000 5.71176 2.41814 -0.000000 -0.000000 -0.000000
5.71176 5.71176 4.83628 0.000000 -0.000000 -0.000000
5.71176 3.80784 7.25442 0.000000 0.000000 -0.000000
3.80784 3.80784 0.00000 -0.000000 -0.000000 -0.000000
3.80784 5.71176 2.41814 -0.000000 0.000000 -0.000000
0.00000 1.90392 4.42087 -0.000000 0.000000 -0.016385
1.90392 1.90392 6.83901 -0.000000 0.000000 -0.016385
1.90392 -0.00000 5.25169 0.000000 -0.000000 0.016385
0.00000 -0.00000 7.66983 -0.000000 -0.000000 0.016385
1.90392 -0.00000 9.25715 -0.000000 0.000000 -0.016385
0.00000 -0.00000 2.00273 -0.000000 0.000000 -0.016385
-0.00000 1.90392 0.41541 0.000000 -0.000000 0.016385
1.90392 1.90392 2.83355 0.000000 -0.000000 0.016385
3.80784 1.90392 4.42087 0.000000 0.000000 -0.016385
5.71176 1.90392 6.83901 -0.000000 0.000000 -0.016385
5.71176 -0.00000 5.25169 -0.000000 -0.000000 0.016385
3.80784 -0.00000 7.66983 -0.000000 -0.000000 0.016385
5.71176 -0.00000 9.25715 0.000000 0.000000 -0.016385
3.80784 -0.00000 2.00273 -0.000000 0.000000 -0.016385
3.80784 1.90392 0.41541 0.000000 -0.000000 0.016385
5.71176 1.90392 2.83355 -0.000000 -0.000000 0.016385
-0.00000 5.71176 4.42087 0.000000 0.000000 -0.016385
1.90392 5.71176 6.83901 0.000000 0.000000 -0.016385
1.90392 3.80784 5.25169 0.000000 -0.000000 0.016385
0.00000 3.80784 7.66983 0.000000 -0.000000 0.016385
1.90392 3.80784 9.25715 0.000000 0.000000 -0.016385
-0.00000 3.80784 2.00273 -0.000000 0.000000 -0.016385
0.00000 5.71176 0.41541 0.000000 -0.000000 0.016385
1.90392 5.71176 2.83355 -0.000000 -0.000000 0.016385
3.80784 5.71176 4.42087 -0.000000 0.000000 -0.016385
5.71176 5.71176 6.83901 -0.000000 0.000000 -0.016385
5.71176 3.80784 5.25169 0.000000 -0.000000 0.016385
3.80784 3.80784 7.66983 -0.000000 -0.000000 0.016385
5.71176 3.80784 9.25715 -0.000000 0.000000 -0.016385
3.80784 3.80784 2.00273 0.000000 0.000000 -0.016385
3.80784 5.71176 0.41541 0.000000 -0.000000 0.016385
5.71176 5.71176 2.83355 0.000000 -0.000000 0.016385
-----------------------------------------------------------------------------------
total drift: 0.000000 -0.000000 -0.000000
--------------------------------------------------------------------------------------------------------
FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
---------------------------------------------------
free energy TOTEN = -430.9021194660 eV
energy without entropy= -430.9021194660 energy(sigma->0) = -430.90211947
d Force = 0.2837188E-02[ 0.127E-02, 0.441E-02] d Energy = 0.2905470E-02-0.683E-04
d Force =-0.8055383E+01[-0.809E+01,-0.802E+01] d Ewald =-0.1677321E+02 0.872E+01
--------------------------------------------------------------------------------------------------------
POTLOK: cpu time 0.7749: real time 0.7763
--------------------------------------------------------------------------------------------------------
Conjugate gradient step on ions:
trial-energy change: -0.002905 1 .order -0.002944 -0.005169 -0.000719
(g-gl).g = 0.621E-02 g.g = 0.582E-02 gl.gl = 0.592E+00
g(Force) = 0.503E-02 g(Stress)= 0.796E-03 ortho =-0.386E-03
gamma = 0.01049
trial = 0.88854
opt step = 1.04147 (harmonic = 1.03211) maximal distance =0.00283112
next E = -430.902181 (d E = -0.00297)
--------------------------------------------------------------------------------------------------------
reached required accuracy - stopping structural energy minimisation
writing wavefunctions
LOOP+: cpu time 511.6582: real time 514.0977
4ORBIT: cpu time 0.0000: real time 0.0000
volume of typ 1: 36.4 %
volume of typ 2: 9.3 %
total charge
# of ion s p d tot
------------------------------------------
1 2.267 6.559 2.117 10.943
2 2.267 6.559 2.117 10.943
3 2.267 6.559 2.117 10.943
4 2.267 6.559 2.117 10.943
5 2.267 6.559 2.117 10.943
6 2.267 6.559 2.117 10.943
7 2.267 6.559 2.117 10.943
8 2.267 6.559 2.117 10.943
9 2.267 6.559 2.117 10.943
10 2.267 6.559 2.117 10.943
11 2.267 6.559 2.117 10.943
12 2.267 6.559 2.117 10.943
13 2.267 6.559 2.117 10.943
14 2.267 6.559 2.117 10.943
15 2.267 6.559 2.117 10.943
16 2.267 6.559 2.117 10.943
17 1.261 2.859 0.003 4.123
18 1.260 2.857 0.003 4.121
19 1.260 2.857 0.003 4.121
20 1.261 2.859 0.003 4.123
21 1.261 2.859 0.003 4.123
22 1.260 2.857 0.003 4.121
23 1.260 2.857 0.003 4.121
24 1.261 2.859 0.003 4.123
25 1.261 2.859 0.003 4.123
26 1.260 2.857 0.003 4.121
27 1.260 2.857 0.003 4.121
28 1.261 2.859 0.003 4.123
29 1.261 2.859 0.003 4.123
30 1.260 2.857 0.003 4.121
31 1.260 2.857 0.003 4.121
32 1.261 2.859 0.003 4.123
33 1.261 2.859 0.003 4.123
34 1.260 2.857 0.003 4.121
35 1.260 2.857 0.003 4.121
36 1.261 2.859 0.003 4.123
37 1.261 2.859 0.003 4.123
38 1.260 2.857 0.003 4.121
39 1.260 2.857 0.003 4.121
40 1.261 2.859 0.003 4.123
41 1.261 2.859 0.003 4.123
42 1.260 2.857 0.003 4.121
43 1.260 2.857 0.003 4.121
44 1.261 2.859 0.003 4.123
45 1.261 2.859 0.003 4.123
46 1.260 2.857 0.003 4.121
47 1.260 2.857 0.003 4.121
48 1.261 2.859 0.003 4.123
--------------------------------------------------
tot 76.63 196.39 33.98 307.00
magnetization (x)
# of ion s p d tot
------------------------------------------
1 -0.000 -0.000 -0.000 -0.000
2 0.000 -0.000 -0.000 -0.000
3 -0.000 -0.000 0.000 -0.000
4 -0.000 -0.000 0.000 -0.000
5 -0.000 -0.000 0.000 -0.000
6 -0.000 -0.000 -0.000 -0.000
7 0.000 -0.000 -0.000 -0.000
8 0.000 -0.000 -0.000 -0.000
9 0.000 -0.000 -0.000 -0.000
10 -0.000 -0.000 -0.000 -0.000
11 -0.000 -0.000 0.000 -0.000
12 -0.000 -0.000 0.000 -0.000
13 -0.000 -0.000 0.000 -0.000
14 -0.000 -0.000 0.000 -0.000
15 -0.000 -0.000 0.000 -0.000
16 -0.000 -0.000 -0.000 -0.000
17 -0.000 0.000 0.000 0.000
18 -0.000 0.000 -0.000 0.000
19 0.000 0.000 -0.000 0.000
20 -0.000 0.000 0.000 0.000
21 -0.000 0.000 0.000 0.000
22 0.000 0.000 -0.000 0.000
23 0.000 0.000 -0.000 0.000
24 -0.000 0.000 0.000 0.000
25 -0.000 0.000 0.000 0.000
26 0.000 0.000 -0.000 0.000
27 0.000 0.000 -0.000 0.000
28 0.000 0.000 0.000 0.000
29 0.000 0.000 0.000 0.000
30 0.000 0.000 -0.000 0.000
31 0.000 0.000 -0.000 0.000
32 -0.000 0.000 0.000 0.000
33 -0.000 0.000 0.000 0.000
34 0.000 0.000 -0.000 0.000
35 0.000 0.000 -0.000 0.000
36 -0.000 0.000 0.000 0.000
37 -0.000 0.000 0.000 0.000
38 0.000 0.000 -0.000 0.000
39 0.000 0.000 -0.000 0.000
40 0.000 0.000 0.000 0.000
41 -0.000 0.000 0.000 0.000
42 0.000 0.000 -0.000 0.000
43 0.000 0.000 -0.000 0.000
44 -0.000 0.000 0.000 0.000
45 -0.000 0.000 0.000 0.000
46 0.000 0.000 -0.000 0.000
47 0.000 0.000 -0.000 0.000
48 -0.000 0.000 0.000 0.000
--------------------------------------------------
tot -0.00 0.00 -0.00 0.00
total amount of memory used by VASP MPI-rank0 94312. kBytes
=======================================================================
base : 30000. kBytes
nonl-proj : 12189. kBytes
fftplans : 6672. kBytes
grid : 6190. kBytes
one-center: 186. kBytes
wavefun : 39075. kBytes
General timing and accounting informations for this job:
========================================================
Total CPU time used (sec): 4096.641
User time (sec): 3994.612
System time (sec): 102.028
Elapsed time (sec): 4101.880
Maximum memory used (kb): 187868.
Average memory used (kb): 0.
Minor page faults: 258577
Major page faults: 6
Voluntary context switches: 38630