Stage_1/INCAR output for 1010: TiO2_Ana_sp

Status: finished

# SCF input for VASP
# Note that VASP uses the FIRST occurence of a keyword
# Extra input added by hand
LPLANE = .TRUE.
NCORE  = 8 
NPAR = 8
LSCALU = .FALSE.
NSIM   = 4
# End of extra input

SYSTEM = TiO2_Ana_sp

    PREC = Normal
   ENCUT = 550
  IBRION = -1
     NSW = 0
    ISIF = 2
  NELMIN = 2
   EDIFF = 1.0e-05
  EDIFFG = -0.02
 VOSKOWN = 1
  NBLOCK = 1
  NWRITE = 1
    NELM = 60
    ALGO = Fast (Davidson and RMM-DIIS)
    IVDW = 12
  VDW_S6 = 1.000
  VDW_S8 = 0.7875
  VDW_A1 = 0.4289
  VDW_A2 = 4.4407
   ISPIN = 2
  INIWAV = 1
  ISTART = 1
  ICHARG = 1
   LWAVE = .FALSE.
  LCHARG = .TRUE.
 ADDGRID = .TRUE.
  ISMEAR = 0
   SIGMA = 0.05
   LREAL = .FALSE.
LSCALAPACK = .FALSE.
RWIGS = 1.45 0.73

# Default options for parallel
    NPAR = 48