[Fri Sep 27 12:06:59 SAST 2024] [MD] [warn] 'Starting MedeA Core 3.7.0'
MedeA version 3.7.0

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#                This calculation has 1 stage
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Stage 1: VASP 5.4
	  

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#                Running the calculation
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Stage 1: VASP 5.4
Sucessfully opened MedeA database from /home/medea/MD/Databases/MedeA.db


VASP 5.4 CALCULATION PROTOCOL:
==============================
1. Geometry optimization (atom positions)


VASP parameters
===============
This is a calculation based on density functional theory and the GGA-PBE exchange-correlation functional for describing the interactions.
Van der Waals interactions are added by means of a forcefield (DFT+D3 approach of S. Grimme with Becke-Johnson-damping).

This is a spin-polarized magnetic calculation using 'normal' precision
and a user-defined planewave cutoff energy of 400.000 eV.

The electronic iterations convergence is 1.00E-05 eV using the Fast (Davidson and RMM-DIIS) algorithm
and reciprocal space projection operators.

The requested k-spacing is 0.5 per Angstrom, which leads to a 3x3x1 mesh.
This corresponds to actual k-spacings of 0.186 x 0.183 x 0.310 per Angstrom.
The k-mesh is forced to have an odd number of points in each direction.
Symmetry is not used, i.e. the k-point set is not reduced and symmetrizations do not occur.

Using Gaussian smearing with a width of 0.05 eV.

Other non-default parameters:
	Extrafine augmentation grid for accurate forces is TRUE
	Do not use symmetry is TRUE
==========================================

Using version 4.0 GGA-PBE / PAW potentials:
	Fe             	  PAW_PBE Fe 06Sep2000                   
	W              	  PAW_PBE W 08Apr2002                    
	O              	  PAW_PBE O 08Apr2002