[Tue Mar 28 09:54:41 CST 2023] [MD] [warn] 'Starting MedeA Core 3.6.0'
MedeA version 3.6.0

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#                This calculation has 1 stage
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Stage 1: VASP 6
	  

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#                Running the calculation
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Stage 1: VASP 6
Sucessfully opened MedeA database from /home/medea/MD/Databases/MedeA.db


VASP 6 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+D2 approach of S. Grimme).

Since no magnetic moments are in the model, this is a non-magnetic calculation using 'normal' precision
and a user-defined planewave cutoff energy of 700.000 eV.

The electronic iterations convergence is 1.00E-04 eV using the Normal (blocked Davidson) algorithm
and reciprocal space projection operators.

The requested k-spacing is 0.4 per Angstrom, which leads to a 2x1x1 mesh.
This corresponds to actual k-spacings of 0.327 x 0.391 x 0.263 per Angstrom.
The k-mesh is forced to be centered on the gamma point.

Using Gaussian smearing with a width of 0.05 eV.

Other non-default parameters:
	Convergence criterion for ionic relaxations is 0.08 eV/Ang
	Number of steps is 300
==========================================

Using version 4.0 GGA-PBE / PAW potentials:
	K sv           	  PAW_PBE K_sv 06Sep2000                 
	Mg             	  PAW_PBE Mg 13Apr2007                   
	S              	  PAW_PBE S 06Sep2000                    
	Cl             	  PAW_PBE Cl 06Sep2000                   
	O              	  PAW_PBE O 08Apr2002                    
	H              	  PAW_PBE H 15Jun2001