[Wed Jan 11 16:37:32 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. Single point calculation


VASP parameters
===============
This is a calculation based on density functional theory and the GGA-PBE exchange-correlation functional for describing the interactions.

Since no magnetic moments are in the model, this is a non-magnetic calculation using 'normal' precision
and a default planewave cutoff energy of 249.844 eV.

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

The requested k-spacing is 0.5 per Angstrom, which leads to a 6x6x6 mesh.
This corresponds to actual k-spacings of 0.446 x 0.446 x 0.446 per Angstrom.
The k-mesh is forced to be centered on the gamma point.

Using first order Methfessel-Paxton smearing with a width of 0.2 eV.
==========================================

Cell parameters:
 Parameter    Value    
---------- ------------
         a     4.071000
         b     4.071000
         c     4.071000
     alpha    90.000000
      beta    90.000000
     gamma    90.000000

    Volume    67.468855 Ang^3

Fractional Coordinates:
	Atom              Coordinates
	-----      -------- -------- --------
	Ag1          0.0000   0.0000   0.0000

Using version 4.0 GGA-PBE / PAW potentials:
	Ag             	  PAW_PBE Ag 02Apr2005                   

There are 16 symmetry-unique k-points
The plane wave cutoff is 249.84 eV

   VASP energy:              -2.631725 eV for Ag primitive cell

Electronic contributions:
                          Empirical Formula Conventional Cell
                                    Ag           (Ag)4
                          ----------------- -----------------
              VASP Energy          -2.631725      -10.526900 eV
                        =        -253.923       -1015.691 kJ/mol

        Density:    10.619 Mg/m^3

   The pressure given below is exerted by the system according to its volume.
   Positive pressure would cause expansion during full geometry optimization.
       Pressure:     3.097 GPa
               =    30.968 kbar

                      XX        YY        ZZ        YZ        XZ        XY
         Stress:    -3.097    -3.097    -3.097    -0.000    -0.000    -0.000 GPa
               =   -30.968   -30.968   -30.968    -0.000    -0.000    -0.000 kbar
   The stress tensor above is imposed on the system, i.e. negative values of diagonal components 
   would cause expansion of the corresponding lattice parameter upon full geometry optimization.
   The pressure and stress include only electronic terms, i.e. the vibrational,
   temperature and other terms are not included here.

Analytic Derivatives:
	Atom         Derivatives fractional      Derivatives Cartesian (eV/Ang)
	-----      -------- -------- --------    -------- -------- --------
	Ag1          0.0000   0.0000   0.0000	   0.0000   0.0000   0.0000

Atomic partial charges (electron charges):
	Atom           s        p        d     total 
	-----      -------- -------- -------- --------
	Ag1           0.336    0.227    8.916    9.479

Analysis of the electronic structure:
	The system is a metal. The Fermi energy is located in the band interval (#3 - #7)
 	spanning the energy interval (-3.655:4.164)eV with respect to the Fermi level.
	The Fermi energy is used as the zero of the energy scale.

Job completed on Wed 11 January 2023 at 16:37:40 CST after 3 s (0:00:03)


Entire job completed on Wed 11 January 2023 at 16:37:40 CST after 3 s (0:00:03)
and running 1 tasks.