./Job.out output for 262: (Cs2AgInCl6)4 (Fm-3m) ~ Cs2InAgCl6_mp-1096926_symmetrized.cif (VASP)

Status: finished

[Fri Sep 13 08:19:08 CDT 2024] [MD] [warn] 'Starting MedeA Core 3.9.1'
MedeA version 3.9.1

#-------------------------------------------------------------------------------
#                This calculation has 1 stage
#-------------------------------------------------------------------------------

Stage 1: VASP 6
	  

#-------------------------------------------------------------------------------
#                Running the calculation
#-------------------------------------------------------------------------------


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 the meta-GGA density functional MBJLDA for describing the interactions.

This is a spin-polarized magnetic calculation using 'standard 500' precision
and a default planewave cutoff energy of 500.000 eV.

The electronic iterations convergence is 1.00E-05 eV using the Damped molecular dynamics algorithm
and reciprocal space projection operators.

The requested k-spacing is 0.5 per Angstrom, which leads to a 3x3x3 mesh.
This corresponds to actual k-spacings of 0.349 x 0.349 x 0.349 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.

Other non-default parameters:
	Delay each start is TRUE
	File return is All files
	Number of bands is 75
	Maximum iterations is 900
	Initial delay of SCF is 2
	Time step size is 0.2
==========================================

Cell parameters:
 Parameter    Value    
---------- ------------
         a    10.389026
         b    10.389026
         c    10.389026
     alpha    90.000000
      beta    90.000000
     gamma    90.000000

    Volume  1121.306835 Ang^3

Fractional Coordinates:
	Atom              Coordinates
	-----      -------- -------- --------
	Cs0          0.2500   0.2500   0.2500
	In1          0.0000   0.0000   0.0000
	Ag2          0.5000   0.5000   0.5000
	Cl3          0.2439   0.5000   0.5000

Using Version 54 GGA-PBE / PAW potentials:
	Cs sv          	  PAW_PBE Cs_sv 08Apr2002                
	In d           	  PAW_PBE In_d 06Sep2000                 
	Ag             	  PAW_PBE Ag 02Apr2005                   
	Cl             	  PAW_PBE Cl 06Sep2000                   
An error occurred running VASP 6: VASP failed. Please check VASP.out and OUTCAR.out for the reason.

VASP failed. Please check VASP.out and OUTCAR.out for the reason.
    while executing
"error "VASP failed. Please check $vaspoutname and $filename for the reason.""
    (object "::parser0" method "::VASP6::Parser::OUTCAR" body line 35)
    invoked from within
"$parser OUTCAR OUTCAR.out"
    (object "::batch0" method "::VASP6::Batch::singlePoint" body line 391)
    invoked from within
"$this singlePoint"
    (object "::batch0" method "::VASP6::Batch::run" body line 41)
    invoked from within
"$VASP run"


Entire job completed on Fri 13 September 2024 at 08:19:45 CDT after 35 s (0:00:35)
and running 1 tasks.