Geom 2.s

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go back to Main Page, Computational Resources, Scripts, Scripts for VASP

Execute this script (geom_2.s OUTCAR) will generate a file called MOLCAR. This file is legible for MOLDEN, and includes the energies and geometries of each steps of OUTCAR file with a duplicated cell in XY. 


#
# Gerard Novell Leruth
# Conversion archivos OUTCAR de optimización VASP a molden format
# Uso: geom_2.s OUTCAR
#
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