Geom 2.s

From Wiki
Revision as of 14:37, 14 May 2010 by 10.0.7.22 (talk) (New page: go back to Main Page, Computational Resources, Scripts, Useful scripts Execute this script (geom_2.s OUTCAR) will generate a file called MOLCAR. This file is legible for ...)
(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)
Jump to navigation Jump to search

go back to Main Page, Computational Resources, Scripts, Useful scripts

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
#
Retrieved from "http://usrc.iciq.cat/wiki/index.php?title=Geom_2.s&oldid=3888"