Geom 2.s: Difference between revisions
Jump to navigation
Jump to search
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 ... |
Lbellarosa (talk | contribs) No edit summary |
||
| Line 1: | Line 1: | ||
go back to [[Main Page]], [[Computational Resources]], [[Scripts]], [[ | 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. | 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. | ||
Latest revision as of 15:09, 22 June 2010
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 #