Nfreq46.sh: Difference between revisions
Jump to navigation
Jump to search
New page: go back to Main Page, Computational Resources, Scripts, Scripts for Vasp |
No edit summary |
||
| Line 1: | Line 1: | ||
go back to [[Main Page]], [[Computational Resources]], [[Scripts]], [[Scripts for Vasp]] | go back to [[Main Page]], [[Computational Resources]], [[Scripts]], [[Scripts for Vasp]] | ||
The script ''nfreq46.sh'' extracts the vibration frequencies and the normal modes of vibration from an OUTCAR file of vasp version 4.6 | |||
'''Launching''': nfreq46.sh OUTCAR | |||
'''Output file''': ''MOLCAR'' (to be visualized by ''molden'') | |||
'''Used files/subprograms''': ''None'' | |||
== INSTALLATION STEPS == | |||
1) First of all, download the program: | |||
[[Image:nfreq46.tgz]] | |||
and uncompress it in your bin directory. | |||
2) Use it!!!! | |||
Revision as of 14:01, 16 September 2010
go back to Main Page, Computational Resources, Scripts, Scripts for Vasp
The script nfreq46.sh extracts the vibration frequencies and the normal modes of vibration from an OUTCAR file of vasp version 4.6
Launching: nfreq46.sh OUTCAR
Output file: MOLCAR (to be visualized by molden)
Used files/subprograms: None
INSTALLATION STEPS
1) First of all, download the program:
File:Nfreq46.tgz
and uncompress it in your bin directory.
2) Use it!!!!