Nfreq-luca

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Revision as of 13:12, 2 March 2011 by Lbellarosa (talk | contribs) (New page: go back to Main Page, Computational Resources, Scripts, Scripts for VASP The script ''nfreq.sh'' extracts the vibration frequencies and the normal modes of vibration from ...)
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go back to Main Page, Computational Resources, Scripts, Scripts for VASP

The script nfreq.sh extracts the vibration frequencies and the normal modes of vibration from an OUTCAR file of vasp version 4.6 or higher. You can multiply your initial cell and visualize the frequencies of the whole crystal.


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:Nfreq.tgz

and uncompress it in your bin directory.

2) Use it!!!!