[CPMD-list] Re: MOLVIB

[Rodolphe VUILLEUMIER]

I have slightly modified a program called xvibs and made a cp2xvib 
program which I hope could help you. cp2xvib takes the MOLVIB file and 
creates an input file for xvibs; just run cp2xvib in the directory wher 
e the MOLVIB file is. It also calculates the frequency and normal modes 
(you can specify to clean them of rotations and translations if you 
want). The xvibs program which is free software of Bradley A. Smith
then plots out movies in the xyz format of desired normal modes.
I attached both programs; hoping that they still work, since I didn't 
use them for some time.

Greetings,
R. Vuilleumier

-- 

Rodolphe Vuilleumier
Laboratoire de Physique Theorique de Liquides
Universite Pierre et Marie Curie - Tour 16-15 - 5eme etage
4 place Jussieu - 75005 Paris - France
Tel: 33-(0)1-44-27-72-39
Fax: 33-(0)1-44-27-51-00
Email:vuilleum at lptl.jussieu.fr

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