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[BOUYER Frédéric 153746 <frederic.bouyer@cea.fr>]

Many thanks. I will try ... After recompiling abinit under mpi.

Regards,

Frédéric

> -----Message d'origine-----
> De : Orlin Blajiev [mailto:] 
> Envoyé : vendredi 3 novembre 2006 14:31
> À : forum@abinit.org
> Objet : [abinit-forum] IR and Raman intensities (a follow up question)
> 
> 
> Hi,
> 
> Is this applicable for molecular (non-periodic) systems as well.
> 
> Yes it can
>   you should consult for examples
>     http://www.abinit.org/Infos_v4.6/Tutorial/lesson_rf1.html
>     http://www.abinit.org/Infos_v4.6/Tutorial/lesson_rf2.html
>   if you are just interested to Raman mode frequencies this 
> is enough beucause anaddb gives you the character tables for 
> any set of degenerate modes.  if you are also interested in 
> raman efficiencies consult also
>     http://www.abinit.org/Infos_v4.6/Tutorial/lesson_nlo.html
> 
> Best regards,
> Orlin
> 
> -- 
> Orlin Blajiev
> Department of Metallurgy, Electrochemistry and Materials 
> Science Faculty of Applied Science 
> Vrije Universiteit Brussel
> Pleinlaan 2, B-1050 Brussels
> Belgium 
> 
> http://www.vub.ac.be/META/
> 
> tel.: 32-(0)2-6293538
> fax : 32-(0)2-6293200 
> 
>