forum@abinit.org
Subject: The ABINIT Users Mailing List ( CLOSED )
List archive
- From: "Pietro Delugas" <delugas@dsf.unica.it>
- To: forum@abinit.org
- Subject: Re: [abinit-forum] Raman + IR Intensities
- Date: Mon, 9 Oct 2006 16:39:20 +0200 (CEST)
- Importance: Normal
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
lot of stuff actually :-)
Pietro
> Dear All,
>
> Could you please tell me if AbInit can directly calculate the IR and Raman
> intensities ?
>
> Best regards,
>
> Frédéric
>
- Raman + IR Intensities, BOUYER Frédéric 153746, 10/09/2006
- Re: [abinit-forum] Raman + IR Intensities, Pietro Delugas, 10/09/2006
Archive powered by MHonArc 2.6.16.