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IR and Raman intensities (a follow up question)

From: Orlin Blajiev <blajiev@vub.ac.be>
To: forum@abinit.org
Subject: IR and Raman intensities (a follow up question)
Date: Fri, 03 Nov 2006 14:30:50 +0100

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

IR and Raman intensities (a follow up question), Orlin Blajiev, 11/03/2006
- RE : [abinit-forum] IR and Raman intensities (a follow up question), BOUYER Frédéric 153746, 11/07/2006