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- From: Philippe GHOSEZ <Philippe.Ghosez@ulg.ac.be>
- To: forum@abinit.org
- Subject: Re: [abinit-forum] Raman calculations with abinit
- Date: Tue, 29 Jul 2008 09:57:19 +0200
Dear Davide,
I am afraid it is not yet available.
The only possibility at this stage
is to look at the change of susceptibility
under atomic displacement following
a frozen-phonon procedure as we did it in
PRB 75, 220102(R) (2007) for BiFeO3.
Best wishes,
Philippe.
On 24 Jul 2008, at 10:41, Davide Sangalli wrote:
Dear forum,--------------------------------------------------
I would like to perform some raman calculation with abinit.
Do you know if it is possible also for spin polarized systems
to compute raman intensities?
Thanks,
Davide
Prof. Philippe GHOSEZ
Universite de Liege
Institut de Physique, Bat. B5
Allee du 6 aout, 17
B- 4000 Sart Tilman
BELGIUM
Phone : ++(32) (0)4-366.36.11
Fax : ++(32) (0)4-366.36.29
E-mail: Philippe.Ghosez@ulg.ac.be
http://www.ulg.ac.be/phythema
--------------------------------------------------
- [abinit-forum] Raman calculations with abinit, Davide Sangalli, 07/24/2008
- Re: [abinit-forum] Raman calculations with abinit, fabiana dapieve, 07/24/2008
- Re: [abinit-forum] Raman calculations with abinit, Philippe GHOSEZ, 07/29/2008
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