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Re: [abinit-forum] Raman calculations with abinit


Chronological Thread 
  • 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
--------------------------------------------------




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