[Pw_forum] Phonon dispersion grid

[Paolo Giannozzi]

On Nov 17, 2012, at 18:04 , Elias Albert wrote:

> I was wondering though what type of post calculations could be done
> if only the frequencies at the Gamma point are done?

not sure what you mean ... at Gamma point you may have a look
at LO-TO splitting, IR-active frequencies and intensities, Raman-active
modes (code dynmat.x). One coud also calculate nonresonant Raman
corss sections

P.
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Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222