[Pw_forum] Raman cross sections in Phonon

Franco Bonafé francobonafe at gmail.com
Tue May 27 22:42:24 CEST 2014


Dear PWscf users,
I need to calculate the Raman cross sections for a material which I have
been studying using ultrasoft pseudopotentials with the Phonon code.
Unfortunately up to version 5.0.2 it is not implemented.
I'd like to know if there is any way to calculate these properties other
than using norm conserving pseudopotentials, which would be a time
consuming task since I would have to optimize all the parameters again.
Thanks in advance,
Franco Bonafé.

-- 
Franco P. Bonafé
*MSc in Chemistry / PhD student*
*INFIQC :: CONICET*
*Department of Math & Physics*
*Facultad de Ciencias Químicas*
*Universidad Nacional de Córdoba - Argentina*

*Phone: +54 351 ** 5353853*
*Mobile: +54 9 351 15 5472791*
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