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 Bonaf?.
-- Franco P. Bonaf? *MSc in Chemistry / PhD student* *INFIQC :: CONICET* *Department of Math & Physics* *Facultad de Ciencias Qu?micas* *Universidad Nacional de C?rdoba - Argentina* *Phone: +54 351 ** 5353853* *Mobile: +54 9 351 15 5472791* -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140527/aa9f40c2/attachment.html
