[Pw_forum] US or PAW pseudopotentials and Raman spectra

[Paolo Giannozzi]

On Dec 7, 2009, at 24:01 , damien wrote:

> I wanted to know if, in a near future, it will be envisaged to have  
> an implementation
> of Raman spectra with Ultra Soft  or/and PAW pseudopotentials?


You need to perform a 2nd-order response calculation to an electric  
field with
USPP or PAW. It is not a trivial extension.

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