[Pw_forum] time requirement

[Paolo Giannozzi]

On Jan 7, 2008, at 9:48 , Rudra Banerjee wrote:

> but is it possible to calculate phonon after doing gamma point  
> relaxation?

you can calculate phonons at q=0 only with the code
contained in Gamma/ . Otherwise you can perform
the structural optimization with Gamma and then
make a single-point calculation as you like.

Paolo
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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