[Pw_forum] time requirement

Paolo Giannozzi giannozz at nest.sns.it
Mon Jan 7 10:13:12 CET 2008

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

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