[Pw_forum] Which subroutine is related to the atomic displacement in DFPT

Axel Kohlmeyer akohlmey at gmail.com
Thu Jan 12 15:41:22 CET 2012


On Wed, Jan 11, 2012 at 8:56 PM, Caloma Trumica <spmmal at gmail.com> wrote:
> Dear All,
>
> I could not find the name of the subroutine, which applies a pattern of
> atomic displacements in order to get the wavefunction perturbation in any q
> vector? Could you please help me out? It is supposed to be hidden somewhere
> in "PH" folder.

if you compute perturbations,
there are no displacements.
that is the whole point.

axel.


>
> Thanks.
>
> Andy Lau  Postgraduate student from HKUST, China
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum
>



-- 
Dr. Axel Kohlmeyer
akohlmey at gmail.com  http://goo.gl/1wk0

College of Science and Technology
Temple University, Philadelphia PA, USA.


More information about the Pw_forum mailing list