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

[Caloma Trumica]

Thanks.Axel.

I was wondering how to make perturbations for the ground state
wavefunctions in the Phonon code.

Isn't it either by atomic displacement or electric field?

On Thu, Jan 12, 2012 at 9:41 AM, Axel Kohlmeyer <akohlmey at gmail.com> wrote:

> 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
> >
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>
>
>
> --
> Dr. Axel Kohlmeyer
> akohlmey at gmail.com  http://goo.gl/1wk0
>
> College of Science and Technology
> Temple University, Philadelphia PA, USA.
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