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 > > > > _______________________________________________ > > 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. > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120112/08d5e741/attachment.htm
