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

[Caloma Trumica]

Hi Professor,

Can you comment on this thread.

Question again, how to induce the perturbation in PWSCF?

Many Thanks.

On Thu, Jan 12, 2012 at 10:06 AM, Lorenzo Paulatto <
Lorenzo.Paulatto at impmc.upmc.fr> wrote:

> On Thu, 12 Jan 2012 15:47:06 +0100, Caloma Trumica <spmmal at gmail.com>
> wrote:
> > Isn't it either by atomic displacement or electric field?
>
> It's done by density functional perturbation theory (DFPT). If you have
> never heard it before, you can start with these slides by Stefano baroni
> (http://stefano.baroni.me/presentations_files/lecture-ictp-Jan2011.pdf)
> and/or from chapter 19.3 in R.M. Martin's book (Electronic Structure,
> 2004) and follow the references to go in depth.
>
> bests
>
> --
> Lorenzo Paulatto IdR @ IMPMC/CNRS & Université Paris 6
> phone: +33 (0)1 44275 084 / skype: paulatz
> www:   http://www-int.impmc.upmc.fr/~paulatto/
> mail:  23-24/4é16 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05
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