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 & Universit? Paris 6 > phone: +33 (0)1 44275 084 / skype: paulatz > www: http://www-int.impmc.upmc.fr/~paulatto/ > mail: 23-24/4?16 Bo?te courrier 115, 4 place Jussieu 75252 Paris C?dex 05 > _______________________________________________ > 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/d1c73e6b/attachment-0001.htm
