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
