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

[Lorenzo Paulatto]

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
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