Hi Professor,<br><br>Can you comment on this thread. <br><br>Question again, how to induce the perturbation in PWSCF?<br><br>Many Thanks.<br><br><div class="gmail_quote">On Thu, Jan 12, 2012 at 10:06 AM, Lorenzo Paulatto <span dir="ltr"><<a href="mailto:Lorenzo.Paulatto@impmc.upmc.fr">Lorenzo.Paulatto@impmc.upmc.fr</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">On Thu, 12 Jan 2012 15:47:06 +0100, Caloma Trumica <<a href="mailto:spmmal@gmail.com">spmmal@gmail.com</a>><br>
wrote:<br>
<div class="im">> Isn't it either by atomic displacement or electric field?<br>
<br>
</div>It's done by density functional perturbation theory (DFPT). If you have<br>
never heard it before, you can start with these slides by Stefano baroni<br>
(<a href="http://stefano.baroni.me/presentations_files/lecture-ictp-Jan2011.pdf" target="_blank">http://stefano.baroni.me/presentations_files/lecture-ictp-Jan2011.pdf</a>)<br>
and/or from chapter 19.3 in R.M. Martin's book (Electronic Structure,<br>
2004) and follow the references to go in depth.<br>
<br>
bests<br>
<span class="HOEnZb"><font color="#888888"><br>
--<br>
Lorenzo Paulatto IdR @ IMPMC/CNRS & Université Paris 6<br>
phone: <a href="tel:%2B33%20%280%291%2044275%20084" value="+33144275084">+33 (0)1 44275 084</a> / skype: paulatz<br>
www: <a href="http://www-int.impmc.upmc.fr/%7Epaulatto/" target="_blank">http://www-int.impmc.upmc.fr/~paulatto/</a><br>
mail: 23-24/4é16 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05<br>
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