Dear PW users, I am trying to calculate charge density difference (i.e. induced charge) in presence of Electric Field(G111 direction) and absence of electric filed.
My questions are following: 1. How apply electric filed in 111 direction. 2. How ?(G111,E=X)-?(G111,E=0) give a number not an array on FFT grid. Thanks a lot for your help. Regards, Mudit -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140220/db0657fb/attachment.html
