Dear all, I would like to use matdyn.x?to calculatephonon dos but i don't know the difference between? (1): making a 2*2*2 supercell and running?ph.x calculation for?supercell and then?running?matdyn.x to calculte phonon dos ?and (2):??running?ph.x calculation for?unit cell?(or?primitive cell) and then matdyn.x for supercell (for l1=2, l2=2, l3=2).(first needs more time and second is very fast) what is the difference between them?
thanks a lot babraram -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120418/67bebd5f/attachment.htm
