Hello pwscf users, I want to study my system by DOS calculations, I have a question about my result. Fermi energy ?In SCF calculation is defferent from nscf calculation. which of them is correct? with the best regards.?
Farzad Molani, Ph.D Student, Department of Theoretical Physical Chemistry, K. N. Toosi University of Technology, Tehran, Iran. Tel.: 009891 4442 3308 Tel.: 009821 2306 4280 Fax: 009821 2285 3650 Web: http://www.chem.kntu.ac.ir/~sjalili:/ -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110412/4a4840e4/attachment.htm
