Hi How do we can force the code to print the occupancy in simple scf run? I know partial dos calculation , but I don't know wheather another way also exist or not? thanks a lot
Ali Kazempour Physics department, Isfahan University of Technology 84156 Isfahan, Iran. Tel-1: +98 311 391 3733 Fax: +98 311 391 2376 Tel-2: +98 311 391 2375 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090923/97a9ee58/attachment.htm