Dear All, I have two simple questions about Fermi level and DOS. For insulator electronic structure calculations, is the Fermi level evaluated set to the top of a valence band? When DOS plotted, is the Fermi level manually set to zero by shifting the value achieved self consistently in a scf.out file?
Best Wishes, Sang-Hwan Department of Chemistry University of Houston 136 Fleming Building Houston, TX 77204-5003 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20081015/b96348a6/attachment.htm
