Dear All When I am determining optical spectra of some metals it needs?degauss?for electron charges in ` scf ` calculations. The problem is that when I want to run turbo_lanczos it says that there is a problem in gamma point?algorithm Help plz -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120807/e7d17a64/attachment.htm
