Hello everyone,
I am doing calculations on Cu3N which is found theoretically to have a band gap around 0.3eV whereas experiments give a value around 1eV. My question is, should I use smearing for this system? Thanks -- Izaak Williamson Research Assistant Physics Department Boise State University -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110712/d8dfef47/attachment.htm
