Hi all. As an update I calculated the bandstructure assuming that the negative rho has little effect on the final result, and then I got a bandstructure with a certain lines in it. I am hoping if anyone can tell me how to get all the k point for the nscf input, so I can get a more smooth bandstructure finally. Thank you.
Best regards. Chengyu Yang MMAE, University of Central Florida -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110808/12326d11/attachment.htm
