Which SCF method is best for studying Ag2O.. I have this doubt since OT does'nt support K-Points though it converges faster. Can someone please clarify. Regards C.Hepsibah -------------- next part -------------- An HTML attachment was scrubbed... URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20191209/87f71593/attachment.htm>