Dear pwscf users, Recently, I encounter some problems, Do pwscf only periodic hybrid density functional theory calculation, it could do any other general density functional theory calculation? Is there any principle about setting of k-point and cut-off energy? Best wishes Lihui Ou
-- ====================================== Lihui Ou PH.D Candidate in Electrochemistry College of Chemistry and Molecular Science Wuhan University,430072,Hubei Province,China E-mail:oulihui666 at 126.com ====================================== -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20071102/0c11513b/attachment.htm
