Dear PWSCF users I want to do Lowdin population analysis .But After I get the pdos,the outfile of pdos only gave the total charge of s ,p ,d orbital respectively . e.g s=2.8945, p=6.8221,d= 5.6231,but the s orbital include 3s and 4s in the USPP.So how can I get the charge of 3s ,4s respectively ?
-- Best regards Q.J.Wang XiangTan University -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20091014/2dc7192a/attachment.htm
