Thank you Duy Le for your reply. >Why do you need a +0.5 pp? Can you make pp with semicore for regular Cu?
PP for an ionic state can be used like neutral pp for the same atom and "ideally" should be same. I hope i would be able to generate required PP. Thank you very much Duy Le and QE forum. with regards, sonu IITD -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20101017/45525709/attachment.htm
