Hi Paolo, Thank you for your reply. I am using Program PWSCF v.5.0.2. I copied lsda.inand made some necessary modification (such PP directory), so the simulation parameters are the same as lsda.in.
BTW, Is it possible to get a copy of your reply in my email address when you reply to the forum? Best, Dongsheng -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20130605/05371b71/attachment.html
