Hi there, I want to know how do we perform calculation for spin polarisation in PWscf, as I have odd number of electrons in my system. However I have one more thing to ask, in my previous system as I already wrote charge is wrong apperedin the output, but in that system there are even number of electrons, so is their any other probable reason?
Can anybody help? Dimpy -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090814/fab6c3db/attachment.htm
