Hi QES user I want to know how does thecalculation ofspin polarisation in odd number of electrons been done in Quantum espresso, as I have odd number of eelctrons in my system which is semiconductor.
Thanks Shaptarishi -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090813/16c69a41/attachment.htm