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Dear All, In Vasp there is two options for doing spin polarized computations : ISPIN=2 which is done without any restriction. And ISPIN=2 and NUPDOWAN=2 or 4. In the later casse? the spin polarized caculation is done with imposing restriction on the number of alpha and beta electrons. I wish two konw what are the equivalent cases?for spin polarized calculation in ?PWSCF ? Regards Fariba Nazari IASBS? -- This message has been scanned for viruses and dangerous content by MailScanner, and is believed to be clean. -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20100906/9ae487c9/attachment.htm
