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Dear All, Spin polarized calculation of pt4 cluster?with Td symmetry?with ?Nalpha-Nbeta = 2 gives Total magnatization? 2 and Absolute magnetization equal to 3. And for Nalpha-Nbeta = 4, Total magnatization is 4 and Absolute magnetization = 4. The pt4 is optimized. How we can interperate the Absolute magnetization equal 3. Is it correct? 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/20110109/fe2f4ea3/attachment.htm
