Hello everyone. I'm trying to calculate the magnetic coupling in a dinuclear compound of copper. Compared with the experimental results, we find that the magnitude of the magnetic moments are not good. What can I try to change parameters to get a better result?
Regards, A. S. Alves ----- Mensagem encaminhada ---- De: ?lvaro Alves <asafis at yahoo.com.br> Para: pw_forum at pwscf.org Enviadas: Quarta-feira, 19 de Agosto de 2009 12:27:27 Assunto: [Pw_forum] magnetic coupling __________________________________________________ Fale com seus amigos de gra?a com o novo Yahoo! Messenger http://br.messenger.yahoo.com/ __________________________________________________ Fale com seus amigos de gra?a com o novo Yahoo! Messenger http://br.messenger.yahoo.com/ -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090819/0566679b/attachment.htm
