[Pw_forum] magnetic coupling

[Álvaro Alves]

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: Álvaro 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



 
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