[Pw_forum] magnetic coupling

Álvaro Alves asafis at yahoo.com.br
Wed Aug 19 16:41:07 CEST 2009


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. Santos


      ____________________________________________________________________________________
Veja quais são os assuntos do momento no Yahoo! +Buscados
http://br.maisbuscados.yahoo.com
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20090819/5c0df722/attachment.html>


More information about the users mailing list