[Pw_forum] magnetic coupling
Álvaro Alves
asafis at yahoo.com.br
Wed Aug 19 19:19:08 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. Alves
__________________________________________________
Fale com seus amigos de graça com o novo Yahoo! Messenger
http://br.messenger.yahoo.com/
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20090819/6362f30f/attachment.html>
More information about the users
mailing list