[Wien] Magnetic moment for AFM configuration
Jianguang Wang
jw33293 at gmail.com
Tue Jan 24 22:53:42 CET 2012
Dear Wien users,
I am studying the chemisorption on an anti-ferromagnetic
surface (up-spin and down-spin ) using WIEN2K and a temperature
smearing . But the total magnetic moment is substantial (non-zero).
Why is that?
A perfect AFM material should give a zero total moment.
Thanks for the info!
WJG
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120124/2ae29431/attachment.htm>
More information about the Wien
mailing list