[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
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