[Wien] About magnetic moment in AFM calculations
Souraya GOUMRI-SAID
goumri-said at univ-paris12.fr
Mon Jan 22 16:02:34 CET 2007
Dear Stefaan,
If the magnetic moments have collapsed to zero, is this mean that the AFM
order doesn's exist for my system ? or the supercell was wrong ? is there
any solution to this problem ? what is the way to run a correct AFM
calculation without pbs in magnetic moments values ? what should be the
values of magnetic moments ( partial and total) in a correct AFM
calculation ?
Thank you for helping me to understand this problem.
regards,
souraya,
--
Open WebMail Project (http://openwebmail.org)
More information about the Wien
mailing list