[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,



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