[Wien] fsm -m 0.0 and AFM

[Stefaan Cottenier]

>   I want to caculate the energy differece between AFM and FM   
> structures,it's defect induced magnetism, so the origin of the   
> magnetism is not clear.(my limited knowledge).
>   I want to fix the moment in the supercell to 0, and caculate the   
> energy difference. Is it a feasible solution?

If your question is whether a fixed spin moment calculation with total  
moment zero is a good approximation of an antiferromagnetic cell: no.  
See http://www.wien2k.at/reg_user/faq/afm.html how to do real  
antiferromagnetic calculations.

Stefaan


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