[Wien] About magnetic moment in AFM calculations

[Stefaan Cottenier]

>If the magnetic moments have collapsed to zero, is this mean that the AFM 
>order doesn's exist for my system ? 
>
Not necessarily. Both the AFM and NM solution could exist, but for some 
reason you might end up always in NM.

>or the supercell was wrong ?
>
Perhaps.

> is there any solution to this problem ?
>
??? Only you can find out.

>  what is the way to run a correct AFM 
>calculation without pbs in magnetic moments values ?
>
see usersguide and FAQ (either by runafm or by runsp+flipping moments in 
case.inst)

> what should be the 
>values of magnetic moments ( partial and total) in a correct AFM 
>calculation ?
>  
>
partial * multiplicity + interstitial moment = total

Stefaan


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