[Wien] About antiferromagnetism calculation

[Gerhard H Fecher]

Yes, you are principally right.
That is why you may get also in some cases a ferromagnetic and not a 
ferrimagnetic state.
However, I do not know how sensitive it is in tha case of AFM

Ciao
Gerhard

Am Mittwoch, 31. August 2005 18:12 schrieb Eric Sun:
> Dear WIEN2k users,
> 
> I'm trying to do some antiferromagnetism calculations.
> I read the FAQ in the following page
> http://www.wien2k.at/reg_user/faq/afm.html
> I realize that an important step in the AFM calculations 
> is to manually flip one of the spins of two adjacent
> magnetic atoms. My simple question is that
> if this step is to avoid the so-called "local minimum"
> in the variational procedure. I mean, if we just leave 
> the two spins parallel, will the variational procedure
> always stop at some ferromagnetic state? Or, 
> is it possible that, even if the spins are initially
> antiparallel, they may ocassionally drop in 
> the ferromagnetic "local minimum" in the variational
> procedure?
> 
> Thanks for your kindly reply.
> Eric
>