[Wien] Orientation of Atomic Spin Moments

[Torsten Andersen]

Dear Chiung-Yuan,

not really. There are some antiferromagnetic features that allows you to 
do a calculation from an educated guess, but there is no possibility of 
determining the directions of the moments "automagically", as far as I 
know. Read the AFM faq.

Best regards,
Torsten Andersen.

Chiung-Yuan Lin wrote:
> Dear All,
>   I am calculating a system with 2 magnetic atoms in the unit cell.
> I would like to see how the energies change with different relative
> orientation between the spin moments of the 2 magnetic atoms.
>  From what I know, for a system with only one magnetic atom a
> SO calculation can choose the direction of magnetization, and that
> tells the orientation of the atomic spin moment. But for 2 magnetic atoms
> (or more), the direction of magnetization won't tell the the spin-moment
> orientations of individual atoms (at least I don't know how).
>   Can Wien2k figure out the relative orientation between the spin
> moments of the magnetic atoms?
>  
> Thanks,
> Chiung-Yuan
> 
> 
> ------------------------------------------------------------------------
> 
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien

-- 
Dr. Torsten Andersen        TA-web: http://deep.at/myspace/
AG Hübner, Department of Physics, Kaiserslautern University
http://cmt.physik.uni-kl.de    http://www.physik.uni-kl.de/