[Wien] Orientation of Atomic Spin Moments

[Robert Laskowski]

Dear Chiung-Yuan,

for this type of problem you can use non-collinear version of WIEN2k, where 
relative orientation of magnetic moments is not constrained to colinear. 
Moreover the calculations can be run for any orientations of individual 
atomic moments.

  regards

  Robert



> 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
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-- 
Dr Robert Laskowski

Vienna University of Technology, 
Institute of Materials Chemistry, 
Getreidemarkt 9/165-TC, A-1060 Vienna

tel. +43 1 58801 15678
Fax  +43 1 58801 15698