[Wien] Orientation of Atomic orbital Moments

[Robert Laskowski]

> If I set the easy magnetization direction along c-axis
> in the calculations with spin-orbit coupling, but I get
> the orbital moment, e.g., (0, 0.5, -0.5) uB. That is,
> besides the c-component, the b-component is also
> present. Does it mean the (01-1) instead (001) is
> most probably an easy  magnetization direction ?

it means that orbital moment is not colinear with spin moment.
In a case of orbital moment whole density matrix is
calculated by lapwdm, and all components of the vector are in output.

I think you have to add spin and orbital moments. But S_x and S_y are not 
calculated, and you can only hope they are zero.

  regards

  Robert
-- 
Dr Robert Laskowski

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

tel. +43 1 58801 15678
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