[Wien] in which direction do the spins point?

[Stefaan Cottenier]

> Which is the direction of the up- and down-spins with respect to the crystallographic axes when a spin-polarized calculation is performed?
>   
This is not defined as long as spin-orbit coupling is not included (to 
avoid confusion, it would be better to speak about majority and minority 
spins, rather than about up and down). If you add spin-orbit coupling, 
the direction is specified in case.inso (same direction for all atoms). 
If you need different directions for different atoms, you have to turn 
to WIENNCM rather than WIEN2k.

Stefaan


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