[Wien] in which direction do the spins point?

[Robert Laskowski]

without spin-orbit coupling such a direction is arbitrary, and is specified nowhere. In such case
any rotation of the of an eigenvector in spin space is correct eigenvector. For cases
when spin-orbit coupling is included this statement is not true, and direction of the spin magnetization
matters, and is specified in case.inso file.

regargs

Robert

On Friday 11 April 2008, katrusiat wrote:
> Dear creators of Wien2k,
> 
> Which is the direction of the up- and down-spins with respect to the crystallographic axes when a spin-polarized calculation is performed?
> 
> Thank you,
> Kateryna Foyevtsova
> 
> 
> 
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-- 
Dr Robert Laskowski

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

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