[Wien] Fwd: Re: Components of spin momentum in crystal coordinate system

[Peter Blaha]

Look into the case.scfdmup file. Last line with label :SPI001 contains 
sx,sy,sz.

On 2/25/20 1:49 AM, Artem Tarasov wrote:
> Dear P. Blaha
> 
> Now I understand that I was wrong about a location of the spin texture 
> information (sx,sy,sz).
> I thought that the ":XOP" line in .outputdm is exactly what I need, but 
> now I see my obvious error.
> In this file I can find only matrix representations of sx, sy and sz, 
> but not their absolute values.
> Could you kindly explain me how I can extract these values from output 
> files of lapwdm?
> 
> Sincerely yours,
> Artem Tarasov
> Department of Solid State Electronics
> SPSU.
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-- 

                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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