[Wien] Component of spin polarization

[Peter Blaha]

run:

x lapwdm -up -so   and check the case.scfdmup file.

On 02/28/2018 11:50 AM, Md. Fhokrul Islam wrote:
> Hi Prof Blaha and Wien2k users,
> 
> I am interested in calculating expectation values of different 
> components of spin operator for a given quantization direction for a 
> surface calculation. More specifically, if I set quantization along some 
> in-plane direction, say along x-axis (in case.inso file), how can I 
> obtain the expectation value of out-of-plane component <Sz> from Wien2k 
> calculations? Is it saved in some output file?
> 
> 
> Thanks,
> Fhokrul
> 
> 
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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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Email: blaha at theochem.tuwien.ac.at    WIEN2k: http://www.wien2k.at
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