[Wien] spin polarization of valence states

[Peter Blaha]

Of course in tungsgten even with SO included, the net magnetic moment is 
zero and there is no difference between spin-up and dn densities 
(integrated over all states of the BZ).
You are also right, SO could give you some splitting of a state at a 
certain k-point (leading to possible spin-polarization), but there will
be an equivalent k-point in the BZ where this SO effect is just the 
opposite, so in summary the effect is zero.

Oleg Artamonov schrieb:
> Dear Wien users,
>  
> Can anybody answer my question. I want to get information about the 
> spin-polarization of the valence states. One can expect in the case of 
> tungsten the significant energy shift between spin-up and spin-down 
> particular states. How is it possible to extract the spin polarization 
> state from the result of calculations with the spin-orbit interaction 
> taken into account?. I use Wien2k_7.
> Thanks,
>             Oleg Artamonov.
> 
> 
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