[Wien] No inversion symmetry in magnetic case?

[Peter Blaha]

Without spin-orbit coupling, magnetism is NOT connected to the lattice. 
You should not think about a magnetization "direction", you may just 
think about majority and minority spin (or alpha and beta), which are 
not affected by spatial symmetry operations, but you should not think 
about a "z-direction" and a possible flip of this direction.

You can always check your calculations using    x kgen -fbz   or x kgen 
-so  and compare the results with a calculation with just x kgen  
(always with the identical k-mesh).

Am 13.05.2022 um 08:36 schrieb Ruoshi Jiang:
>
> Dear Sir,
>
> We can add the time inversion symmetry to generate the kgen when we 
> don’t have the inversion symmetry.
>
> I know it’s same when non-magnetic case.
>
> But in magnetic case, the time inversion symmetry will flip the spin 
> direction, which is not same as the inversion symmetry.
>
> Can we do it the same way?
>
> In the userguide, it said the magnetic + soc is not available, what 
> about the pure magnetic case?
>
> Kind Regards
>
> Rossie
>
>
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-- 
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Peter Blaha,  Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna
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Email:peter.blaha at tuwien.ac.at           
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