[Wien] Questions about SOC

[Ruoshi Jiang]

Dear Wien2k users,

I have a couple of questions about the spin-orbit coupling, for example:

1.What’s the context of this case.normso, is  the context about density in the spherical sphere? I can’t find the introduction of this file in the manual.

2.How does the density of full BZ calculated from B type symmetry operations on irre k points in lapw2 procedure since B type invert the spin dn to spin up? It seems the input files of “lapw2 -up -so” only use the up information, without dn information.

3.If one use the scaler relativistic in the sphere and non-relativistic in interstitial, will the radius function at the transition radius Rc be discontinuous?

Is there any detailed introduction of the spin-orbit coupling calculation? 

Looking forward to your reply.

Best wishes,
Rossie.

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