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For LNONCOLLINEAR=.TRUE., i.e., spin-orbit coupling case, the following formula is used by vasp to calculate the non-collinear projected magnetization:

1/2 \sum _{\mu ,\nu =1}^{2}\sigma _{\mu \nu }^{j}\langle \chi _{n{\bf {k}}}^{\mu }|Y_{lm}^{\alpha }\rangle \langle Y_{lm}^{\alpha }|\chi _{n{\bf {k}}}^{\nu }\rangle

But the formula, in my opinion, is still a little complicated. Would you please explain to me the physical meaning and the work logic behind it?

Regards,
HZ

Hi,

We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. I would advise reading through the reference on the LNONCOLLINEAR wiki page and then subsequent references therein. If this does not help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.

Best wishes,

VASP