Band decomposed charge density with spin orbit coupling

[hchen]

Hello,

I did a self-consistent calculation with LSORBIT=T. Then I tried to get the partial charge density by setting LPARD = T. However I found the resulting PARCHG file includes a large amount of negative values, and integrating it in whole space does not give an integer total charge. Moreover, unlike the CHGCAR in self-consistent calculation where there are four blocks corresponding to total charge and mx, my, mz, the PARCHG file has only one block. My question is what's the physical meaning of the PARCHG values with SOC?

Any input greatly appreciated.

[support_vasp]

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