I am sorry to bother you again. Could I get an answer about this question? I appreciate your help very much. Best, Hong Dear QE masters,I have questions about the tag "lsigma(i)" in the bands.x run. Please help.My question is : my previous calculations are noncollinear+soc, which usespinor wavefunctions. Then I use bands.x to generate bandstructure data.However, in the previous runs, I used constrained_magnetization='totaldirection' and other keywords to keep all the magnetization of ions alongthe y axis, not z axis. Then if I want to get the major or minor spinstates for each band and each k point, which one I should use: "lsigma(2)=.true." or " lsigma(3)=.true." ?Please let me know what is the actual spin quantization direction in mycase here, since I kept all magnetization along y.Best,HongSent from Mail for Windows |
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