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General Questions and Answers / Re: Error in band-structure plotting when spin-orbit coupling is included in QE
« on: June 8, 2017, 14:47 »
Hello Jess,
indeed. I just tried a scf and subsequent bands calculation with spin-orbit. VNL can plot the bands with the band structure analyzer, but is unable to project the charge density. I guess this has to do with spin-up spin-down differences in a spin-polarized file. But i'am simply not sure.
However, thanks a lot for the reply.
Best regards
indeed. I just tried a scf and subsequent bands calculation with spin-orbit. VNL can plot the bands with the band structure analyzer, but is unable to project the charge density. I guess this has to do with spin-up spin-down differences in a spin-polarized file. But i'am simply not sure.
However, thanks a lot for the reply.
Best regards