[Pw_forum] band structure in noncollinear calculation

Peng Chen pchen at ion.chem.utk.edu
Mon Oct 22 18:18:22 CEST 2012

Dear All,

I did noncollinear GGA calculation. In the material, some spins align in x
axis and some align in y axis, but the whole system is still an AFM. In the
band structure result  which is attached, the bands start to split in the
s->gamma path. I am not quite understand this result because I expect to
see the  degenerate majority/minority bands.  Moreover, how can I separate
majority/minority bands in the noncollinear case?  Thank you in advance for
any help you can provide.

  Best Regards.
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