[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.
Peng
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