The concept of "majority/minority" spin is ill defined in a non-collinear structure, because different spin components do not commute with each other. SB
-- Stefano Baroni, Trieste -- swift message written and sent on the go On 22/ott/2012, at 18:18, Peng Chen <pchen at ion.chem.utk.edu> wrote: > 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 > <band_nonlinear.pdf> > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20121024/11c24013/attachment.html
