<html><head></head><body bgcolor="#FFFFFF"><div>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<br><br>--<div>Stefano Baroni, Trieste -- swift message written and sent on the go</div></div><div><br>On 22/ott/2012, at 18:18, Peng Chen <<a href="mailto:pchen@ion.chem.utk.edu">pchen@ion.chem.utk.edu</a>> wrote:<br><br></div><div></div><blockquote type="cite"><div>Dear All,<div><br></div><div>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? <span style="color:rgb(34,34,34);font-size:12.800000190734863px;font-family:arial,sans-serif">Thank you in advance for any help you can provide.</span></div>
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<div><br></div>-- <br> Best Regards.<br> Peng <br>
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</div></blockquote><blockquote type="cite"><div><band_nonlinear.pdf></div></blockquote><blockquote type="cite"><div><span>_______________________________________________</span><br><span>Pw_forum mailing list</span><br><span><a href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a></span><br><span><a href="http://pwscf.org/mailman/listinfo/pw_forum">http://pwscf.org/mailman/listinfo/pw_forum</a></span></div></blockquote></body></html>