Thank you for the reply, Gabriele.<br>Yes, this is @Gamma, the states are degenerate, but I wonder why they have different irreducible representations (G_5+ and G_6+)? <br><br><pre>Silvia Bakalova wrote:<br>><i> Hi,<br>
</i>><i> <br></i>><i> I have one question: for spin-orbit calculations, the energy bands are <br></i>><i> labelled with double point group notation (D3d’ in my case).<br></i>><i> <br></i>><i> Some of the energy-degenerate states have different irrep labels and I <br>
</i>><i> wonder why…<br></i>><i> <br></i><br>At which k-point? I think that at Gamma they have to be degenerate if time reversal <br>symmetry holds (i.e. no magnetic field).<br><br><br>GS<br><br>><i> e.g. the valence band top:<br>
</i>><i> <br></i>><i> e( 45 - 46) = 7.09176 eV 2 --> G_5+ L_4+ <br></i>><i> <br></i>><i> e( 45 - 46) = 7.09176 eV 2 --> G_6+ L_5+ <br></i>><i> <br></i>><i> I would be grateful for your reply or some literature reference, as I am <br>
</i>><i> not familiar with the group theory.<br></i>><i> <br></i>><i> Many thanks,<br></i>><i> <br></i>><i> Silvia<br></i>><i> <br></i>><i> <br></i>><i> ----------------------<br></i>><i> Dr. Silvia Bakalova,<br>
</i>><i> Post Doctoral Researcher,<br></i>><i> HH Wills Physics Laboratory,<br></i>><i> Bristol, BS8 1TL, UK<br></i>><i> <a href="http://spectra.phy.bris.ac.uk/">http://spectra.phy.bris.ac.uk/</a><br></i>><i> <br>
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