[Pw_forum] energy-degenerate states with different irrep labels

[Silvia Bakalova]

Thank you for the reply, Gabriele.
Yes, this is @Gamma, the states are degenerate, but I wonder why they have
different irreducible representations (G_5+ and G_6+)?

Silvia Bakalova wrote:
>* Hi,
*>*
*>* I have one question: for spin-orbit calculations, the energy bands are
*>* labelled with double point group notation (D3d’ in my case).
*>*
*>* Some of the energy-degenerate states have different irrep labels and I
*>* wonder why…
*>*
*
At which k-point? I think that at Gamma they have to be degenerate if
time reversal
symmetry holds (i.e. no magnetic field).


GS

>* e.g. the valence band top:
*>*
*>*      e( 45 - 46) =      7.09176  eV     2   --> G_5+  L_4+
*>*
*>*      e( 45 - 46) =      7.09176  eV     2   --> G_6+  L_5+
*>*
*>* I would be grateful for your reply or some literature reference, as I am
*>* not familiar with the group theory.
*>*
*>* Many thanks,
*>*
*>* Silvia
*>*
*>*
*>* ----------------------
*>* Dr. Silvia Bakalova,
*>* Post Doctoral Researcher,
*>* HH Wills Physics Laboratory,
*>* Bristol, BS8 1TL, UK
*>* http://spectra.phy.bris.ac.uk/
*>*
*>*
*>*
*>* ------------------------------------------------------------------------
*>*
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|* Gabriele Sclauzero, PhD Student                  |
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