[Pw_forum] energy-degenerate states with different irrep labels

[Gabriele Sclauzero]

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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