[Pw_forum] energy-degenerate states with different irrep labels

[Silvia Bakalova]

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…

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/
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20091009/f4dcc61b/attachment.html>