[Pw_forum] Symmetry of the band states

[Dr Silvia Bakalova]

Hi,
I have obtained the band structure, PDOS and dielectric function of B12As2 
with QE (pw.x/projwfc.x/epsilon.x).
I need some advice in how to determine the symmetry of the band states 
(classes of symmetry at high-symmetry points and for every band). So far:
- I can determine which orbitals contribute to which band form the 
projections (s, pz, px? etc of As and B)
- I printed the character table (indeed it is D_3d)
Should I visualize the wfs and see their symmetry (symmetry under inversion 
/ under reflection from vertical plane associated with the Laporte 
selection rule)?
Thanks in advance,
Silvia


----------------------
Dr. Silvia Bakalova,
Post Doctoral Researcher,
HH Wills Physics Laboratory,
Bristol, BS8 1TL, UK
http://spectra.phy.bris.ac.uk/