[Pw_forum] Symmetry of the band states

[程迎春]

I think bands.x is what you needs. You can find it in the QE package.

2009/9/3 Dr Silvia Bakalova <Silvia.Bakalova-Hadjikrasteva at bristol.ac.uk>

> 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/
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-- 
Y. C. Cheng
Department of Physics
Nanjing University
Nanjing 210093
P. R. China
Tel: 86-25-83592907
Email: yccheng.nju at gmail.com
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