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/ > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > -- Y. C. Cheng Department of Physics Nanjing University Nanjing 210093 P. R. China Tel: 86-25-83592907 Email: yccheng.nju at gmail.com -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090903/1e0e7c5a/attachment.htm
