Hi idoldog, I presume what you're referring to as 'strange' is the lines jumping from one band to another. This is, as I understand it, the bands.x code not seeing enough overlap between the kpoints to order them properly. There are two ways to fix this:
(a) Run with more points per line in k-space (b) If you're only interested in a few bands, fix them by hand. Good luck! Lex Kemper University of Florida idoldog wrote: > Dear PWSCF user, > > I just finished a bandstructure calculation about semiconductor SrTiO3. I get > a strange bandstructure. > > In order to see clearly, I redraw the graph and mark same bands, which may be > wrong, with different colors. > > Some friends tell me it would be better without lines. Another friends tell > me to change the path of markde lines. > > I want to know that whether these bands are correct and if they are wrong, > where my mistakes are and how to solve them. > > The server blocked my files attched, so please visit > graph with colorful > lines:http://pic.emuch.net/200903/04/33e7b7b230bfd248104b8ba1ada65361.jpg > graph without > line:http://pic.emuch.net/200903/04/4a2fdd6cbf9f7d0ce2df725c579e57ea.jpg > > If you couldn't visit them successfully, mail me. > > I need your help. > > all the best. > > Li Fei > 2009-03-04 > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum
