[Pw_forum] strange bandstructure
marcel at physik.tu-berlin.de
Wed Mar 4 17:08:36 CET 2009
the crossing comes from your viewer program, it does not know, which
points should be connected.
Marcel Mohr Institut für Festkörperphysik, TU Berlin
marcel(at)physik.tu-berlin.de Sekr. EW 5-4
TEL: +49-30-314 24442 Hardenbergstr. 36
FAX: +49-30-314 27705 10623 Berlin
On Thu, 5 Mar 2009, 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
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> Pw_forum at pwscf.org
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