[Pw_forum] strange bandstructure
idoldog at gmail.com
Wed Mar 4 17:03:50 CET 2009
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.
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