[Pw_forum] About band diagram calculation

Yi-Kai Huang ykhuang0731 at gmail.com
Sat Dec 6 07:03:28 CET 2008


Dear all,

I am new to the computation world, and recently I start to calculate
band diagram.
However I have a question, how to know which specific k points
(symmetry points) I should use for some special structures?
Like if I have a rutile or perovskite structure material.

Thanks for the help!

Yi-Kai



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