[Pw_forum] band structure for fullerene
Farzad Molani
farzad_c81 at yahoo.com
Sun May 18 23:28:38 CEST 2014
Dear PWSCF users,
I'm going to draw band structure for fullerene, but I have some problems.
What is the best ibrav for fullerene? Is ibrav=2 correct?
in addition, what is the best K-POINT direction for drawing band structure?
please help me
best regards
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