[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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20140518/c443c17c/attachment.html>


More information about the users mailing list