[Pw_forum] a suitable direction for k-POINT

[Farzad Molani]

Dear PWSCF users,
I'm going to drawing 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?
best regards

 
Farzad Molani,
Ph.D Student,
Department of Theoretical Physical Chemistry,
K. N. Toosi University of Technology,
Tehran, Iran.
Tel.: 009891 4442 3308009891 4442 3308
Tel.: 009821 2306 4280009821 2306 4280 
Fax:  009821 2285 3650 
Web:  http://www.chem.kntu.ac.ir/~sjalili:/
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20140516/32220d9e/attachment.html>