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://pwscf.org/pipermail/pw_forum/attachments/20140516/32220d9e/attachment.html
