Thank you Wang for you answer. I found carbon nanotubes input files using ibrav=6 and others using ibrav=8, so how can I which one I should use? Another question: what is the difference between scf and relax calculations since all DFT are self consistent?
Mahmoud On Jun 15, 2013, at 4:03, "pw_forum-request at pwscf.org<mailto:pw_forum-request at pwscf.org>" <pw_forum-request at pwscf.org<mailto:pw_forum-request at pwscf.org>> wrote: Wang -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20130615/a4681807/attachment.html
