[Pw_forum] CNT unit cell vectors

Mahmoud Hammouri mhm at nmsu.edu
Sat Jun 15 20:00:56 CEST 2013

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?


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:

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