Dear all I want to do relax calculation for a moelcular wire at x-y plane. What is the best k-points for my structutre? I've choosed k-points=2 2 2 1 1 1 for it.
very best wishes -- Khadije Khalili Ph.D Student of Solid-State Physics Department of Physics University of Mazandaran Babolsar, Iran kh.khalili at stu.umz.ac.ir -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20131225/eb1d9b01/attachment.html
