Dear Users I want to relax a molecule in X-Y plane. What is the best k-point for my caculation? What the diference between 2 2 1 1 1 0 and 2 2 1 1 1 1?
Best Wishes -- Khadije Khalili PhD Student of Solid-State Physics Nanothechnology group, University of Mazandaran, Babolsar, Iran -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20130616/a6cb3254/attachment.html
