if N N N 0 0 0 is k-points you used for 1x1, then use N/2 N/2 N/2 0 0 0 for 2X2 cell
Shu On Mon, Mar 28, 2011 at 9:18 PM, ??? <tfcao at theory.issp.ac.cn> wrote: > Dear QE users: > I want to do band structure the graphene with one hydrogen absorbed on it > .And I have chosen the 2 x 2 supercell . So for this how can choose the > K_point .Is it the same as the 1x1. Perhaps it is a silly question to you. > But I do not fully understand this and need your help. Thank you. > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110328/d0dffb14/attachment.htm
