Dear ?ric, I would say that, for a uniformly spaced grid of k-points, specifying the number of k-points is equivalent to specify the grid spacing (along each basis vector of the reciprocal space independently). Since you know the direct lattice vectors, then you can get the length of the reciprocal lattice vectors, which is the only thing missing.
Gabriele Il giorno 05/mag/2011, alle ore 16.14, Eric Germaneau ha scritto: > Dear all, > > I'm wondering whether it's possible to generate k-vectors for the Brillouin > sampling using > a grid of spacing instead of a number of vectors. > Thank you, > > ?ric. > > -- > Be the change you wish to see in the world > ? Mahatma Gandhi ? > > Dr. ?ric Germaneau > > College of Physical Sciences > Graduate University of Chinese Academy of Sciences > Yuquan Road 19A > Beijing 100049 > China > > Please, if possible, don't send me MS Word or PowerPoint attachments > Why? See: http://www.gnu.org/philosophy/no-word-attachments.html > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum ? Gabriele Sclauzero, EPFL SB ITP CSEA PH H2 462, Station 3, CH-1015 Lausanne -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110505/355c888c/attachment.htm
