I think that kpoints.x in pwtools does a different thing. It generates a regular b1 x n2 x n3 grid of k-points (reduced by the symmetry of the Bravais lattice) which can be used to sample the BZ. It is not meant to generate a path in k-space (i.e. a sequence of points that can be used to plot a band structure).
HTH GS Il giorno 13/dic/2010, alle ore 12.24, ???????? ha scritto: > I always use "xcrysden" to generate high symmetry k-point and then use this > "bk.exe" (I have upload file)to generate all k-point which is along high > symmetry.I never use pwtool,butI guess it may be the "kpoint.x". > _______________________________________________ > 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/20101213/dfc9dba1/attachment.htm
