Dear Gabriele Sclauzero: >Just one additional note of caution: kpoints.x reduces the number of k-points (and compute >weights) according to the symmetry of the bravais lattice only, while the subroutine >kpoint_grid in PW/ used by pw.x takes into account the crystal symmetry (which can be >lower than the lattice symmetry if you have more than one atom per cell or non-collinear >magnetism)
I am confused with your statement:"crystal symmetry can be lower than the lattice symmetry if you have more than one atom per cell". Could you explain it more clearly? Or could you give me a simple example? Thank you ?? ____________________________________ Hui Wang School of physics, Nankai University, Tianjin, China -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090810/531940cb/attachment-0001.htm
