Hi,
Roland Gillen wrote: snipped
However, in SIESTA we could also define the supercell (and thus the MP grid) by something like %block kgrid_Monkhorst_Pack a d 0 0.0 0 b 0 0.0 0 0 c 0.0 %endblock kgrid_Monkhorst_Pack
I thought the meaning of the above was that the MP grid is build based on g1' = g1/a + g2/d g2' = g2/b g3' = g3/c somewhat simpler than your argument in a sense. One guy proposed diving into the code and see. Perhaps one of the developers could give us a hint ?. Cheers, Roberto
