Paolo Giannozzi wrote: > I don't see why this confuses the logic of the symmetry check, > though, since there are no symmetry operations sending axis 1 > into 2.
sure there are! I don't know yet why the code contained in pw.x yields a different number of k-points wrt kpoints.x, but this is quite irrelevant: the 4,2,2 grid doesn't have the correct symmetry and should be discarded by pw.x Paolo -- Paolo Giannozzi, Democritos and University of Udine, Italy