Kun Yin wrote: > "they contain a fractional translation that is incompatible with the FFT grid"
you can force the FFT grid to values that are compatible with fractional translations, if you really need to > I think this missing of symmetries will not affect calculation of groud > state energy. it doesn't > But if I use this scf calculation results to do phonon > calculations, can I get correct phonon band assignment? you get a phonon band assignment that is be correct for the symmetry the code has found Paolo -- Paolo Giannozzi, Democritos and University of Udine, Italy