Lorenzo Paulatto wrote: > If I remember correctly symmetry is applied only on the FFT grid, the > dimensions of the smooth grid should not matter.
you remeber correctly, but actuyally there is no ]strong reason for such choice: the part of the charge density that has to be symmetrized is calculated in the smooth grid > Likely they are too small with respect to what your cutoffs requires! one can try to reduce a little bit the fft dimensions, but success is not guaranteed! anyway the code should loudly complain P. -- Paolo Giannozzi, Democritos and University of Udine, Italy
