Hello fellow SIESTA users, I've run some optical calculations, but I'm disappointed that I cannot scan low frequencies, it seems less that 0.0001Ry. Is there some way around this? When I specify an optical energy minimum of less than the above value, my output file reads 0.0000Ry; and likewise with the gaussian broadening term. I'd like to model optical properties in the MHz, KHz, etc. range, but this doesn't seem possible. I've also tried specifying the parameters with scientific notation, e.g. 1e-10, but the program crashes with:
3 - MPI_REDUCE : Invalid buffer pointer: Arguments must specify different buffers (no aliasing)_DIST at the command prompt. Comments/suggestions appreciated, Chris K. Rowan M.Sc. Candidate University of Victoria Canada
