On Tue, 2013-01-15 at 17:44 -0600, pari shok wrote: > I could not get the wavefunction squared for a structure which its scf > had already calculated with only gamma point with pp.x. > I read that plan_avg.x does the same calculation for gamma point, but > I have not found its input file. > I would appreciate if anybody could either show me a trick to get the > wavefunction squared of gamma point with plotnum=7 or plan_avg.x.
could you please provide an example showing when is not possible to plot the wavefunction squared at Gamma? I don't remember any such limitation. Plan_avg.x performs planar averages, so it is a different object. It is little documented and you have to look into the code and experiment a bit to figure out how it works P. -- Paolo Giannozzi, IOM-Democritos and University of Udine, Italy
