Paul M. Grant wrote: > BTW, I never could figure out or get answered what plot_num=3 was doing it calculates f(r) = \sum_i |\psi_i(r)|^2 \delta(\epsilon_i-E_F) I think. No idea who is using it for what purpose, though. P. -- Paolo Giannozzi, Democritos and University of Udine, Italy