On Sun, 2013-03-03 at 12:12 +0330, nazari at iasbs.ac.ir wrote: > I nead wave function in r mesh and cube format. > Where can I start for obtaining it?
pp.x produces |psi(r)|^2 in the FFT grid, and also in a "cube" file. See PP/Doc/INPUT_PP.* P. -- Paolo Giannozzi, IOM-Democritos and University of Udine, Italy
