On Mon, 2013-03-04 at 12:30 +0330, nazari at iasbs.ac.ir wrote: > How can I get psi(r) in cube format instead of psi(r)^2?
you cannot: \psi(r) is in general complex. What you can do, only in the case of Gamma-only calculations, is to use option 'lsign' to save |\psi(r)|^ sign(\psi(r)) P. -- Paolo Giannozzi, IOM-Democritos and University of Udine, Italy
