Dear Fariba, after a pw.x (SCF) run, just execute pp.x with the proper option for output_format, see Doc/INPUT_PP.txt : Namely, output_format=6
It should be not much different than the charge density plot you find in espresso-5.0/PP/examples/example01 Notice: your file will contain one orbital at a time. Regards, Guido On 06/27/2012 04:59 PM, nazari at iasbs.ac.ir wrote: > Dear All, > I need to have a cube file including the Kohn-Sham orbitals . How I can > produce it from the pwscf output. > Regards > Fariba Nazari > IASBS -- Guido Fratesi Dipartimento di Scienza dei Materiali Universita` degli Studi di Milano-Bicocca via Cozzi 53, 20125 Milano, Italy
