Dear All, I wish to have a kohn-sham orbitals for different states in cube format.? In? pp.x if? the output format 6 is chosen the cube file will be produced but? the density is written in cube format ( header of output: Cubfile created from PWScf calculation, Total SCF Density). How can I obtain the kohen-sham orbitals in cube file format. Regards Fariba Nazari IASBS
> On Fri, Jun 29, 2012 at 11:14 AM, <nazari at iasbs.ac.ir> wrote: > >> Dear All, >> Would you please let me know if it is possible that the kohn-Sham >> orbitals is written in cube format. I mean I need the PSI(r) in cube >> format?? not density. >> regards >> Fariba Nazari >> IASBS? > >
