[Pw_forum] Kohn-Sham orbitals cube file, pp.x, output: 6

nazari at iasbs.ac.ir nazari at iasbs.ac.ir
Fri Jun 29 11:14:13 CEST 2012



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



> 
> 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 
> 
> 
> 
> 
> 
> 
> 
> . 
> 
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