[Pw_forum] POPULATION OF CHARGE

[Giuseppe Mattioli]

You can use the projwfc program to project Kohn-Sham wavefunction on  
an atom-centered basis set, and to calculate Lowdin charges, total and  
for different angular-momentum channels. This information is contained  
into the standard output. projwfc produces also a lot of other files.  
Maybe the population of each orbital is contained in one/some of the  
files...
HTH
Giuseppe

Giuseppe Mattioli
ISM-CNR
Italy


Quoting bhabya sahoo <bdslipun at gmail.com>:

> can espresso give the population of charge in in each orbital?
>
>
>
>
>
>
>
>
>
>
>
> b d sahoo
>
> reserch scolar
>
>
> mumbai
>