[Pw_forum] PAW and core electrons

[eugenia wetrowa]

In the other words, does the .wfc obtained by PAW procedure includes all
electrons?

2017-03-23 16:22 GMT+03:00 eugenia wetrowa <we09090 at gmail.com>:

> Hello!
> Can QE help to know something about core electrons after relaxation? I
> read that when using PAW pseudopotentials it's possible to extract
> all-electronic (core and valence both?) charge density, but it is not clear
> for me how it  works. Does core density changes to fit "solution" after
> system converged?  Is it possible to know core wfcs, core energies?
>
> Sincerely,
> Eugenia W.
> NRNU Moscow.
>
>
>
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