[Pw_forum] Charge density inside the core

[Baowei Liu]

Well, maybe this is not a well-formulated question. But what I want is
charge density both inside and outside the core. If I understand
correctly, gipaw.x can get reconstructed all-electron wavefunctions
(so the all-electron charge density?) from the pseudopotential
wavefunctions. Is it possible to save and extract the data (other than
induced current and magnetic field) like wavefunctions and charge
density.

On Fri, Apr 22, 2011 at 6:13 PM, Baowei Liu <bliu520 at gmail.com> wrote:
> Dear all,
>
> pp.x can save the charge density outside the core. Is there a way to
> get the charge density inside the core?
>
> Thanks in advance!
>
> Baowei Liu
>