[QE-users] Quantum ESPRESSO Partial charges?

[Paolo Giannozzi]

Code "projwfc.x" should do what you need. Please see the examples and the
documentation in the PP/ subdirectory

Paolo

On Mon, Dec 2, 2019 at 4:18 PM Sabike Ghasemi <s.ghasemi at du.ac.ir> wrote:

> Hi all
> I need to obtain partial charge on per atom in my structure with quantum
> espresso. Is it possible?
>
> can enyone help me?
>
> Best regards,
>
>
>
> Sabike Ghasemi, PhD student, Iran.
>
>
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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