[QE-users] Quantum ESPRESSO Partial charges?
Paolo Giannozzi
p.giannozzi at gmail.com
Tue Dec 3 19:19:49 CET 2019
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.
>
>
> _______________________________________________
> Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso)
> users mailing list users at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users
--
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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20191203/53530400/attachment.html>
More information about the users
mailing list