[QE-users] [EXT] External electrical field through point charge

[dv009200 at fh-muenster.de]

Thanks Oliviero I will test that!

Best regards

Dominik

> Hi Dominik,
>
> Environ (www.quantum-environ.org<http://www.quantum-environ.org>) allows
> to add both a homogeneous electric field and fixed charges in your
> simulation cell. Fixed charges can be planes of charges, lines of charges,
> or point charges, in any number and configuration. All these charges are
> smeared with a gaussian profile, which you can specify in the input. If
> you have questions on how to use it, there is some documentation on the
> website, there is a google group and you can always ask here in the QE
> forum.
>
> Best,
>
> Oliviero
>
> Oliviero Andreussi
> --
> Assistant Professor
> Department of Physics
> University of North Texas
> Email: oliviero.andreussi at unt.edu<mailto:oliviero.andreussi at unt.edu>
> Phone: +1-(940)-369-5316
> Skype: olivieroandreussi
> Web: https://www.materialab.org
>
> On Jul 21, 2020, at 2:07 PM,
> dv009200 at fh-muenster.de<mailto:dv009200 at fh-muenster.de> wrote:
>
> Dear Quantum ESPRESSO community,
>
> I know about the options to model external homogenous electrical fields
> (through modern theory of polarization or to use a saw like potential). I
> was wondering is it also possible to model an external electrical field
> that is induced by a point charge?
>
> Best regards
>
> Dominik
>
> Dominik Voigt
>
> Dominik Voigt
> PhD Student University of Applied Sciences Münster
> Department of Physical Chemistry
>
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