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

[Andreussi, Oliviero]

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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