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: [email protected]<mailto:[email protected]> > Phone: +1-(940)-369-5316 > Skype: olivieroandreussi > Web: https://www.materialab.org > > On Jul 21, 2020, at 2:07 PM, > [email protected]<mailto:[email protected]> 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 > > _______________________________________________ > Quantum ESPRESSO is supported by MaX > (https://nam04.safelinks.protection.outlook.com/?url=http%3A%2F%2Fwww.max-centre.eu%2Fquantum-espresso&data=02%7C01%7Coliviero.andreussi%40unt.edu%7C6913af3f973746833c5908d82da96fb5%7C70de199207c6480fa318a1afcba03983%7C0%7C0%7C637309553048297607&sdata=SsrgQv0DA4sfH6JgXlfA1DSjKWRLF9N%2F0t58kZ5Pgmw%3D&reserved=0) > users mailing list > [email protected]<mailto:[email protected]> > https://nam04.safelinks.protection.outlook.com/?url=https%3A%2F%2Flists.quantum-espresso.org%2Fmailman%2Flistinfo%2Fusers&data=02%7C01%7Coliviero.andreussi%40unt.edu%7C6913af3f973746833c5908d82da96fb5%7C70de199207c6480fa318a1afcba03983%7C0%7C0%7C637309553048297607&sdata=EzZzD8zcbQ7TNIMWXJdEIV6azdMAWQbWk8xMdj9ivms%3D&reserved=0 > > _______________________________________________ > Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) > users mailing list [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
