<html>
<head>
<meta http-equiv="Content-Type" content="text/html; charset=utf-8">
</head>
<body style="word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class="">
Hi Dominik,
<div class=""><br class="">
</div>
<div class="">Environ (<a href="http://www.quantum-environ.org" class="">www.quantum-environ.org</a>) 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.</div>
<div class=""><br class="">
</div>
<div class="">Best,</div>
<div class=""><br class="">
</div>
<div class="">Oliviero</div>
<div class=""><br class="">
<div class="">
<div dir="auto" style="caret-color: rgb(0, 0, 0); color: rgb(0, 0, 0); letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none; word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class="">
<div dir="auto" style="caret-color: rgb(0, 0, 0); color: rgb(0, 0, 0); letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none; word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class="">
<div dir="auto" style="word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class="">
<div style="caret-color: rgb(0, 0, 0); color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-caps: normal; font-weight: normal; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none;">
Oliviero Andreussi<br class="">
--<br class="">
Assistant Professor<br class="">
Department of Physics<br class="">
University of North Texas<br class="">
<a href="mailto:oliviero.andreussi@unt.edu" class="">Email: oliviero.andreussi@unt.edu</a> </div>
<div style="caret-color: rgb(0, 0, 0); color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-caps: normal; font-weight: normal; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none;">
Phone: +1-(940)-369-5316<br class="">
Skype: olivieroandreussi<br class="">
Web: <a href="https://www.materialab.org" class="">https://www.materialab.org</a></div>
</div>
</div>
</div>
</div>
<div><br class="">
<blockquote type="cite" class="">
<div class="">On Jul 21, 2020, at 2:07 PM, <a href="mailto:dv009200@fh-muenster.de" class="">
dv009200@fh-muenster.de</a> wrote:</div>
<br class="Apple-interchange-newline">
<div class="">
<div class="">Dear Quantum ESPRESSO community,<br class="">
<br class="">
I know about the options to model external homogenous electrical fields<br class="">
(through modern theory of polarization or to use a saw like potential). I<br class="">
was wondering is it also possible to model an external electrical field<br class="">
that is induced by a point charge?<br class="">
<br class="">
Best regards<br class="">
<br class="">
Dominik<br class="">
<br class="">
Dominik Voigt<br class="">
<br class="">
Dominik Voigt<br class="">
PhD Student University of Applied Sciences Münster<br class="">
Department of Physical Chemistry<br class="">
<br class="">
_______________________________________________<br class="">
Quantum ESPRESSO is supported by MaX (<a href="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" class="">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</a>)<br class="">
users mailing list <a href="mailto:users@lists.quantum-espresso.org" class="">users@lists.quantum-espresso.org</a><br class="">
<a href="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" class="">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</a><br class="">
</div>
</div>
</blockquote>
</div>
<br class="">
</div>
</body>
</html>