<div dir="ltr">Hi,<div><br></div><div>if you need to apply a static electric field along the simulation box, you can exploit the </div><div>EFIELD keyword, as pointed out here: <a href="https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/DFT/EFIELD.html">https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/DFT/EFIELD.html</a></div><div><br></div><div>Best regards,</div><div>Giuseppe</div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Fri, Apr 2, 2021 at 5:14 AM Evelyn Navarro <<a href="mailto:easa...@gmail.com">easa...@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><br>Can you talk a little bit about these methods for applying local or periodic e-fields.<br><div class="gmail_quote"><div dir="auto" class="gmail_attr">On Thursday, April 1, 2021 at 8:18:04 PM UTC+8 jgh wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">Hi
<br>
<br>you can define a ghost atom with a charge and no basis functions.
<br>This way you can define point charges or smeared charges by using
<br>a local pseudopotential.
<br>However, this will most likely not work for tight-binding Hamiltonians.
<br>
<br>BTW, there are several methods for applying local or periodic e-fields.
<br>
<br>regards
<br>
<br>Juerg Hutter
<br>--------------------------------------------------------------
<br>Juerg Hutter                         Phone : <a href="tel:+41%2044%20635%2044%2091" value="+41446354491" rel="nofollow" target="_blank">++41 44 635 4491</a>
<br>Institut für Chemie C                FAX   : <a href="tel:+41%2044%20635%2068%2038" value="+41446356838" rel="nofollow" target="_blank">++41 44 635 6838</a>
<br>Universität Zürich                   E-mail: <a rel="nofollow">h...@chem.uzh.ch</a>
<br>Winterthurerstrasse 190
<br>CH-8057 Zürich, Switzerland
<br>---------------------------------------------------------------
<br>
<br>-----<a rel="nofollow">c...@googlegroups.com</a> wrote: -----
<br>To: "cp2k" <<a rel="nofollow">c...@googlegroups.com</a>>
<br>From: "Evelyn Navarro" 
<br>Sent by: <a rel="nofollow">c...@googlegroups.com</a>
<br>Date: 04/01/2021 10:29AM
<br>Subject: [CP2K:15057] How do you create an electric field ?
<br>
<br>Hello,All
<br>
<br>I want to create an electric field by applying an electric charge to some of the atoms in the model.But I did not find the relevant keywords, whether there are these functions.
<br>
<br>Best wishes,  
<br>Evelyn  
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<br> 
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