<div dir="ltr"> I will try to follow your advice and see how it works.<div>Thank you!<br><div><br></div><div>Fangyong</div></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Fri, Mar 13, 2020 at 12:51 PM <<a href="mailto:hut...@chem.uzh.ch">hut...@chem.uzh.ch</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">Hi<br>
<br>
there is no direct way to do this available. <br>
However, you can get the electric field as a cube file and then <br>
interpolate the grid values for the atomic positions.<br>
<br>
regards<br>
<br>
Juerg Hutter<br>
--------------------------------------------------------------<br>
Juerg Hutter                         Phone : ++41 44 635 4491<br>
Institut für Chemie C                FAX   : ++41 44 635 6838<br>
Universität Zürich                   E-mail: <a href="mailto:hut...@chem.uzh.ch" target="_blank">hut...@chem.uzh.ch</a><br>
Winterthurerstrasse 190<br>
CH-8057 Zürich, Switzerland<br>
---------------------------------------------------------------<br>
<br>
-----<a href="mailto:cp...@googlegroups.com" target="_blank">cp...@googlegroups.com</a> wrote: -----<br>
To: "cp2k" <<a href="mailto:cp...@googlegroups.com" target="_blank">cp...@googlegroups.com</a>><br>
From: "Fangyong Yan" <br>
Sent by: <a href="mailto:cp...@googlegroups.com" target="_blank">cp...@googlegroups.com</a><br>
Date: 03/12/2020 10:35PM<br>
Subject: [CP2K:12970] print electric field for each atom<br>
<br>
Hi,<br>
<br>
I know CP2K can print electric field gradient for each atom, but can CP2K print electric field for each atom? Thanks!<br>
<br>
Fangyong  <br>
  -- <br>
 You received this message because you are subscribed to the Google Groups "cp2k" group.<br>
 To unsubscribe from this group and stop receiving emails from it, send an email to <a href="mailto:cp2k%2Bun...@googlegroups.com" target="_blank">cp...@googlegroups.com</a>.<br>
 To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/62877724-fa8b-4109-9243-60ede5832cb3%40googlegroups.com" rel="noreferrer" target="_blank">https://groups.google.com/d/msgid/cp2k/62877724-fa8b-4109-9243-60ede5832cb3%40googlegroups.com</a>.<br>
<br>
<br>
-- <br>
You received this message because you are subscribed to the Google Groups "cp2k" group.<br>
To unsubscribe from this group and stop receiving emails from it, send an email to <a href="mailto:cp2k%2Bun...@googlegroups.com" target="_blank">cp...@googlegroups.com</a>.<br>
To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/OFE332A5B0.A2A33624-ONC125852A.005C8699-C125852A.005CA142%40lotus.uzh.ch" rel="noreferrer" target="_blank">https://groups.google.com/d/msgid/cp2k/OFE332A5B0.A2A33624-ONC125852A.005C8699-C125852A.005CA142%40lotus.uzh.ch</a>.<br>
</blockquote></div>