<?xml version="1.0" encoding="utf-8"?>
<rss version="2.0" xmlns:atom="http://www.w3.org/2005/Atom">
	<channel>
		<atom:link href="http://sobereva.com/wfnbbs/extern.php?action=feed&amp;tid=654&amp;type=rss" rel="self" type="application/rss+xml" />
		<title><![CDATA[Multiwfn forum / Electric Field  Calculations and Visualisation]]></title>
		<link>http://sobereva.com/wfnbbs/viewtopic.php?id=654</link>
		<description><![CDATA[The most recent posts in Electric Field  Calculations and Visualisation.]]></description>
		<lastBuildDate>Fri, 01 Apr 2022 08:27:44 +0000</lastBuildDate>
		<generator>FluxBB</generator>
		<item>
			<title><![CDATA[Re: Electric Field  Calculations and Visualisation]]></title>
			<link>http://sobereva.com/wfnbbs/viewtopic.php?pid=2417#p2417</link>
			<description><![CDATA[<p>Dear Sayan,</p><p>You can produce cube file of electrostatic potential, and then load it into VMD and show gradient lines (use drawing method of &quot;fieldlines&quot;), which portrays electric field.</p><p>Best,</p><p>Tian</p>]]></description>
			<author><![CDATA[dummy@example.com (sobereva)]]></author>
			<pubDate>Fri, 01 Apr 2022 08:27:44 +0000</pubDate>
			<guid>http://sobereva.com/wfnbbs/viewtopic.php?pid=2417#p2417</guid>
		</item>
		<item>
			<title><![CDATA[Re: Electric Field  Calculations and Visualisation]]></title>
			<link>http://sobereva.com/wfnbbs/viewtopic.php?pid=2416#p2416</link>
			<description><![CDATA[<p>Dear Tian,<br />Is it possible to visualise the system and the electric field together by Multiwfn...?&#160; Just like molecular electrostatic potential I need to visualise electric field lines.<br />Best,<br />Sayan</p>]]></description>
			<author><![CDATA[dummy@example.com (sayan307)]]></author>
			<pubDate>Fri, 01 Apr 2022 05:15:00 +0000</pubDate>
			<guid>http://sobereva.com/wfnbbs/viewtopic.php?pid=2416#p2416</guid>
		</item>
		<item>
			<title><![CDATA[Re: Electric Field  Calculations and Visualisation]]></title>
			<link>http://sobereva.com/wfnbbs/viewtopic.php?pid=2415#p2415</link>
			<description><![CDATA[<p>Dear Sayan,</p><p>You can use ORCA to conduct calculation under electric field and generate .molden file used for wavefunction analysis in Multiwfn.</p><p>For example, to add external electric field vector of (0,0,-0.01) a.u., you should add the following content to input file.</p><div class="codebox"><pre><code>%scf
  efield 0.0, 0.0, -0.01 
end</code></pre></div><p>Best,</p><p>Tian</p>]]></description>
			<author><![CDATA[dummy@example.com (sobereva)]]></author>
			<pubDate>Fri, 01 Apr 2022 04:40:26 +0000</pubDate>
			<guid>http://sobereva.com/wfnbbs/viewtopic.php?pid=2415#p2415</guid>
		</item>
		<item>
			<title><![CDATA[Electric Field  Calculations and Visualisation]]></title>
			<link>http://sobereva.com/wfnbbs/viewtopic.php?pid=2414#p2414</link>
			<description><![CDATA[<p>Dear Tian,</p><p>I read in the Mutiwfn manual that it can calculate ESP and the corresponding electric field. So I am wondering if is it possible to calculate similar electric fields by ORCA calculations and visualize them via an external package like VMD ..?</p><p>Could you please give me some details..? Thanks.</p><p>Best,<br />Sayan</p>]]></description>
			<author><![CDATA[dummy@example.com (sayan307)]]></author>
			<pubDate>Thu, 31 Mar 2022 17:50:26 +0000</pubDate>
			<guid>http://sobereva.com/wfnbbs/viewtopic.php?pid=2414#p2414</guid>
		</item>
	</channel>
</rss>
