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		<title><![CDATA[Multiwfn forum / Probable bug in the Windows version to visualize NOCV pairs]]></title>
		<link>http://sobereva.com/wfnbbs/viewtopic.php?id=639</link>
		<description><![CDATA[The most recent posts in Probable bug in the Windows version to visualize NOCV pairs.]]></description>
		<lastBuildDate>Thu, 03 Mar 2022 07:17:54 +0000</lastBuildDate>
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			<title><![CDATA[Re: Probable bug in the Windows version to visualize NOCV pairs]]></title>
			<link>http://sobereva.com/wfnbbs/viewtopic.php?pid=2340#p2340</link>
			<description><![CDATA[<p>The ETS-NOCV function in the version released many days ago was found to be broken. Please update to latest version. I have already fixed this problem the day before yesterday.</p>]]></description>
			<author><![CDATA[dummy@example.com (sobereva)]]></author>
			<pubDate>Thu, 03 Mar 2022 07:17:54 +0000</pubDate>
			<guid>http://sobereva.com/wfnbbs/viewtopic.php?pid=2340#p2340</guid>
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			<title><![CDATA[Probable bug in the Windows version to visualize NOCV pairs]]></title>
			<link>http://sobereva.com/wfnbbs/viewtopic.php?pid=2337#p2337</link>
			<description><![CDATA[<p>Hi,</p><p>I was very happy when I saws recently that Multiwfn was extended with ETS-NOCV, many thanks Tian.</p><p>I have a Windows version of Multiwfn 3.8 downloaded on 27.02.2022. I tried to reproduce the ETS-NOCV example of (CO)5Cr=CH2 according to the manual (4.23.5) using the given example xxx.fch files. The Table with the NOCV pair energies etc. could be successfully reproduced. Following the instructions of the manual I selected High quality grid, then &quot;2 Show isosurface of NOCV pair density&quot;, &quot;Input the index of the NOCV pair of interest&quot;: 1. In a separate run I tried pair 2. Instead of the nice NOCV pair orbitals of charge transfer shown in the manual, I obtained core s orbitals of the oxygens, as they were visible only after I decreased the atomic size. I attach the two Figures.<br />I hope I did not misunderstood the instructions in the manual and would be grateful for checking the issue.</p><br /><p><a href="https://postimg.cc/TyQNbbCg" rel="nofollow"><span class="postimg"><img src="https://i.postimg.cc/TyQNbbCg/NOCV-pair-1-iso0-01-atomsize0-5.jpg" alt="NOCV-pair-1-iso0-01-atomsize0-5.jpg" /></span></a></p><p><a href="https://postimg.cc/vgNPqsRm" rel="nofollow"><span class="postimg"><img src="https://i.postimg.cc/vgNPqsRm/NOCV-pair-2-iso0-01-atomsize0-5.jpg" alt="NOCV-pair-2-iso0-01-atomsize0-5.jpg" /></span></a></p>]]></description>
			<author><![CDATA[dummy@example.com (kovacat)]]></author>
			<pubDate>Wed, 02 Mar 2022 18:55:06 +0000</pubDate>
			<guid>http://sobereva.com/wfnbbs/viewtopic.php?pid=2337#p2337</guid>
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