<![CDATA[Multiwfn forum / Condensed Fukui Function as numbers not as a graph]]> - //www.umsyar.com/wfnbbs/viewtopic.php?id=391 Thu, 10 Sep 2020 18:01:21 +0000 FluxBB <![CDATA[Re: Condensed Fukui Function as numbers not as a graph]]> //www.umsyar.com/wfnbbs/viewtopic.php?pid=1355#p1355 Dear Mo Fateh,

Please carefully follow the example given in Section 4.7.3 of Multiwfn manual. Alternatively, you can use the function illustrated in Section 4.100.16 to automatically and simultaneously calculate condensed Fukui function as well as a batch of other quantities defined in conceptual density functional theory.

Best regards,

Tian

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Thu, 10 Sep 2020 18:01:21 +0000 //www.umsyar.com/wfnbbs/viewtopic.php?pid=1355#p1355
<![CDATA[Condensed Fukui Function as numbers not as a graph]]> //www.umsyar.com/wfnbbs/viewtopic.php?pid=1354#p1354 Dear All,

I would like to calculated the condensed Fukui functions as numbers, but according the manual of Multiwfn I did them as topological graph.

Can anyone help me to produce them as numbers?

Regards,
Mo Fateh

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Thu, 10 Sep 2020 15:37:47 +0000 //www.umsyar.com/wfnbbs/viewtopic.php?pid=1354#p1354