<![CDATA[Multiwfn forum / Constructing Cluster Models with Multiwfn]]> //www.umsyar.com/wfnbbs/viewtopic.php?id=1575 The most recent posts in Constructing Cluster Models with Multiwfn. Mon, 30 Dec 2024 16:21:13 +0000 FluxBB <![CDATA[Re: Constructing Cluster Models with Multiwfn]]> //www.umsyar.com/wfnbbs/viewtopic.php?pid=4783#p4783

Please make sure that the atom names in your input file correspond to element names.

dummy@example.com (sobereva) Mon, 30 Dec 2024 16:21:13 +0000 //www.umsyar.com/wfnbbs/viewtopic.php?pid=4783#p4783
<![CDATA[Constructing Cluster Models with Multiwfn]]> //www.umsyar.com/wfnbbs/viewtopic.php?pid=4780#p4780

When using Multiwfn to construct a cluster model, Multiwfn does not recognise the type of atom correctly, for example, when I have an N atom, it recognises it as a C atom, how can this be resolved?
20241230100906.png
In the picture, the ones circled in red are supposed to be N atoms, but they are recognised as C atoms, how can this be solved?

dummy@example.com (gao@gao@gao@gao) Mon, 30 Dec 2024 02:10:14 +0000 //www.umsyar.com/wfnbbs/viewtopic.php?pid=4780#p4780
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