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#1 2026-02-01 04:08:37
- Jdasu
- Member
- Registered: 2026-02-01
- Posts: 2
laplacian of electron density overlaid with 2d map of ELF having CP
Hi,
I was practicing of plotting the Laplacian of electron density overlaid with 2d map of ELF having CP and bond paths of a compound I found online, as it is similar to what I am working. In the plot I want just the H2Co-Si-CoH2 fragment. I am not able to get this in one plot. Can someone please help me?
Last edited by Jdasu (2026-02-01 04:09:34)
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#3 Yesterday 04:46:10
- Jdasu
- Member
- Registered: 2026-02-01
- Posts: 2
Re: laplacian of electron density overlaid with 2d map of ELF having CP
When I put three atoms Co-Si-Co, it says the atoms should not be in a line. After that, when I put H, Co, and Si, it does not generate the full fragment, i.e., H2CoSiCoH2; instead, it generates just one H, Co, and Si. What modifications should I make to generate the plot of the whole fragment?
Please let me know if I need to provide other details. Actually, I just started to use this software, so I am still exploring. Any help would be highly appreciated.
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#4 Yesterday 15:32:12
Re: laplacian of electron density overlaid with 2d map of ELF having CP
In the main function 4 of Multiwfn, there are many ways to define plotting plane, please carefully check Section 3.5.2 of Multiwfn manual. Perhaps you need to manually input coordinates of three vertices to propely define the expected plotting plane.
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