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#1 Multiwfn and wavefunction analysis » Plotting colored electron density surface » 2019-05-13 10:40:39

bulat
Replies: 1

Hello,

I wanted to plot an electron density surface of my molecule based on the calculation results I get from Gaussian in the form of Test.FChk file.
If I understand correctly, the way to do it is load the file and consequently choose menu options 5 (Output and plot specific property within a spatial region (calc. grid data)), 1 (Electron density). Then select the quality and finally get the surface.

I wonder though if it is possible make the electron density surface colored with accordance to the electrostatic potential?

It is possible to get it done in Avogadro (see an example attached below). But the way Avogadro does it is not straightforward (for me) and it fails with some of my results. Perhaps Multiwfn could be more powerful?
Untitled.jpg

Best regards,
Bulat

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