Author Topic: ±isovalue option meaning in visualizing molecular orbitals  (Read 62 times)

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Offline hadi9827

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Dear all,

When I visualize molecular orbitals (for example HOMO or LUMO), when I tick the ±isovalue option, the orbitals will be shown with two colors red and blue. What do these colors mean? what is the difference between blue and red regions?

Thanks

Offline Anders Blom

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Re: ±isovalue option meaning in visualizing molecular orbitals
« Reply #1 on: February 23, 2021, 19:08 »
For isosurfaces, the Red/Blue indicate the sign, whereas the surface itself show the same absolute isovalue.

Offline hadi9827

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Re: ±isovalue option meaning in visualizing molecular orbitals
« Reply #2 on: February 25, 2021, 14:28 »
Thanks :)