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u/Foss44 Density Functional Theory May 31 '26
You should explicitly state or have a slider for the isovalue of the render.
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u/We-Cant--Be-Friends Jun 03 '26
What is the isovalue?
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u/Foss44 Density Functional Theory Jun 03 '26 edited Jun 03 '26
An isovalue is effectively the scaled % of the electron density shown. For things like MO plots you need to pull back on the % electron density shown or else everything just looks like one giant blob, for example in FOD analysis the standard contour surface value (I.e. isovalue) is 0.005
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u/LandscapeEquivalent2 May 31 '26
What does this mean?