Evaluating Electron Density at Arbitrary Points

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Rafael Soares

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May 19, 2025, 4:15:41 PMMay 19
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Hello,

I’m looking to evaluate the electron density at several specific points in space. I noticed that the dplot command can provide this information on a regular grid, and from reviewing the source code, it seems the Create_Contour subroutine might be related to what I need.

Before diving deeper, do you think this approach is feasible? Or is there a simpler way to obtain the electron density at arbitrary points?

Thank you in advance for your help.

Rafael.

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