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#1 Re: Multiwfn and wavefunction analysis » EDA with Multiwfn » 2024-12-28 15:33:20

I would like to perform EDA analysis for a system involving Be and He atoms. However, I encountered to the following caution:
"The index of the atom to be loaded exceeded actual number of atoms in the whole system."
Would you please guide me how should I solve it?

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