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by Yuan Li
Wed May 11, 2022 12:18 am
Forum: Bader
Topic: Print out the results of QTAIM
Replies: 1
Views: 6738

Print out the results of QTAIM

Hi everyone, I was wondering is it possible to perform quantum theory of atoms in molecules (QTAIM) analysis based on CHGCAR with Bader code? And how to print out these information, for example, bond critical-point topological electron density, Laplacian, electronic energy density, etc,? Thanks in a...