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by jb23
Tue Sep 22, 2020 9:20 pm
Forum: Bader
Topic: Geometrical center of charge
Replies: 0
Views: 7798

Geometrical center of charge

Dear all, I find very useful the information provided in the BCF.dat, such as the coordinates of each Bader maximum, however I would be very interested in knowing the geometrical center of electronic charge for each Bader (atom). This I expect to be very near from the Bader maximum however since I a...