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 ...
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- Tue Sep 22, 2020 9:20 pm
- Forum: Bader
- Topic: Geometrical center of charge
- Replies: 0
- Views: 125599