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General Questions and Answers / No charge value when run the Mulliken population
« on: March 13, 2018, 09:34 »
Why there is no charge value when I run the Mulliken population at any positions of gas molecule towards the phosphorene layer?
Position of gas molecule: on top of the phosphorene layer (1. above the bond ; 2. above the atom)
Position of gas molecule: on top of the phosphorene layer (1. above the bond ; 2. above the atom)