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by somil
Tue Apr 17, 2018 7:14 pm
Forum: Bader
Topic: Comparing Bader charge difference with z-averaged charge difference
Replies: 0
Views: 19332

Comparing Bader charge difference with z-averaged charge difference

Hi, I am currently studying clustered metal-semiconductor interfaces. I am assessing the charge transferred to the metal in such a case. One of the ways to find charge transfer occuring at the interface is to use the total cell charge averaged in the x- and y-directions, as a function of the directi...