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by sara-ni
Tue Jul 30, 2013 5:58 am
Forum: Bader
Topic: how to check the number of NG(X,Y,Z) is large enough?
Replies: 1
Views: 12745

how to check the number of NG(X,Y,Z) is large enough?

In "Using the Bader analysis with the VASP code" introduction. In the last sentence, it is written that "it is essential to do a few calculations, increasing NG(X,Y,Z)F until the total charge is correct." My question is what does "total charge" mean. Where can I find it...