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- 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: 14222
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? Does it mean the "NUMBER OF ...