A fast and robust algorithm for Bader decomposition of charge density
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Cites background or methods from "A fast and robust algorithm for Bad..."
...A strength of the on-grid method is that there is a fixed computational effort per charge density grid point, and therefore the total computational time scales linearly with the number of grid points [18]....
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...The Bader analysis algorithm presented here removes the lattice bias of a constrained grid-based algorithm [18] allowing convergence in the limit of a fine charge density grid....
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...The algorithm described in this work is an improvement upon such a grid-based method [18]....
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...Additional details are provided in [18]....
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...This method for finding Bader volumes without lattice bias is an improvement to an earlier grid-based method [18]....
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