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note
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For the Au(110)-(1 × 1) surface, the following k-point densities have been chosen respectively for the (1 × 1), (2 × 1), (1 × 2), c(2 × 2), (2 × 2), (3 × 2), and (4 × 2) structures: 11 × 13 × 1, 7 × 13 × 1, 11 × 11 × 1, 9 × 9 × 1, 5 × 9 × 1, 5 × 5 × 1, and 5 × 3 × 1. For the Au(110)-(1 × 2) surface, the k-point meshes are respectively for the (1 ×1), (2 × 1), (3 × 1), and (4 × 1) structures the following: 7 × 13 × 1, 5 × 9 × 1, 5 × 5 × 1, and 5 × 3 × 1. For the Au(230) surface, a tight convergence is reached with the following k-point densities for the (1 × 1), (2 × 1), and (3×1) structures, respectively: 8×5×1,5×5×1, and 4×4×1.
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