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These k grids are for the AB and AC stacking orders, which will be explained in the following paragraph. For the AA stacking order, optimization and DOS were done with 8×8×8 and 16×16×16 Monkhorst-Pack k grids, respectively.
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These k grids are for the AB and AC stacking orders, which will be explained in the following paragraph. For the AA stacking order, optimization and DOS were done with 8 × 8 × 8 and 16 × 16 × 16 Monkhorst-Pack k grids, respectively.
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′ stacking is energetically unfavorable and is not considered here.
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