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note
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The surface is modeled by a periodic slab geometry. Each slab contains six Si atomic layers (not including the Si surface chain) plus an In overlayer, and the bottom Si layer is passivated by one H atom per Si atom. The thickness of the vacuum region between these slabs is about 10 Å. The electronic wave functions are expanded in a plane-wave basis set with a cutoff energy of 15 Ry.
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