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The proper partition is especially important for studying moderate-size systems with low symmetry, such as two-dimensional materials on substrates, and useful for the implementation of phonon calculations in first-principles packages using atomic basis functions, where symmetry operations are usually not applied owing to the suitability for large-scale calculations.The capability of hexagonal boron nitride (h-BN) to adsorb gas atoms may stimulate various promising applications in environment remediation and energy storage, while the int
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