An improved symmetry-based approach to reciprocal space path selection in band structure calculations
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DOI: 10.1038/s41524-020-00383-7
Abstract: Band structures for electrons, phonons, and other quasiparticles are often an important aspect of describing the physical properties of periodic solids. Most commonly, energy bands are computed along a one-dimensional path of high-symmetry points and… read more here.
Keywords: band; reciprocal space; symmetry; path ... See more keywords