IRVSP: to obtain irreducible representations of electronic states in the VASP, Comput. Phys. Comm. 261, 107760 (2021). https://doi.org/10.1016/j.cpc.2020.107760.
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Oct 23, 2022 - Makefile
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space-group-operations
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A code for generating irreducible site-occupancy configurations
vasp combinatorics crystal-structure supercell materials-science substitution vacancy condensed-matter-physics first-principles-calculations disordered-doping space-group-operations multicomponent-alloys
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Dec 19, 2023 - Fortran
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