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jichunlian
disorder jichunlian
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mit
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A code for generating irreducible site-occupancy configurations
vasp vacancy supercell substitution combinatorics crystal-structure disordered-doping materials-science multicomponent-alloys space-group-operations condensed-matter-physics first-principles-calculations
Created 2020-08-29
174 commits to main branch, last one 11 months ago