{"paper":{"title":"akaitools: A Python package for parsing and analyzing AkaiKKR electronic structure calculations","license":"http://creativecommons.org/licenses/by/4.0/","headline":"","cross_cats":["physics.comp-ph"],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Do\\u{g}uhan Sar{\\i}t\\\"urk, Raymundo Arr\\'oyave","submitted_at":"2026-06-16T18:47:14Z","abstract_excerpt":"The Korringa-Kohn-Rostoker (KKR) Green's function method is a first-principles electronic structure approach well suited to substitutionally disordered alloys through the Coherent Potential Approximation (CPA). AkaiKKR is a widely used implementation, known for efficient treatment of metallic systems and their magnetic properties. Its output, however, is unstructured plain text with no programmatic interface, leaving data extraction entirely to the user and making systematic or high-throughput studies impractical. akaitools is a Python package that parses AkaiKKR output files into structured, "},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2606.18399","kind":"arxiv","version":1},"verdict":{"id":null,"model_set":{},"created_at":null,"strongest_claim":"","one_line_summary":"","pipeline_version":null,"weakest_assumption":"","pith_extraction_headline":""},"integrity":{"clean":true,"summary":{"advisory":0,"critical":0,"by_detector":{},"informational":0},"endpoint":"/pith/2606.18399/integrity.json","findings":[],"available":true,"detectors_run":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938"},"references":{"count":0,"sample":[],"resolved_work":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57","internal_anchors":0},"formal_canon":{"evidence_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"author_claims":{"count":0,"strong_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"builder_version":"pith-number-builder-2026-05-17-v1"}