{"paper":{"title":"ARES-Phonon: Phonon Calculation Package using Nondiagonal Supercell Finite Displacement Method with Machine Learning","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["cond-mat.other"],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Jiaxiang Li, Qian Wang, Yu Xie","submitted_at":"2025-03-14T02:17:55Z","abstract_excerpt":"We have developed a phonon calculation software based on the supercell finite displacement method: ARES-Phonon. It can perform phonon and related property calculations using either non-diagonal or diagonal supercell approaches. Particularly for the non-diagonal supercell method, for phonons with wave vectors $(\\frac{n_1}{m_1},\\frac{n_2}{m_2},\\frac{n_3}{m_3})$, only a non-diagonal supercell of size equal to the least common multiple of $m_1 m_2 m_3$ needs to be constructed, significantly reducing the computational burden. We have tested this method on Diamond, $MoS_2$, and $Si_3O_6$ systems, an"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2503.11013","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/2503.11013/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"}