{"record_type":"pith_number_record","schema_url":"https://pith.science/schemas/pith-number/v1.json","pith_number":"pith:2015:5OXBJQD7EEPXJGVMDJIIRRLGB7","short_pith_number":"pith:5OXBJQD7","schema_version":"1.0","canonical_sha256":"ebae14c07f211f749aac1a5088c5660fd4e93727c722a43d1cb728fd4bfb15ed","source":{"kind":"arxiv","id":"1510.04418","version":1},"attestation_state":"computed","paper":{"title":"Lattice dynamics and electron-phonon coupling calculations using non-diagonal supercells","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Bartomeu Monserrat, Jonathan H. Lloyd-Williams","submitted_at":"2015-10-15T07:02:21Z","abstract_excerpt":"We study the direct calculation of total energy derivatives for lattice dynamics and electron-phonon coupling calculations using supercell matrices with non-zero off-diagonal elements. We show that it is possible to determine the response of a periodic system to a perturbation characterized by a wave vector with reduced fractional coordinates $(m_1/n_1,m_2/n_2,m_3/n_3)$ using a supercell containing a number of primitive cells equal to the least common multiple of $n_1$, $n_2$, and $n_3$. If only diagonal supercell matrices are used, a supercell containing $n_1n_2n_3$ primitive cells is require"},"verification_status":{"content_addressed":true,"pith_receipt":true,"author_attested":false,"weak_author_claims":0,"strong_author_claims":0,"externally_anchored":false,"storage_verified":false,"citation_signatures":0,"replication_records":0,"graph_snapshot":true,"references_resolved":false,"formal_links_present":false},"canonical_record":{"source":{"id":"1510.04418","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2015-10-15T07:02:21Z","cross_cats_sorted":[],"title_canon_sha256":"d844e01d2c304fcee17202e233ff541937a66438f9dffaf53d8bc5a38913b625","abstract_canon_sha256":"e6e0429ea5e28759d8e9d31fbb4669e5327f9ea19d06b13187961ae0c480cc5c"},"schema_version":"1.0"},"receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-05-18T01:23:12.993632Z","signature_b64":"XivI5ODe2/l2PDaBSp9a1c0veyqp1jrvVQGxRUUnMdmEO+EVMBNSzBNcTXtQjM3+VECujeZjT5G5ARaEDn/gAg==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"ebae14c07f211f749aac1a5088c5660fd4e93727c722a43d1cb728fd4bfb15ed","last_reissued_at":"2026-05-18T01:23:12.992938Z","signature_status":"signed_v1","first_computed_at":"2026-05-18T01:23:12.992938Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"graph_snapshot":{"paper":{"title":"Lattice dynamics and electron-phonon coupling calculations using non-diagonal supercells","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Bartomeu Monserrat, Jonathan H. Lloyd-Williams","submitted_at":"2015-10-15T07:02:21Z","abstract_excerpt":"We study the direct calculation of total energy derivatives for lattice dynamics and electron-phonon coupling calculations using supercell matrices with non-zero off-diagonal elements. We show that it is possible to determine the response of a periodic system to a perturbation characterized by a wave vector with reduced fractional coordinates $(m_1/n_1,m_2/n_2,m_3/n_3)$ using a supercell containing a number of primitive cells equal to the least common multiple of $n_1$, $n_2$, and $n_3$. If only diagonal supercell matrices are used, a supercell containing $n_1n_2n_3$ primitive cells is require"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1510.04418","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":""},"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"},"aliases":[{"alias_kind":"arxiv","alias_value":"1510.04418","created_at":"2026-05-18T01:23:12.993060+00:00"},{"alias_kind":"arxiv_version","alias_value":"1510.04418v1","created_at":"2026-05-18T01:23:12.993060+00:00"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1510.04418","created_at":"2026-05-18T01:23:12.993060+00:00"},{"alias_kind":"pith_short_12","alias_value":"5OXBJQD7EEPX","created_at":"2026-05-18T12:29:05.191682+00:00"},{"alias_kind":"pith_short_16","alias_value":"5OXBJQD7EEPXJGVM","created_at":"2026-05-18T12:29:05.191682+00:00"},{"alias_kind":"pith_short_8","alias_value":"5OXBJQD7","created_at":"2026-05-18T12:29:05.191682+00:00"}],"events":[],"event_summary":{},"paper_claims":[],"inbound_citations":{"count":0,"internal_anchor_count":0,"sample":[]},"formal_canon":{"evidence_count":0,"sample":[],"anchors":[]},"links":{"html":"https://pith.science/pith/5OXBJQD7EEPXJGVMDJIIRRLGB7","json":"https://pith.science/pith/5OXBJQD7EEPXJGVMDJIIRRLGB7.json","graph_json":"https://pith.science/api/pith-number/5OXBJQD7EEPXJGVMDJIIRRLGB7/graph.json","events_json":"https://pith.science/api/pith-number/5OXBJQD7EEPXJGVMDJIIRRLGB7/events.json","paper":"https://pith.science/paper/5OXBJQD7"},"agent_actions":{"view_html":"https://pith.science/pith/5OXBJQD7EEPXJGVMDJIIRRLGB7","download_json":"https://pith.science/pith/5OXBJQD7EEPXJGVMDJIIRRLGB7.json","view_paper":"https://pith.science/paper/5OXBJQD7","resolve_alias":"https://pith.science/api/pith-number/resolve?arxiv=1510.04418&json=true","fetch_graph":"https://pith.science/api/pith-number/5OXBJQD7EEPXJGVMDJIIRRLGB7/graph.json","fetch_events":"https://pith.science/api/pith-number/5OXBJQD7EEPXJGVMDJIIRRLGB7/events.json","actions":{"anchor_timestamp":"https://pith.science/pith/5OXBJQD7EEPXJGVMDJIIRRLGB7/action/timestamp_anchor","attest_storage":"https://pith.science/pith/5OXBJQD7EEPXJGVMDJIIRRLGB7/action/storage_attestation","attest_author":"https://pith.science/pith/5OXBJQD7EEPXJGVMDJIIRRLGB7/action/author_attestation","sign_citation":"https://pith.science/pith/5OXBJQD7EEPXJGVMDJIIRRLGB7/action/citation_signature","submit_replication":"https://pith.science/pith/5OXBJQD7EEPXJGVMDJIIRRLGB7/action/replication_record"}},"created_at":"2026-05-18T01:23:12.993060+00:00","updated_at":"2026-05-18T01:23:12.993060+00:00"}