{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2019:NGOX2ANLGBKZRUQMS25LKXQ5RF","short_pith_number":"pith:NGOX2ANL","canonical_record":{"source":{"id":"1907.06021","kind":"arxiv","version":2},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2019-07-13T07:22:22Z","cross_cats_sorted":["cond-mat.str-el"],"title_canon_sha256":"3b71ec236a202c61722c0d0529ebe5027fb15468bb1ad3c922233c137d13a98e","abstract_canon_sha256":"d8811ebd02cbc43f43cd94a7801b3c623c9d4aae224fef903aea3a5305d784e4"},"schema_version":"1.0"},"canonical_sha256":"699d7d01ab305598d20c96bab55e1d89509f28aa55a8724c39ca8fe818e654dd","source":{"kind":"arxiv","id":"1907.06021","version":2},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1907.06021","created_at":"2026-07-05T00:34:41Z"},{"alias_kind":"arxiv_version","alias_value":"1907.06021v2","created_at":"2026-07-05T00:34:41Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1907.06021","created_at":"2026-07-05T00:34:41Z"},{"alias_kind":"pith_short_12","alias_value":"NGOX2ANLGBKZ","created_at":"2026-07-05T00:34:41Z"},{"alias_kind":"pith_short_16","alias_value":"NGOX2ANLGBKZRUQM","created_at":"2026-07-05T00:34:41Z"},{"alias_kind":"pith_short_8","alias_value":"NGOX2ANL","created_at":"2026-07-05T00:34:41Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2019:NGOX2ANLGBKZRUQMS25LKXQ5RF","target":"record","payload":{"canonical_record":{"source":{"id":"1907.06021","kind":"arxiv","version":2},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2019-07-13T07:22:22Z","cross_cats_sorted":["cond-mat.str-el"],"title_canon_sha256":"3b71ec236a202c61722c0d0529ebe5027fb15468bb1ad3c922233c137d13a98e","abstract_canon_sha256":"d8811ebd02cbc43f43cd94a7801b3c623c9d4aae224fef903aea3a5305d784e4"},"schema_version":"1.0"},"canonical_sha256":"699d7d01ab305598d20c96bab55e1d89509f28aa55a8724c39ca8fe818e654dd","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-07-05T00:34:41.756821Z","signature_b64":"KKwDWFJcLCew1CKyGoCu9v9bDMn/Y/2jlha0LEY35+HoQuZQx6XD7WPS9zL1C15IBZ6lo/g3r0Op0GM02O0DBQ==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"699d7d01ab305598d20c96bab55e1d89509f28aa55a8724c39ca8fe818e654dd","last_reissued_at":"2026-07-05T00:34:41.756430Z","signature_status":"signed_v1","first_computed_at":"2026-07-05T00:34:41.756430Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"1907.06021","source_version":2,"attestation_state":"computed"},"signer":{"signer_id":"pith.science","signer_type":"pith_registry","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"created_at":"2026-07-05T00:34:41Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"+a+cESYa9CV4Rd38uHmXihpGZRlzmgAwRP7TpR7x0Ifr+XcQN4NzYwAj+Iq7UnqMLNJuDzbMzDEjj9iVpbXlAQ==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-16T23:55:47.438080Z"},"content_sha256":"a72503c77df9d05d3c4cd046d348164af60da5d91b8217126244e611f91c84a6","schema_version":"1.0","event_id":"sha256:a72503c77df9d05d3c4cd046d348164af60da5d91b8217126244e611f91c84a6"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2019:NGOX2ANLGBKZRUQMS25LKXQ5RF","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Questaal: a package of electronic structure methods based on the linear muffin-tin orbital technique","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["cond-mat.str-el"],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Athanasios Chantis, Dimitar Pashov, Francois Jamet, Jerome Jackson, Kirill D. Belashchenko, Mark van Schilfgaarde, Swagata Acharya, Walter R. L. Lambrecht","submitted_at":"2019-07-13T07:22:22Z","abstract_excerpt":"This paper summarises the theory and functionality behind Questaal, an open-source suite of codes for calculating the electronic structure and related properties of materials from first principles. The formalism of the linearised muffin-tin orbital (LMTO) method is revisited in detail and developed further by the introduction of short-ranged tight-binding basis functions for full-potential calculations. The LMTO method is presented in both Green's function and wave function formulations for bulk and layered systems. The suite's full-potential LMTO code uses a sophisticated basis and augmentati"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1907.06021","kind":"arxiv","version":2},"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/1907.06021/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"},"verdict_id":null},"signer":{"signer_id":"pith.science","signer_type":"pith_registry","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"created_at":"2026-07-05T00:34:41Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"SE4hsEzKL2qGXxrs1wbDd8ZNjwiFfDG/xB3z5NUt4Y6xs1poDbEmDwwWahXg7Ds/xfnxWvQurRlQCauDM+YkCg==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-16T23:55:47.438992Z"},"content_sha256":"4729b22d230546adb96257d139948e7dc853d286b0fb6a7af28d33ce954f675b","schema_version":"1.0","event_id":"sha256:4729b22d230546adb96257d139948e7dc853d286b0fb6a7af28d33ce954f675b"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/NGOX2ANLGBKZRUQMS25LKXQ5RF/bundle.json","state_url":"https://pith.science/pith/NGOX2ANLGBKZRUQMS25LKXQ5RF/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/NGOX2ANLGBKZRUQMS25LKXQ5RF/bundle.json","status":"primary"}],"public_keys":[{"key_id":"pith-v1-2026-05","algorithm":"ed25519","format":"raw","public_key_b64":"stVStoiQhXFxp4s2pdzPNoqVNBMojDU/fJ2db5S3CbM=","public_key_hex":"b2d552b68890857171a78b36a5dccf368a953413288c353f7c9d9d6f94b709b3","fingerprint_sha256_b32_first128bits":"RVFV5Z2OI2J3ZUO7ERDEBCYNKS","fingerprint_sha256_hex":"8d4b5ee74e4693bcd1df2446408b0d54","rotates_at":null,"url":"https://pith.science/pith-signing-key.json","notes":"Pith uses this Ed25519 key to sign canonical record SHA-256 digests. Verify with: ed25519_verify(public_key, message=canonical_sha256_bytes, signature=base64decode(signature_b64))."}],"merge_version":"pith-open-graph-merge-v1","built_at":"2026-08-16T23:55:47Z","links":{"resolver":"https://pith.science/pith/NGOX2ANLGBKZRUQMS25LKXQ5RF","bundle":"https://pith.science/pith/NGOX2ANLGBKZRUQMS25LKXQ5RF/bundle.json","state":"https://pith.science/pith/NGOX2ANLGBKZRUQMS25LKXQ5RF/state.json","well_known_bundle":"https://pith.science/.well-known/pith/NGOX2ANLGBKZRUQMS25LKXQ5RF/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2019:NGOX2ANLGBKZRUQMS25LKXQ5RF","merge_version":"pith-open-graph-merge-v1","event_count":2,"valid_event_count":2,"invalid_event_count":0,"equivocation_count":0,"current":{"canonical_record":{"metadata":{"abstract_canon_sha256":"d8811ebd02cbc43f43cd94a7801b3c623c9d4aae224fef903aea3a5305d784e4","cross_cats_sorted":["cond-mat.str-el"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2019-07-13T07:22:22Z","title_canon_sha256":"3b71ec236a202c61722c0d0529ebe5027fb15468bb1ad3c922233c137d13a98e"},"schema_version":"1.0","source":{"id":"1907.06021","kind":"arxiv","version":2}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1907.06021","created_at":"2026-07-05T00:34:41Z"},{"alias_kind":"arxiv_version","alias_value":"1907.06021v2","created_at":"2026-07-05T00:34:41Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1907.06021","created_at":"2026-07-05T00:34:41Z"},{"alias_kind":"pith_short_12","alias_value":"NGOX2ANLGBKZ","created_at":"2026-07-05T00:34:41Z"},{"alias_kind":"pith_short_16","alias_value":"NGOX2ANLGBKZRUQM","created_at":"2026-07-05T00:34:41Z"},{"alias_kind":"pith_short_8","alias_value":"NGOX2ANL","created_at":"2026-07-05T00:34:41Z"}],"graph_snapshots":[{"event_id":"sha256:4729b22d230546adb96257d139948e7dc853d286b0fb6a7af28d33ce954f675b","target":"graph","created_at":"2026-07-05T00:34:41Z","signer":{"key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signer_id":"pith.science","signer_type":"pith_registry"},"payload":{"graph_snapshot":{"author_claims":{"count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57","strong_count":0},"builder_version":"pith-number-builder-2026-05-17-v1","claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"formal_canon":{"evidence_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"integrity":{"available":true,"clean":true,"detectors_run":[],"endpoint":"/pith/1907.06021/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"This paper summarises the theory and functionality behind Questaal, an open-source suite of codes for calculating the electronic structure and related properties of materials from first principles. The formalism of the linearised muffin-tin orbital (LMTO) method is revisited in detail and developed further by the introduction of short-ranged tight-binding basis functions for full-potential calculations. The LMTO method is presented in both Green's function and wave function formulations for bulk and layered systems. The suite's full-potential LMTO code uses a sophisticated basis and augmentati","authors_text":"Athanasios Chantis, Dimitar Pashov, Francois Jamet, Jerome Jackson, Kirill D. Belashchenko, Mark van Schilfgaarde, Swagata Acharya, Walter R. L. Lambrecht","cross_cats":["cond-mat.str-el"],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2019-07-13T07:22:22Z","title":"Questaal: a package of electronic structure methods based on the linear muffin-tin orbital technique"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1907.06021","kind":"arxiv","version":2},"verdict":{"created_at":null,"id":null,"model_set":{},"one_line_summary":"","pipeline_version":null,"pith_extraction_headline":"","strongest_claim":"","weakest_assumption":""}},"verdict_id":null}}],"author_attestations":[],"timestamp_anchors":[],"storage_attestations":[],"citation_signatures":[],"replication_records":[],"corrections":[],"mirror_hints":[],"record_created":{"event_id":"sha256:a72503c77df9d05d3c4cd046d348164af60da5d91b8217126244e611f91c84a6","target":"record","created_at":"2026-07-05T00:34:41Z","signer":{"key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signer_id":"pith.science","signer_type":"pith_registry"},"payload":{"attestation_state":"computed","canonical_record":{"metadata":{"abstract_canon_sha256":"d8811ebd02cbc43f43cd94a7801b3c623c9d4aae224fef903aea3a5305d784e4","cross_cats_sorted":["cond-mat.str-el"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2019-07-13T07:22:22Z","title_canon_sha256":"3b71ec236a202c61722c0d0529ebe5027fb15468bb1ad3c922233c137d13a98e"},"schema_version":"1.0","source":{"id":"1907.06021","kind":"arxiv","version":2}},"canonical_sha256":"699d7d01ab305598d20c96bab55e1d89509f28aa55a8724c39ca8fe818e654dd","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"699d7d01ab305598d20c96bab55e1d89509f28aa55a8724c39ca8fe818e654dd","first_computed_at":"2026-07-05T00:34:41.756430Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-07-05T00:34:41.756430Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"KKwDWFJcLCew1CKyGoCu9v9bDMn/Y/2jlha0LEY35+HoQuZQx6XD7WPS9zL1C15IBZ6lo/g3r0Op0GM02O0DBQ==","signature_status":"signed_v1","signed_at":"2026-07-05T00:34:41.756821Z","signed_message":"canonical_sha256_bytes"},"source_id":"1907.06021","source_kind":"arxiv","source_version":2}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:a72503c77df9d05d3c4cd046d348164af60da5d91b8217126244e611f91c84a6","sha256:4729b22d230546adb96257d139948e7dc853d286b0fb6a7af28d33ce954f675b"],"state_sha256":"fd93424c531e7132a42281cce326e5f7b937311e195edfad5939c767c708e774"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"Qmw625w4fO+rKgyI4KTOMM9Oly9qjN43WfizdicEsuLuEMmO5afWFXX1D4i3+RIkcUn+Hwiy0lM46UKl4zBVDw==","signed_message":"bundle_sha256_bytes","signed_at":"2026-08-16T23:55:47.503470Z","bundle_sha256":"d8c821918b615e405a61c2f00a2c1b4a3a6a45b5b7b1939df32935dcace517b9"}}