{"doi":"10.1103/physrevb.49.16223","title":"Improved tetrahedron method for Brillouin-zone integrations","abstract":"Several improvements of the tetrahedron method for Brillouin-zone integrations are presented. (1) A translational grid of k points and tetrahedra is suggested that renders the results for insulators identical to those obtained with special-point methods with the same number of k points. (2) A simple correction formula goes beyond the linear approximation of matrix elements within the tetrahedra and also improves the results for metals significantly. For a required accuracy this reduces the number of k points by orders of magnitude. (3) Irreducible k points and tetrahedra are selected by a fully automated procedure, requiring as input only the space-group operations. (4) The integration is formulated as a weighted sum over irreducible k points with integration weights calculated using the tetrahedron method once for a given band structure. This allows an efficient use of the tetrahedron method also in plane-wave-based electronic-structure methods.","journal":"Physical Review B","year":1994,"id":2377,"datarank":22.47298069235462,"base_score":8.87626525995469,"endowment":8.87626525995469,"self_citation_contribution":1.3314397889932037,"citation_network_contribution":21.141540903361417,"self_endowment_contribution":1.3314397889932037,"citer_contribution":21.141540903361417,"corpus_percentile":95.1,"corpus_rank":1490,"citation_count":7159,"citer_count":199,"citers_with_citation_signal":199,"citers_with_endowment":199,"datacite_reuse_total":0,"is_dataset":false,"is_oa":false,"file_count":0,"downloads":0,"has_version_chain":false,"published_date":"1994-06-15","authors":[{"id":29226,"name":"O. Jepsen","orcid":null,"position":1,"is_corresponding":false},{"id":29227,"name":"O. K. Andersen","orcid":"0000-0003-0062-4166","position":2,"is_corresponding":false},{"id":29225,"name":"Peter E. Blöchl","orcid":"0000-0002-1416-5207","position":0,"is_corresponding":true}],"reference_count":23,"raw_metadata":{"citation_network_status":"fetched"},"created_at":"2026-03-01T18:20:47.508186Z","pmid":null,"pmcid":null,"fwci":null,"citation_percentile":null,"influential_citations":0,"oa_status":null,"license":null,"views":0,"total_file_size_bytes":0,"version_count":0,"clinical_trials":[],"software_tools":[],"db_accessions":[],"linked_datasets":[],"topics":[]}