{"id":"W4254066694","doi":"10.1002/9781119139508.ch19","title":"An Interface to Quantum Espresso","year":2015,"lang":"en","type":"other","venue":"","topic":"Nuclear Materials and Properties","field":"Materials Science","cited_by":6,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Saskatchewan","funders":"Compute Canada; University of Saskatchewan","keywords":"Interface (matter); Materials science; Computational science; Silicon carbide; Code (set theory); Quantum; Nuclear engineering; Computer science; Physics; Engineering; Composite material; Programming language; Quantum mechanics","routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":["insufficient_payload"],"consensus_categories":["insufficient_payload"],"category_scores_codex":[0.0002277635,0.0001905798,0.0002680329,0.00007152548,0.00002192681,0.0002075796,0.0004483707,0.0001434464,0.094727],"category_scores_gemma":[0.00001770568,0.0001314911,0.00001692406,0.00003697705,0.00003785654,0.00006356065,0.0001399183,0.00004179249,0.02178674],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0000161618,"about_ca_system_score_gemma":0.00003493386,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0013773,"about_ca_topic_score_gemma":0.0002491548,"domain_scores_codex":[0.9990503,0.00007597348,0.0001418777,0.0003222406,0.0001883538,0.0002212324],"domain_scores_gemma":[0.9992366,0.0000035568,0.00005741336,0.0004922166,0.00003471869,0.0001754358],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"not_applicable","study_design_gemma":"not_applicable","study_design_scores_codex":[0.00002072809,0.00001317372,2.088647e-7,0.00001992792,0.00000212005,0.000001275655,0.0001192869,0.00000201645,0.3089319,0.0001913086,0.6906109,0.00008713111],"study_design_scores_gemma":[0.00006112711,0.0001580788,0.000001150415,0.00007290304,0.00000566419,0.000001625304,0.00005760469,0.000008716223,0.05545993,0.00009141804,0.9438569,0.0002248816],"study_design_candidate":"not_applicable","study_design_consensus":"not_applicable","genre_codex":"other","genre_gemma":"other","genre_scores_codex":[0.009469428,0.0003984281,0.0001227379,0.0001638288,0.002764266,0.000276131,0.000174135,0.0007980678,0.985833],"genre_scores_gemma":[0.01346432,0.0000108519,0.002218116,0.0003655256,0.0005523919,0.00001060238,0.000009541377,0.0004254926,0.9829432],"genre_candidate":"other","genre_consensus":"other","teacher_disagreement_score":0.253472,"threshold_uncertainty_score":0.9789749,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0287487362540772,"score_gpt":0.2923840722934296,"score_spread":0.2636353360393524,"validation_status":"score_only:v0-immature-baseline","note":"Baseline scores from an immature model (maturity gate not passed). Scores rank; they never assert a category."}}