{"id":"W7146183353","doi":"","title":"Ab initio calculations of phonons in LiNbO3","year":2000,"lang":"en","type":"article","venue":"Institutional Repositories DataBase (IRDB)","topic":"Photorefractive and Nonlinear Optics","field":"Physics and Astronomy","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Division of Materials Research; Nuclear Physics; Natural Sciences and Engineering Research Council of Canada","keywords":"Phonon; Soft modes; Ferroelectricity; Ab initio; Dielectric; Ab initio quantum chemistry methods; Niobium; Ion; Phase (matter)","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00008515165,0.0001266276,0.0001658182,0.00007413282,0.0001667096,0.00002590134,0.0001243382,0.00003752646,0.0006911377],"category_scores_gemma":[0.00001749204,0.0001276883,0.00007106814,0.0002753503,0.0001821862,0.0004869458,0.00003985415,0.0001837457,0.00006166257],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0000546889,"about_ca_system_score_gemma":0.00034989,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001810315,"about_ca_topic_score_gemma":0.00006062458,"domain_scores_codex":[0.9990318,0.00002949952,0.0003456282,0.0002060033,0.000218773,0.0001682525],"domain_scores_gemma":[0.9993832,0.00009414263,0.00007847673,0.0002830676,0.00009156492,0.00006953996],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"not_applicable","study_design_scores_codex":[0.0006379651,0.004164545,0.3007457,0.0001078466,0.0004814647,0.0002150567,0.001209842,0.004628509,0.05435738,0.6202698,0.00447891,0.008703008],"study_design_scores_gemma":[0.00373535,0.0001654357,0.07020321,0.0006377974,0.0001643829,0.00005478511,0.0004561716,0.004170245,0.2641376,0.006285288,0.6487751,0.001214655],"study_design_candidate":"not_applicable","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9441977,0.00005605966,0.001310808,0.0000858911,0.0003511503,0.0001472662,0.001790211,0.00001950317,0.05204145],"genre_scores_gemma":[0.9953491,0.00001924417,0.002274454,0.0000271488,0.0006200226,0.00002792372,0.001286217,0.000008756163,0.0003871068],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.6442962,"threshold_uncertainty_score":0.7567473,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01293092131533444,"score_gpt":0.2723440217633395,"score_spread":0.2594131004480051,"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."}}