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{
  "description": "Default auxiliary (fitting) basis sets per orbital basis. 'jk' is the Coulomb(+exchange) fitting basis used for SCF density fitting; 'corr' is the correlation (RI/C) fitting basis used for RI-MP2 / DF-CCSD. Names are matched case-insensitively against the orbital basis name. Entries may omit a key, in which case the corresponding default below is used. Unknown orbital bases fall back to the defaults.",
  "scf_jk_default": "def2-universal-jkfit",
  "corr_default": "def2-tzvp-rifit",
  "policy": {
    "description": "Thresholds for the automatic (--ri auto) acceleration policy.",
    "cosx_nbf_crossover": 600
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  "map": {
    "cc-pvdz":    { "corr": "cc-pvdz-rifit" },
    "cc-pvtz":    { "jk": "cc-pvtz-jkfit", "corr": "cc-pvtz-rifit" },
    "cc-pvqz":    { "jk": "cc-pvqz-jkfit", "corr": "cc-pvqz-rifit" },
    "cc-pv5z":    { "jk": "cc-pv5z-jkfit", "corr": "cc-pvqz-rifit" },
    "def2-sv(p)": { "corr": "def2-svp-rifit" },
    "def2-svp":   { "corr": "def2-svp-rifit" },
    "def2-svpd":  { "corr": "def2-svp-rifit" },
    "def2-tzvp":  { "corr": "def2-tzvp-rifit" },
    "def2-tzvpd": { "corr": "def2-tzvp-rifit" },
    "def2-tzvpp": { "corr": "def2-tzvpp-rifit" },
    "def2-tzvppd":{ "corr": "def2-tzvpp-rifit" },
    "def2-mtzvpp":{ "corr": "def2-tzvpp-rifit" },
    "def2-qzvp":  { "corr": "def2-tzvpp-rifit" },
    "def2-qzvpp": { "corr": "def2-tzvpp-rifit" }
  }
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{"comment":"DFT-D3 (Becke-Johnson rational damping) parameters extracted from s-dftd3's assets/parameters.toml. Only the `bj` variant is included; `zero`, `bjm`, `zerom`, `op` modifications are dropped for 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reference data extracted from xtb's dftd3_parameters.f90 (Grimme et al., JCP 132, 154104, 2010 + rational Becke-Johnson damping JCP 2011). Pairs are indexed as ipair = j(j-1)/2 + i for atomic numbers i ≤ 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(BJ + ATM, 2019 parameterization) damping parameters extracted from cpp-d4. Keyed by functional alias; values are {s6, s8, s10, s9, a1, a2, 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reference data extracted from xtb. Compatible with the GFN2-xTB Hamiltonian: refq/refh tables are the GFN2-xTB-derived charges, not 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