{
  "case": "completed fcc Al lesson, QE7.5",
  "q_irreducible": 8,
  "q_star_sum": 64.0,
  "nmodes": 3,
  "electronic_widths_Ry": [
    0.005,
    0.01,
    0.015,
    0.02,
    0.025,
    0.03,
    0.035,
    0.04,
    0.045,
    0.05
  ],
  "frequency_min_direct_THz": 0.08785060499177633,
  "frequency_max_direct_THz": 9.936574,
  "frequency_max_reconstructed_from_printed_w2_THz": 9.936533230102638,
  "frequency_upper_limit_THz": 14.0,
  "gaussian_parameter_THz": 0.12,
  "direct_negative_squared_frequencies": [],
  "dense_a2Fsave_sha256": "2e2e5db92227e752d80ca7b1a0b86ee410c665b218d4ea534162ba4e92fdb3f8",
  "low_frequency_mode_lambda_cutoff_cm1": 20,
  "cutoff_source": "QE7.5 PHonon/PH/elphon.f90 epsw and elphsum; raw gamma still exists",
  "constants": {
    "lambda_x_Ry_to_THz": 3289.828,
    "lambda_x_THz_to_K": 47.9924,
    "SI_THz_to_K": 47.992430733662204,
    "SI_Ry_to_K": 157887.51240203338,
    "SI_Ry_to_THz": 3289.8419602508284
  },
  "source_sha256": {
    "lambda.in": "10eceb5b268b431e9f70ac2b8ad7419ae38d2d97842da4bb3d0f3f6ba2f2b0b5",
    "lambda.dat": "62e69541e4884acb114af275341ccdaa5b2cfe8c0ccbfe3bb9af5d5a4b51cadd",
    "lambda.out": "599598bd86cd7800670e2f78addb71eae72ff91ca3e3f1b0b8e160c4e90e962b",
    "alpha2F.dat": "02cfe80e9d905af7687aa1c92fbf6a7a8051576ef9a3fbce85cc797c21c430ba",
    "al.elph.out": "524313e5910e38a5a5fb6ebd010f2f3da140142c230bd0d2b1e41f4f78bb978b",
    "q2r.out": "19619ad4c94160f83b121c7f1c0543949df1a15fa72ac24dae0e0a27afa9d32a",
    "matdyn-dos.out": "fd1a3dde3f056932e9b5eece2984aaffe662d06022c0dae45ece313ca90ee20c",
    "al.dense.in": "cf1e3fd127da10a45424cd0ccfc110a55fa565feb3ab90952b59e21d3b1b0285",
    "al.scf.in": "ae46275c40e0a9737c1f6676ef904c8f2235da755eb835e1a45bb0028f6f242f",
    "al.elph.in": "457f8aedf4d43538eda13503989626469f7d0959cadcdf5b35d8bc915e11bd49",
    "q2r.in": "68d0120adf6233b896f5bfd35a78a8867ff350be16d6eaa833c137878ff38c00",
    "matdyn-dos.in": "a66c5c1f5d96e48b5f260a3f021ad322b52068f39b816d969d577def9fe0dd82",
    "q-weight-source.json": "60c65b6fc33f8f62159a2223dfdd335c03b92df1176c83dedac2ad5013389506",
    "elph_dir/elph.inp_lambda.1": "7e35f39799a6be8fea65c0060499cec0480b9c4142e1e1bacceafb3597112636",
    "elph_dir/elph.inp_lambda.2": "20c82d4151071f581b71482d242bf4e99f084afef35b28d4999142527bb318be",
    "elph_dir/elph.inp_lambda.3": "48ce5690971da28613a6474733cd34cbad58f824cd8e0d0eea68b0bb0e266c46",
    "elph_dir/elph.inp_lambda.4": "8c14cb35ffe6218b4caf79e2f447b07c51b5fa22cb964ba77406f7f71582e266",
    "elph_dir/elph.inp_lambda.5": "76423e2ffa831abc538688f7a10d1ae4f8f35e98f5ce94770668c8cb5ab28dbf",
    "elph_dir/elph.inp_lambda.6": "352d21e845805fde9ccf566ddb2f51c85d1f81360a129d0ed6025c394f5a34d6",
    "elph_dir/elph.inp_lambda.7": "9622efd8f59f1f246aa2407095951920f75e57f6df2661a82bbaf7bafa62238d",
    "elph_dir/elph.inp_lambda.8": "5e5b7c5bd3a4f9e1e2e81ad820dfc666f68e609cf70ce9019ccf9e371a7399de",
    "a2F.dos1": "65608285be90117da8324fce4121f687adcb46b9e6f028d98296c7287ff34838",
    "a2F.dos2": "1e83dd249b9d71dd36c1016226db519c184562393624a5e38ecf0a66c222cd7a",
    "a2F.dos3": "64f5ec450f93db71ec17c89f72ebffff2638cee29398b4a053ab89c5e6a967b7",
    "a2F.dos4": "57148350d4b92a77a283154efeeb9caa947fa3815a1aa3794d26b66030cf9bc4",
    "a2F.dos5": "20982cc80ffde1f4bc73d0b3acff096bfc924e21a2617a13f655bf9376e4ed30",
    "a2F.dos6": "62f4d73d26cd319a9f520815a2ef4cdc696519a1f141f6aba7420d4225096835",
    "a2F.dos7": "f063d732db33fe164f179ac70f417e4ae733f02d221f088dbb089714ef059b7a",
    "a2F.dos8": "0b5d1f620ab75d038f0d588e896385e52dc864b21c70d1dd00b084adea299fb4",
    "a2F.dos9": "e0aa00ca03b994ea251c2cd623e7156e5f95d000124b3554d04bc382177be2d1",
    "a2F.dos10": "35b5557a8745d8f2bd857b18603a6b7ab60aafad3a0e1e7e175b7cfb161a366b"
  },
  "formula_versions": [
    "QE omega_log modified McMillan/Allen-Dynes with f1=f2=1",
    "spectral-moment Allen-Dynes with both f1 and f2"
  ],
  "numerical_crosscheck": "qsum, source-algorithm replay, printed-spectrum quadrature and native Tc agree within printing/integration tolerances",
  "scientific_status": "teaching formula results only; k/q/cutoff convergence not established; mu_star assumed; no material Tc accepted",
  "selected_sigma_Ry_0p020": {
    "sigma_Ry": 0.02,
    "lambda_qsum": 0.3744859375,
    "lambda_native_printed": 0.374486,
    "lambda_spectrum_internal": 0.3745472359798756,
    "lambda_spectrum_printed_trapezoid": 0.3745445563188833,
    "omega_log_native_replay_K": 343.7405850459475,
    "omega_log_printed_K": 343.741,
    "omega_log_spectrum_K": 343.7408705171925,
    "omega2_spectrum_K": 363.3310637012733,
    "mu_star": 0.1,
    "Tc_native_printed_K": 0.969,
    "Tc_QE_replay_K": 0.9690437966359426,
    "Tc_spectrum_simple_K": 0.970016140785092,
    "f1": 1.012069286812726,
    "f2": 1.0008016805320898,
    "Tc_spectrum_full_AD_K": 0.9825105724541605
  }
}