{
  "frozen_window_eV": [
    -0.1,
    0.0
  ],
  "frozen": [
    {
      "state": "Heterostructure 0%",
      "rows": 10533,
      "sc2c_pdos_at_EF_states_per_eV_cell": 2.580958999999999,
      "sc2c_pdos_window_weight_states_per_cell": 0.15076007184800003,
      "zrcl2_pdos_at_EF_states_per_eV_cell": 2.2355353599999996,
      "zrcl2_pdos_window_weight_states_per_cell": 0.16427674380880003,
      "total_projected_pdos_at_EF_states_per_eV_cell": 4.8104,
      "total_projected_pdos_window_weight_states_per_cell": 0.31503460000000005
    },
    {
      "state": "Isolated Sc2C 0%",
      "rows": 10387,
      "sc2c_pdos_at_EF_states_per_eV_cell": 4.239772799999999,
      "sc2c_pdos_window_weight_states_per_cell": 0.3649990949200001,
      "zrcl2_pdos_at_EF_states_per_eV_cell": 0.0,
      "zrcl2_pdos_window_weight_states_per_cell": 0.0,
      "total_projected_pdos_at_EF_states_per_eV_cell": 4.2379999999999995,
      "total_projected_pdos_window_weight_states_per_cell": 0.3650169200000001
    },
    {
      "state": "Heterostructure +1.5%",
      "rows": 10527,
      "sc2c_pdos_at_EF_states_per_eV_cell": 2.03612126,
      "sc2c_pdos_window_weight_states_per_cell": 0.15831904244400002,
      "zrcl2_pdos_at_EF_states_per_eV_cell": 2.4379371,
      "zrcl2_pdos_window_weight_states_per_cell": 0.16832779985210003,
      "total_projected_pdos_at_EF_states_per_eV_cell": 4.4756,
      "total_projected_pdos_window_weight_states_per_cell": 0.32657497
    },
    {
      "state": "Isolated Sc2C +1.5%",
      "rows": 10378,
      "sc2c_pdos_at_EF_states_per_eV_cell": 4.429229199999995,
      "sc2c_pdos_window_weight_states_per_cell": 0.46327825284,
      "zrcl2_pdos_at_EF_states_per_eV_cell": 0.0,
      "zrcl2_pdos_window_weight_states_per_cell": 0.0,
      "total_projected_pdos_at_EF_states_per_eV_cell": 4.431599999999994,
      "total_projected_pdos_window_weight_states_per_cell": 0.46347652
    }
  ],
  "historical_path": {
    "shape": [
      45,
      151,
      31
    ],
    "EF_eV": 0.3133,
    "all_projector_sum_min": 0.8012606644000001,
    "all_projector_sum_max": 0.9999846704999998,
    "crossing_method": "Linear interpolation of adjacent path energy and weights; not a uniform BZ integral."
  },
  "crossings": [
    {
      "band": 26,
      "left_k_index": 84,
      "right_k_index": 85,
      "path_distance_tpiba": 0.8039528571428572,
      "EF_eV": 0.3133,
      "Zr_d": 0.1708798652842857,
      "Sc_d": 0.7107665968085715,
      "C_p": 0.008510361035,
      "Cl_p": 0.030393770887142863,
      "all_projectors": 0.9458193640150001
    },
    {
      "band": 26,
      "left_k_index": 115,
      "right_k_index": 116,
      "path_distance_tpiba": 1.1102608490566037,
      "EF_eV": 0.3133,
      "Zr_d": 0.21917952363301885,
      "Sc_d": 0.6259026149127359,
      "C_p": 0.009573467704716976,
      "Cl_p": 0.034386930789150935,
      "all_projectors": 0.9521753608570755
    },
    {
      "band": 27,
      "left_k_index": 17,
      "right_k_index": 18,
      "path_distance_tpiba": 0.18830847457627112,
      "EF_eV": 0.3133,
      "Zr_d": 0.6878485238169493,
      "Sc_d": 0.09631895234067787,
      "C_p": 0.011280664496610159,
      "Cl_p": 0.09572971369830509,
      "all_projectors": 0.9611765301050849
    },
    {
      "band": 27,
      "left_k_index": 20,
      "right_k_index": 21,
      "path_distance_tpiba": 0.2259431034482759,
      "EF_eV": 0.3133,
      "Zr_d": 0.5748022293465516,
      "Sc_d": 0.174685699024138,
      "C_p": 0.018681614867241382,
      "Cl_p": 0.08004617545172413,
      "all_projectors": 0.960226409710345
    },
    {
      "band": 27,
      "left_k_index": 130,
      "right_k_index": 131,
      "path_distance_tpiba": 1.3014616766467066,
      "EF_eV": 0.3133,
      "Zr_d": 0.2517359125766467,
      "Sc_d": 0.2873124064233533,
      "C_p": 0.057589794022155694,
      "Cl_p": 0.0415124634269461,
      "all_projectors": 0.9421373709922155
    },
    {
      "band": 27,
      "left_k_index": 138,
      "right_k_index": 139,
      "path_distance_tpiba": 1.4147715384615385,
      "EF_eV": 0.3133,
      "Zr_d": 0.7493825446280769,
      "Sc_d": 0.06568598503846153,
      "C_p": 0.006354812989615384,
      "Cl_p": 0.10200471080923076,
      "all_projectors": 0.9640383832465382
    }
  ],
  "definitions": "Window integral is broadened projected spectral weight. It is not charge transfer or carrier density. Frozen QE7.2 and historical QE7.1 path chains are analyzed separately."
}