---
Project:
  Description: SCM Tutorial
  Name: Bulk Simulation
  filename: bulk.bee
yaml:
  compositions:
  - advanced: false
    description: null
    fractions:
    - fraction: 1.0
      material_id: 1
    id: 1
    morphology: {}
    name: Pure TAPC
  materials:
  - E0_homo: 0.0
    E0_lumo: 0.0
    E0_singlet: 0.01
    E0_triplet: 0.01
    T0_homo: 1500.0
    T0_lumo: 1500.0
    T0_singlet: 1500.0
    T0_triplet: 1500.0
    add_carrier_prefactor: 0.0
    classical_reorganization_energy: 0.05
    description: Transport material
    dexter_prefactor: 1.0
    dexter_prefactor_singlet: 1.0
    dexter_prefactor_triplet: 1.0
    dipole_strength: 0.0
    dipole_x: 1.0
    dipole_y: 1.0
    dipole_z: 1.0
    dos_type: Gaussian
    electron_prefactor: 1.0
    emission_spectrum: null
    emission_spectrum_contents: null
    enable_multimode: false
    exciton_dos_type: Gaussian
    extinction_coefficient_k: 0.0
    harmonic_quantum_oscillator_frequency: 25000000000000.0
    hole_prefactor: 1.0
    homo: -5.5
    id: 1
    interchain_prefactor: 1.0
    intrachain_prefactor: 1.0
    isc_rate: 0.0
    lambda_electron: 0.0
    lambda_exciplex: 0.7
    lambda_hole: 0.0
    lambda_singlet: 0.0
    lambda_triplet: 0.0
    lumo: -0.96
    m_epsilon: 0.0
    mlj_modes: []
    name: TAPC
    number_of_vibrations: 10
    optical_only: false
    quadrupole_xx: 1.0
    quadrupole_xy: 0.0
    quadrupole_xz: 0.0
    quadrupole_yy: 1.0
    quadrupole_yz: 0.0
    quadrupole_zz: 1.0
    quantum_mechanical_reorganization_energy: 0.01
    refractive_index: null
    refractive_index_contents: null
    refractive_index_n: 1.8
    risc_rate: 0.0
    sigma_homo: 0.1
    sigma_lumo: 0.1
    sigma_singlet: 0.05
    sigma_triplet: 0.05
    singlet: 0.0
    singlet_binding_energy: 4.54
    singlet_dampening_probability: 0.0
    singlet_nonrad_decay: 100000000.0
    singlet_rad_decay: 0.0
    spontaneous_orientation_polarisation: 0.0
    st_ratio: 0.0
    static_dipole_x: 0.0
    static_dipole_y: 0.0
    static_dipole_z: 0.0
    transition_dipole_anisotropy: 0.33
    triplet: 0.0
    triplet_binding_energy: 4.54
    triplet_dampening_probability: 0.0
    triplet_nonrad_decay: 10000.0
    triplet_rad_decay: 0.0
    tta_ratio: 0.0
  param_sets:
  - absorption_type: material-specific
    acceleration: false
    activated_exciton_reactions: false
    activated_foerster_transfer: true
    activated_isc: false
    alternating_voltage: false
    alternating_voltage_start: 0.0
    avlogging: true
    avlogging_pt: false
    bulk_approximation: 1.0
    bulk_approximation_xfactor: 1.0
    check_field: 10000
    check_position: null
    checkpoints: []
    conserve_fluxes: true
    conserve_region_transitions: false
    consistent_binding_energy: false
    control_field: true
    control_field_step: 0.0001
    control_margin: 0.01
    convergence_criterium: -1.0
    correlated_disorder: false
    correlated_excitonic_disorder: false
    correlation_homo_lumo: uncorrelated
    coulomb: true
    ctnbx: 1
    ctnby: 1
    ctnbz: 1
    degradation: false
    degradationlogging: false
    degrading: true
    description: Bulk simulation with periodic boundary conditions
    dexter_transfer: true
    dipole_range: null
    dipole_x: 1.0
    dipole_y: 1.0
    dipole_z: 1.0
    electrode_approximation: 0.001
    electrode_approximation_depth: 1
    electrode_approximation_xfactor: 10.0
    electron_prefactor: 1.0
    emissionlogging: false
    enable_checkpoints: false
    enable_pulses: false
    epsilon: 3.0
    eventlogging: false
    exciplex_thermal_generation_prefactor: 0.0
    exciplexes: false
    excitonics: false
    exnbx: 2
    exnby: 2
    exnbz: 2
    exproduct: automatic
    fermi_level_left: 0.0
    fermi_level_right: 0.0
    firefly_emission_angle: null
    firefly_emissive_layer: null
    firefly_lambda_max: 800
    firefly_lambda_min: 350
    firefly_lambda_step: 10
    fluence: 0.0
    foerster_orientation_factor: false
    foerster_transfer: true
    high_precision: false
    hole_prefactor: 1.0
    id: 1
    interface_approximation: 1.0
    interface_approximation_depth: 1
    interface_approximation_xfactor: 1.0
    lambda: 0.3
    left_extraction_prefactor: 0.0
    left_injection_prefactor: 0.0
    mat_dipoles: true
    mat_quadrupoles: true
    mat_sop: true
    mat_static_dipoles: true
    max_simtime: -1.0
    maxcarriers: 10000
    minelectrons: 30
    minexcitons: 0
    minholes: 0
    multimode_iteration_limit: 100000
    multimode_method: Sparse
    name: Bulk parameters
    nbx: 2
    nby: 2
    nbz: 2
    nimages: 0
    nnannihilation: false
    nnquenching: false
    noutput: 1000000
    nreport: 5000
    ntimesteps: 30000000
    ny: 50
    nz: 50
    optical: false
    optical_only: false
    output_anneal: 0
    output_equil: 0
    periodicx: true
    phase_resolution: 0.0036
    photoluminescence: false
    psq: 0.0
    ptq: 0.0
    pulses: []
    ql_alpha: 0.0
    quadrupole_xx: 1.0
    quadrupole_xy: 0.0
    quadrupole_xz: 0.0
    quadrupole_yy: 1.0
    quadrupole_yz: 0.0
    quadrupole_zz: 1.0
    rampsteps_anneal: 1
    random_seed: 3
    rc: 10
    rcp: 1.0
    report_anneal: 0
    report_equil: 0
    right_extraction_prefactor: 0.0
    right_injection_prefactor: 0.0
    save_absorption_events: true
    save_absorption_profile: true
    save_absorptions: true
    save_annihilation_events: true
    save_annihilation_profile: true
    save_annihilations: true
    save_carriers: true
    save_carriers_pt: true
    save_charge_profile: true
    save_collection_events: true
    save_current_profile: true
    save_degradation_events: true
    save_degradation_profile: true
    save_degradations: true
    save_disorder: true
    save_disorder_pt: true
    save_dissociation_events: true
    save_dissociation_profile: true
    save_dissociations: true
    save_exciplex_decay: true
    save_exciplex_decay_events: true
    save_exciplex_decay_profile: true
    save_exciplex_nonrad_decay: true
    save_exciplex_nonrad_decay_events: true
    save_exciplex_nonrad_decay_profile: true
    save_exciplex_thermal_generation: true
    save_exciplex_thermal_generation_events: true
    save_exciplex_thermal_generation_profile: true
    save_exciton_profile: true
    save_exciton_transfer_events: true
    save_excitonic_disorder: true
    save_excitonic_disorder_pt: true
    save_excitons: true
    save_excitons_pt: true
    save_generation_events: true
    save_generation_profile: true
    save_generations: true
    save_hop_events: true
    save_injection_events: true
    save_isc_events: true
    save_iscs: true
    save_kappa: true
    save_kappa_pt: true
    save_nonrad_decay_events: true
    save_nonrad_decay_profile: true
    save_nonrad_decays: true
    save_occupation_profiles: true
    save_occupations: false
    save_potential_profile: true
    save_profiles: true
    save_quenching_events: true
    save_quenching_profile: true
    save_quenchings: true
    save_recombination_events: true
    save_recombination_profile: true
    save_recombinations: true
    save_rng_state: true
    save_stats: true
    save_thermal_generation_events: true
    save_thermal_generation_profile: true
    save_thermal_generations: true
    save_transient_annihilations: false
    save_transient_exciplex_decays: false
    save_transient_exciplex_nonrad_decays: false
    save_transient_exciplex_tgens: false
    save_transient_nonrad_decays: false
    save_transient_quenchings: false
    save_transient_recombinations: false
    sbe: 0.75
    six_exciplex_neighbours_only: false
    six_excitonic_neighbors_only: false
    six_neighbors_only: false
    spontaneous_orientation_polarisation: 0.0
    spq: 1.0
    ssa: 1.0
    sta: 1.0
    stack_id: 1
    static_dipole_x: 0.0
    static_dipole_y: 0.0
    static_dipole_z: 0.0
    stop_when_empty: false
    stop_without_excitons: false
    t0: 2.99e-11
    tbe: 1.0
    temperature: 300.0
    thermal_generation_prefactor: 0.0
    timesteps_anneal: 0
    timesteps_equil: 0
    tpq: 1.0
    transfer_type: Miller-Abrahams
    transistor: false
    tta: 1.0
    update_long_range: 100
    use_material_epsilon: false
    var_exciton_binding_energy: true
    varalpha: true
    voltage: 1.0
    voltage_amplitude: 0.0
    voltage_anneal: 0.0
    voltage_frequency: 100000.0
    voltage_log_interval: null
    voltage_phase_shift: 0.0
    voltage_sweep_type: none
    voltage_update_interval: null
    x_prefactor: 1.0
    y_prefactor: 1.0
    z_prefactor: 1.0
    zvoltage: 0.0
  simulations:
  - description: null
    id: 1
    name: null
    sweeps:
    - final_disorder: 2
      first_disorder: 1
      fsp_from: 0.0
      fsp_name: no sweep
      fsp_step: 2
      fsp_to: 1.0
      param_set_id: 1
  stacks:
  - absorptions: []
    autofoerster: false
    cross_layer_parameters: []
    cross_layer_prefactors: []
    degradations: []
    description: null
    dipole_quadrupole_parameters: []
    dopants: []
    exciplex_rates: []
    id: 1
    layers:
    - composition_id: 1
      name: Pure TAPC
      thickness: 50
    name: bulk
    optical_layers: []
    quadrupole_quadrupole_parameters: []