2.6.1. classical{}

specifies which bands enter classical densities and dopant densities.

• Bands and Statistics
• Bulk Electronic Band Structure
• More Output Files

classical{
    # conduction bands
    Gamma{
        output_bandedge{
            averaged = yes
        }
    }
    L{     output_bandedge{ ... } }
    X{     output_bandedge{ ... } }     # or Delta{ output_bandedge{ ... } }

    # valence bands
    HH{    output_bandedge{ ... } }
    LH{    output_bandedge{ ... } }
    SO{    output_bandedge{ ... } }

    #Further output definitions
    output_bandedges{
        profiles = "Gamma HH LH"
        averaged =  no
    }

    output_bandgap{
        averaged =  no
    }

    output_carrier_densities{}

    output_ionized_dopant_densities{}

    output_intrinsic_density{
        boxes = yes
    }

    output_energy_resolved_densities{}

    energy_distribution{
        min = -5.0
        max =  5.0
        energy_resolution = 0.1
        only_quantum_regions = yes
    }

    energy_resolved_density{
        min = -5.0
        max =  5.0
        energy_resolution = 0.1
        only_quantum_regions = yes
    }

    output_photon_density = yes
    output_power_density  = yes

    # Carrier statistics for classical densities
    carrier_statistics = fermi_dirac

    bulk_dispersion{
        KP6{}

        path{
            name = "from_Gamma_to_L"
            position{
                x = 5.5
                y = 10.0
                z = -1.1
            }
            shift_holes_to_zero = yes
            point{
                k = [1.0, 0.0, 0.0]
            }
            ...

            spacing             = 0.5
            num_points          = 10
        }

        lines{
            name = "lines"
            position{
                x = 5.5
                y = 10.0
                z = -1.1
            }
            shift_holes_to_zero = yes
            spacing             = 0.5
            k_max               = 1.0
        }

        full{
            name = "3D"
            position{
                x = 5.5
                y = 10.0
                z = -1.1
            }
            shift_holes_to_zero = yes
            kxgrid{
                line{
                pos     = -1
                spacing = 0.02
                }
                line{
                pos     = 1
                spacing = 0.02
                }
                ...
            }
            kygrid{
                ...
            }
            kzgrid{
                ...
            }
        }

        output_bulk_dispersions{}
        output_masses{}

    } # end: bulk_dispersion{}
}

Below are various variables and functions to be used inside classical{}.