2.6.1. classical{}

• \(\mathrm{\textcolor{WildStrawberry}{required}}\)

• items: \(\mathrm{exactly\;1}\)

This group specifies bands entering simulation, allows computing bulk electronic band structures, selects carrier statistics, initializes some energy resolved calculations, controls outputs of bulk-like properties.

Important

The following general conditions must be satisfied when defining classical{}

• If global{ crystal_zb{ } } is present in the input file, then at least one of the following: classical{ Gamma{ } }, classical{ X{ } }, classical{ Delta{ } }, and classical{ L{ } } must be defined inside this group.

• If global{ crystal_wz{ } } is present in the input file, then classical{ Gamma{ } } must be defined inside this group.

• At least one of the following: classical{ LH{ } }, classical{ HH{ } }, or classical{ SO{ } } must be defined inside this group.

• Maximum one of the following: classical{ X{ } } or classical{ Delta{ } } can be defined inside this group.

• If global{ crystal_wz{ } } is present in the input file, then none of the following: classical{ X{ } }, classical{ Delta{ } }, and classical{ L{ } } can be defined inside this group.

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The following keywords can be used inside this group.

• classical{ Gamma{ } }
• classical{ HH{ } }
• classical{ LH{ } }
• classical{ SO{ } }
• classical{ X{ } }
• classical{ Delta{ } }
• classical{ L{ } }
• classical{ carrier_statistics }
• classical{ energy_distribution{ } }
• classical{ energy_resolved_density{ } }
• classical{ bulk_dispersion{ } }
• classical{ output_bandgap{ } }
• classical{ output_bandedges{ } }
• classical{ output_carrier_densities{ } }
• classical{ output_band_densities{ } }
• classical{ output_ionized_dopant_densities{ } }
• classical{ output_intrinsic_density{ } }