classical{ X{ } }

  • \(\mathrm{\textcolor{Aquamarine}{optional}}\)

  • items: \(\mathrm{maximum\;1}\)

By calling this group, three conduction bands with minimums at \(X\) points become available in the model. The bands are referred to as X_1, X_2, and X_3 for the \(X\) valleys located at [1 0 0], [0 1 0], and [0 0 1] directions, respectively, in output files.


This group does not apply to Si, Ge, GaP, and to materials with wurtzite symmetry

Maintained Keywords

The keywords below are available in at least one of currently published releases and are planned to be included also in the next release.

output_bandedge{ }

  • \(\mathrm{\textcolor{Aquamarine}{optional}}\)

  • items: \(\mathrm{maximum\;1}\)

Output minimum (band edge) of this band as energy profile in a single file [eV].

output_bandedge{ averaged }

  • \(\mathrm{\textcolor{Aquamarine}{optional}}\)

  • type: \(\mathrm{choice}\)

  • choices: \(\mathrm{yes\;/\;no}\)

  • default: \(\mathrm{no}\)

If set to yes then, for each grid point, the energy profile will be averaged between neighboring material grid points. If set to no then abrupt discontinuities at interfaces are visible in the output files (in 1D two points, in 2D four points, in 3D eight points for each grid point).