classical{ output_bandedges{ } }

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

  • items: \(\mathrm{maximum\;1}\)

Output selected band edges (extrema of selected bands of bulk materials) and Fermi levels in one file named bandedges.dat.

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.


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

  • type: \(\mathrm{enumerator}\)

  • values: \(\mathrm{Gamma\;/\;HH\;/\;LH\;/\;SO\;/\;X\;/\;Delta\;/\;L\;/\;electron\_fermi\_level\;/\;hole\_fermi\_level}\)

  • default: \(\mathrm{Gamma\;/\;HH\;/\;LH\;/\;SO\;/\;X\;/\;Delta\;/\;L\;/\;electron\_fermi\_level\;/\;hole\_fermi\_level}\)

Enumerate band edges and quasi-Fermi levels for output. If this keyword is not defined then all profiles are written to the ouptut.


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

  • type: \(\mathrm{choice}\)

  • choices: \(\mathrm{yes\;/\;no}\)

  • default: \(\mathrm{no}\)

If set to yes, then for each grid point the band gaps will be averaged between neighboring material grid points. If set to no, then abrupt discontinuities at interfaces introducing two points, four points, and eight points for each grid point for 1D, 2D, and 3D simulations, respectively.


profiles = "Gamma HH LH"