classical{ output_bandgap{ } }

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

• items: \(\mathrm{maximum\;1}\)

Output band gaps for Gamma, L, X (or Delta) bands with reference to the highest valence band edge. Additionally, the difference between the lowest conduction band and the highest valence band edges is written out: MIN(Gamma, L, X (or Delta)) - MAX(hh, lh, so) [eV]

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Maintained Keywords

The keywords below are available in at least one of currently published releases and are not planned to change in the nearest future.

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averaged

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

• type: \(\mathrm{choice}\)

• values: \(\mathrm{yes\;/\;no}\)

• 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.