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]
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.
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 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.