output_bandedges{ }
Calling sequence
classical{ output_bandedges{ } }
Properties
usage:
items: maximum 1
Functionality
Output selected band edges (extrema of selected bands of bulk materials) and Fermi levels in one file named bandedges.dat.
Example
classical{
output_bandedges{}
Gamma{}
HH{}
}
Nested keywords
profiles
Calling sequence
classical{ output_bandedges{ profiles } }
Properties
usage:
type: enumerator
values:
Gamma
;HH
;LH
;SO
;X
;Delta
;L
;electron_fermi_level
;hole_fermi_level
default:
Gamma ``; ``HH ``; ``LH ``; ``SO ``; ``X ``; ``Delta ``; ``L ``; ``electron_fermi_level ``; ``hole_fermi_level
Functionality
Enumerate band edges and quasi-Fermi levels for output. If this keyword is not defined then all profiles are written to the ouptut.
Examples
classical{
output_bandedges{
profiles = "Gamma"
}
Gamma{}
HH{}
}
classical{
output_bandedges{
profiles = "Gamma HH electron_fermi_level"
}
Gamma{}
HH{}
}
averaged
Calling sequence
classical{ output_bandedges{ averaged } }
Properties
usage:
type: choice
values:
yes
orno
default:
no
Functionality
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.
Examples
classical{
output_bandedges{
averaged = yes
}
Gamma{}
HH{}
}