Gamma{ }
Calling sequence
classical{ Gamma{ } }
Properties
usage:
items: maximum 1
Dependencies
At least one of the following: Gamma{ }, X{ }, Delta{ }, and L{ } is required if global{ crystal_zb{ } } is present in the input file.
The Gamma{ } is required if global{ crystal_wz{ } } is present in the input file.
Functionality
By calling this group, a conduction band with a minimum at Gamma
in output files.
Example
classical{
Gamma{}
HH{}
}
Nested keywords
output_bandedge{ }
Calling sequence
classical{ Gamma{ output_bandedge{ } } }
Properties
usage:
items: maximum 1
Functionality
Output minimum (band edge) of this band as energy profile in a single file [eV].
Example
classical{
Gamma{
output_bandedge{}
}
HH{}
}
output_bandedge{ averaged }
Calling sequence
classical{ Gamma{ output_bandedge{ averaged } } }
Properties
usage:
type: choice
values:
yes
orno
default:
no
Functionality
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).
Example
classical{
Gamma{
output_bandedge{
averaged = yes
}
}
HH{}
}