Output{ }¶
- Calling sequence
Output{ }
- Dependencies
Exactly one of EnergyResolvedPlots must be defined if EnergyResolvedPlotsMinimumEnergyGridSpacing is defined.
Exactly one of EnergyResolvedPlots must be defined if EnergyResolvedPlotsFullRealSpaceResolutionForCurrent is defined.
- Functionality
Specifications of the output data and formats.
- Example
Output{ EnergyResolvedPlots = yes EnergyResolvedPlotsMinimumEnergyGridSpacing = 0.5 EnergyResolvedPlotsFullRealSpaceResolutionForCurrent = yes EnergyResolvedGain = yes EnergyResolvedGainForEachPhotonEnergy = yes PlotDispersion = 2 InPlaneKResolvedData = yes FLDFormat = yes VTKFormat = yes GnuplotFormat = yes ScaleWaveFunction = 1.0 SXYZBasis = no WavefunctionComponents = no }
The following keywords are available within this group.
EnergyResolvedPlots¶
- Calling sequence
Output{ EnergyResolvedPlots }
- Properties
choices:
yes
;no
default:
no
- Functionality
Determines whether to output two-dimensional energy-resolved graphs for the local density of states, electron density, and current density.
EnergyResolvedPlotsMinimumEnergyGridSpacing¶
- Calling sequence
Output{ EnergyResolvedPlotsMinimumEnergyGridSpacing }
- Properties
type: \(\mathrm{real\;number}\)
values:
[0.0, ...)
- Functionality
—
EnergyResolvedPlotsFullRealSpaceResolutionForCurrent¶
- Calling sequence
Output{ EnergyResolvedPlotsFullRealSpaceResolutionForCurrent }
- Properties
choices:
yes
;no
default:
yes
- Functionality
—
EnergyResolvedGain¶
- Calling sequence
Output{ EnergyResolvedGain }
- Properties
choices:
yes
;no
default:
no
- Functionality
Determines whether to output position-resolved gain spectrum.
EnergyResolvedGainForEachPhotonEnergy¶
- Calling sequence
Output{ EnergyResolvedGainForEachPhotonEnergy }
- Properties
choices:
yes
;no
default:
no
- Functionality
Determines whether to output energy-resolved gain spectrum for each photon energy.
PlotDispersion¶
- Calling sequence
Output{ PlotDispersion }
- Properties
type: \(\mathrm{integer}\)
values:
{0, 1, 2}
- Functionality
Choose the format of output data:
0
= output data at the smallest in-plane k shifted1
= output data only at the smallest in-plane k2
= output data summed over in-plane k
InPlaneKResolvedData¶
- Calling sequence
Output{ InPlaneKResolvedData }
- Properties
choices:
yes
;no
default:
no
- Functionality
If
yes
, output in-plane k-resolved data of the wavefunctions, spectral functions, current densities, etc.- Properties
choices:
yes
;no
default:
no
FLDFormat¶
- Calling sequence
Output{ FLDFormat }
- Properties
choices:
yes
;no
default:
no
- Functionality
If
yes
, output energy-resolved data in the AVS/Express format (.fld extension).
VTKFormat¶
- Calling sequence
Output{ FLDFormat }
- Properties
choices:
yes
;no
default:
yes
- Functionality
If
yes
, output energy-resolved data in the VTK format (.vtr extension).
GnuplotFormat¶
- Calling sequence
Output{ GnuplotFormat }
- Properties
choices:
yes
;no
default:
yes
- Functionality
If
yes
, output energy-resolved data in the Gnuplot format (.plt extension). In a File Explorer, double-click on the file to generate gnuplot figure.
ScaleWaveFunction¶
- Calling sequence
Output{ ScaleWaveFunction }
- Properties
type: \(\mathrm{real\;number}\)
default:
1.0
- Functionality
Scale the output of the square of the wavefunctions by the given factor.
WavefunctionComponents¶
- Calling sequence
Output{ WavefunctionComponents }
- Properties
choices:
yes
;no
- Functionality
If
yes
, output the spinor components of the wavefunctions in respective bases. Default isyes
for NumberOfBands less than 8, andno
for 8-band model.
SXYZBasis¶
- Calling sequence
Output{ SXYZBasis }
- Properties
choices:
yes
;no
default:
no
- Functionality
If
yes
, output the wavefunction components in the S-X-Y-Z basis (only effective in the 8-band model).
Last update: 29/10/2024