Output{ }¶

Calling sequence

Output{ }

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: —
Functionality: —

EnergyResolvedPlotsFullRealSpaceResolutionForCurrent¶

Calling sequence: Output{ EnergyResolvedPlotsFullRealSpaceResolutionForCurrent }
Properties: —
Functionality: —

EnergyResolvedGain¶

Calling sequence

Output{ EnergyResolvedGain }

Properties

choices: yes; no
default: no

Functionality

Determines whether to output energy-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: \(\mathrm{integer}\)

Functionality

If 0, output data at the smallest in-plane k shifted. If 1, output data only at the smallest in-plane k. If 2, 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: yes

Functionality

If yes, output energy-resolved data in the FLD format.

VTKFormat¶

Calling sequence

Output{ FLDFormat }

Properties

choices: yes; no
default: yes

Functionality

If yes, output energy-resolved data in the VTK format.

GnuplotFormat¶

Calling sequence

Output{ GnuplotFormat }

Properties

choices: yes; no
default: yes

Functionality

If yes, output energy-resolved data in the Gnuplot format.

ScaleWaveFunction¶

Calling sequence

Output{ ScaleWaveFunction }

Properties

type: \(\mathrm{real\;number}\)
default: 1.0

Functionality

Scale the wavefunction outputs by given factor.

WavefunctionComponents¶

Calling sequence

Output{ WavefunctionComponents }

Properties

choices: yes; no
default: no

Functionality

If yes, output the spinor components of the wavefunctions.

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).