Output{ }

Calling sequence

Output{ }

Dependencies
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 shifted

  • 1 = output data only at the smallest in-plane k

  • 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: 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 is yes for NumberOfBands less than 8, and no 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