2.2. The input file keywords

Here you can find detailed descriptions about the keywords and specifiers for the input file. The general definition file is keywords.val where valid keywords are defined.

Keywords for setting up the device geometry, material and general settings

  • $input_filename

  • $global-parameters (temperature)

  • $simulation-dimension

  • $simulation-flow-control

  • $strain-minimization-model

  • $electric-field

  • $magnetic-field

  • $numeric-control

Keywords for setting up the device geometry

  • $domain-coordinates

  • $regions

  • $region-cluster

  • $grid-specification

Keywords for setting up material properties

  • $material

  • $binary-zb-default

  • $binary-wz-default

  • $ternary-zb-default

  • $ternary-wz-default

  • $alloy-function

  • $import-data-on-material-grid

Keywords for doping

  • $doping-function

  • $impurity-parameters

  • $material-interfaces

  • $interface-states

Keywords for output

  • $global-settings (output directory)

  • $output-bandstructure

  • $output-densities

  • $output-strain

  • $output-1-band-schroedinger

  • $output-kp-data

  • $output-current-data

  • $output-raw-data

  • $output-grid

  • $output-geometry

  • $output-material

  • $output-file-format

  • $output-section

Keywords for quantum calculations

  • $quantum-regions

  • $quantum-cluster

  • $quantum-model-electrons

  • $quantum-model-holes

  • $quantum-bound-states

  • $quantum-dot-layer-density

  • $optical-absorption

  • $tighten

Keywords for current calculations

  • $poisson-boundary-conditions

  • $voltage-sweep

  • $current-regions

  • $current-cluster

  • $current-models

  • $simple-drift-models

  • $Monte-Carlo (not available yet)

Keywords for recombination

  • $Auger-recombination

  • $direct-recombination (radiative)

  • $SRH-recombination (Shockley-Read-Hall)

  • $quantumstate-recombination-rates

Keywords for mobility models

  • $mobility-model-constant

  • $mobility-model-arora

  • $mobility-model-dar (Darwish)

  • $mobility-model-lom (Lombardi)

  • $mobility-model-masetti

  • $mobility-model-minimos

  • $mobility-model-simba

Keywords for electrolytes

  • $electrolyte

  • $electrolyte-ion-content

  • $buffer-solutions

  • $buffer-constant-A(T)

Keywords for NEGF

  • $CBR-current (ballistic)

  • $global-parameters-NEGF

  • $scattering-mechanisms

  • $contact-type

  • $damping-parameters

  • $roughness-profile

  • $left-contact-potential-profile

  • $right-contact-potential-profile

  • $potential-profile (deprecated)

  • $mass-profile (deprecated)

  • $alloy-profile (deprecated)

  • $nonparabolicity-profile (deprecated)

  • $dielectric-profile (deprecated)

  • $doping-function-NEGF (deprecated)

  • $NEGF-spintronics (for NEGF spintransport code)

Other keywords

  • $warnings

The Fortran Input Parser source code of nextnano³ is open-source: https://github.com/nextnano/FortranInputParser