Syntax of the input file

Keywords

Here you can find detailed descriptions about the keywords in the input file keywords.val.

Keywords with * have been documented in the new Manual.

General

$input_filename*

$warnings*

$global-settings (output directory)

$global-parameters (temperature)

$simulation-dimension*

$simulation-flow-control

$strain-minimization-model

$electric-field

$magnetic-field*

$numeric-control

Sample

$domain-coordinates

$regions*

$region-cluster*

$grid-specification

Material

$material

$binary-zb-default

$binary-wz-default

$ternary-zb-default

$ternary-wz-default

$alloy-function

$import-data-on-material-grid

$electrolyte             (for Bio-Chips: Electrolyte -> Poisson-Boltzmann equation)

$electrolyte-ion-content (for Bio-Chips: Electrolyte -> Poisson-Boltzmann equation)

$buffer-solutions        (for Bio-Chips: Electrolyte -> Poisson-Boltzmann equation)

$buffer-constant-A(T)*   (for Bio-Chips: Electrolyte -> Poisson-Boltzmann equation)

Doping

$doping-function

$impurity-parameters*

$material-interfaces

$interface-states

Quantum

$quantum-regions

$quantum-cluster*

$quantum-model-electrons

$quantum-model-holes

$quantum-bound-states

$quantum-dot-layer-density

$optical-absorption*

$tighten*

Current

$voltage-sweep

$current-regions*

$current-cluster*

$poisson-boundary-conditions

$current-models*

$simple-drift-models

$mobility-model-simba*

$mobility-model-lom*

$mobility-model-dar*

$mobility-model-constant*

$mobility-model-masetti*

$mobility-model-arora*

$mobility-model-minimos*

$CBR-current (ballistic current calculation)

$Monte-Carlo (Monte Carlo transport - not working yet)

$global-parameters-NEGF           (for NEGF code)
$damping-parameters               (for NEGF code)
$scattering-mechanisms            (for NEGF code)
$contact-type                     (for NEGF code)
$doping-function-NEGF             (for NEGF code)
$potential-profile                (for NEGF code)
$left-contact-potential-profile   (for NEGF code)
$right-contact-potential-profile  (for NEGF code)
$mass-profile                     (for NEGF code)
$nonparaboolicity-profile         (for NEGF code)
$dielectric-profile               (for NEGF code)
$roughness-profile                (for NEGF code)
$alloy-profile                    (for NEGF code)

$NEGF-spintronics*                (for NEGF spintransport code)

Recombination

$SRH-recombination*

$Auger-recombination*

$direct-recombination*

$quantumstate-recombination-rates

The output specification in the input file

For each group of available data there is a certain keyword like '$output-bandstructure' for example. Following this keyword, a destination directory is demanded, which has to be present and existent.
The name of the directory has to include a trailing slash ('dir\' for PC and 'dir/' for UNIX).
The following specifications are either flags, which have to be 'yes' or 'no', or numbers for bands and eigenvalues. So far the following output options are implemented:

$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