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