www.nextnano.com/manual/nextnano3/input_file/keywords/quantum-cluster.html
Quantum cluster
For quantum solutions, you have to define quantum regions ($quantum-regions) and
quantum clusters
on which certain quantum models ($quantum-model-electrons,
$quantum-models-holes) are applied.
As for the regions and current-regions, quantum-regions can be clustered. At least cluster number 1 has to be specified
if the quantum mechanical properties have to be calculated at all.
The syntax of the region-cluster, quantum-cluster, and current-cluster is
very similar.
For more info on specifiers see $region-cluster,
$current-cluster.
!-------------------------------------------------------------!
$quantum-cluster
optional !
cluster-number
integer
required !
region-numbers
integer_array
required !
deactivate-cluster
character
optional !
apply-constant-el-Fermi-level
double
optional !
apply-constant-hl-Fermi-level
double
optional !
$end_quantum-cluster
optional !
!-------------------------------------------------------------!
Syntax
cluster-number =
1
an integer number to refer to geometry element
region-numbers =
1
region numbers, belonging to cluster
deactivate-cluster =
yes
=
no
Flag to switch off quantum clusters (yes|Yes|YES).
Anything else means NO (default).
Switching off quantum means classical simulation.
This is a very convenient way to turn the quantum mechanical calculation off and
on.
apply-constant-el-Fermi-level =
0.2 ! [eV]
apply-constant-hl-Fermi-level = 0.2 !
[eV]
Applies a constant electron and/or hole Fermi level to this
quantum cluster.
| 