name

Calling sequence

quantum{ region{ name = "..." } }

Properties

usage: $required$
type: character string

Functionality

Provides a name for the quantum region. This name can be further used to link other models to this specific region.

no_density

Calling sequence

quantum{ region{ no_density = "..." } }

Properties

usage: $optional$
type: choice
values: yes or no
default: no

Functionality

yes $\to$ solutions of the Schrödinger equation for this region are not used for computation of charge densities. no $\to$ solutions of the Schrödinger equation for this region are used for computation of charge densities.

x

Calling sequence

quantum{ region{ x = [..., ...] } }

Properties

usage: $required$
type: vector of 2 real numbers: $(r_{1}, r_{2})$
values: no constraints
units: $[r_{1}] = nm$ , $[r_{2}] = nm$

Functionality

Defines the range of quantum region along the x-axis of the simulation domain with $r_{1}$ and $r_{2}$ defining the beginning and the end of the range, respectively.

y

Calling sequence

quantum{ region{ y = [..., ...] } }

Properties

usage: $optional$
type: vector of 2 real numbers: $(r_{1}, r_{2})$
values: no constraints
default: $r_{1} = 0.0$ , $r_{2} = 0.0$
units: $[r_{1}] = nm$ , $[r_{2}] = nm$

Dependencies

— Can be used for 2D or 3D calculations only.

Functionality

Defines the range of quantum region along the y-axis of the simulation domain with $r_{1}$ and $r_{2}$ defining the beginning and the end of the range, respectively.

z

Calling sequence

quantum{ region{ z = [..., ...] } }

Properties

usage: $optional$
type: vector of 2 real numbers: $(r_{1}, r_{2})$
values: no constraints
default: $r_{1} = 0.0$ , $r_{2} = 0.0$
units: $[r_{1}] = nm$ , $[r_{2}] = nm$

Dependencies

— Can be used for 3D calculation only.

Functionality

Defines the range of quantum region along the z-axis of the simulation domain with $r_{1}$ and $r_{2}$ defining the beginning and the end of the range, respectively.

spin_quantization_axis

Calling sequence

quantum{ region{ spin_quantization_axis = [..., ..., ...] } }

Properties

usage: $conditional$
type: vector of 3 real numbers: $(r_{1}, r_{2}, r_{3})$
values: no constraints
—
units: $[r_{1}] = nm$ , $[r_{2}] = nm$

Dependencies

—

Functionality

Defines spin quantization axis within de simulation coordinate system.

Last update: 27/05/2025