name

Calling sequence

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

Properties

  • usage: \(\mathrm{\textcolor{WildStrawberry}{required}}\)

  • 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: \(\mathrm{\textcolor{ForestGreen}{optional}}\)

  • type: choice

  • values: yes or no

  • default: no

Functionality

yes \(\rightarrow\) solutions of the Schrödinger equation for this region are not used for computation of charge densities. no \(\rightarrow\) solutions of the Schrödinger equation for this region are used for computation of charge densities.

x

Calling sequence

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

Properties

  • usage: \(\mathrm{\textcolor{WildStrawberry}{required}}\)

  • type: vector of 2 real numbers: \((r_1, r_2)\)

  • values: no constraints

  • units: \([r_1]=\mathrm{nm}\), \([r_2]=\mathrm{nm}\)

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: \(\mathrm{\textcolor{ForestGreen}{optional}}\)

  • type: vector of 2 real numbers: \((r_1, r_2)\)

  • values: no constraints

  • default: \(r_1=0.0\), \(r_2=0.0\)

  • units: \([r_1]=\mathrm{nm}\), \([r_2]=\mathrm{nm}\)

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: \(\mathrm{\textcolor{ForestGreen}{optional}}\)

  • type: vector of 2 real numbers: \((r_1, r_2)\)

  • values: no constraints

  • default: \(r_1=0.0\), \(r_2=0.0\)

  • units: \([r_1]=\mathrm{nm}\), \([r_2]=\mathrm{nm}\)

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: \(\mathrm{\textcolor{Dandelion}{conditional}}\)

  • type: vector of 3 real numbers: \((r_1, r_2, r_3)\)

  • values: no constraints

  • —

  • units: \([r_1]=\mathrm{nm}\), \([r_2]=\mathrm{nm}\)

Dependencies

—

Functionality

Defines spin quantization axis within the simulation coordinate system.

Last update: 27/05/2025