quantum{ region{ output_energies_on_grid{ } } }

Calling sequence

quantum{ region{ output_energies_on_grid{ } } }

Properties

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

  • items: maximum 1

Functionality

Generates and outputs subband occupations extended over the grid.

Nested keywords

max_num

Calling sequence

quantum{ region{ output_energies_on_grid{ max_num = ... } } }

Properties

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

  • type: integer

  • values: \(1 \leq z \leq 9999\)

  • default: not defined

Functionality

—

all_k_points

Calling sequence

quantum{ region{ output_energies_on_grid{ all_k_points = "..." } } }

Properties

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

  • type: choice

  • values: yes or no

  • default: no

Functionality

Prints out the wave functions for all \(k_{||}\) points (1D: \(k_{||} = (k_y,k_z)\), 2D: \(k_{||} = k_z\)) that are used in the k_integration{} or dispersion{}. Enabling this option can produce a large number of output files.

structured

Calling sequence

quantum{ region{ output_energies_on_grid{ structured = "..." } } }

Properties

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

  • type: choice

  • values: yes or no

  • default: no

Functionality

The whole output for quantum{ } is written in subdirectory Quantum/. If enabled, additional subdirectories are created in subdirectory Quantum/ to organize the structure of the output files in a meaningful way.

in_one_file

Calling sequence

quantum{ region{ output_energies_on_grid{ in_one_file = "..." } } }

Properties

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

  • type: choice

  • values: yes or no

  • default: yes

Functionality

—

Last update: 27/05/2025