quantum{ region{ output_energies_on_grid{ } } }

Calling sequence

quantum{ region{ output_energies_on_grid{ } } }

Properties

• usage: $\mathrm{optional}$

• items: maximum 1

Functionality

Generates and outputs subband occupations extended over the grid.

Nested keywords

max_num all_k_points structured in_one_file

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max_num

Calling sequence

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

Properties

• usage: $\mathrm{optional}$

• type: integer

• values: $1\le z\le 9999$

• default: not defined

Functionality

—

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all_k_points

Calling sequence

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

Properties

• usage: $\mathrm{optional}$

• 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.

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structured

Calling sequence

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

Properties

• usage: $\mathrm{optional}$

• 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.

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in_one_file

Calling sequence

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

Properties

• usage: $\mathrm{optional}$

• type: choice

• values: yes or no

• default: yes

Functionality

—

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Last update: 17/04/2025