overlap_integrals{ }

Calling sequence

quantum{ region{ overlap_integrals{ } } }

Properties

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

  • items: maximum 1

Functionality

Provides the option to calculate overlap integrals between wave functions of two different bands.

Nested keywords

KP6_Gamma{ }

Calling sequence

quantum{ region{ overlap_integrals{ KP6_Gamma{ } } } }

Properties

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

  • items: maximum 1

Functionality

\(\sum_k \langle kp6_{k,i} | \Gamma_j \rangle\) , with k = 1 .. 6 indexing the component of the six-component \(\mathbf{k} \cdot \mathbf{p}\) wave function and \(i\), \(j\) indexing the wave function numbers. kp_6band{ } and Gamma{ } calculation must be present.

HH_Gamma{ }

Calling sequence

quantum{ region{ overlap_integrals{ HH_Gamma{ } } } }

Properties

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

  • items: maximum 1

Functionality

Matrix element of the transition between the heavy hole valence band and the gamma conduction band \(\langle HH_{i} | \Gamma_j \rangle\)

LH_Gamma{ }

Calling sequence

quantum{ region{ overlap_integrals{ LH_Gamma{ } } } }

Properties

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

  • items: maximum 1

Functionality

Matrix element of the transition between the light hole valence band and the gamma conduction band \(\langle LH_{i} | \Gamma_j \rangle\)

SO_Gamma{ }

Calling sequence

quantum{ region{ overlap_integrals{ SO_Gamma{ } } } }

Properties

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

  • items: maximum 1

Functionality

Matrix element of the transition between the split-off hole valence band and the gamma conduction band \(\langle SO_{i} | \Gamma_j \rangle\)

HH_Delta{ }

Calling sequence

quantum{ region{ overlap_integrals{ HH_Delta{ } } } }

Properties

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

  • items: maximum 1

Functionality

Matrix element of the transition between the heavy hole valence band and the Delta conduction band \(\langle LH_{i} | \Delta_j \rangle\)

LH_Delta{ }

Calling sequence

quantum{ region{ overlap_integrals{ LH_Delta{ } } } }

Properties

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

  • items: maximum 1

Functionality

Matrix element of the transition between the light hole valence band and the Delta conduction band \(\langle LH_{i} | \Delta_j \rangle\)

SO_Delta{ }

Calling sequence

quantum{ region{ overlap_integrals{ SO_Delta{ } } } }

Properties

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

  • items: maximum 1

Functionality

Matrix element of the transition between the split-off hole valence band and the Delta conduction band \(\langle SO_{i} | \Delta_j \rangle\)

HH_X{ }

Calling sequence

quantum{ region{ overlap_integrals{ HH_X{ } } } }

Properties

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

  • items: maximum 1

Functionality

Matrix element of the transition between the heavy hole valence band and the X conduction band \(\langle HH_{i} | X_j \rangle\)

LH_X{ }

Calling sequence

quantum{ region{ overlap_integrals{ LH_X{ } } } }

Properties

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

  • items: maximum 1

Functionality

Matrix element of the transition between the light hole valence band and the X conduction band \(\langle LH_{i} | X_j \rangle\)

SO_X{ }

Calling sequence

quantum{ region{ overlap_integrals{ SO_X{ } } } }

Properties

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

  • items: maximum 1

Functionality

Matrix element of the transition between the split-off valence band and the X conduction band \(\langle SO_{i} | X_j \rangle\)

HH_L{ }

Calling sequence

quantum{ region{ overlap_integrals{ HH_L{ } } } }

Properties

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

  • items: maximum 1

Functionality

Matrix element of the transition between the heavy hole valence band and the L conduction band \(\langle HH_{i} | L_j \rangle\)

LH_L{ }

Calling sequence

quantum{ region{ overlap_integrals{ LH_L{  } } }

Properties

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

  • items: maximum 1

Functionality

Matrix element of the transition between the light hole valence band and the L conduction band \(\langle LH_{i} | L_j \rangle\)

SO_L{ }

Calling sequence

quantum{ region{ overlap_integrals{ SO_L{ } } } }

Properties

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

  • items: maximum 1

Functionality

Matrix element of the transition between the split-off valence band and the L conduction band \(\langle SO_{i} | L_j \rangle\)

output_matrix_elements

Calling sequence

quantum{ region{ overlap_integrals{ output_matrix_elements = ... } } }

Properties

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

  • type: choice

  • values: yes or no

  • default: yes

Functionality

If output_matrix_elements = yes then matrix elements are saved in output file.

output_transition_energies

Calling sequence

quantum{ region{ overlap_integrals{ output_transition_energies = ... } } }

Properties

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

  • type: choice

  • values: yes or no

  • default: no

Functionality

If output_transition_energies = yes then transition energies are saved in output file.

Last update: 27/05/2025