overlap_integrals{ }

Calling sequence

quantum{ region{ overlap_integrals{ } } }

Properties

• usage: $\mathrm{optional}$

• items: maximum 1

Functionality

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

Nested keywords

KP6_Gamma{ } HH_Gamma{ } LH_Gamma{ } SO_Gamma{ } HH_Delta{ }

LH_Delta{ } SO_Delta{ } HH_X{ } LH_X{ } SO_X{ }

HH_L{ } LH_L{ } SO_L{ } output_matrix_elements output_transition_energies

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KP6_Gamma{ }

Calling sequence

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

Properties

• usage: $\mathrm{optional}$

• items: maximum 1

Functionality

$\sum _k⟨kp{6}_{k,i}|{\mathrm{\Gamma }}_j⟩$ , 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.

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HH_Gamma{ }

Calling sequence

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

Properties

• usage: $\mathrm{optional}$

• items: maximum 1

Functionality

Matrix element of the transition between the heavy hole valence band and the gamma conduction band $⟨H{H}_i|{\mathrm{\Gamma }}_j⟩$

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LH_Gamma{ }

Calling sequence

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

Properties

• usage: $\mathrm{optional}$

• items: maximum 1

Functionality

Matrix element of the transition between the light hole valence band and the gamma conduction band $⟨L{H}_i|{\mathrm{\Gamma }}_j⟩$

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SO_Gamma{ }

Calling sequence

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

Properties

• usage: $\mathrm{optional}$

• items: maximum 1

Functionality

Matrix element of the transition between the split-off hole valence band and the gamma conduction band $⟨S{O}_i|{\mathrm{\Gamma }}_j⟩$

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HH_Delta{ }

Calling sequence

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

Properties

• usage: $\mathrm{optional}$

• items: maximum 1

Functionality

Matrix element of the transition between the heavy hole valence band and the Delta conduction band $⟨L{H}_i|{\mathrm{\Delta }}_j⟩$

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LH_Delta{ }

Calling sequence

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

Properties

• usage: $\mathrm{optional}$

• items: maximum 1

Functionality

Matrix element of the transition between the light hole valence band and the Delta conduction band $⟨L{H}_i|{\mathrm{\Delta }}_j⟩$

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SO_Delta{ }

Calling sequence

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

Properties

• usage: $\mathrm{optional}$

• items: maximum 1

Functionality

Matrix element of the transition between the split-off hole valence band and the Delta conduction band $⟨S{O}_i|{\mathrm{\Delta }}_j⟩$

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HH_X{ }

Calling sequence

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

Properties

• usage: $\mathrm{optional}$

• items: maximum 1

Functionality

Matrix element of the transition between the heavy hole valence band and the X conduction band $⟨H{H}_i|X_j⟩$

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LH_X{ }

Calling sequence

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

Properties

• usage: $\mathrm{optional}$

• items: maximum 1

Functionality

Matrix element of the transition between the light hole valence band and the X conduction band $⟨L{H}_i|X_j⟩$

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SO_X{ }

Calling sequence

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

Properties

• usage: $\mathrm{optional}$

• items: maximum 1

Functionality

Matrix element of the transition between the split-off valence band and the X conduction band $⟨S{O}_i|X_j⟩$

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HH_L{ }

Calling sequence

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

Properties

• usage: $\mathrm{optional}$

• items: maximum 1

Functionality

Matrix element of the transition between the heavy hole valence band and the L conduction band $⟨H{H}_i|L_j⟩$

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LH_L{ }

Calling sequence

quantum{ region{ overlap_integrals{ LH_L{  } } }

Properties

• usage: $\mathrm{optional}$

• items: maximum 1

Functionality

Matrix element of the transition between the light hole valence band and the L conduction band $⟨L{H}_i|L_j⟩$

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SO_L{ }

Calling sequence

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

Properties

• usage: $\mathrm{optional}$

• items: maximum 1

Functionality

Matrix element of the transition between the split-off valence band and the L conduction band $⟨S{O}_i|L_j⟩$

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output_matrix_elements

Calling sequence

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

Properties

• usage: $\mathrm{optional}$

• type: choice

• values: yes or no

• default: yes

Functionality

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

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output_transition_energies

Calling sequence

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

Properties

• usage: $\mathrm{optional}$

• type: choice

• values: yes or no

• default: no

Functionality

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

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Last update: 27/05/2025