overlap_integrals{ }
Calling sequence
quantum{ region{ overlap_integrals{ } } }
Properties
usage: \(\mathrm{\textcolor{ForestGreen}{optional}}\)
items: maximum 1
Functionality
Triggers calculation of absolute values and square absolute values of polarization-dependent envelope overlap integrals summed over the bases of the selected pairs of band models. See our documentation on Envelope-function representation for the details.
Provides the option to calculate overlap integrals between wave functions of two different bands.
Nested keywords
Gamma_KP6{ }
Calling sequence
quantum{ region{ overlap_integrals{ Gamma_KP6{ } } } }
Properties
usage: \(\mathrm{\textcolor{ForestGreen}{optional}}\)
items: maximum 1
Functionality
Calculates \(|\sum_{\alpha \in \Basis[6]}\braket{\EnvelopeFunction_{\Gamma_6\Indexm\WaveK}}{\EnvelopeFunction_{\alpha\Indexn\WaveK}}|\) and \(|\sum_{\alpha \in \Basis[6]}\braket{\EnvelopeFunction_{\Gamma_6\Indexm\WaveK}}{\EnvelopeFunction_{\alpha\Indexn\WaveK}}|^2\) and outputs them to bias_*/Quantum/[QUANTUM_REGION_NAME]/Gamma_kp6/overlap_integrals_*.*.
Gamma_HH{ }
Calling sequence
quantum{ region{ overlap_integrals{ Gamma_HH{ } } } }
Properties
usage: \(\mathrm{\textcolor{ForestGreen}{optional}}\)
items: maximum 1
Functionality
Calculates \(|\braket{\EnvelopeFunction_{\Gamma_6\Indexm\WaveK}}{\EnvelopeFunction_{HH\Indexn\WaveK}}|\) and \(|\braket{\EnvelopeFunction_{\Gamma_6\Indexm\WaveK}}{\EnvelopeFunction_{HH\Indexn\WaveK}}|^2\) and outputs them to bias_*/Quantum/[QUANTUM_REGION_NAME]/Gamma_HH/overlap_integrals_*.*.
Gamma_LH{ }
Calling sequence
quantum{ region{ overlap_integrals{ Gamma_LH{ } } } }
Properties
usage: \(\mathrm{\textcolor{ForestGreen}{optional}}\)
items: maximum 1
Functionality
Calculates \(|\braket{\EnvelopeFunction_{\Gamma_6\Indexm\WaveK}}{\EnvelopeFunction_{LH\Indexn\WaveK}}|\) and \(|\braket{\EnvelopeFunction_{\Gamma_6\Indexm\WaveK}}{\EnvelopeFunction_{LH\Indexn\WaveK}}|^2\) and outputs them to bias_*/Quantum/[QUANTUM_REGION_NAME]/Gamma_LH/overlap_integrals_*.*.
Gamma_SO{ }
Calling sequence
quantum{ region{ overlap_integrals{ Gamma_SO{ } } } }
Properties
usage: \(\mathrm{\textcolor{ForestGreen}{optional}}\)
items: maximum 1
Functionality
Calculates \(|\braket{\EnvelopeFunction_{\Gamma_6\Indexm\WaveK}}{\EnvelopeFunction_{SO\Indexn\WaveK}}|\) and \(|\braket{\EnvelopeFunction_{\Gamma_6\Indexm\WaveK}}{\EnvelopeFunction_{SO\Indexn\WaveK}}|^2\) and outputs them to bias_*/Quantum/[QUANTUM_REGION_NAME]/Gamma_SO/overlap_integrals_*.*.
Delta_HH{ }
Calling sequence
quantum{ region{ overlap_integrals{ Delta_HH{ } } } }
Properties
usage: \(\mathrm{\textcolor{ForestGreen}{optional}}\)
items: maximum 1
Functionality
Calculates \(|\braket{\EnvelopeFunction_{\Delta\Indexm\WaveK}}{\EnvelopeFunction_{HH\Indexn\WaveK}}|\) and \(|\braket{\EnvelopeFunction_{\Delta\Indexm\WaveK}}{\EnvelopeFunction_{HH\Indexn\WaveK}}|^2\) and outputs them to bias_*/Quantum/[QUANTUM_REGION_NAME]/Delta_HH/overlap_integrals_*.*.
Delta_LH{ }
Calling sequence
quantum{ region{ overlap_integrals{ Delta_LH{ } } } }
Properties
usage: \(\mathrm{\textcolor{ForestGreen}{optional}}\)
items: maximum 1
Functionality
Calculates \(|\braket{\EnvelopeFunction_{\Delta\Indexm\WaveK}}{\EnvelopeFunction_{LH\Indexn\WaveK}}|\) and \(|\braket{\EnvelopeFunction_{\Delta\Indexm\WaveK}}{\EnvelopeFunction_{LH\Indexn\WaveK}}|^2\) and outputs them to bias_*/Quantum/[QUANTUM_REGION_NAME]/Delta_LH/overlap_integrals_*.*.
Delta_SO{ }
Calling sequence
quantum{ region{ overlap_integrals{ Delta_SO{ } } } }
Properties
usage: \(\mathrm{\textcolor{ForestGreen}{optional}}\)
items: maximum 1
Functionality
Calculates \(|\braket{\EnvelopeFunction_{\Delta\Indexm\WaveK}}{\EnvelopeFunction_{SO\Indexn\WaveK}}|\) and \(|\braket{\EnvelopeFunction_{\Delta\Indexm\WaveK}}{\EnvelopeFunction_{SO\Indexn\WaveK}}|^2\) and outputs them to bias_*/Quantum/[QUANTUM_REGION_NAME]/Delta_SO/overlap_integrals_*.*.
X_HH{ }
Calling sequence
quantum{ region{ overlap_integrals{ X_HH{ } } } }
Properties
usage: \(\mathrm{\textcolor{ForestGreen}{optional}}\)
items: maximum 1
Functionality
Calculates \(|\braket{\EnvelopeFunction_{X\Indexm\WaveK}}{\EnvelopeFunction_{HH\Indexn\WaveK}}|\) and \(|\braket{\EnvelopeFunction_{X\Indexm\WaveK}}{\EnvelopeFunction_{HH\Indexn\WaveK}}|^2\) and outputs them to bias_*/Quantum/[QUANTUM_REGION_NAME]/X_HH/overlap_integrals_*.*.
X_LH{ }
Calling sequence
quantum{ region{ overlap_integrals{ X_LH{ } } } }
Properties
usage: \(\mathrm{\textcolor{ForestGreen}{optional}}\)
items: maximum 1
Functionality
Calculates \(|\braket{\EnvelopeFunction_{X\Indexm\WaveK}}{\EnvelopeFunction_{LH\Indexn\WaveK}}|\) and \(|\braket{\EnvelopeFunction_{X\Indexm\WaveK}}{\EnvelopeFunction_{LH\Indexn\WaveK}}|^2\) and outputs them to bias_*/Quantum/[QUANTUM_REGION_NAME]/X_LH/overlap_integrals_*.*.
X_SO{ }
Calling sequence
quantum{ region{ overlap_integrals{ X_SO{ } } } }
Properties
usage: \(\mathrm{\textcolor{ForestGreen}{optional}}\)
items: maximum 1
Functionality
Calculates \(|\braket{\EnvelopeFunction_{X\Indexm\WaveK}}{\EnvelopeFunction_{SO\Indexn\WaveK}}|\) and \(|\braket{\EnvelopeFunction_{X\Indexm\WaveK}}{\EnvelopeFunction_{SO\Indexn\WaveK}}|^2\) and outputs them to bias_*/Quantum/[QUANTUM_REGION_NAME]/X_SO/overlap_integrals_*.*.
L_HH{ }
Calling sequence
quantum{ region{ overlap_integrals{ L_HH{ } } } }
Properties
usage: \(\mathrm{\textcolor{ForestGreen}{optional}}\)
items: maximum 1
Functionality
Calculates \(|\braket{\EnvelopeFunction_{L\Indexm\WaveK}}{\EnvelopeFunction_{HH\Indexn\WaveK}}|\) and \(|\braket{\EnvelopeFunction_{L\Indexm\WaveK}}{\EnvelopeFunction_{HH\Indexn\WaveK}}|^2\) and outputs them to bias_*/Quantum/[QUANTUM_REGION_NAME]/L_HH/overlap_integrals_*.*.
L_LH{ }
Calling sequence
quantum{ region{ overlap_integrals{ L_LH{ } } }
Properties
usage: \(\mathrm{\textcolor{ForestGreen}{optional}}\)
items: maximum 1
Functionality
Calculates \(|\braket{\EnvelopeFunction_{L\Indexm\WaveK}}{\EnvelopeFunction_{LH\Indexn\WaveK}}|\) and \(|\braket{\EnvelopeFunction_{L\Indexm\WaveK}}{\EnvelopeFunction_{LH\Indexn\WaveK}}|^2\) and outputs them to bias_*/Quantum/[QUANTUM_REGION_NAME]/L_LH/overlap_integrals_*.*.
L_SO{ }
Calling sequence
quantum{ region{ overlap_integrals{ L_SO{ } } } }
Properties
usage: \(\mathrm{\textcolor{ForestGreen}{optional}}\)
items: maximum 1
Functionality
Calculates \(|\braket{\EnvelopeFunction_{L\Indexm\WaveK}}{\EnvelopeFunction_{SO\Indexn\WaveK}}|\) and \(|\braket{\EnvelopeFunction_{L\Indexm\WaveK}}{\EnvelopeFunction_{SO\Indexn\WaveK}}|^2\) and outputs them to bias_*/Quantum/[QUANTUM_REGION_NAME]/L_SO/overlap_integrals_*.*.
Last update: 2025-08-29