output_states{ }#

Added in version 3.0.0.

Calling sequence

quantum{ region{ output_states{ } } }

Properties

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

  • items: maximum 1

Functionality

Provides options for output of wave function data

Nested keywords

max_num#

Added in version 3.0.0.

Calling sequence

quantum{ region{ output_states{ max_num = ... } } }

Properties

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

  • type: integer

  • values: \(1 \leq z \leq 9999\)

  • default: not defined

Functionality

—

all_k_points#

Added in version 3.0.0.

Calling sequence

quantum{ region{ output_states{ 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{}. Enabling this option can produce a large number of output files.

envelopes#

Added in version 3.0.0.

Calling sequence

quantum{ region{ output_states{ envelopes = "..." } } }

Properties

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

  • type: choice

  • values: yes or no

  • default: yes

Functionality

When set to yes then outputs bias_00000/Quantum/.../.../envelopes_*_SXYZ.dat are generated for \(\mathbf{k} \cdot \mathbf{p}\) models and bias_00000/Quantum/.../.../envelopes.dat for 1-band models. The file contains envelope-function components \(\EnvelopeFunction_{\alpha}\Arguments{\Pos}\) for a spinor expressed in the \(\BasisKane[8]\) basis, see Envelope-function representation for more details.

envelopes_CB_HH_LH_SO#

Added in version 3.0.0.

Calling sequence

quantum{ region{ output_states{ envelopes_CB_HH_LH_SO = "..." } } }

Properties

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

  • type: choice

  • values: yes or no

  • default: no

Functionality

When set to yes then outputs bias_00000/Quantum/.../.../envelopes_*_CbHhLhSo.dat are generated for \(\mathbf{k} \cdot \mathbf{p}\). The file contains envelope-function components \(\EnvelopeFunction_{\alpha}\Arguments{\Pos}\) for a spinor expressed in the \(\BasisTd[8]\) basis, see Envelope-function representation for more details.

probabilities#

Added in version 3.0.0.

Calling sequence

quantum{ region{ output_states{ probabilities = "..." } } }

Properties

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

  • type: choice

  • values: yes or no

  • default: yes

Functionality

When set to yes then output bias_00000/Quantum/.../.../probabilities_*.dat are generated. The file contains probability densities \(\sum_{\alpha}|\EnvelopeFunction_{\alpha}\Arguments{\Pos}|^2\).

probability_components#

Added in version 3.0.0.

Calling sequence

quantum{ region{ output_states{ probabilities_partial = "..." } } }

Properties

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

  • type: choice

  • values: yes or no

  • default: no

Functionality

When set to yes then output bias_00000/Quantum/.../.../probabilities_*_SXYZ.dat are generated for \(\mathbf{k} \cdot \mathbf{p}\) models and bias_00000/Quantum/.../.../probabilities.dat for 1-band models. The file contains partial probabilities \(|\EnvelopeFunction_{\alpha}\Arguments{\Pos}|^2\) for a spinor expressed in the \(\BasisKane[8]\) basis, see Envelope-function representation for more details.

probabilities_partial_CB_HH_LH_SO#

Added in version 3.0.0.

Calling sequence

quantum{ region{ output_states{ probabilities_partial_CB_HH_LH_SO = "..." } } }

Properties

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

  • type: choice

  • values: yes or no

  • default: no

Functionality

When set to yes then output bias_00000/Quantum/.../.../probabilities_partial_*_CbHhLhSo.dat are generated for \(\mathbf{k} \cdot \mathbf{p}\). The file contains partial probabilities \(|\EnvelopeFunction_{\alpha}\Arguments{\Pos}|^2\) for a spinor expressed in the \(\BasisTd[8]\) basis, see Envelope-function representation for more details.

spinor_composition#

Added in version 3.0.0.

Calling sequence

quantum{ region{ output_states{ spinor_composition = "..." } } }

Properties

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

  • type: choice

  • values: yes or no

  • default: no

Functionality

When set to yes then output bias_00000/Quantum/.../.../spinor_composition_*_SXYZ.dat`are generated for |k_dot_p| models and :output:`bias_00000/Quantum/.../.../spinor_composition.dat for 1-band models. The file contains integrated partial probabilities \(\braket{\EnvelopeFunction_{\alpha\Indexm\WaveG}}{\EnvelopeFunction_{\alpha\Indexn\WaveK}}\) for a spinor expressed in the \(\BasisKane[8]\) basis, see Envelope-function representation for more details.

spinor_composition_CB_HH_LH_SO#

Added in version 3.0.0.

Calling sequence

quantum{ region{ output_states{ spinor_composition_CB_HH_LH_SO = "..." } } }

Properties

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

  • type: choice

  • values: yes or no

  • default: no

Functionality

When set to yes then output bias_00000/Quantum/.../.../spinor_composition_*_SXYZ.dat are generated. The file contains integrated partial probabilities \(\braket{\EnvelopeFunction_{\alpha\Indexm\WaveG}}{\EnvelopeFunction_{\alpha\Indexn\WaveK}}\) for a spinor expressed in the \(\BasisTd[8]\) basis, see Envelope-function representation for more details.

in_one_file#

Added in version 3.0.0.

Calling sequence

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

Properties

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

  • type: choice

  • values: yes or no

  • default: yes

Functionality

Prints out the amplitudes into one file and the probabilities into one file. If no is chosen, for each eigenvalue a separate file is written out.

scale#

Added in version 3.0.0.

Calling sequence

quantum{ region{ output_states{ scale = ... } } }

Properties

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

  • type: real number

  • values: no constraints

  • default: \(r=1.0\)

  • unit: \(\mathrm{-}\)

Functionality

Scale factor for output of amplitudes and probabilities

energy_shift#

Added in version 3.0.0.

Calling sequence

quantum{ region{ output_states{ energy_shift = "..." } } }

Properties

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

  • type: choice

  • values: shifted or not_shifted or both

  • default: both

Functionality

shifted : prints out the amplitudes and the probabilities shifted by the energy.
not_shifted : prints out the amplitudes and the probabilities as they are (an integral over volume is equal to 1).
both : prints out the amplitudes and the probabilities with and without energy shift.

include_energies_in_shifted_files#

Added in version 3.0.0.

Calling sequence

quantum{ region{ output_states{ include_energies_in_shifted_files = "..." } } }

Properties

—

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

  • type: choice

  • values: yes or no

  • default: yes

Functionality

Selects if the energy levels are added in output of shifted amplitudes and probabilities or not. If no is selected a separate file with energy levels is written out.

Note

The energy spectrum (i.e. the eigenvalues) are always written into the files energy_spectrum_*.dat. The projections of the eigenfunctions on the basis states of the bulk Hamiltonian are written into the files spinor_composition_*.dat.