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Phoebe developer's documentation
1.1.0
Phonon and Electron Boltzmann Equations
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Phoebe developer's documentation
1.1.0
Phonon and Electron Boltzmann Equations
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class representing the electron scattering matrix. More...
#include <base_el_scattering_matrix.h>
Public Member Functions | |
| BaseElScatteringMatrix (Context &context_, StatisticsSweep &statisticsSweep_, BaseBandStructure &innerBandStructure_, BaseBandStructure &outerBandStructure_) | |
| Constructor that just calls the constructor of scattering matrix. | |
 Public Member Functions inherited from ScatteringMatrix | |
| ScatteringMatrix (Context &context_, StatisticsSweep &statisticsSweep_, BaseBandStructure &innerBandStructure_, BaseBandStructure &outerBandStructure_) | |
| Scattering matrix constructor. More... | |
| ScatteringMatrix () | |
| Default constructor. | |
| void | setup () |
| This method needs to be called right after the constructor. More... | |
| VectorBTE | diagonal () |
| Returns the diagonal matrix elements. More... | |
| double & | operator() (const int &row, const int &col) |
| Get and set operator. More... | |
| VectorBTE | offDiagonalDot (VectorBTE &inPopulation) |
| Computes the product A*f - diagonal(A)*f where A is the scattering matrix and f is the vector of quasiparticle populations. | |
| std::vector< VectorBTE > | offDiagonalDot (std::vector< VectorBTE > &inPopulations) |
| VectorBTE | dot (VectorBTE &inPopulation) |
| Computes the product A*f where A is the scattering matrix and f is the vector of quasiparticle populations. | |
| std::vector< VectorBTE > | dot (std::vector< VectorBTE > &inPopulations) |
| VectorBTE | getSingleModeTimes () |
| Call to obtain the single-particle relaxation times of the systems. More... | |
| VectorBTE | getLinewidths () |
| Converts symmetrized internal scattering matrix diagonal to linewidths and returns the result. More... | |
| void | setLinewidths (VectorBTE &linewidths) |
| Call to set the single-particle linewidths. More... | |
| VectorBTE | getSingleModeTimes (const VectorBTE &anyInternalDiagonal) |
| Call to obtain the single-particle relaxation times of the systems given any internal diagonal like object – (basically, the linewidths but potentially scaled by some symmetrization factor) More... | |
| VectorBTE | getLinewidths (const VectorBTE &anyInternalDiagonal) |
| Call to obtain the single-particle linewidths. More... | |
| void | a2Omega () |
| Converts the scattering matrix from the form A to the symmetrised Omega. More... | |
| void | omega2A () |
| The inverse of a2Omega, converts the matrix Omega to A. | |
| std::tuple< Eigen::VectorXd, ParallelMatrix< double > > | diagonalize (int numEigenvalues=0) |
| Diagonalize the scattering matrix. More... | |
| int | getSMatrixIndex (BteIndex &bteIndex, CartIndex &cartIndex) |
| Function to combine a BTE index and a cartesian index into one index of the scattering matrix. More... | |
| std::tuple< BteIndex, CartIndex > | getSMatrixIndex (const int &iMat) |
| Function to split a scattering matrix index (on rows/columns of S) into a BTE index and a cartesian index. More... | |
| void | symmetrize () |
| Reinforce the condition that the matrix is symmetric. | |
| void | relaxonsToJSON (const std::string &fileName, const Eigen::VectorXd &eigenvalues) |
| Output relaxons scattering matrix quantities to file (particularly the tau values) Jenny's note: However, I have a feeling this should be elsewhere, as we're actually passing the eigenvalues back into this function. More... | |
| std::vector< std::tuple< int, int > > | getAllLocalStates () |
| Call the underlying PMatrix function to return the iterator of all elements of the matrix which are local. More... | |
| void | outputToHDF5 (const std::string &outFileName) |
| Outputs the matrix to an hdf5 file. More... | |
Protected Attributes | |
| std::shared_ptr< VectorBTE > | linewidthMR |
| Protected Attributes inherited from ScatteringMatrix | |
| Context & | context |
| StatisticsSweep & | statisticsSweep |
| BaseBandStructure & | innerBandStructure |
| BaseBandStructure & | outerBandStructure |
| enum MatrixCase | matrixCase |
| bool | constantRTA = false |
| bool | highMemory = true |
| bool | outputUNTimes = false |
| double | boundaryLength |
| bool | doBoundary |
| bool | isMatrixOmega = false |
| bool | isCoupled = false |
| std::function< std::tuple< long, long >long, long, const Particle &, const Particle &)> | shiftToCoupledIndices |
| std::shared_ptr< VectorBTE > | internalDiagonal |
| std::shared_ptr< VectorBTE > | internalDiagonalUmklapp |
| std::shared_ptr< VectorBTE > | internalDiagonalNormal |
| ParallelMatrix< double > | theMatrix |
| int | numStates |
| int | numCalculations |
| int | dimensionality_ |
| int | numElStates = 0 |
| std::vector< int > | excludeIndices |
Friends | |
| void | addElPhScattering (BaseElScatteringMatrix &matrix, Context &context, std::vector< VectorBTE > &inPopulations, std::vector< VectorBTE > &outPopulations, std::vector< std::tuple< std::vector< int >, int >> kPairIterator, Eigen::MatrixXd &innerFermi, BaseBandStructure &innerBandStructure, BaseBandStructure &outerBandStructure, PhononH0 &phononH0, InteractionElPhWan &couplingElPhWan, std::shared_ptr< VectorBTE > linewidth) |
| void | addChargedImpurityScattering (BaseElScatteringMatrix &matrix, Context &context, std::vector< VectorBTE > &inPopulations, std::vector< VectorBTE > &outPopulations, std::vector< std::tuple< std::vector< int >, int >> kPairIterator, BaseBandStructure &innerBandStructure, BaseBandStructure &outerBandStructure, std::shared_ptr< VectorBTE > linewidth) |
| void | add_eeDMFT (BaseElScatteringMatrix &matrix, const Context &context, BaseBandStructure &outerBandStructure, std::shared_ptr< VectorBTE > linewidth) |
Additional Inherited Members | |
| Static Public Member Functions inherited from ScatteringMatrix | |
| static void | symmetrizeCoupling (Eigen::Tensor< double, 3 > &coupling, const Eigen::VectorXd &energies1, const Eigen::VectorXd &energies2, const Eigen::VectorXd &energies3) |
| Average the coupling for degenerate states. More... | |
| Protected Member Functions inherited from ScatteringMatrix | |
| virtual void | builder (std::shared_ptr< VectorBTE > linewidth, std::vector< VectorBTE > &inPopulations, std::vector< VectorBTE > &outPopulations)=0 |
| Method that actually computes the scattering matrix. More... | |
| std::vector< std::tuple< std::vector< int >, int > > | getIteratorWavevectorPairs (const bool &rowMajor=false) |
| Returns a vector of pairs of wavevector indices to iterate over during the construction of the scattering matrix. More... | |
| void | degeneracyAveragingLinewidths (std::shared_ptr< VectorBTE > linewidth) |
| Performs an average of the linewidths over degenerate states. More... | |
| Eigen::MatrixXd | precomputeOccupations (BaseBandStructure &bandStructure) |
| Function to precompute particle populations before scattering rates are calculated. More... | |
| std::vector< int > | getExcludeIndices (BaseBandStructure &bandStructure) |
| Method which for a phonon bandstructure returns the indices to be discarded in a phonon calculation due to very low phonon frequencies. More... | |
| void | setMatrixCase (std::shared_ptr< VectorBTE > linewidth, std::vector< VectorBTE > &inPopulations, std::vector< VectorBTE > &outPopulations) |
| void | addRateToMatrix (const Context &context, double linewidthRate, double matrixRate, int iCalc, int is1, int is2Irr, int iBte1, int iBte2, const Particle &p1, const Particle &p2, const Eigen::Matrix3d &rotation, std::shared_ptr< VectorBTE > linewidth, const std::vector< VectorBTE > &inPopulations, std::vector< VectorBTE > &outPopulations) |
| Method to add scattering rate to matrix and linewidth containers. More... | |
| void | enforceDetailedBalance () |
| A function to fix the linewidths to agree with the off diagonal elements, to enforce finding the special eigenvectors. | |
| void | replaceMatrixLinewidths () |
| Replace the linewidths of the scatterng matrix with the supplied VectorBTE values. | |
| std::tuple< BaseBandStructure *, BaseBandStructure * > | getStateBandStructures (const BteIndex &iBte1, const BteIndex &iBte2) |
| Returns a tuple of final and initial particles for a give state. More... | |
| std::tuple< int, int > | coupledToBandStructureIndices (const int &iBte1, const int &iBte2, const Particle &p1, const Particle &p2) |
| If we have a coupled scattering matrix, we need to shift the matrix element indices back to those associated with ph and el bandstructures before accessing their quantities. More... | |
| template<size_t n> | |
| void | addUNRates (int iCalc, int iBte, double rate, const std::array< Point, n > &crysPoints, auto momentumConsExpr) |
| Generic function to add UN times to their containers. More... | |
This class holds the absolute essentials (electronH0) that any electron scattering matrix must have
1.9.1