FullBandStructure Class Reference

FullBandStructure is the class that stores the energies, velocities and eigenvectors of a quasiparticle computed on a set of wavevectors (as defined by Points() ) in the Brillouin zone. More...

#include <bandstructure.h>

Inheritance diagram for FullBandStructure:

Collaboration diagram for FullBandStructure:

Public Member Functions
	FullBandStructure (int numBands_, Particle &particle_, bool withVelocities, bool withEigenvectors, Points &points_, bool isDistributed_=false)
	Constructor of the FullBandStructure. More...
	FullBandStructure (const FullBandStructure &that)
	Copy constructor.
FullBandStructure &	operator= (const FullBandStructure &that)
	Copy assignment operator.
void	symmetrize ()
	Symmetrizes the full band structure energies.
Particle	getParticle () override
	Get the Particle object associated with this class. More...
Points	getPoints () override
	Returns the wavevectors on which the band structure is computed. More...
Point	getPoint (const int &pointIndex) override
	Returns a wavevector, given a wavevector index. More...
int	getNumPoints (const bool &useFullGrid=false) override
	Returns the total number of k/q-points. More...
int	getNumBands () override
	Returns the number of bands. More...
int	getFullNumBands () override
int	getNumBands (WavevectorIndex &ik) override
	Returns the number of bands, to provide flexibility in cases where full or activeBandStructure could be used. More...
int	hasWindow () override
	Checks whether the bandStructure has been built discarding some Bloch states from those available. More...
bool	getIsDistributed () override
	Returns the boolean determining if this band structure is distributed or not.
bool	getHasEigenvectors ()
size_t	getIndex (const WavevectorIndex &ik, const BandIndex &ib) override
	Builds a Bloch state index, which runs on both wavevector index and band index. More...
std::tuple< WavevectorIndex, BandIndex >	getIndex (const int &is) override
	Given a Bloch state index, finds the corresponding wavevector and band index. More...
std::tuple< WavevectorIndex, BandIndex >	getIndex (StateIndex &is) override
	Given a Bloch state index, finds the corresponding wavevector and band index. More...
int	getNumStates () override
	Returns the total number of Bloch states, equal to numPoints*numBands. More...
std::vector< int >	getLocalWavevectorIndices ()
	Returns the indices of all wavevector indices on this process, or in an undistributed case, returns all wavevector indices. More...
std::vector< std::tuple< WavevectorIndex, BandIndex > >	getLocalEnergyStateIndices ()
	Returns the indices of all n,k indices on this process, or in an undistributed case, returns all state indices. More...
std::vector< int >	getLocalBandIndices () const
	Returns the indices of all state indices on this process, or in an undistributed case, returns all state indices. More...
const double &	getEnergy (StateIndex &is) override
	Returns the energy of a quasiparticle from its Bloch index. More...
const double &	getEnergy (WavevectorIndex &ik, BandIndex &ib)
	Returns the energy of a quasiparticle from its band and wavevector index. More...
Eigen::VectorXd	getEnergies (WavevectorIndex &ik) override
	Returns the energies of all quasiparticle computed at a specified wavevector. More...
double	getMaxEnergy () override
	Return the maximum energy of a bandstructure. More...
Eigen::Vector3d	getGroupVelocity (StateIndex &is) override
	Returns the group velocity of a quasiparticle from its Bloch index. More...
Eigen::MatrixXd	getGroupVelocities (WavevectorIndex &ik) override
	Returns the group velocity of a quasiparticle for all bands at a specified wavevector index. More...
Eigen::Tensor< std::complex< double >, 3 >	getVelocities (WavevectorIndex &ik) override
	Returns the velocity operator (including off-diagonal matrix elements) of the quasiparticles at the specified wavevector index. More...
Eigen::MatrixXcd	getEigenvectors (WavevectorIndex &ik) override
	Obtain the eigenvectors of the quasiparticles at a specified wavevector. More...
Eigen::Tensor< std::complex< double >, 3 >	getPhEigenvectors (WavevectorIndex &ik) override
	Obtain the eigenvectors of the quasiparticles at a specified wavevector. More...
Eigen::Vector3d	getWavevector (StateIndex &is) override
	Returns the energy of a quasiparticle from its Bloch index. More...
Eigen::Vector3d	getWavevector (WavevectorIndex &ik) override
	Returns the energy of a quasiparticle from its Bloch index. More...
void	setEnergies (Point &point, Eigen::VectorXd &energies_) override
	Method to save quasiparticle energies inside FullBandStructure(). More...
void	setEigenvectors (Point &point, Eigen::MatrixXcd &eigenvectors_) override
	Method to save quasiparticle eigenvectors inside FullBandStructure(). More...
void	setVelocities (Point &point, Eigen::Tensor< std::complex< double >, 3 > &velocities_) override
	Saves in the class the velocities computed at a particular point. More...
void	setEnergies (Eigen::Vector3d &point, Eigen::VectorXd &energies_)
	Method to save quasiparticle eigenvectors inside FullBandStructure(). More...
Eigen::VectorXd	getBandEnergies (int &bandIndex)
	Returns all electronic energies for all wavevectors at fixed band index Used by the Fourier interpolation of the band structure. More...
std::vector< Eigen::Matrix3d >	getRotationsStar (WavevectorIndex &ikIndex) override
	Given a irreducible point index, find the list of rotations to reconstruct the equivalent points. More...
std::vector< Eigen::Matrix3d >	getRotationsStar (StateIndex &isIndex) override
	Given an irreducible Bloch state (i.e. More...
std::tuple< int, Eigen::Matrix3d >	getRotationToIrreducible (const Eigen::Vector3d &x, const int &basis=Points::crystalCoordinates) override
	Given a point in crystal or cartesian coordinates, returns the index of the irreducible point and the rotation such that rotation*irrPoint = redPoint. More...
BteIndex	stateToBte (StateIndex &isIndex) override
	Utility method to convert an index over Bloch states in the band structure into a Bloch state index usable by VectorBTE. More...
StateIndex	bteToState (BteIndex &iBteIndex) override
	Utility method to convert an index over Bloch states in a VectorBTE into the Bloch state index in the band structure. More...
std::vector< int >	irrStateIterator () override
	Iterator over the Bloch states in the band structure, over just the irreducible wavevectors, but isn't distributed over MPI processes. More...
std::vector< int >	parallelIrrStateIterator () override
	Iterator over the Bloch states in the band structure, distributed over MPI processes, running only over irreducible wavevectors. More...
std::vector< int >	irrPointsIterator () override
	Iterator over the irreducible points indices. More...
std::vector< int >	parallelIrrPointsIterator () override
	Iterator over the irreducible points indices. More...
int	getNumIrrStates () override
	Returns the number of irreducible points for this band structure.
int	getPointIndex (const Eigen::Vector3d &crystalCoordinates, const bool &suppressError=false) override
	Find the index of a point in the reducible list of points, given its coordinates in the crystal basis. More...
std::vector< int >	getReducibleStarFromIrreducible (const int &ik) override
	Method to find the points equivalent to an irreducible point. More...
Public Member Functions inherited from BaseBandStructure
virtual	~BaseBandStructure ()=default
	Base destructor for bandstructure class, silences warnings.
virtual std::vector< size_t >	parallelStateIterator ()
	Returns an iterator to be used for loops over the Bloch state index. More...
void	outputComponentsToJSON (const std::string &outFileName="bandstructure.json")
	Outputs the bandstructure information to file, either sym reduced or not. More...
void	printBandStructureStateInfo (const int &fullNumBands)
	A function to print information about how many states are in this bandstructure, and how things were reduced by filtering of states. More...

Protected Attributes
Particle	particle
Points &	points
bool	isDistributed = false
bool	hasEigenvectors = false
bool	hasVelocities = false
Matrix< double >	energies
Matrix< std::complex< double > >	velocities
Matrix< std::complex< double > >	eigenvectors
int	numBands = 0
int	numAtoms = 0
size_t	numPoints = 0
int	numLocalPoints = 0

Friends
class	ActiveBandStructure

Detailed Description

By default, each MPI process holds a full copy of the band structure. However, the band structure can be distributed over the wavevectors, if so specified in the constructor.

An important note for developers: When using a distributed band structure, looping over numStates of the band structure will not work – you need to loop over the iterator of indices provided by getStateIndices or getWavevectorIndices. The class will throw errors when nonlocal values are being requested. All functions in band structure are written to take the global wavevector indices associated with the Points object internal to the band structure (because we use the Point class to find wavevector indices in get and set functions of band structure).

Constructor & Destructor Documentation

FullBandStructure()

FullBandStructure::FullBandStructure	(	int	numBands_,
		Particle &	particle_,
		bool	withVelocities,
		bool	withEigenvectors,
		Points &	points_,
		bool	isDistributed_ = false
	)

Parameters

numBands	an integer with the number of bands in the system
particle	a Particle object that contains the type of quasiparticle
withVelocities	a boolean to decide whether to store velocities
withEigenvectors	a boolean to decide whether to store eigenVectors
points	the underlying mesh of wavevectors.
isDistributed	if true, we distribute in memory the storage of quantities, parallelizing over wavevectors (points). By default we don't distribute data in parallel.

Here is the call graph for this function:

Here is the caller graph for this function:

Member Function Documentation

bteToState()

StateIndex FullBandStructure::bteToState ( BteIndex &  iBteIndex )

overridevirtual

Unlike stateToBte, this should always have a solution.

Parameters

iBteIndex

index of the Bloch state in the BTE

Returns

StateIndex: the index of the Bloch state in the band structure.

Implements BaseBandStructure.

Here is the call graph for this function:

getBandEnergies()

Eigen::VectorXd FullBandStructure::getBandEnergies

(

int &

bandIndex

)

Parameters

bandIndex

index in [0,numBands[ for the quasiparticle band

Returns

energies: a vector of size numPoints with the QP energies. Energies are ordered as the underlying wavevectors in Points.

Here is the call graph for this function:

Here is the caller graph for this function:

getEigenvectors()

Eigen::MatrixXcd FullBandStructure::getEigenvectors ( WavevectorIndex &  ik )

overridevirtual

Parameters

wavevectorIndex

a WavevectorIndex(ik) object where ik is the integer wavevector index running over [0,numPoints-1].

Returns

eigenvectors: a complex matrix(numBands,numBands) where numBands is the number of Bloch states present at the specified wavevector. Eigenvectors are ordered along columns. Note that not all band structure interpolations may give eigenvectors.

Implements BaseBandStructure.

Here is the call graph for this function:

Here is the caller graph for this function:

getEnergies()

Eigen::VectorXd FullBandStructure::getEnergies ( WavevectorIndex &  ik )

overridevirtual

Parameters

wavevectorIndex

a WavevectorIndex(ik) where ik is an integer index running over the wavevectors [0,numPoints-1]

Returns

energies: an Eigen vector of quasiparticle energies for that given wavevector. Phonon energies are referred to zero, with negative energies being actually complex phonon frequencies. Electronic energies are not saved with any particular reference, and should be used together with the chemical potential computed by StatisticsSweep. In rydberg units.

Implements BaseBandStructure.

Here is the call graph for this function:

Here is the caller graph for this function:

getEnergy() [1/2]

const double & FullBandStructure::getEnergy ( StateIndex &  is )

overridevirtual

Same as getEnergy(const int &stateIndex), but using a StateIndex input

Parameters

stateIndex

a StateIndex(is) object where 'is' is an integer running over the number of states [0,numStates-1].

Returns

energy: the value of the QP energy for that given Bloch index. Phonon energies are referred to zero, with negative energies being actually complex phonon frequencies. Electronic energies are not saved with any particular reference, and should be used together with the chemical potential computed by StatisticsSweep. By policy, it's in rydberg units.

Implements BaseBandStructure.

Here is the call graph for this function:

Here is the caller graph for this function:

getEnergy() [2/2]

const double & FullBandStructure::getEnergy	(	WavevectorIndex &	ik,
		BandIndex &	ib
	)

Same as getEnergy(const int &stateIndex), but using ib,ik instead. ik should always be the global wavevector index, or this will be wrong!

Parameters

ik	the wavevector index of the particle state
ib	the band index of the particle state

Returns

energy: the value of the QP energy for that given Bloch index. Phonon energies are referred to zero, with negative energies being actually complex phonon frequencies. Electronic energies are not saved with any particular reference, and should be used together with the chemical potential computed by StatisticsSweep. By policy, it's in rydberg units.

Here is the call graph for this function:

getGroupVelocities()

Eigen::MatrixXd FullBandStructure::getGroupVelocities ( WavevectorIndex &  ik )

overridevirtual

Used for accessing the band structure in the BTE.

Parameters

wavevectorIndex

a WavevectorIndex(ik) object where 'ik' is an integer index running over the wavevectors in range [0,numPoints-1]

Returns

velocity: a matrix(numBands,3) with the group velocity, in cartesian basis and in atomic rydberg units.

Implements BaseBandStructure.

Here is the call graph for this function:

getGroupVelocity()

Eigen::Vector3d FullBandStructure::getGroupVelocity ( StateIndex &  is )

overridevirtual

Used for accessing the band structure in the BTE.

Parameters

stateIndex

a StateIndex(is) object where 'is' is an integer index in the range [0,numStates[

Returns

velocity: a 3d vector with velocity. By policy, we save it in the cartesian basis and in atomic rydberg units.

Implements BaseBandStructure.

Here is the call graph for this function:

getIndex() [1/3]

std::tuple< WavevectorIndex, BandIndex > FullBandStructure::getIndex ( const int &  is )

overridevirtual

Parameters

stateIndex

integer from 0 to numStates-1=numBands*numPoints-1

Returns

WavevectorIndex: strong-typed index on wavevector

BandIndex: strong-typed index on bands

Implements BaseBandStructure.

getIndex() [2/3]

size_t FullBandStructure::getIndex ( const WavevectorIndex &  ik, const BandIndex &  ib  )

overridevirtual

ik runs from 0 to numPoints-1, ib from 0 to numBands-1. It's used to view the various matrices such as energy as a 1D vector, and can be used in combination with get() methods.

Parameters

wavevectorIndex

strong-typed index on wavevector

Returns

stateIndex: integer from 0 to numStates-1=numBands*numPoints-1

Implements BaseBandStructure.

Here is the caller graph for this function:

getIndex() [3/3]

std::tuple< WavevectorIndex, BandIndex > FullBandStructure::getIndex ( StateIndex &  is )

overridevirtual

Parameters

stateIndex

StateIndex(is) object where is is an integer from 0 to numStates-1=numBands*numPoints-1

Returns

WavevectorIndex: strong-typed index on wavevector

BandIndex: strong-typed index on bands

Implements BaseBandStructure.

Here is the call graph for this function:

getLocalBandIndices()

std::vector< int > FullBandStructure::getLocalBandIndices

(

)

const

Returns

stateIndices: a vector of is state indices for use as an iterator. Returns the indices of all bands on this process, or in an undistributed case, returns all band indices.

bandIndices: a vector of band indices for use as an iterator.

getLocalEnergyStateIndices()

std::vector< std::tuple< WavevectorIndex, BandIndex > > FullBandStructure::getLocalEnergyStateIndices

(

)

Returns

stateIndices: a vector of tuples of (ib,ik) indices for use as an iterator.

Here is the call graph for this function:

Here is the caller graph for this function:

getLocalWavevectorIndices()

std::vector< int > FullBandStructure::getLocalWavevectorIndices

(

)

Returns

wavevectorIndices: a vector of wavevector indices for use as an iterator.

Here is the call graph for this function:

Here is the caller graph for this function:

getMaxEnergy()

double FullBandStructure::getMaxEnergy ( )

overridevirtual

Used when ph energy maximum is a cutoff for phel scattering.

Returns

maxEnergy: maximum energy value of bandstructure in Ry

Implements BaseBandStructure.

getNumBands() [1/2]

int FullBandStructure::getNumBands ( )

overridevirtual

Returns

numBands: the total number of bands in the bandStructure.

Implements BaseBandStructure.

Here is the caller graph for this function:

getNumBands() [2/2]

int FullBandStructure::getNumBands ( WavevectorIndex &  ik )

overridevirtual

Returns

numBands: the total number of bands in the bandStructure.

Implements BaseBandStructure.

getNumPoints()

int FullBandStructure::getNumPoints ( const bool &  useFullGrid = false )

overridevirtual

Parameters

useFullGrid

used for compatibility with the ActiveBandStructure, it doesn't affect the returned value.

Returns

numPoints: the total number of wavevectors of the bandStructure.

Implements BaseBandStructure.

Here is the call graph for this function:

Here is the caller graph for this function:

getNumStates()

int FullBandStructure::getNumStates ( )

overridevirtual

Returns

numStates: the total number of Bloch states in the class.

Implements BaseBandStructure.

Here is the call graph for this function:

Here is the caller graph for this function:

getParticle()

Particle FullBandStructure::getParticle ( )

overridevirtual

Returns

particle: a Particle object, describing e.g. whether this is a phonon or electron bandStructure

Implements BaseBandStructure.

Here is the caller graph for this function:

getPhEigenvectors()

Eigen::Tensor< std::complex< double >, 3 > FullBandStructure::getPhEigenvectors ( WavevectorIndex &  ik )

overridevirtual

It's only meaningful for the phonon band structure, where eigenvectors are more naturally represented in this shape!

Parameters

wavevectorIndex

a WavevectorIndex(ik) object where ik is the integer wavevector index running over [0,numPoints-1].

Returns

eigenvectors: a complex tensor (3,numAtoms,numBands) where numBands is the number of Bloch states present at the specified wavevector, numAtoms is the number of atoms in the crystal unit cell and 3 is a cartesian directions.

Implements BaseBandStructure.

Here is the call graph for this function:

getPoint()

Point FullBandStructure::getPoint ( const int &  pointIndex )

overridevirtual

The wavevector index runs from 0 to numPoints-1

Implements BaseBandStructure.

Here is the call graph for this function:

Here is the caller graph for this function:

getPointIndex()

int FullBandStructure::getPointIndex ( const Eigen::Vector3d &  crystalCoordinates, const bool &  suppressError = false  )

overridevirtual

Parameters

crystalCoordinates	coordinates of the point in crystal basis
suppressError	default false. If false, will throw an error if the point is not found

Returns

ik: the index of the point

Implements BaseBandStructure.

Here is the call graph for this function:

getPoints()

Points FullBandStructure::getPoints ( )

overridevirtual

Returns

Points: the object representing the Brillouin zone wavevectors.

Implements BaseBandStructure.

Here is the caller graph for this function:

getReducibleStarFromIrreducible()

std::vector< int > FullBandStructure::getReducibleStarFromIrreducible ( const int &  ik )

overridevirtual

Parameters

ik	index of the irreducible point, with ik running on the full list of reducible points.

Returns

vector<int>: the list of indices of the reducible points equivalent to point #ik.

Implements BaseBandStructure.

Here is the call graph for this function:

getRotationsStar() [1/2]

std::vector< Eigen::Matrix3d > FullBandStructure::getRotationsStar ( StateIndex &  isIndex )

overridevirtual

any band at an irreducible point), find the list of rotations to reconstruct the equivalent points.

Parameters

isIndex

Index of the irreducible Bloch State. This index is a number between 0 and numStates.

Returns

rotations: a vector with the rotations used to reconstruct the symmetry-equivalent Bloch states.

Implements BaseBandStructure.

Here is the call graph for this function:

getRotationsStar() [2/2]

std::vector< Eigen::Matrix3d > FullBandStructure::getRotationsStar ( WavevectorIndex &  ikIndex )

overridevirtual

Parameters

ikIndex

Index of the irreducible wavevector. This index is a number between 0 and N_k_reducible.

Returns

rotations: a vector with the rotations used to reconstruct the symmetry-equivalent Bloch states.

Implements BaseBandStructure.

Here is the call graph for this function:

Here is the caller graph for this function:

getRotationToIrreducible()

std::tuple< int, Eigen::Matrix3d > FullBandStructure::getRotationToIrreducible ( const Eigen::Vector3d &  x, const int &  basis = Points::crystalCoordinates  )

overridevirtual

Parameters

x	point coordinates
basis	either Points::crystalCoordinates or Points::cartesianCoordinates, this will treat x in the appropriate coordinate. Also the returned rotation will be in the corresponding basis.

Returns

<ik,rot>: a tuple with the index of the irreducible point and the rotation matrix connecting the irreducible and reducible point.

Implements BaseBandStructure.

Here is the call graph for this function:

getVelocities()

Eigen::Tensor< std::complex< double >, 3 > FullBandStructure::getVelocities ( WavevectorIndex &  ik )

overridevirtual

Used for accessing the band structure in the BTE.

Parameters

wavevectorIndex

a WavevectorIndex(ik) object where 'ik' is an integer index running over the wavevectors in range [0,numPoints-1]

Returns

velocity: a tensor (numBands,numBands,3) with the velocity operator matrix elements, in cartesian basis and in atomic rydberg units.

Implements BaseBandStructure.

Here is the call graph for this function:

getWavevector() [1/2]

Eigen::Vector3d FullBandStructure::getWavevector ( StateIndex &  is )

overridevirtual

Parameters

stateIndex

a StateIndex(is) object where 'is' is an integer index in range [0,numStates-1].

Returns

wavevector: a 3d vector with the wavevector in cartesian coordinates in units of Bohr^-1.

Implements BaseBandStructure.

Here is the call graph for this function:

Here is the caller graph for this function:

getWavevector() [2/2]

Eigen::Vector3d FullBandStructure::getWavevector ( WavevectorIndex &  ik )

overridevirtual

Parameters

wavevectorIndex

a WavevectorIndex(ik) object where 'ik' is an integer index in range [0,numPoints-1].

Returns

wavevector: a 3d vector with the wavevector in cartesian coordinates in units of Bohr^-1.

Implements BaseBandStructure.

Here is the call graph for this function:

hasWindow()

int FullBandStructure::hasWindow ( )

overridevirtual

Returns

windowMethod: one of the values of Window::filterMethod. 0 for no filter.

Implements BaseBandStructure.

irrPointsIterator()

std::vector< int > FullBandStructure::irrPointsIterator ( )

overridevirtual

The iterator is serial, not parallelized with MPI.

Returns

k-indices: a std::vector<int> with the indices of the irreducible points.

Implements BaseBandStructure.

Here is the call graph for this function:

irrStateIterator()

std::vector< int > FullBandStructure::irrStateIterator ( )

overridevirtual

Returns

State-indices: a vector<int> with the indices over Bloch states stored in the band structure

Implements BaseBandStructure.

Here is the call graph for this function:

Here is the caller graph for this function:

parallelIrrPointsIterator()

std::vector< int > FullBandStructure::parallelIrrPointsIterator ( )

overridevirtual

The iterator is parallelized over MPI processes.

Returns

k-indices: a std::vector<int> with the indices of the irreducible points.

Implements BaseBandStructure.

Here is the call graph for this function:

parallelIrrStateIterator()

std::vector< int > FullBandStructure::parallelIrrStateIterator ( )

overridevirtual

Returns

State-indices: a vector<int> with the indices over Bloch states stored in the band structure

Implements BaseBandStructure.

Here is the call graph for this function:

setEigenvectors()

void FullBandStructure::setEigenvectors ( Point &  point, Eigen::MatrixXcd &  eigenvectors_  )

overridevirtual

Note that in this case, eigenvectors are passed as a matrix, which is the case e.g. for the Wannier interpolation, where the eigenvectors represent the unitary transformation matrix U for Wannier localization.

Parameters

point	a Point object with the coordinates of the wavevector, which should come from the same Point class stored in FullBandStructure
eigenvectors	a complex matrix of size (numBands,numBands)

Implements BaseBandStructure.

Here is the call graph for this function:

Here is the caller graph for this function:

setEnergies() [1/2]

void FullBandStructure::setEnergies	(	Eigen::Vector3d &	point,
		Eigen::VectorXd &	energies_
	)

Parameters

point	a vector of 3 crystal coordinates. The method will look for the wavevector index.
energies	a vector of size (numBands) with the quasiparticle energies

Here is the call graph for this function:

setEnergies() [2/2]

void FullBandStructure::setEnergies ( Point &  point, Eigen::VectorXd &  energies_  )

overridevirtual

Parameters

point	a point object, which also provides the wavevector index.
energies	a vector of size (numBands) with the quasiparticle energies

Implements BaseBandStructure.

Here is the call graph for this function:

Here is the caller graph for this function:

setVelocities()

void FullBandStructure::setVelocities ( Point &  point, Eigen::Tensor< std::complex< double >, 3 > &  velocities_  )

overridevirtual

Parameters

point	a Point object representing the wavevector where these velocities have been computed.
velocities	a rank-3 tensor of size (numBands,numBands,3) containing the matrix elements of the velocity operator. Diagonal elements are the quasiparticle group velocities.

Implements BaseBandStructure.

Here is the call graph for this function:

Here is the caller graph for this function:

stateToBte()

BteIndex FullBandStructure::stateToBte ( StateIndex &  isIndex )

overridevirtual

If a state is not mapped to the VectorBTE, throws an error.

Parameters

StateIndex

the index of the Bloch state in the band structure.

Returns

BteIndex: index of the Bloch state in the BTE

Implements BaseBandStructure.

Here is the call graph for this function: