Property container for the local density of states (LDOS). More...

#include <LDOS.h>

Inheritance diagram for TBTK::Property::LDOS:

Public Member Functions
	LDOS ()

	LDOS (const std::vector< int > &ranges, double lowerBound, double upperBound, int resolution)

	LDOS (const std::vector< int > &ranges, double lowerBound, double upperBound, int resolution, const double *data)

	LDOS (const IndexTree &indexTree, double lowerBound, double upperBound, int resolution)

	LDOS (const IndexTree &indexTree, double lowerBound, double upperBound, int resolution, const double *data)

	LDOS (const std::string &serialization, Mode mode)

LDOS &	operator+= (const LDOS &rhs)

LDOS	operator+ (const LDOS &rhs) const

LDOS &	operator-= (const LDOS &rhs)

LDOS	operator- (const LDOS &rhs) const

LDOS &	operator*= (const double &rhs)

LDOS	operator* (const double &rhs) const

LDOS &	operator/= (const double &rhs)

LDOS	operator/ (const double &rhs) const

virtual std::string	toString () const

virtual std::string	serialize (Mode mode) const

Public Member Functions inherited from TBTK::Property::EnergyResolvedProperty< double >
	EnergyResolvedProperty ()

	EnergyResolvedProperty (double lowerBound, double upperBound, unsigned int resolution)

	EnergyResolvedProperty (double lowerBound, double upperBound, unsigned int resolution, const double *data)

	EnergyResolvedProperty (const std::vector< int > &ranges, double lowerBound, double upperBound, unsigned int resolution)

	EnergyResolvedProperty (const std::vector< int > &ranges, double lowerBound, double upperBound, unsigned int resolution, const double *data)

	EnergyResolvedProperty (const IndexTree &indexTree, double lowerBound, double upperBound, unsigned int resolution)

	EnergyResolvedProperty (const IndexTree &indexTree, double lowerBound, double upperBound, unsigned int resolution, const double *data)

	EnergyResolvedProperty (EnergyType energyType, const IndexTree &indexTree, int lowerMatsubaraEnergyIndex, int upperMatsubaraEnergtIndex, double fundamentalMatsubaraEnergy)

	EnergyResolvedProperty (EnergyType energyType, const IndexTree &indexTree, int lowerMatsubaraEnergyIndex, int upperMatsubaraEnergtIndex, double fundamentalMatsubaraEnergy, const double *data)

	EnergyResolvedProperty (const std::string &serialization, Serializable::Mode mode)

EnergyType	getEnergyType () const

double	getLowerBound () const

double	getUpperBound () const

unsigned int	getResolution () const

double	getDeltaE () const

double	getEnergy (unsigned int n) const

int	getLowerMatsubaraEnergyIndex () const

int	getUpperMatsubaraEnergyIndex () const

unsigned int	getNumMatsubaraEnergies () const

double	getFundamentalMatsubaraEnergy () const

double	getLowerMatsubaraEnergy () const

double	getUpperMatsubaraEnergy () const

std::complex< double >	getMatsubaraEnergy (unsigned int n) const

unsigned int	getNumEnergies () const

bool	energyWindowsAreEqual (const EnergyResolvedProperty &energyResolvedProperty, double precision=1e-1) const

Public Member Functions inherited from TBTK::Property::AbstractProperty< double >
unsigned int	getBlockSize () const

unsigned int	getSize () const

const std::vector< double > &	getData () const

std::vector< double > &	getDataRW ()

unsigned int	getDimensions () const

std::vector< int >	getRanges () const

int	getOffset (const Index &index) const

const IndexDescriptor &	getIndexDescriptor () const

bool	contains (const Index &index) const

void	reduce (const std::vector< Index > &targetPatterns, const std::vector< Index > &newPatterns)

void	hermitianConjugate ()

std::vector< SparseMatrix< double > >	toSparseMatrices (const Model &model) const

virtual const double &	operator() (const Index &index, unsigned int offset=0) const

virtual double &	operator() (const Index &index, unsigned int offset=0)

double &	operator() (const std::initializer_list< Subindex > &index)

const double &	operator() (const std::initializer_list< Subindex > &index) const

virtual const double &	operator() (unsigned int offset) const

virtual double &	operator() (unsigned int offset)

void	setAllowIndexOutOfBoundsAccess (bool allowIndexOutOfBoundsAccess)

void	setDefaultValue (const double &defaultValue)

void	replaceValues (const double &targetValue, const double &replacementValue)

virtual std::string	toString () const

Public Member Functions inherited from TBTK::Serializable
template<>
std::string	serialize (const bool &data, Mode mode)

template<>
std::string	serialize (const double &data, Mode mode)

template<>
std::string	serialize (const std::complex< double > &data, Mode mode)

template<>
std::string	serialize (const int &data, Mode mode)

template<>
std::string	serialize (const unsigned int &data, Mode mode)

template<>
std::string	serialize (const SpinMatrix &data, Mode mode)

template<>
std::string	serialize (const Statistics &data, Mode mode)

template<>
std::string	serialize (const std::vector< std::complex< double >> &data, Mode mode)

template<>
int	deserialize (const std::string &serialization, Mode mode)

Friends
LDOS	operator* (const double &lhs, const LDOS &rhs)

Additional Inherited Members
Public Types inherited from TBTK::Property::EnergyResolvedProperty< double >
enum	EnergyType

Public Types inherited from TBTK::Serializable
enum	Mode { Debug, Binary, XML, JSON }

Static Public Member Functions inherited from TBTK::Serializable
static bool	hasID (const std::string &serialization, Mode mode)

static std::string	getID (const std::string &serialization, Mode mode)

static std::string	extractComponent (const std::string &serialization, const std::string &containerID, const std::string &componentID, const std::string &componentName, Mode mode)

Protected Member Functions inherited from TBTK::Property::EnergyResolvedProperty< double >
EnergyResolvedProperty &	operator+= (const EnergyResolvedProperty &rhs)

EnergyResolvedProperty &	operator-= (const EnergyResolvedProperty &rhs)

EnergyResolvedProperty &	operator*= (const double &rhs)

EnergyResolvedProperty &	operator/= (const double &rhs)

Protected Member Functions inherited from TBTK::Property::AbstractProperty< double >
	AbstractProperty ()

	AbstractProperty (unsigned int blockSize)

	AbstractProperty (unsigned int blockSize, const double *data)

	AbstractProperty (const std::vector< int > &ranges, unsigned int blockSize)

	AbstractProperty (const std::vector< int > &ranges, unsigned int blockSize, const double *data)

	AbstractProperty (const IndexTree &indexTree, unsigned int blockSize)

	AbstractProperty (const IndexTree &indexTree, unsigned int blockSize, const double *data)

	AbstractProperty (const AbstractProperty &abstractProperty)

	AbstractProperty (AbstractProperty &&abstractProperty)

	AbstractProperty (const std::string &serialization, Mode mode)

virtual	~AbstractProperty ()

AbstractProperty &	operator= (const AbstractProperty &abstractProperty)

AbstractProperty &	operator= (AbstractProperty &&abstractProperty)

AbstractProperty &	operator+= (const AbstractProperty &rhs)

AbstractProperty &	operator-= (const AbstractProperty &rhs)

AbstractProperty &	operator*= (const double &rhs)

AbstractProperty &	operator/= (const double &rhs)

Protected Member Functions inherited from TBTK::Property::Property
	Property ()

virtual	~Property ()

Static Protected Member Functions inherited from TBTK::Serializable
static bool	validate (const std::string &serialization, const std::string &id, Mode mode)

static std::string	getContent (const std::string &serialization, Mode mode)

static std::vector< std::string >	split (const std::string &content, Mode mode)

template<typename DataType >
static std::enable_if<!std::is_pointer< DataType >::value, std::string >::type	serialize (const DataType &data, Mode mode)

template<typename DataType >
static std::enable_if< std::is_pointer< DataType >::value, std::string >::type	serialize (const DataType &data, Mode mode)

template<typename DataType >
static DataType	deserialize (const std::string &serialization, Mode mode)

static std::string	extract (const std::string &serialization, Mode mode, std::string component)

Detailed Description

Property container for the local density of states (LDOS).

The LDOS is an EnergyResolvedProperty with DataType double.

Convention

LDOS extracted by native PropertyExtractors satisfies the following convention.

The LDOS is normalized such that, if it covers the full energy range, it integrates to one for any given Index. \(\sum_n LDOS(n)\Delta E = 1\).

Example

#include "TBTK/Models/SquareLattice.h"
#include "TBTK/Property/LDOS.h"
#include "TBTK/PropertyExtractor/Diagonalizer.h"
#include "TBTK/Smooth.h"
#include "TBTK/Solver/Diagonalizer.h"
#include "TBTK/Streams.h"
#include "TBTK/TBTK.h"
#include "TBTK/Visualization/MatPlotLib/Plotter.h"
 
using namespace TBTK;
using namespace Visualization::MatPlotLib;
 
int main(){
    Initialize();
 
    const unsigned int SIZE_X = 40;
    const unsigned int SIZE_Y = 40;
    double t = 1;
    Model model = Models::SquareLattice({SIZE_X, SIZE_Y}, {0, t});
    model.construct();
 
    Solver::Diagonalizer solver;
    solver.setModel(model);
    solver.run();
 
    const double LOWER_BOUND = -5;
    const double UPPER_BOUND = 5;
    const unsigned int RESOLUTION = 100;
    PropertyExtractor::Diagonalizer propertyExtractor(solver);
    propertyExtractor.setEnergyWindow(
        LOWER_BOUND,
        UPPER_BOUND,
        RESOLUTION
    );
 
    Property::LDOS ldos = propertyExtractor.calculateLDOS({{_a_, _a_}});
 
    Streams::out << ldos << "\n";
    Streams::out << "ldos({20, 20}, 50) = " << ldos({20, 20}, 50) << "\n";
 
    double integratedLDOS = 0;
    double dE = ldos.getDeltaE();
    for(unsigned int n = 0; n < ldos.getResolution(); n++)
        integratedLDOS += ldos({20, 20}, n)*dE;
    Streams::out << "Integrated LDOS: " << integratedLDOS << "\n";
 
    const double SMOOTHING_SIGMA = 0.2;
    const unsigned int SMOOTHING_WINDOW = 51;
    ldos = Smooth::gaussian(ldos, SMOOTHING_SIGMA, SMOOTHING_WINDOW);
 
    Plotter plotter;
    plotter.plot({_a_, 20}, ldos);
    plotter.save("figures/LDOS0.png");
 
    plotter.clear();
    plotter.plot({20, 20}, ldos);
    plotter.save("figures/LDOS1.png");
}

Output

LDOS
    Number of sites: 1600
    Lower bound: -5 eV (-5 n.u.)
    Upper bound: 5 eV (5 n.u.)
    Resolution: 100
ldos({20, 20}, 50) = 0.338382
Integrated LDOS: 1

Constructor & Destructor Documentation

◆ LDOS() [1/6]

TBTK::Property::LDOS::LDOS ( )

inline

Constructs an uninitialized LDOS.

◆ LDOS() [2/6]

TBTK::Property::LDOS::LDOS	(	const std::vector< int > &	ranges,
		double	lowerBound,
		double	upperBound,
		int	resolution
	)

Constructs LDOS on the Ranges format. [See AbstractProperty for detailed information about the Ranges format.]

Parameters

ranges	The upper limit (exclusive) for the corresponding dimensions.
lowerBound	Lower bound for the energy.
upperBound	Upper bound for the energy
resolution	Number of points to use for the energy.

◆ LDOS() [3/6]

TBTK::Property::LDOS::LDOS	(	const std::vector< int > &	ranges,
		double	lowerBound,
		double	upperBound,
		int	resolution,
		const double *	data
	)

Constructs LDOS on the Ranges format and initializes it with data. [See AbstractProperty for detailed information about the Ranges format and the raw data format.]

Parameters

ranges	The upper limit (exclusive) for the corresponding dimensions.
lowerBound	Lower bound for the energy.
upperBound	Upper bound for the energy
resolution	Number of points to use for the energy.
data	Raw data to initialize the LDOS with.

◆ LDOS() [4/6]

TBTK::Property::LDOS::LDOS	(	const IndexTree &	indexTree,
		double	lowerBound,
		double	upperBound,
		int	resolution
	)

Constructs LDOS on the Custom format. [See AbstractProperty for detailed information about the Custom format.]

Parameters

indexTree	IndexTree containing the Indices for which the LDOS should be contained.
lowerBound	Lower bound for the energy.
upperBound	Upper bound for the energy
resolution	Number of points to use for the energy.

◆ LDOS() [5/6]

TBTK::Property::LDOS::LDOS	(	const IndexTree &	indexTree,
		double	lowerBound,
		double	upperBound,
		int	resolution,
		const double *	data
	)

Constructs LDOS on the Custom format and initializes it with data. [See AbstractProperty for detailed information about the Custom format and the raw data format.]

Parameters

indexTree	IndexTree containing the Indices for which the LDOS should be contained.
lowerBound	Lower bound for the energy.
upperBound	Upper bound for the energy
resolution	Number of points to use for the energy.
data	Raw data to initialize the LDOS with.

◆ LDOS() [6/6]

TBTK::Property::LDOS::LDOS	(	const std::string &	serialization,
		Mode	mode
	)

Constructor. Construct the LDOS from a serialization string.

Parameters

serialization	Serialization string from which to construct the LDOS.
mode	Mode with which the string has been serialized.

Member Function Documentation

◆ operator*()

LDOS TBTK::Property::LDOS::operator* ( const double & rhs ) const

inline

Multiplication operator.

Parameters

rhs	The right hand side of the equation.

Returns: A new LDOS that is product of this LDOS and the right hand side.

◆ operator*=()

LDOS & TBTK::Property::LDOS::operator*= ( const double & rhs )

inline

Overrides EnergyResolvedProperty::operator*=().

◆ operator+()

LDOS TBTK::Property::LDOS::operator+ ( const LDOS & rhs ) const

inline

Addition operator.

Parameters

rhs	The right hand side of the equation.

Returns: A new LDOS that is the sum of this LDOS and the right hand side.

◆ operator+=()

LDOS & TBTK::Property::LDOS::operator+= ( const LDOS & rhs )

inline

Overrides EnergyResolvedProperty::operator+=().

◆ operator-()

LDOS TBTK::Property::LDOS::operator- ( const LDOS & rhs ) const

inline

Subtraction operator.

Parameters

rhs	The right hand side of the equation.

Returns: A new LDOS that is the difference between this LDOS and the right hand side.

◆ operator-=()

LDOS & TBTK::Property::LDOS::operator-= ( const LDOS & rhs )

inline

Overrides EnergyResolvedProperty::operator-=().

◆ operator/()

LDOS TBTK::Property::LDOS::operator/ ( const double & rhs ) const

inline

Division operator.

Parameters

rhs	The right hand side of the equation.

Returns: A new LDOS that is quotient between this LDOS and the right hand side.

◆ operator/=()

LDOS & TBTK::Property::LDOS::operator/= ( const double & rhs )

inline

Overrides EnergyResolvedProperty::operator/=().

◆ serialize()

virtual std::string TBTK::Property::LDOS::serialize ( Mode mode ) const

virtual

Overrides AbstractProperty::serialize().

Reimplemented from TBTK::Property::EnergyResolvedProperty< double >.

◆ toString()

virtual std::string TBTK::Property::LDOS::toString ( ) const

virtual

Implements Streamable::toString().

Implements TBTK::Streamable.

Friends And Related Function Documentation

◆ operator*

LDOS operator*	(	const double &	lhs,
		const LDOS &	rhs
	)

friend

Multiplication operator.

Parameters

rhs	The right hand side of the equation.

Returns: A new LDOS that is product of the left hand side and the LDOS.

The documentation for this class was generated from the following file:

/TBTK/Lib/include/TBTK/Property/LDOS.h

Public Member Functions

Friends

Additional Inherited Members

Detailed Description

Convention

Example

Output

Constructor & Destructor Documentation

◆ LDOS() [1/6]

◆ LDOS() [2/6]

◆ LDOS() [3/6]

◆ LDOS() [4/6]

◆ LDOS() [5/6]

◆ LDOS() [6/6]

Member Function Documentation

◆ operator*()

◆ operator*=()

◆ operator+()

◆ operator+=()

◆ operator-()

◆ operator-=()

◆ operator/()

◆ operator/=()

◆ serialize()

◆ toString()

Friends And Related Function Documentation

◆ operator*