TBTK::PropertyExtractor::ArnoldiIterator Class Reference

Extracts physical properties from the Solver::ArnoldiIterator. More...

#include <ArnoldiIterator.h>

Inheritance diagram for TBTK::PropertyExtractor::ArnoldiIterator:

Public Member Functions
	ArnoldiIterator (Solver::ArnoldiIterator &solver)
Property::EigenValues	getEigenValues ()
double	getEigenValue (int state)
const std::complex< double >	getAmplitude (int state, const Index &index)
Property::WaveFunctions	calculateWaveFunctions (std::vector< Index > patterns, std::vector< Subindex > states)
virtual Property::DOS	calculateDOS ()
virtual Property::LDOS	calculateLDOS (Index pattern, Index ranges)
virtual Property::LDOS	calculateLDOS (std::vector< Index > patterns)
virtual Property::SpinPolarizedLDOS	calculateSpinPolarizedLDOS (Index pattern, Index ranges)
virtual Property::SpinPolarizedLDOS	calculateSpinPolarizedLDOS (std::vector< Index > patterns)
Public Member Functions inherited from TBTK::PropertyExtractor::PropertyExtractor
	PropertyExtractor ()
virtual	~PropertyExtractor ()
virtual void	setEnergyWindow (double lowerBound, double upperBound, int energyResolution)
virtual void	setEnergyWindow (int lowerFermionicMatsubaraEnergyIndex, int upperFermionicMatsubaraEnergyIndex, int lowerBosonicMatsubaraEnergyIndex, int upperBosonicMatsubaraEnergyIndex)
virtual void	setEnergyInfinitesimal (double energyInfinitesimal)
virtual Property::Density	calculateDensity (Index pattern, Index ranges)
virtual Property::Density	calculateDensity (std::vector< Index > patterns)
virtual Property::Magnetization	calculateMagnetization (Index pattern, Index ranges)
virtual Property::Magnetization	calculateMagnetization (std::vector< Index > patterns)
virtual std::complex< double >	calculateExpectationValue (Index to, Index from)
virtual Property::DOS	sampleDOS (unsigned int numSamples, const std::vector< Index > &patterns={}, unsigned int seed=time(nullptr))
virtual double	calculateEntropy ()

Additional Inherited Members
Protected Types inherited from TBTK::PropertyExtractor::PropertyExtractor
enum	EnergyType { Real, Matsubara }
Protected Member Functions inherited from TBTK::PropertyExtractor::PropertyExtractor
EnergyType	getEnergyType () const
int	getEnergyResolution () const
double	getLowerBound () const
double	getUpperBound () const
int	getLowerFermionicMatsubaraEnergyIndex () const
int	getUpperFermionicMatsubaraEnergyIndex () const
int	getLowerBosonicMatsubaraEnergyIndex () const
int	getUpperBosonicMatsubaraEnergyIndex () const
double	getEnergyInfinitesimal () const
template<typename DataType >
void	calculate (void(*callback)(PropertyExtractor *cb_this, Property::Property &property, const Index &index, int offset, Information &information), Property::AbstractProperty< DataType > &property, Index pattern, const Index &ranges, int currentOffset, int offsetMultiplier, Information &information)
template<typename DataType >
void	calculate (void(*callback)(PropertyExtractor *cb_this, Property::Property &property, const Index &index, int offset, Information &information), const IndexTree &allIndices, const IndexTree &memoryLayout, Property::AbstractProperty< DataType > &abstractProperty, Information &information)
void	ensureCompliantRanges (const Index &pattern, Index &ranges)
std::vector< int >	getLoopRanges (const Index &pattern, const Index &ranges)
IndexTree	generateIndexTree (std::vector< Index > patterns, const HoppingAmplitudeSet &hoppingAmplitudeSet, bool keepSummationWildcards, bool keepSpinWildcards)

Detailed Description

Extracts physical properties from the Solver::ArnoldiIterator.

The PropertyExtractor::ArnoldiIterator extracts Properties from the Solver::ArnoldiIterator.

Example

#include "TBTK/Model.h"
#include "TBTK/PropertyExtractor/ArnoldiIterator.h"
#include "TBTK/Smooth.h"
#include "TBTK/Solver/ArnoldiIterator.h"
#include "TBTK/Streams.h"
#include "TBTK/TBTK.h"
#include "TBTK/Visualization/MatPlotLib/Plotter.h"
 
#include <complex>
 
using namespace std;
using namespace TBTK;
using namespace Visualization::MatPlotLib;
 
complex<double> i(0, 1);
 
int main(){
    Initialize();
 
    Model model;
    for(unsigned int x = 0; x < 400; x++){
        model << HoppingAmplitude(-1, {x+1, 0}, {x, 0}) + HC;
        model << HoppingAmplitude(1, {x+1, 1}, {x, 1}) + HC;
        model << HoppingAmplitude(0.1*i, {x+1, 1}, {x, 0}) + HC;
    }
    model.construct();
 
    Solver::ArnoldiIterator solver;
    solver.setModel(model);
    solver.setMode(Solver::ArnoldiIterator::Mode::ShiftAndInvert);
    solver.setCentralValue(0.01);
    solver.setNumEigenValues(200);
    solver.setCalculateEigenVectors(true);
    solver.setNumLanczosVectors(400);
    solver.setMaxIterations(500);
    solver.run();
 
    const double LOWER_BOUND = -1;
    const double UPPER_BOUND = 1;
    const int RESOLUTION = 200;
    PropertyExtractor::ArnoldiIterator propertyExtractor(solver);
    propertyExtractor.setEnergyWindow(
        LOWER_BOUND,
        UPPER_BOUND,
        RESOLUTION
    );
 
    Plotter plotter;
    const double SMOOTHING_SIGMA = 0.02;
    const unsigned int SMOOTHING_WINDOW = 51;
 
    Property::DOS dos = propertyExtractor.calculateDOS();
    dos = Smooth::gaussian(dos, SMOOTHING_SIGMA, SMOOTHING_WINDOW);
    Streams::out << dos << "\n";
    plotter.plot(dos);
    plotter.save("figures/DOS.png");
 
    Property::LDOS ldos
        = propertyExtractor.calculateLDOS({{_a_, IDX_SUM_ALL}});
    ldos = Smooth::gaussian(ldos, SMOOTHING_SIGMA, SMOOTHING_WINDOW);
    Streams::out << ldos << "\n";
    plotter.clear();
    plotter.plot({_a_, IDX_SUM_ALL}, ldos);
    plotter.save("figures/LDOS.png");
}

Output

DOS
    Lower bound: -1 eV (-1 n.u.)
    Upper bound: 1 eV (1 n.u.)
    Resolution: 200
LDOS
    Number of sites: 401
    Lower bound: -1 eV (-1 n.u.)
    Upper bound: 1 eV (1 n.u.)
    Resolution: 200

Constructor & Destructor Documentation

ArnoldiIterator()

TBTK::PropertyExtractor::ArnoldiIterator::ArnoldiIterator

(

Solver::ArnoldiIterator &

solver

)

Constructs a PropertyExtractor::ArnoldiIterator.

Parameters

solver

Solver to use.

Member Function Documentation

calculateDOS()

virtual Property::DOS TBTK::PropertyExtractor::ArnoldiIterator::calculateDOS ( )

virtual

Calculate Green's function. Overrides PropertyExtractor::calculateDOS().

Reimplemented from TBTK::PropertyExtractor::PropertyExtractor.

calculateLDOS() [1/2]

virtual Property::LDOS TBTK::PropertyExtractor::ArnoldiIterator::calculateLDOS ( Index  pattern, Index  ranges  )

virtual

Overrides PropertyExtractor::calculateLDOS().

Reimplemented from TBTK::PropertyExtractor::PropertyExtractor.

calculateLDOS() [2/2]

virtual Property::LDOS TBTK::PropertyExtractor::ArnoldiIterator::calculateLDOS ( std::vector< Index >  patterns )

virtual

Overrides PropertyExtractor::calculateLDOS().

Reimplemented from TBTK::PropertyExtractor::PropertyExtractor.

calculateSpinPolarizedLDOS() [1/2]

virtual Property::SpinPolarizedLDOS TBTK::PropertyExtractor::ArnoldiIterator::calculateSpinPolarizedLDOS ( Index  pattern, Index  ranges  )

virtual

Overrides PropertyExtractor::calculateSpinPolarizedLDOS().

Reimplemented from TBTK::PropertyExtractor::PropertyExtractor.

calculateSpinPolarizedLDOS() [2/2]

virtual Property::SpinPolarizedLDOS TBTK::PropertyExtractor::ArnoldiIterator::calculateSpinPolarizedLDOS ( std::vector< Index >  patterns )

virtual

Overrides PropertyExtractor::calculateSpinPolarizedLDOS().

Reimplemented from TBTK::PropertyExtractor::PropertyExtractor.

calculateWaveFunctions()

Property::WaveFunctions TBTK::PropertyExtractor::ArnoldiIterator::calculateWaveFunctions	(	std::vector< Index >	patterns,
		std::vector< Subindex >	states
	)

Calculate wave function.

getAmplitude()

const std::complex< double > TBTK::PropertyExtractor::ArnoldiIterator::getAmplitude ( int  state, const Index &  index  )

inline

Get amplitude for given eigenvector \(n\) and physical index \(x\): \(\Psi_{n}(x)\).

Parameters

state	Eigenstate number \(n\)
index	Physical index \(x\).

getEigenValue()

double TBTK::PropertyExtractor::ArnoldiIterator::getEigenValue ( int  state )

inline

Get eigenvalue.

getEigenValues()

Property::EigenValues TBTK::PropertyExtractor::ArnoldiIterator::getEigenValues

(

)

Get eigenvalues.

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

• /TBTK/Lib/include/TBTK/PropertyExtractor/ArnoldiIterator.h