#include <DPropertyExtractor.h>

Public Member Functions
	DPropertyExtractor (DiagonalizationSolver *dSolver)

	~DPropertyExtractor ()

void	saveEigenValues (std::string path="./", std::string filename="EV.dat")

void	getTabulatedAmplitudeSet (std::complex< double > amplitudes, int indices, int numHoppingAmplitudes, int maxIndexSize)

Property::EigenValues *	getEigenValues ()

double	getEigenValue (int state)

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

Property::DOS *	calculateDOS (double l_lim, double u_lim, int resolution)

Property::Density *	calculateDensity (Index pattern, Index ranges)

Property::Magnetization *	calculateMagnetization (Index pattern, Index ranges)

Property::SpinPolarizedLDOS *	calculateSpinPolarizedLDOS (Index pattern, Index ranges, double l_lim, double u_lim, int resolution)

Detailed Description

The DPropertyExtractor extracts common physical properties such as DOS, Density, LDOS, etc. from a DiagonalizationSolver. These can then be written to file using the FileWriter.

Constructor & Destructor Documentation

TBTK::DPropertyExtractor::DPropertyExtractor ( DiagonalizationSolver * dSolver )

Constructor.

TBTK::DPropertyExtractor::~DPropertyExtractor ( )

Destructor.

Member Function Documentation

Property::Density * TBTK::DPropertyExtractor::calculateDensity	(	Index	pattern,
		Index	ranges
	)

Calculate density.

Parameters

pattern Specifies the index pattern for which to calculate the density. For example, assume that the index scheme is {x, y, z, spin}. {ID_X, 5, 10, IDX_SUM_ALL} will calculate the density for each x along (y,z)=(5,10) by summing over spin. Similarly {ID_X, 5, IDX_Y, IDX_SUM_ALL} will return a two dimensional density for all x and z and y = 5. Note that IDX_X IDX_Y, and IDX_Z refers to the first, second, and third index used by the routine to create a one-, two-, or three-dimensional output, rather than being tied to the x, y, and z used as physical subindices.

ranges Speifies the number of elements for each subindex. Is ignored for indices specified with positive integer in the pattern, but is used to loop from 0 to the value in ranges for IDX_X, IDX_Y, IDX_Z, and IDX_SUM_ALL. Appropriate ranges corresponding to the two pattern examples above are {SIZE_X, 1, 1, NUM_SPINS} and {SIZE_X, 1, SIZE_Z, NUM_SPINS}, respectively.

Returns: A density array with size equal to the number of points included by specified patter-range combination.

Property::DOS * TBTK::DPropertyExtractor::calculateDOS	(	double	l_lim,
		double	u_lim,
		int	resolution
	)

Calculate density of states.

Parameters

l_lim	Lower limit for energy interval.
u_lim	Upper limit for energy interval.
resolution	Number of points used between l_lim and u_lim.

Returns: An array with size resolution.

Property::Magnetization * TBTK::DPropertyExtractor::calculateMagnetization	(	Index	pattern,
		Index	ranges
	)

Calculate magnetization.

Parameters

pattern Specifies the index pattern for which to calculate the magnetization. For example, assume that the index scheme is {x, y, z, spin}. {ID_X, 5, 10, IDX_SPIN} will calculate the magnetization for each x along (y,z)=(5,10). Similarly {ID_X, 5, IDX_Y, IDX_SPIN} will return a two dimensional magnetiation for all x and z and y = 5. Note that IDX_X, IDX_Y, and IDX_Z refers to the first, second, and third index used by the routine to create a one-, two-, or three-dimensional output, rather than being tied to the x, y, and z used as physical subindices.

ranges Speifies the number of elements for each subindex. Is ignored for indices specified with positive integers in the pattern, but is used to loop from 0 to the value in ranges for IDX_X, IDX_Y, IDX_Z, and IDX_SUM_ALL. Appropriate ranges corresponding to the two pattern examples above are {SIZE_X, 1, 1, NUM_SPINS} and {SIZE_X, 1, SIZE_Z, NUM_SPINS}, respectively.

Returns: A magnetization array with size equal to four times the number of points included by specified patter-range combination. The four entries are
$\left[\begin{array}{cc} 0 & 1\\ 2 & 3 \end{array}\right] = \left[\begin{array}{cc} \langle c_{i\uparrow}^{\dagger}c_{i\uparrow}\rangle & \langle c_{i\uparrow}^{\dagger}c_{i\downarrow}\rangle\\ \langle c_{i\downarrow}^{\dagger}c_{u\uparrow}\rangle & \langle c_{i\downarrow}^{\dagger}c_{i\downarrow}\rangle \end{array}\right].$

Property::SpinPolarizedLDOS * TBTK::DPropertyExtractor::calculateSpinPolarizedLDOS	(	Index	pattern,
		Index	ranges,
		double	l_lim,
		double	u_lim,
		int	resolution
	)

Calculate spin-polarized local density of states.

Parameters

pattern Specifies the index pattern for which to calculate the spin-polarized LDOS. For example, assume that the index scheme is {x, y, z, spin}. {ID_X, 5, 10, IDX_SPIN} will calculate the spin-polarized LDOS for each x along (y,z)=(5,10). Similarly {ID_X, 5, IDX_Y, IDX_SPIN} will return a two dimensional spin-polarized LDOS for all x and z and y = 5. Note that IDX_X, IDX_Y, and IDX_Z refers to the first, second, and third index used by the routine to create a one-, two-, or three-dimensional output, rather than being tied to the x, y, and z used as physical subindices.

ranges Speifies the number of elements for each subindex. Is ignored for indices specified with positive integers in the pattern, but is used to loop from 0 to the value in ranges for IDX_X, IDX_Y, IDX_Z, and IDX_SUM_ALL. Appropriate ranges corresponding to the two pattern examples above are {SIZE_X, 1, 1, NUM_SPINS} and {SIZE_X, 1, SIZE_Z, NUM_SPINS}, respectively.

Returns

A spin-polarized LDOS array with size equal to four times the number of points included by specified patter-range combination. The four entries are

$\left[\begin{array}{cc} 0 & 1\\ 2 & 3 \end{array}\right] = \left[\begin{array}{cc} \rho_{i\uparrow i\uparrow}(E) & \rho_{i\uparrow i\downarrow}(E)\\ \rho_{i\downarrow i\uparrow}(E) & \rho_{i\downarrow i\downarrow}(E)\\ \end{array}\right],$

where

$\rho_{i\sigma i\sigma'}(E) = \sum_{E_n}\langle\Psi_n|c_{i\sigma}^{\dagger}c_{i\sigma'}|\Psi_n\rangle\delta(E - E_n) .$

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

inline

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

Parameters

state	Eigenstate number
index	Physical index .

double TBTK::DPropertyExtractor::getEigenValue ( int state )

inline

Get eigenvalue.

Property::EigenValues * TBTK::DPropertyExtractor::getEigenValues ( )

Get eigenvalues.

void TBTK::DPropertyExtractor::getTabulatedAmplitudeSet	(	std::complex< double > **	amplitudes,
		int **	indices,
		int *	numHoppingAmplitudes,
		int *	maxIndexSize
	)

Experimental. Extracts a tabulated version of the AmplitudeSet.

void TBTK::DPropertyExtractor::saveEigenValues	(	std::string	path = `"./"`,
		std::string	filename = `"EV.dat"`
	)

Legacy.

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

/home/kristofer/TBTK/TBTK/calc/TightBindingLib/include/DPropertyExtractor.h
/home/kristofer/TBTK/TBTK/calc/TightBindingLib/src/DPropertyExtractor.cpp

Public Member Functions

Detailed Description

Constructor & Destructor Documentation

Member Function Documentation