alma::Green1d_factory Class Reference

Objects of this class enable the calling code to compute 1d Green's functions along particular directions in a bulk material. More...

#include <green1d.hpp>

Public Member Functions
	Green1d_factory (const Crystal_structure &structure, const Eigen::Ref< const Eigen::VectorXd > &q0, const Eigen::Ref< const Eigen::VectorXi > &normal, const std::size_t nqpoints_, const Dynamical_matrix_builder &builder)
	Basic constructor. More...
Eigen::MatrixXcd	build (double omega, std::size_t ncells) const
	Obtain the Green's function for a particular angular frequency. More...
double	calc_w0_dmass (double q, double omega, const Eigen::Ref< const Eigen::VectorXcd > &wfin, const Eigen::Ref< const Eigen::VectorXd > &factors) const
	Obtain the scattering rate caused by a diagonal perturbation proportional to the frequency squared. More...

Public Attributes
const std::size_t	nqpoints
	Number of q points in the grid.
const std::size_t	ndof
	Number of degrees of freedom in the unit cell.

Detailed Description

Objects of this class enable the calling code to compute 1d Green's functions along particular directions in a bulk material.

Constructor & Destructor Documentation

Green1d_factory()

alma::Green1d_factory::Green1d_factory	(	const Crystal_structure &	structure,
		const Eigen::Ref< const Eigen::VectorXd > &	q0,
		const Eigen::Ref< const Eigen::VectorXi > &	normal,
		const std::size_t	nqpoints_,
		const Dynamical_matrix_builder &	builder
	)

Basic constructor.

Parameters

[in]	structure	- description of the crystal lattice
[in]	q0	- starting point in reciprocal space, in Cartesian coordinates
[in]	normal	- direction of the path in reciprocal space, expressed in direct coordinates (only integers are allowed)
[in]	nqpoints_	- number of divisions of the segment
[in]	builder	- factory of dynamical matrices

Member Function Documentation

build()

Eigen::MatrixXcd alma::Green1d_factory::build	(	double	omega,
		std::size_t	ncells
	)		const

Obtain the Green's function for a particular angular frequency.

Parameters

[in]	omega	- angular frequency [rad / ps]
[in]	ncells	- number of unit cells to include in the supercell

Returns

the Green's function matrix

calc_w0_dmass()

double alma::Green1d_factory::calc_w0_dmass	(	double	q,
		double	omega,
		const Eigen::Ref< const Eigen::VectorXcd > &	wfin,
		const Eigen::Ref< const Eigen::VectorXd > &	factors
	)		const

Obtain the scattering rate caused by a diagonal perturbation proportional to the frequency squared.

Parameters

[in]	q	- wave number of the incident phonon, as a number between 0 and 2 * pi
[in]	omega	- frequency of the incident phonon [rad / ps]
[in]	wfin	- wave function of the incident phonon over a single unit cell
[in]	factors	- coefficient of omega ** 2 for each atom

Returns

a scattering rate in ps^{-1}

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

• green1d.hpp
• green1d.cpp