processes.cpp File Reference

Definitions corresponding to processes.hpp. More...

#include <cmath>
#include <complex>
#include <constants.hpp>
#include <periodic_table.hpp>
#include <utilities.hpp>
#include <processes.hpp>

Include dependency graph for processes.cpp:

Functions
std::vector< Threeph_process >	alma::find_allowed_threeph (const Gamma_grid &grid, const boost::mpi::communicator &communicator, double scalebroad=1.0)
	Look for allowed three-phonon processes in a regular grid. More...
Eigen::ArrayXXd	alma::calc_w0_threeph (const alma::Gamma_grid &grid, std::vector< alma::Threeph_process > &processes, double T, const boost::mpi::communicator &comm)
	Compute and store the three-phonon contribution to the RTA scattering rates for all vibrational modes on a grid. More...
Eigen::ArrayXXd	alma::calc_w0_threeph (const alma::Gamma_grid &grid, std::vector< alma::Threeph_process > &processes, double T, std::function< bool(const Threeph_process &)> filter, const boost::mpi::communicator &comm)
	Compute and store the three-phonon contribution to the RTA scattering rates for all vibrational modes on a grid. More...

Detailed Description

Definitions corresponding to processes.hpp.

Function Documentation

calc_w0_threeph() [1/2]

Eigen::ArrayXXd alma::calc_w0_threeph	(	const alma::Gamma_grid &	grid,
		std::vector< alma::Threeph_process > &	processes,
		double	T,
		const boost::mpi::communicator &	comm
	)

Compute and store the three-phonon contribution to the RTA scattering rates for all vibrational modes on a grid.

Parameters

[in]	grid	- phonon spectrum on a regular grid
[in]	processes	- a vector of allowed three-phonon processes
[in]	T	- the temperature in K
[in]	comm	- an mpi communicator

calc_w0_threeph() [2/2]

Eigen::ArrayXXd alma::calc_w0_threeph	(	const alma::Gamma_grid &	grid,
		std::vector< alma::Threeph_process > &	processes,
		double	T,
		std::function< bool(const Threeph_process &)>	filter,
		const boost::mpi::communicator &	comm
	)

Compute and store the three-phonon contribution to the RTA scattering rates for all vibrational modes on a grid.

Take into account only those processes fullfilling a criterion.

Parameters

[in]	grid	- phonon spectrum on a regular grid
[in]	processes	- a vector of allowed three-phonon processes
[in]	T	- the temperature in K
[in]	filter	- boolean function returning true if a process must be taken into account
[in]	comm	- an mpi communicator

find_allowed_threeph()

std::vector< Threeph_process > alma::find_allowed_threeph	(	const Gamma_grid &	grid,
		const boost::mpi::communicator &	communicator,
		double	scalebroad = 1.0
	)

Look for allowed three-phonon processes in a regular grid.

Iterate over part of the irreducible q points in the grid (trying to evenly split the equivalence classes over processes) and look for allowed three-phonon processes involving one phonon from that part and two other phonons from anywhere in the grid.

Parameters

[in]	grid	- a regular grid containing Gamma
[in]	communicator	- MPI communicator to use
[in]	scalebroad	- factor modulating all the broadenings

Returns

a vector of Threeph_process objects