alma::Gaussian_for_DOS Class Reference

Objects of this class handle the contribution of a mode to the phonon DOS. More...

#include <dos.hpp>

Public Member Functions
	Gaussian_for_DOS (const Gamma_grid &grid, std::size_t iq, std::size_t im, double scalebroad)
	Constructor. More...
double	get_contribution (double omega) const
	Get the amplitude of this contribution at a given frequency. More...

Public Attributes
const double	mu
	Average energy.
const double	sigma
	Standard deviation.
const bool	truncated
	True if the usual lower bound would be negative.
const double	lbound
	Lower bound to the values that can be considered compatible with the average energy. More...
const double	ubound
	Upper bound to the values that can be considered compatible with the average energy. More...

Detailed Description

Objects of this class handle the contribution of a mode to the phonon DOS.

We use an adaptive Gaussian smearing algorithm to broaden the isolated modes.

Constructor & Destructor Documentation

Gaussian_for_DOS()

alma::Gaussian_for_DOS::Gaussian_for_DOS ( const Gamma_grid &  grid, std::size_t  iq, std::size_t  im, double  scalebroad  )

inline

Constructor.

Parameters

[in]	grid	- phonon spectrum on a regular grid
[in]	iq	- q point index
[in]	im	- branch index
[in]	scalebroad	- prefactor for the standard deviation.

Member Function Documentation

get_contribution()

double alma::Gaussian_for_DOS::get_contribution ( double  omega ) const

inline

Get the amplitude of this contribution at a given frequency.

Parameters

[in]

omega

- an angular frequency in rad / ps

Returns

the value of the Gaussian, normalized to 1 with respect to integration over omega.

Member Data Documentation

lbound

const double alma::Gaussian_for_DOS::lbound

Lower bound to the values that can be considered compatible with the average energy.

ubound

const double alma::Gaussian_for_DOS::ubound

Upper bound to the values that can be considered compatible with the average energy.

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

• dos.hpp