Phonon related functions and classes

In sisl phonon calculations are relying on routines specific for phonons. For instance density of states calculations from phonon eigenvalues and other quantities.

This module implements the necessary tools required for calculating DOS, PDOS, group-velocities and real-space displacements.

DOS(E, hw[, distribution])	Calculate the density of modes (DOS) for a set of energies, E, with a distribution function
PDOS(E, mode, hw[, distribution])	Calculate the projected density of modes (PDOS) onto each each atom and direction for a set of energies, E, with a distribution function
velocity(mode, hw, dDk[, degenerate])	Calculate the velocity of a set of modes
displacement(mode, hw, mass)	Calculate the real-space displacements for a given mode (in units of the characteristic length)

Supporting classes

Certain classes aid in the usage of the above methods by implementing them using automatic arguments.

CoefficientPhonon(c[, parent])	Coefficients describing some physical quantity related to phonons
ModePhonon(state[, parent])	A mode describing a physical quantity related to phonons
ModeCPhonon(state, c[, parent])	A mode describing a physical quantity related to phonons, with associated coefficients of the mode
EigenvaluePhonon(c[, parent])	Eigenvalues of phonon modes, no eigenmodes retained
EigenvectorPhonon(state[, parent])	Eigenvectors of phonon modes, no eigenvalues retained
EigenmodePhonon(state, c[, parent])	Eigenmodes of phonons with eigenvectors and eigenvalues.