phonon_modes.F90 File Reference

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Modules
module	phonon_modes_oct_m
	This module provides a class for (classical) phonon modes.

Data Types
type	phonon_modes_oct_m::phonon_modes_t
	This class describes phonon modes, which are specified by their frequencies and eigenvectors. More...

Functions/Subroutines
subroutine	phonon_modes_oct_m::phonon_modes_init (this, namespace, dim_space, num_atoms, periodic, masses)
	Initialize the phonon modes. More...
subroutine	phonon_modes_oct_m::phonon_modes_get_displacements (this, imode, Q, P, pos_disp_flat, vel_disp_flat)
	get the displacements for a single mode and the respective generalized coordinates. More...
subroutine	phonon_modes_oct_m::phonon_modes_sample (this, temperature, seed, pos_displacements, vel_displacements)
	Sample initial ionic displacements and velocities from the Wigner distribution of the modes. More...
subroutine	phonon_modes_oct_m::next_data_line (iunit, line, filename, namespace, eof)
	Read the next line that is neither blank nor a # comment. More...
subroutine	phonon_modes_oct_m::phonon_modes_finalize (this)