phonon_modes_oct_m::phonon_modes_t Type Reference

This class describes phonon modes, which are specified by their frequencies and eigenvectors. More...

Detailed Description

This class describes phonon modes, which are specified by their frequencies and eigenvectors.

Note

Octopus will in general run the supercell, and has no information about the underlying primitive cell. The eigenvectors are given for all atoms in the supercell.

Definition at line 130 of file phonon_modes.F90.

Inheritance diagram for phonon_modes_oct_m::phonon_modes_t:

Private Member Functions
procedure	init => phonon_modes_init
	Initialize the phonon modes. More...
final	phonon_modes_finalize

Private Attributes
real(real64), dimension(:), allocatable	alpha
	2 for modes from region A, 1 for modes from region B More...
integer	num_super
	number of primitive cells in the supercell (N_p) More...

Member Function/Subroutine Documentation

init()

procedure phonon_modes_oct_m::phonon_modes_t::init

private

Initialize the phonon modes.

Read information from a file

Definition at line 137 of file phonon_modes.F90.

phonon_modes_finalize()

final phonon_modes_oct_m::phonon_modes_t::phonon_modes_finalize

finalprivate

Definition at line 138 of file phonon_modes.F90.

Member Data Documentation

alpha

real(real64), dimension(:), allocatable phonon_modes_oct_m::phonon_modes_t::alpha

private

2 for modes from region A, 1 for modes from region B

Definition at line 132 of file phonon_modes.F90.

num_super

integer phonon_modes_oct_m::phonon_modes_t::num_super

private

number of primitive cells in the supercell (N_p)

Definition at line 133 of file phonon_modes.F90.

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

• multi_trajectory/phonon_modes.F90