classical_modes_oct_m::classical_modes_t Type Reference

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

Detailed Description

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

The current use cases are:

• Phonons / Vibrations:

Here the eigenvectors are of dimension: dim = (dim_space * number of ions, num_modes). The eigenvectors are specified in cartesian coordinates for each ion.

• Cavity modes:

The eigenvectors are of the dimension: dim = (dim_space, num_modes)

Note

: Eigenvectors are in general not normalized, but might already contain some prefactors.

Definition at line 136 of file classical_modes.F90.

Inheritance diagram for classical_modes_oct_m::classical_modes_t:

Private Member Functions
procedure	end => classical_modes_end

Private Attributes
integer	num_modes
	number of modes, considered in the calculation More...
integer	dim
	dimension of the eigenvectors More...
real(real64), dimension(:), allocatable	frequencies
	frequencies in atomic units More...
real(real64), dimension(:,:), allocatable	eigenvectors
	dimension(1:dim, 1:num_modes) More...

Member Function/Subroutine Documentation

end()

procedure classical_modes_oct_m::classical_modes_t::end

private

Definition at line 147 of file classical_modes.F90.

Member Data Documentation

num_modes

integer classical_modes_oct_m::classical_modes_t::num_modes

private

number of modes, considered in the calculation

Definition at line 140 of file classical_modes.F90.

dim

integer classical_modes_oct_m::classical_modes_t::dim

private

dimension of the eigenvectors

Definition at line 141 of file classical_modes.F90.

frequencies

real(real64), dimension(:), allocatable classical_modes_oct_m::classical_modes_t::frequencies

private

frequencies in atomic units

Definition at line 142 of file classical_modes.F90.

eigenvectors

real(real64), dimension(:,:), allocatable classical_modes_oct_m::classical_modes_t::eigenvectors

private

dimension(1:dim, 1:num_modes)

Definition at line 143 of file classical_modes.F90.

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

• multi_trajectory/classical_modes.F90