vibrations.F90 File Reference

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Modules
module	vibrations_oct_m

Data Types
type	vibrations_oct_m::vibrations_t

Functions/Subroutines
subroutine, public	vibrations_oct_m::vibrations_init (this, space, natoms, mass, suffix, namespace)
subroutine, public	vibrations_oct_m::vibrations_end (this)
character(len=2) pure function, public	vibrations_oct_m::vibrations_get_suffix (this)
subroutine, public	vibrations_oct_m::vibrations_symmetrize_dyn_matrix (this)
	Symmetrize the dynamical matric, which is real symmetric matrix. More...
subroutine, public	vibrations_oct_m::vibrations_normalize_dyn_matrix (this)
real(real64) pure function, public	vibrations_oct_m::vibrations_norm_factor (this, iatom, jatom)
subroutine, public	vibrations_oct_m::vibrations_out_dyn_matrix_row (this, imat)
	Outputs one row of the dynamical matrix. More...
subroutine, public	vibrations_oct_m::vibrations_out_dyn_matrix_header (this)
subroutine, public	vibrations_oct_m::vibrations_diag_dyn_matrix (this)
	Diagonalize the dynamical matrix. More...
integer pure function, public	vibrations_oct_m::vibrations_get_index (this, iatom, idim)
integer pure function, public	vibrations_oct_m::vibrations_get_atom (this, index)
integer pure function, public	vibrations_oct_m::vibrations_get_dir (this, index)
subroutine, public	vibrations_oct_m::vibrations_output (this)
	Outputs the eigenvectors and eigenenergies of the dynamical matrix. More...