Octopus
phonons_fd_oct_m Module Reference

Functions/Subroutines

subroutine, public phonons_run (system)
 
subroutine phonons_run_legacy (sys)
 
subroutine get_dyn_matrix (gr, namespace, mc, ions, ext_partners, st, ks, hm, outp, vib, space)
 Computes the second-order force constant from finite differences. More...
 

Function/Subroutine Documentation

◆ phonons_run()

subroutine, public phonons_fd_oct_m::phonons_run ( class(*), intent(inout)  system)

Definition at line 153 of file phonons_fd.F90.

◆ phonons_run_legacy()

subroutine phonons_fd_oct_m::phonons_run_legacy ( type(electrons_t), intent(inout)  sys)
private

Definition at line 170 of file phonons_fd.F90.

◆ get_dyn_matrix()

subroutine phonons_fd_oct_m::get_dyn_matrix ( type(grid_t), intent(inout), target  gr,
type(namespace_t), intent(in)  namespace,
type(multicomm_t), intent(in)  mc,
type(ions_t), intent(inout)  ions,
type(partner_list_t), intent(in)  ext_partners,
type(states_elec_t), intent(inout)  st,
type(v_ks_t), intent(inout)  ks,
type(hamiltonian_elec_t), intent(inout)  hm,
type(output_t), intent(in)  outp,
type(vibrations_t), intent(inout)  vib,
type(electron_space_t), intent(in)  space 
)
private

Computes the second-order force constant from finite differences.

Definition at line 239 of file phonons_fd.F90.