em_resp_oct_m Module Reference

Data Types
type	em_resp_t

Functions/Subroutines
subroutine, public	em_resp_run (system, from_scratch)
subroutine	em_resp_run_legacy (sys, fromScratch)
subroutine	em_resp_output (st, namespace, space, gr, hm, ions, outp, sh, em_vars, iomega, ifactor)
subroutine, public	out_hyperpolarizability (box, beta, freq_factor, converged, dirname, namespace)
	Ref: David M Bishop, Rev Mod Phys 62, 343 (1990) beta generalized to lack of Kleinman symmetry. More...

Variables
integer, parameter	perturbation_electric = 1
integer, parameter	perturbation_magnetic = 2
integer, parameter	perturbation_none = 0

Function/Subroutine Documentation

em_resp_run()

subroutine, public em_resp_oct_m::em_resp_run	(	class(*), intent(inout)	system,
		logical, intent(in)	from_scratch
	)

Definition at line 231 of file em_resp.F90.

em_resp_run_legacy()

subroutine em_resp_oct_m::em_resp_run_legacy ( type(electrons_t), intent(inout)  sys, logical, intent(in)  fromScratch  )

private

Definition at line 249 of file em_resp.F90.

em_resp_output()

subroutine em_resp_oct_m::em_resp_output ( type(states_elec_t), intent(inout)  st, type(namespace_t), intent(in)  namespace, class(space_t), intent(in)  space, type(grid_t), intent(in)  gr, type(hamiltonian_elec_t), intent(inout)  hm, type(ions_t), intent(in)  ions, type(output_t), intent(in)  outp, type(sternheimer_t), intent(in)  sh, type(em_resp_t), intent(inout)  em_vars, integer, intent(in)  iomega, integer, intent(in)  ifactor  )

private

Definition at line 2614 of file em_resp.F90.

out_hyperpolarizability()

subroutine, public em_resp_oct_m::out_hyperpolarizability	(	class(box_t), intent(in)	box,
		complex(real64), dimension(:, :, :), intent(in)	beta,
		real(real64), dimension(:), intent(in)	freq_factor,
		logical, intent(in)	converged,
		character(len=*), intent(in)	dirname,
		type(namespace_t), intent(in)	namespace
	)

Ref: David M Bishop, Rev Mod Phys 62, 343 (1990) beta generalized to lack of Kleinman symmetry.

Definition at line 3258 of file em_resp.F90.

Variable Documentation

perturbation_electric

integer, parameter em_resp_oct_m::perturbation_electric = 1

private

Definition at line 173 of file em_resp.F90.

perturbation_magnetic

integer, parameter em_resp_oct_m::perturbation_magnetic = 2

private

Definition at line 173 of file em_resp.F90.

perturbation_none

integer, parameter em_resp_oct_m::perturbation_none = 0

private

Definition at line 173 of file em_resp.F90.