Routines to calculate image charge corrections. More...

Functions/Subroutines
subroutine, public	calculate_ic_correction (eigenval, mat_sinvvsinv, t_3c_overl_nnp_ic, t_3c_overl_nnp_ic_reflected, gw_corr_lev_tot, gw_corr_lev_occ, gw_corr_lev_virt, homo, unit_nr, print_ic_values, para_env, do_alpha, do_beta)
	...

subroutine, public	apply_ic_corr (eigenval, eigenval_scf, ic_corr_list, gw_corr_lev_occ, gw_corr_lev_virt, gw_corr_lev_tot, homo, nmo, unit_nr, do_alpha, do_beta)
	...

Detailed Description

Routines to calculate image charge corrections.

Function/Subroutine Documentation

subroutine, public rpa_gw_ic::calculate_ic_correction	(	real(kind=dp), dimension(:), intent(inout)	eigenval,
		type(dbcsr_type), intent(in), target	mat_sinvvsinv,
		type(dbt_type)	t_3c_overl_nnp_ic,
		type(dbt_type)	t_3c_overl_nnp_ic_reflected,
		integer, intent(in)	gw_corr_lev_tot,
		integer, intent(in)	gw_corr_lev_occ,
		integer, intent(in)	gw_corr_lev_virt,
		integer, intent(in)	homo,
		integer, intent(in)	unit_nr,
		logical, intent(in)	print_ic_values,
		type(mp_para_env_type), intent(in)	para_env,
		logical, intent(in), optional	do_alpha,
		logical, intent(in), optional	do_beta
	)

...

Parameters

Definition at line 53 of file rpa_gw_ic.F.

Here is the call graph for this function:

subroutine, public rpa_gw_ic::apply_ic_corr	(	real(kind=dp), dimension(:), intent(inout)	eigenval,
		real(kind=dp), dimension(:), intent(inout)	eigenval_scf,
		real(kind=dp), dimension(:), intent(in)	ic_corr_list,
		integer, intent(in)	gw_corr_lev_occ,
		integer, intent(in)	gw_corr_lev_virt,
		integer, intent(in)	gw_corr_lev_tot,
		integer, intent(in)	homo,
		integer, intent(in)	nmo,
		integer, intent(in)	unit_nr,
		logical, intent(in), optional	do_alpha,
		logical, intent(in), optional	do_beta
	)

...

Parameters

Definition at line 301 of file rpa_gw_ic.F.

Here is the caller graph for this function: