Functions/Subroutines
subroutine, public	zeroth_order_gw (qs_env, aop_evects, evects, s_evects, gs_mos, matrix_s, matrix_ks)
	...

subroutine, public	tddfpt_apply_bse (aop_evects, evects, gs_mos, qs_env)
	Update action of TDDFPT operator on trial vectors by adding BSE W term.

Function/Subroutine Documentation

◆ zeroth_order_gw()

subroutine, public qs_tddfpt2_bse_utils::zeroth_order_gw	(	type(qs_environment_type), pointer	qs_env,
		type(cp_fm_type), dimension(:, :), intent(inout)	aop_evects,
		type(cp_fm_type), dimension(:, :), intent(in)	evects,
		type(cp_fm_type), dimension(:, :), intent(in)	s_evects,
		type(tddfpt_ground_state_mos), dimension(:), intent(in)	gs_mos,
		type(dbcsr_type), intent(in), pointer	matrix_s,
		type(dbcsr_p_type), dimension(:), intent(in)	matrix_ks
	)

...

Parameters

Definition at line 66 of file qs_tddfpt2_bse_utils.F.

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subroutine, public qs_tddfpt2_bse_utils::tddfpt_apply_bse	(	type(cp_fm_type), dimension(:, :), intent(inout)	aop_evects,
		type(cp_fm_type), dimension(:, :), intent(in)	evects,
		type(tddfpt_ground_state_mos), dimension(:), intent(in)	gs_mos,
		type(qs_environment_type), pointer	qs_env
	)

Update action of TDDFPT operator on trial vectors by adding BSE W term.

Parameters

Note: Based on the subroutine tddfpt_apply_hfx() which was originally created by Mohamed Fawzi on 10.2002.

Definition at line 199 of file qs_tddfpt2_bse_utils.F.

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