Functions/Subroutines
subroutine, public	planar_averaged_v_hartree_3d (v_rspace, dft_control, do_gce, ref_esp, para_env)
	calculate the planar averaged real space potential (e.g. Hartree potential) along the surface normal of a slab model and the corresponding reference (electrostatic) energy near the simulation cell edge.
subroutine, public	planar_counter_charge (rho_tot_gspace, pcc_env, auxbas_pw_pool)
	add the planar counter charge density to the total charge density

Detailed Description

Author: Ziwei Chai

Date: 09.04.2026

Version: 1.0

Function/Subroutine Documentation

◆ planar_averaged_v_hartree_3d()

subroutine, public gce_methods::planar_averaged_v_hartree_3d	(	type(pw_r3d_rs_type), intent(in)	v_rspace,
		type(dft_control_type), pointer	dft_control,
		logical, intent(in)	do_gce,
		real(kind=dp), intent(inout)	ref_esp,
		type(mp_para_env_type), pointer	para_env )

calculate the planar averaged real space potential (e.g. Hartree potential) along the surface normal of a slab model and the corresponding reference (electrostatic) energy near the simulation cell edge.

Parameters

v_rspace	...
dft_control	...
do_gce	...
ref_esp	...
para_env	...

Author: Ziwei Chai

Definition at line 81 of file gce_methods.F.

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◆ planar_counter_charge()

subroutine, public gce_methods::planar_counter_charge	(	type(pw_c1d_gs_type), intent(inout)	rho_tot_gspace,
		type(pcc_control_type), pointer	pcc_env,
		type(pw_pool_type), intent(in), pointer	auxbas_pw_pool )

add the planar counter charge density to the total charge density