gce_methods.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Modules
module	gce_methods

Functions/Subroutines
subroutine, public	gce_methods::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	gce_methods::planar_counter_charge (rho_tot_gspace, pcc_env, auxbas_pw_pool)
	add the planar counter charge density to the total charge density