qs_ks_reference.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Modules
module	qs_ks_reference
	Calculate the KS reference potentials.

Functions/Subroutines
subroutine, public	qs_ks_reference::ks_ref_potential (qs_env, vh_rspace, vxc_rspace, vtau_rspace, vadmm_rspace, ehartree, exc, h_stress)
	calculate the Kohn-Sham reference potential
subroutine, public	qs_ks_reference::ks_ref_potential_atom (qs_env, local_rho_set, local_rho_set_admm, v_hartree_rspace)
	calculate the Kohn-Sham GAPW reference potentials