qs_vxc.F File Reference

#include "./base/base_uses.f90"

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Modules
module	qs_vxc

Functions/Subroutines
subroutine, public	qs_vxc::qs_vxc_create (ks_env, rho_struct, xc_section, vxc_rho, vxc_tau, exc, just_energy, edisp, dispersion_env, adiabatic_rescale_factor, pw_env_external)
	calculates and allocates the xc potential, already reducing it to the dependence on rho and the one on tau More...
subroutine, public	qs_vxc::qs_xc_density (ks_env, rho_struct, xc_section, dispersion_env, xc_ener, xc_den, vxc, vtau)
	calculates the XC density: E_xc(r) - V_xc(r)*rho(r) or E_xc(r)/rho(r) More...