ec_methods.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Modules
module	ec_methods
	Routines used for Harris functional Kohn-Sham calculation.

Functions/Subroutines
subroutine, public	ec_methods::create_kernel (qs_env, vxc, vxc_tau, rho, rho1_r, rho1_g, tau1_r, xc_section, compute_virial, virial_xc)
	Creation of second derivative xc-potential.
subroutine, public	ec_methods::ec_mos_init (qs_env, matrix_s)
	Allocate and initiate molecular orbitals environment.