qs_dispersion_nonloc.F File Reference

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Modules
module	qs_dispersion_nonloc
	Calculation of non local dispersion functionals Some routines adapted from: Copyright (C) 2001-2009 Quantum ESPRESSO group Copyright (C) 2009 Brian Kolb, Timo Thonhauser - Wake Forest University This file is distributed under the terms of the GNU General Public License. See the file ‘License’ in the root directory of the present distribution, or http://www.gnu.org/copyleft/gpl.txt .

Functions/Subroutines
subroutine, public	qs_dispersion_nonloc::qs_dispersion_nonloc_init (dispersion_env, para_env)
	... More...
subroutine, public	qs_dispersion_nonloc::calculate_dispersion_nonloc (vxc_rho, rho_r, rho_g, edispersion, dispersion_env, energy_only, pw_pool, xc_pw_pool, para_env, virial)
	Calculates the non-local vdW functional using the method of Soler For spin polarized cases we use E(a,b) = E(a+b), i.e. total density. More...