xc_xbeef.F File Reference

#include "../base/base_uses.f90"

Go to the source code of this file.

Modules
module	xc_xbeef
	calculates the Exchange contribution in the BEEF-vdW functional

Functions/Subroutines
subroutine, public	xc_xbeef::xbeef_lda_info (reference, shortform, needs, max_deriv)
	return various information on the functional
subroutine, public	xc_xbeef::xbeef_lsd_info (reference, shortform, needs, max_deriv)
	return various information on the functional
subroutine, public	xc_xbeef::xbeef_lda_eval (rho_set, deriv_set, grad_deriv, xbeef_params)
	evaluates the beef exchange functional for lda
subroutine, public	xc_xbeef::xbeef_lsd_eval (rho_set, deriv_set, grad_deriv, xbeef_params)
	evaluates the beef 88 exchange functional for lsd