xc_b97.F File Reference

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

Go to the source code of this file.

Modules
module	xc_b97
	calculates the b97 correlation functional

Functions/Subroutines
subroutine, public	xc_b97::b97_lda_info (b97_params, reference, shortform, needs, max_deriv)
	return various information on the functional
subroutine, public	xc_b97::b97_lsd_info (b97_params, reference, shortform, needs, max_deriv)
	return various information on the functional
subroutine, public	xc_b97::b97_lda_eval (rho_set, deriv_set, grad_deriv, b97_params)
	evaluates the b97 correlation functional for lda
subroutine, public	xc_b97::b97_lsd_eval (rho_set, deriv_set, grad_deriv, b97_params)
	evaluates the b 97 xc functional for lsd