xc_pbe.F File Reference

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

Go to the source code of this file.

Modules
module	xc_pbe
	calculates the pbe correlation functional

Functions/Subroutines
subroutine, public	xc_pbe::pbe_lda_info (pbe_params, reference, shortform, needs, max_deriv)
	return various information on the functional
subroutine, public	xc_pbe::pbe_lsd_info (pbe_params, reference, shortform, needs, max_deriv)
	return various information on the functional
subroutine, public	xc_pbe::pbe_lda_eval (rho_set, deriv_set, grad_deriv, pbe_params)
	evaluates the pbe correlation functional for lda
subroutine, public	xc_pbe::pbe_lsd_eval (rho_set, deriv_set, grad_deriv, pbe_params)
	evaluates the becke 88 exchange functional for lsd