xc_pade.F File Reference

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

Go to the source code of this file.

Modules
module	xc_pade
	Calculate the LDA functional in the Pade approximation Literature: S. Goedecker, M. Teter and J. Hutter, Phys. Rev. B 54, 1703 (1996)

Functions/Subroutines
subroutine, public	xc_pade::pade_init (cutoff, debug)
	... More...
subroutine, public	xc_pade::pade_info (reference, shortform, lsd, needs, max_deriv)
	... More...
subroutine, public	xc_pade::pade_lda_pw_eval (deriv_set, rho_set, order)
	... More...
subroutine, public	xc_pade::pade_lsd_pw_eval (deriv_set, rho_set, order)
	... More...
subroutine, public	xc_pade::pade_fxc_eval (rho_a, rho_b, fxc_aa, fxc_ab, fxc_bb)
	... More...