1(* 2 Copyright (C) 2017 M.A.L. Marques 3 2019 Susi Lehtola 4 5 This Source Code Form is subject to the terms of the Mozilla Public 6 License, v. 2.0. If a copy of the MPL was not distributed with this 7 file, You can obtain one at http://mozilla.org/MPL/2.0/. 8*) 9 10(* type: gga_exc *) 11(* prefix: 12 gga_x_cap_params *params; 13 14 assert(p->params != NULL); 15 params = (gga_x_cap_params * )(p->params); 16*) 17 18cap_f0 := s -> 1 - params_a_alphaoAx*s*log(1 + s)/(1 + params_a_c*log(1 + s)): 19cap_f := x -> cap_f0(X2S*x): 20 21f := (rs, z, xt, xs0, xs1) -> gga_exchange(cap_f, rs, z, xs0, xs1): 22 23