1(* 2 Copyright (C) 2017 M.A.L. Marques 3 4 This Source Code Form is subject to the terms of the Mozilla Public 5 License, v. 2.0. If a copy of the MPL was not distributed with this 6 file, You can obtain one at http://mozilla.org/MPL/2.0/. 7*) 8 9(* type: mgga_exc *) 10 11$define lda_c_pw_params 12$include "lda_c_pw.mpl" 13 14$define lda_x_params 15$include "lda_x.mpl" 16 17cc06_cnst := (3/(4*Pi))^(2/3): 18 19cc06_alpha := -0.0007: 20cc06_beta := 0.0080*cc06_cnst: 21cc06_gamma := 0.026 *cc06_cnst: 22 23cc06_f := (rs, z, us0, us1) -> 24 (f_lda_x(rs, z) + f_pw(rs, z))*(1 + 25 (cc06_alpha + cc06_beta*u_total(z, us0, us1))/(1 + cc06_gamma*u_total(z, us0, us1)) 26 ): 27 28f := (rs, z, xt, xs0, xs1, us0, us1, ts0, ts1) -> 29 cc06_f(rs, z, us0, us1): 30