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(* prefix:
11  mgga_c_vsxc_params *params;
12
13  assert(p->params != NULL);
14  params = (mgga_c_vsxc_params * )(p->params);
15*)
16
17$define lda_c_pw_params
18$define lda_c_pw_modified_params
19$include "lda_c_pw.mpl"
20
21$include "gvt4.mpl"
22
23if evalb(Polarization = "ferr") then
24  vsxc_fpar  := (rs, z, xs0, xs1, ts0, ts1) ->
25    + f_pw(rs, 1)
26    * gtv4(params_a_alpha_ss, params_a_dss, xs0, 2*(ts0 - K_FACTOR_C))
27    * Fermi_D(xs0, ts0):
28
29    vsxc_fperp := (rs, z, xs0, xs1, ts0, ts1) -> 0:
30else
31  vsxc_comp := (rs, z, spin, xs, ts) ->
32    + lda_stoll_par(f_pw, rs,  z,  1)
33    * gtv4(params_a_alpha_ss, params_a_dss, xs, 2*(ts - K_FACTOR_C))
34    * Fermi_D(xs, ts):
35
36  (* The parallel and perpendicular components of the energy *)
37  vsxc_fpar  := (rs, z, xs0, xs1, ts0, ts1) ->
38    + vsxc_comp(rs,  z,  1, xs0, ts0)
39    + vsxc_comp(rs, -z, -1, xs1, ts1):
40
41  vsxc_fperp := (rs, z, xs0, xs1, ts0, ts1) ->
42    + lda_stoll_perp(f_pw, rs,  z)
43    * gtv4(params_a_alpha_ab, params_a_dab, sqrt(xs0^2 + xs1^2), 2*(ts0 + ts1 - 2*K_FACTOR_C)):
44end if:
45
46vsxc_f := (rs, z, xs0, xs1, ts0, ts1) ->
47  + vsxc_fpar (rs, z, xs0, xs1, ts0, ts1)
48  + vsxc_fperp(rs, z, xs0, xs1, ts0, ts1):
49
50f := (rs, z, xt, xs0, xs1, us0, us1, ts0, ts1) ->
51  vsxc_f(rs, z, xs0, xs1, ts0, ts1):
52