1 /*
2 Copyright (C) 2006-2007 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 #include "util.h"
10
11 #define XC_GGA_K_OL2 513 /* Ou-Yang and Levy v.2 */
12
13 typedef struct{
14 double aa, bb, cc;
15 } gga_k_ol2_params;
16
17 static void
gga_k_ol2_init(xc_func_type * p)18 gga_k_ol2_init(xc_func_type *p)
19 {
20 gga_k_ol2_params *params;
21
22 assert(p!=NULL && p->params == NULL);
23 p->params = libxc_malloc(sizeof(gga_k_ol2_params));
24 params = (gga_k_ol2_params *) (p->params);
25
26 switch(p->info->number){
27 case XC_GGA_K_OL2:
28 params->aa = 1.0;
29 params->bb = 1.0/K_FACTOR_C;
30 params->cc = 0.00887/K_FACTOR_C;
31 break;
32 }
33 }
34
35 #include "decl_gga.h"
36 #include "maple2c/gga_exc/gga_k_ol2.c"
37 #include "work_gga.c"
38
39 #ifdef __cplusplus
40 extern "C"
41 #endif
42 const xc_func_info_type xc_func_info_gga_k_ol2 = {
43 XC_GGA_K_OL2,
44 XC_KINETIC,
45 "Ou-Yang and Levy v.2",
46 XC_FAMILY_GGA,
47 {&xc_ref_OuYang1991_379, NULL, NULL, NULL, NULL},
48 XC_FLAGS_3D | MAPLE2C_FLAGS,
49 5e-26,
50 {0, NULL, NULL, NULL, NULL},
51 gga_k_ol2_init, NULL,
52 NULL, work_gga, NULL
53 };
54