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/*
Copyright (C) 2006-2007 M.A.L. Marques
This Source Code Form is subject to the terms of the Mozilla Public
License, v. 2.0. If a copy of the MPL was not distributed with this
file, You can obtain one at http://mozilla.org/MPL/2.0/.
*/
#include "util.h"
#define XC_MGGA_C_CS 72 /* Colle and Salvetti */
/*
[1] Eq. (15) in http://dx.doi.org/10.1103/PhysRevB.37.785
[2] CS2 in http://www.molpro.net/info/2012.1/doc/manual/node192.html
there is a gamma(r) in [1] absent in [2]. This should be irrelevant
for spin unpolarized. In any case, it seems that even in that case,
libxc does not give the same as molpro, but I am unable to
understand why...
*/
#include "maple2c/mgga_c_cs.c"
#define func maple2c_func
#include "work_mgga_c.c"
const xc_func_info_type xc_func_info_mgga_c_cs = {
XC_MGGA_C_CS,
XC_CORRELATION,
"Colle and Salvetti",
XC_FAMILY_MGGA,
{&xc_ref_Colle1975_329, &xc_ref_Lee1988_785, NULL, NULL, NULL},
XC_FLAGS_3D | XC_FLAGS_NEEDS_LAPLACIAN | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC,
1e-24,
0, NULL, NULL,
NULL, NULL,
NULL, NULL, work_mgga_c,
};
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