static num m06hfx(const densvars<num> &d) { using pw91_like_x_internal::chi2; using m0xy_metagga_xc_internal::zet; using m0xy_metagga_xc_internal::fw; using m0xy_metagga_xc_internal::h; using m0xy_metagga_xc_internal::alpha_x; const parameter param_a[12] = { 1.179732e-01, -1.066708e+00, -1.462405e-01, 7.481848e+00, 3.776679e+00, -4.436118e+01, -1.830962e+01, 1.003903e+02, 3.864360e+01, -9.806018e+01, -2.557716e+01, 3.590404e+01 }; const parameter param_d[6] = { -1.179732e-01, -2.500000e-03, -1.180056e-02, 0.000000e+00, 0.000000e+00, 0.000000e+00 }; num chia2 = chi2(d.a, d.gaa); num chib2 = chi2(d.b, d.gbb); return ( ( pbex::energy_pbe_ab(pbex::R_pbe,d.a,d.gaa)*fw(param_a, d.a, d.taua) + lsda_x(d.a)*h(param_d, alpha_x, chia2, zet(d.a, d.taua))) + ( pbex::energy_pbe_ab(pbex::R_pbe,d.b,d.gbb)*fw(param_a, d.b, d.taub) + lsda_x(d.b)*h(param_d, alpha_x, chib2, zet(d.b, d.taub))) ); }
static num m05x2x(const densvars<num> &d) { using m0xy_metagga_xc_internal::fw; const parameter param_a[12] = { 1.000000e+00, -5.683300e-01, -1.300570e+00, 5.500700e+00, 9.064020e+00, -3.221075e+01, -2.373298e+01, 7.022996e+01, 2.988614e+01, -6.025778e+01, -1.322205e+01, 1.523694e+01 }; return ( pbex::energy_pbe_ab(pbex::R_pbe,d.a,d.gaa)*fw(param_a, d.a, d.taua) + pbex::energy_pbe_ab(pbex::R_pbe,d.b,d.gbb)*fw(param_a, d.b, d.taub) ); }
static num m06x2x(const densvars<num> &d) { using m0xy_metagga_xc_internal::fw; const parameter param_a[12] = { 4.600000e-01, -2.206052e-01, -9.431788e-02, 2.164494e+00, -2.556466e+00, -1.422133e+01, 1.555044e+01, 3.598078e+01, -2.722754e+01, -3.924093e+01, 1.522808e+01, 1.522227e+01 }; return ( pbex::energy_pbe_ab(pbex::R_pbe,d.a,d.gaa)*fw(param_a, d.a, d.taua) + pbex::energy_pbe_ab(pbex::R_pbe,d.b,d.gbb)*fw(param_a, d.b, d.taub) ); }