1C> \ingroup nwxc 2C> @{ 3C> 4C> \file nwxcm_x_sogga.F 5C> The nwxcm_x_sogga functional 6C> 7C> @} 8C> 9C> \ingroup nwxc_priv 10C> @{ 11C> 12C> \brief Evaluate the nwxcm_x_sogga functional [1] 13C> 14C> \f{eqnarray*}{ 15C> {\it t_1} &=& {\it param}\left(1\right)\\\\ 16C> {\it t_2} &=& {\it param}\left(7\right)\\\\ 17C> {\it t_3} &=& {\it param}\left(2\right)\\\\ 18C> {\it t_4} &=& {{0.003680288926083876\, 19C> \sigma_{\alpha\alpha}}\over{\rho_\alpha^{{{8}\over{3}}}}}\\\\ 20C> {\it t_5} &=& 1.0-{{1.0}\over{{\it t_4}+1.0}}\\\\ 21C> {\it t_6} &=& {\it param}\left(3\right)\\\\ 22C> {\it t_7} &=& {\it param}\left(4\right)\\\\ 23C> {\it t_8} &=& {\it param}\left(5\right)\\\\ 24C> {\it t_9} &=& {\it param}\left(6\right)\\\\ 25C> {\it t_{10}} &=& {\it param}\left(9\right)\\\\ 26C> {\it t_{11}} &=& 1.0-{{1}\over{e^{{\it t_4}}}}\\\\ 27C> {\it t_{12}} &=& {\it param}\left(10\right)\\\\ 28C> {\it t_{13}} &=& {\it param}\left(11\right)\\\\ 29C> {\it t_{14}} &=& {\it param}\left(12\right)\\\\ 30C> {\it t_{15}} &=& {\it param}\left(8\right)\\\\ 31C> {\it t_{16}} &=& {{0.003680288926083876\, 32C> \sigma_{\beta\beta}}\over{\rho_\beta^{{{8}\over{3}}}}}\\\\ 33C> {\it t_{17}} &=& 1.0-{{1.0}\over{{\it t_{16}}+1.0}}\\\\ 34C> {\it t_{18}} &=& 1.0-{{1}\over{e^{{\it t_{16}}}}}\\\\ 35C> {\it t_{19}} &=& {{0.003680288926083876\,\sigma_{ss}} 36C> \over{\rho_s^{{{8}\over{3}}}}}\\\\ 37C> {\it t_{20}} &=& 1.0-{{1.0}\over{{\it t_{19}}+1.0}}\\\\ 38C> {\it t_{21}} &=& 1.0-{{1}\over{e^{{\it t_{19}}}}}\\\\ 39C> f &=& -0.9305257363491002\,\rho_\beta^{{{4}\over{3}}}\, 40C> \left({\it t_{15}}\,{\it t_{18}}+{\it t_{14}}\,{ 41C> \it t_{18}}^{5.0}+{\it t_{13}}\,{\it t_{18}}^{4.0}+{ 42C> \it t_{12}}\,{\it t_{18}}^{3.0}+{\it t_{10}}\,{\it t_{18}}^{2.0} 43C> +{\it t_9}\,{\it t_{17}}^{5.0}+{\it t_8}\,{\it t_{17}}^{4.0} 44C> +{\it t_7}\,{\it t_{17}}^{3.0}+{\it t_6}\,{\it t_{17}}^{2.0} 45C> +{\it t_3}\,{\it t_{17}}+{\it t_2}+{\it t_1}\right) 46C> -0.9305257363491002\,\rho_\alpha^{{{4}\over{3}}}\,\left({ 47C> \it t_{15}}\,{\it t_{11}}+{\it t_{14}}\,{\it t_{11}}^{5.0}+{ 48C> \it t_{13}}\,{\it t_{11}}^{4.0}+{\it t_{12}}\,{\it t_{11}}^{3.0} 49C> +{\it t_{10}}\,{\it t_{11}}^{2.0}+{\it t_9}\,{\it t_5}^{5.0} 50C> +{\it t_8}\,{\it t_5}^{4.0}+{\it t_7}\,{\it t_5}^{3.0}+{ 51C> \it t_6}\,{\it t_5}^{2.0}+{\it t_3}\,{\it t_5}+{\it t_2}+{ 52C> \it t_1}\right)\\\\ 53C> g &=& 0\\\\ 54C> G &=& -0.9305257363491002\,\rho_s^{{{4}\over{3}}}\,\left({ 55C> \it t_{15}}\,{\it t_{21}}+{\it t_{14}}\,{\it t_{21}}^{5.0}+{ 56C> \it t_{13}}\,{\it t_{21}}^{4.0}+{\it t_{12}}\,{\it t_{21}}^{3.0} 57C> +{\it t_{10}}\,{\it t_{21}}^{2.0}+{\it t_9}\,{\it t_{20}}^{5.0} 58C> +{\it t_8}\,{\it t_{20}}^{4.0}+{\it t_7}\,{\it t_{20}}^{3.0} 59C> +{\it t_6}\,{\it t_{20}}^{2.0}+{\it t_3}\,{\it t_{20}}+{\it t_2} 60C> +{\it t_1}\right)\\\\ 61C> \f} 62C> 63C> Code generated with Maxima 5.34.0 [2] 64C> driven by autoxc [3]. 65C> 66C> ### References ### 67C> 68C> [1] Y Zhao, DG Truhlar, J.Chem.Phys. 128, 184109 (2008) , DOI: 69C> <a href="https://doi.org/10.1063/1.2912068 "> 70C> 10.1063/1.2912068 </a> 71C> 72C> [2] Maxima, a computer algebra system, 73C> <a href="http://maxima.sourceforge.net/"> 74C> http://maxima.sourceforge.net/</a> 75C> 76C> [3] autoxc, revision 27097 2015-05-08 77C> 78 subroutine nwxcm_x_sogga(param,tol_rho,ipol,nq,wght, 79 +rho,rgamma,fnc,Amat,Cmat) 80c $Id: $ 81#ifdef NWXC_QUAD_PREC 82 implicit real(kind=selected_real_kind(30))(a-h,o-z),integer(i-n) 83 integer, parameter :: rk=selected_real_kind(30) 84#else 85 implicit real(kind=selected_real_kind(15))(a-h,o-z),integer(i-n) 86 integer, parameter :: rk=selected_real_kind(15) 87#endif 88#include "nwxc_param.fh" 89 double precision param(*) !< [Input] Parameters of functional 90 double precision tol_rho !< [Input] The lower limit on the density 91 integer ipol !< [Input] The number of spin channels 92 integer nq !< [Input] The number of points 93 double precision wght !< [Input] The weight of the functional 94 double precision rho(nq,*) !< [Input] The density 95 double precision rgamma(nq,*) !< [Input] The norm of the density 96 !< gradients 97 double precision fnc(nq) !< [Output] The value of the functional 98c 99c Sampling Matrices for the XC Kernel 100c 101 double precision Amat(nq,*) !< [Output] The derivative wrt rho 102 double precision Cmat(nq,*) !< [Output] The derivative wrt rgamma 103 integer iq 104 double precision tmp 105 double precision rhoa,rhob 106 double precision gammaaa,gammaab,gammabb 107 double precision taua,taub 108 double precision nwxcm_heaviside 109 external nwxcm_heaviside 110CDIR$ NOVECTOR 111 do iq = 1, nq 112 if (ipol.eq.1) then 113 rhoa = 0.5d0*rho(iq,R_T) 114 gammaaa = 0.25d0*rgamma(iq,G_TT) 115 if (rhoa.gt.tol_rho) then 116 t1 = rhoa**1.3333333333333333d+0 117 t2 = param(3) 118 t3 = 1/rhoa**2.6666666666666666d+0 119 t4 = 3.6802889260838756d-3*gammaaa*t3 120 t5 = t4+1.0d+0 121 t6 = 1.0d+0-1.0d+0/t5 122 t7 = t6**2.0d+0 123 t8 = param(4) 124 t9 = t6**3.0d+0 125 t10 = param(5) 126 t11 = t6**4.0d+0 127 t12 = param(6) 128 t13 = param(2) 129 t14 = param(9) 130 t15 = exp(-t4) 131 t16 = 1.0d+0-t15 132 t17 = t16**2.0d+0 133 t18 = param(10) 134 t19 = t16**3.0d+0 135 t20 = param(11) 136 t21 = t16**4.0d+0 137 t22 = param(12) 138 t23 = param(8) 139 t24 = t8*t9+t2*t7+t12*t6**5.0d+0+t13*t6+t16*t23+t16**5.0d+0* 140 1 t22+t20*t21+t18*t19+t14*t17+t10*t11+param(7)+param(1) 141 t25 = 1/t5**2 142 t26 = 1/rhoa**3.6666666666666664d+0 143 fnc(iq) = fnc(iq)-1.8610514726982003d+0*t1*t24*wght 144 Amat(iq,D1_RA) = (-9.305257363491002d-1*t1*(-3.9256415211561 145 1 34d-2*gammaaa*t10*t25*t26*t9-2.9442311408671007d-2*gammaa 146 2 a*t25*t26*t7*t8-1.962820760578067d-2*gammaaa*t2*t25*t26*t 147 3 6-9.814103802890335d-3*gammaaa*t13*t25*t26-4.907051901445 148 4 1675d-2*gammaaa*t11*t12*t25*t26-9.814103802890335d-3*gamm 149 5 aaa*t15*t23*t26-4.9070519014451675d-2*gammaaa*t15*t21*t22 150 6 *t26-3.925641521156134d-2*gammaaa*t15*t19*t20*t26-2.94423 151 7 11408671007d-2*gammaaa*t15*t17*t18*t26-1.962820760578067d 152 8 -2*gammaaa*t14*t15*t16*t26)-1.2407009817988002d+0*rhoa**3 153 9 .333333333333333d-1*t24)*wght+Amat(iq,D1_RA) 154 Cmat(iq,D1_GAA) = Cmat(iq,D1_GAA)-9.305257363491002d-1*t1*(t 155 1 25*t3*(1.4721155704335503d-2*t10*t9+1.1040866778251626d-2 156 2 *t7*t8+7.360577852167751d-3*t2*t6+3.6802889260838756d-3*t 157 3 13+1.8401444630419378d-2*t11*t12)+(3.6802889260838756d-3* 158 4 t15*t23+1.8401444630419378d-2*t15*t21*t22+1.4721155704335 159 5 503d-2*t15*t19*t20+1.1040866778251626d-2*t15*t17*t18+7.36 160 6 0577852167751d-3*t14*t15*t16)*t3)*wght 161 Cmat(iq,D1_GAB) = Cmat(iq,D1_GAB) 162 endif ! rhoa.gt.tol_rho 163 else ! ipol.eq.1 164 rhoa = rho(iq,R_A) 165 rhob = rho(iq,R_B) 166 gammaaa = rgamma(iq,G_AA) 167 gammaab = rgamma(iq,G_AB) 168 gammabb = rgamma(iq,G_BB) 169 if (rhoa.gt.tol_rho.and.rhob.gt.tol_rho) then 170 t1 = rhoa**1.3333333333333333d+0 171 t2 = param(1) 172 t3 = param(7) 173 t4 = param(3) 174 t5 = 1/rhoa**2.6666666666666666d+0 175 t6 = 3.6802889260838756d-3*gammaaa*t5 176 t7 = t6+1.0d+0 177 t8 = 1.0d+0-1.0d+0/t7 178 t9 = t8**2.0d+0 179 t10 = param(4) 180 t11 = t8**3.0d+0 181 t12 = param(5) 182 t13 = t8**4.0d+0 183 t14 = param(6) 184 t15 = param(2) 185 t16 = param(9) 186 t17 = exp(-t6) 187 t18 = 1.0d+0-t17 188 t19 = t18**2.0d+0 189 t20 = param(10) 190 t21 = t18**3.0d+0 191 t22 = param(11) 192 t23 = t18**4.0d+0 193 t24 = param(12) 194 t25 = param(8) 195 t26 = t4*t9+t14*t8**5.0d+0+t15*t8+t3+t18*t25+t18**5.0d+0*t24 196 1 +t22*t23+t20*t21+t2+t16*t19+t12*t13+t10*t11 197 t27 = rhob**1.3333333333333333d+0 198 t28 = 1/rhob**2.6666666666666666d+0 199 t29 = 3.6802889260838756d-3*gammabb*t28 200 t30 = t29+1.0d+0 201 t31 = 1.0d+0-1.0d+0/t30 202 t32 = t31**2.0d+0 203 t33 = t31**3.0d+0 204 t34 = t31**4.0d+0 205 t35 = exp(-t29) 206 t36 = 1.0d+0-t35 207 t37 = t36**2.0d+0 208 t38 = t36**3.0d+0 209 t39 = t36**4.0d+0 210 t40 = t32*t4+t22*t39+t20*t38+t16*t37+t24*t36**5.0d+0+t25*t36 211 1 +t12*t34+t10*t33+t14*t31**5.0d+0+t15*t31+t3+t2 212 t41 = 1/t7**2 213 t42 = 1/rhoa**3.6666666666666664d+0 214 t43 = 1/t30**2 215 t44 = 1/rhob**3.6666666666666664d+0 216 t45 = 3.6802889260838756d-3*t15 217 fnc(iq) = (-9.305257363491002d-1*t27*t40-9.305257363491002d- 218 1 1*t1*t26)*wght+fnc(iq) 219 Amat(iq,D1_RA) = (-9.305257363491002d-1*t1*(-2.9442311408671 220 1 007d-2*gammaaa*t10*t41*t42*t9-1.962820760578067d-2*gammaa 221 2 a*t4*t41*t42*t8-9.814103802890335d-3*gammaaa*t15*t41*t42- 222 3 4.9070519014451675d-2*gammaaa*t13*t14*t41*t42-3.925641521 223 4 156134d-2*gammaaa*t11*t12*t41*t42-9.814103802890335d-3*ga 224 5 mmaaa*t17*t25*t42-4.9070519014451675d-2*gammaaa*t17*t23*t 225 6 24*t42-3.925641521156134d-2*gammaaa*t17*t21*t22*t42-2.944 226 7 2311408671007d-2*gammaaa*t17*t19*t20*t42-1.96282076057806 227 8 7d-2*gammaaa*t16*t17*t18*t42)-1.2407009817988002d+0*rhoa* 228 9 *3.333333333333333d-1*t26)*wght+Amat(iq,D1_RA) 229 Amat(iq,D1_RB) = (-9.305257363491002d-1*t27*(-1.962820760578 230 1 067d-2*gammabb*t31*t4*t43*t44-4.9070519014451675d-2*gamma 231 2 bb*t14*t34*t43*t44-3.925641521156134d-2*gammabb*t12*t33*t 232 3 43*t44-2.9442311408671007d-2*gammabb*t10*t32*t43*t44-9.81 233 4 4103802890335d-3*gammabb*t15*t43*t44-4.9070519014451675d- 234 5 2*gammabb*t24*t35*t39*t44-3.925641521156134d-2*gammabb*t2 235 6 2*t35*t38*t44-2.9442311408671007d-2*gammabb*t20*t35*t37*t 236 7 44-1.962820760578067d-2*gammabb*t16*t35*t36*t44-9.8141038 237 8 02890335d-3*gammabb*t25*t35*t44)-1.2407009817988002d+0*rh 238 9 ob**3.333333333333333d-1*t40)*wght+Amat(iq,D1_RB) 239 Cmat(iq,D1_GAA) = Cmat(iq,D1_GAA)-9.305257363491002d-1*t1*(t 240 1 41*t5*(1.1040866778251626d-2*t10*t9+7.360577852167751d-3* 241 2 t4*t8+t45+1.8401444630419378d-2*t13*t14+1.472115570433550 242 3 3d-2*t11*t12)+(3.6802889260838756d-3*t17*t25+1.8401444630 243 4 419378d-2*t17*t23*t24+1.4721155704335503d-2*t17*t21*t22+1 244 5 .1040866778251626d-2*t17*t19*t20+7.360577852167751d-3*t16 245 6 *t17*t18)*t5)*wght 246 Cmat(iq,D1_GAB) = Cmat(iq,D1_GAB) 247 Cmat(iq,D1_GBB) = Cmat(iq,D1_GBB)-9.305257363491002d-1*t27*( 248 1 t28*t43*(t45+7.360577852167751d-3*t31*t4+1.84014446304193 249 2 78d-2*t14*t34+1.4721155704335503d-2*t12*t33+1.10408667782 250 3 51626d-2*t10*t32)+t28*(1.8401444630419378d-2*t24*t35*t39+ 251 4 1.4721155704335503d-2*t22*t35*t38+1.1040866778251626d-2*t 252 5 20*t35*t37+7.360577852167751d-3*t16*t35*t36+3.68028892608 253 6 38756d-3*t25*t35))*wght 254 elseif (rhoa.gt.tol_rho.and.rhob.le.tol_rho) then 255 t1 = rhoa**1.3333333333333333d+0 256 t2 = param(3) 257 t3 = 1/rhoa**2.6666666666666666d+0 258 t4 = 3.6802889260838756d-3*gammaaa*t3 259 t5 = t4+1.0d+0 260 t6 = 1.0d+0-1.0d+0/t5 261 t7 = t6**2.0d+0 262 t8 = param(4) 263 t9 = t6**3.0d+0 264 t10 = param(5) 265 t11 = t6**4.0d+0 266 t12 = param(6) 267 t13 = param(2) 268 t14 = param(9) 269 t15 = exp(-t4) 270 t16 = 1.0d+0-t15 271 t17 = t16**2.0d+0 272 t18 = param(10) 273 t19 = t16**3.0d+0 274 t20 = param(11) 275 t21 = t16**4.0d+0 276 t22 = param(12) 277 t23 = param(8) 278 t24 = t8*t9+t2*t7+t12*t6**5.0d+0+t13*t6+t16*t23+t16**5.0d+0* 279 1 t22+t20*t21+t18*t19+t14*t17+t10*t11+param(7)+param(1) 280 t25 = 1/t5**2 281 t26 = 1/rhoa**3.6666666666666664d+0 282 fnc(iq) = fnc(iq)-9.305257363491002d-1*t1*t24*wght 283 Amat(iq,D1_RA) = -9.305257363491002d-1*t1*(-3.92564152115613 284 1 4d-2*gammaaa*t10*t25*t26*t9-2.9442311408671007d-2*gammaaa 285 2 *t25*t26*t7*t8-1.962820760578067d-2*gammaaa*t2*t25*t26*t6 286 3 -9.814103802890335d-3*gammaaa*t13*t25*t26-4.9070519014451 287 4 675d-2*gammaaa*t11*t12*t25*t26-9.814103802890335d-3*gamma 288 5 aa*t15*t23*t26-4.9070519014451675d-2*gammaaa*t15*t21*t22* 289 6 t26-3.925641521156134d-2*gammaaa*t15*t19*t20*t26-2.944231 290 7 1408671007d-2*gammaaa*t15*t17*t18*t26-1.962820760578067d- 291 8 2*gammaaa*t14*t15*t16*t26)*wght-1.2407009817988002d+0*rho 292 9 a**3.333333333333333d-1*t24*wght+Amat(iq,D1_RA) 293 Cmat(iq,D1_GAA) = Cmat(iq,D1_GAA)-9.305257363491002d-1*t1*(t 294 1 25*t3*(1.4721155704335503d-2*t10*t9+1.1040866778251626d-2 295 2 *t7*t8+7.360577852167751d-3*t2*t6+3.6802889260838756d-3*t 296 3 13+1.8401444630419378d-2*t11*t12)+(3.6802889260838756d-3* 297 4 t15*t23+1.8401444630419378d-2*t15*t21*t22+1.4721155704335 298 5 503d-2*t15*t19*t20+1.1040866778251626d-2*t15*t17*t18+7.36 299 6 0577852167751d-3*t14*t15*t16)*t3)*wght 300 elseif (rhoa.le.tol_rho.and.rhob.gt.tol_rho) then 301 t1 = rhob**1.3333333333333333d+0 302 t2 = param(3) 303 t3 = 1/rhob**2.6666666666666666d+0 304 t4 = 3.6802889260838756d-3*gammabb*t3 305 t5 = t4+1.0d+0 306 t6 = 1.0d+0-1.0d+0/t5 307 t7 = t6**2.0d+0 308 t8 = param(4) 309 t9 = t6**3.0d+0 310 t10 = param(5) 311 t11 = t6**4.0d+0 312 t12 = param(6) 313 t13 = param(2) 314 t14 = param(9) 315 t15 = exp(-t4) 316 t16 = 1.0d+0-t15 317 t17 = t16**2.0d+0 318 t18 = param(10) 319 t19 = t16**3.0d+0 320 t20 = param(11) 321 t21 = t16**4.0d+0 322 t22 = param(12) 323 t23 = param(8) 324 t24 = t8*t9+t2*t7+t12*t6**5.0d+0+t13*t6+t16*t23+t16**5.0d+0* 325 1 t22+t20*t21+t18*t19+t14*t17+t10*t11+param(7)+param(1) 326 t25 = 1/t5**2 327 t26 = 1/rhob**3.6666666666666664d+0 328 fnc(iq) = fnc(iq)-9.305257363491002d-1*t1*t24*wght 329 Amat(iq,D1_RB) = -9.305257363491002d-1*t1*(-3.92564152115613 330 1 4d-2*gammabb*t10*t25*t26*t9-2.9442311408671007d-2*gammabb 331 2 *t25*t26*t7*t8-1.962820760578067d-2*gammabb*t2*t25*t26*t6 332 3 -9.814103802890335d-3*gammabb*t13*t25*t26-4.9070519014451 333 4 675d-2*gammabb*t11*t12*t25*t26-9.814103802890335d-3*gamma 334 5 bb*t15*t23*t26-4.9070519014451675d-2*gammabb*t15*t21*t22* 335 6 t26-3.925641521156134d-2*gammabb*t15*t19*t20*t26-2.944231 336 7 1408671007d-2*gammabb*t15*t17*t18*t26-1.962820760578067d- 337 8 2*gammabb*t14*t15*t16*t26)*wght-1.2407009817988002d+0*rho 338 9 b**3.333333333333333d-1*t24*wght+Amat(iq,D1_RB) 339 Cmat(iq,D1_GBB) = Cmat(iq,D1_GBB)-9.305257363491002d-1*t1*(t 340 1 25*t3*(1.4721155704335503d-2*t10*t9+1.1040866778251626d-2 341 2 *t7*t8+7.360577852167751d-3*t2*t6+3.6802889260838756d-3*t 342 3 13+1.8401444630419378d-2*t11*t12)+(3.6802889260838756d-3* 343 4 t15*t23+1.8401444630419378d-2*t15*t21*t22+1.4721155704335 344 5 503d-2*t15*t19*t20+1.1040866778251626d-2*t15*t17*t18+7.36 345 6 0577852167751d-3*t14*t15*t16)*t3)*wght 346 endif ! rhoa.gt.tol_rho.and.rhob.gt.tol_rho 347 endif ! ipol.eq.1 348 enddo ! iq 349 end 350C> 351C> \brief Evaluate the nwxcm_x_sogga functional [1] 352C> 353C> \f{eqnarray*}{ 354C> {\it t_1} &=& {\it param}\left(1\right)\\\\ 355C> {\it t_2} &=& {\it param}\left(7\right)\\\\ 356C> {\it t_3} &=& {\it param}\left(2\right)\\\\ 357C> {\it t_4} &=& {{0.003680288926083876\, 358C> \sigma_{\alpha\alpha}}\over{\rho_\alpha^{{{8}\over{3}}}}}\\\\ 359C> {\it t_5} &=& 1.0-{{1.0}\over{{\it t_4}+1.0}}\\\\ 360C> {\it t_6} &=& {\it param}\left(3\right)\\\\ 361C> {\it t_7} &=& {\it param}\left(4\right)\\\\ 362C> {\it t_8} &=& {\it param}\left(5\right)\\\\ 363C> {\it t_9} &=& {\it param}\left(6\right)\\\\ 364C> {\it t_{10}} &=& {\it param}\left(9\right)\\\\ 365C> {\it t_{11}} &=& 1.0-{{1}\over{e^{{\it t_4}}}}\\\\ 366C> {\it t_{12}} &=& {\it param}\left(10\right)\\\\ 367C> {\it t_{13}} &=& {\it param}\left(11\right)\\\\ 368C> {\it t_{14}} &=& {\it param}\left(12\right)\\\\ 369C> {\it t_{15}} &=& {\it param}\left(8\right)\\\\ 370C> {\it t_{16}} &=& {{0.003680288926083876\, 371C> \sigma_{\beta\beta}}\over{\rho_\beta^{{{8}\over{3}}}}}\\\\ 372C> {\it t_{17}} &=& 1.0-{{1.0}\over{{\it t_{16}}+1.0}}\\\\ 373C> {\it t_{18}} &=& 1.0-{{1}\over{e^{{\it t_{16}}}}}\\\\ 374C> {\it t_{19}} &=& {{0.003680288926083876\,\sigma_{ss}} 375C> \over{\rho_s^{{{8}\over{3}}}}}\\\\ 376C> {\it t_{20}} &=& 1.0-{{1.0}\over{{\it t_{19}}+1.0}}\\\\ 377C> {\it t_{21}} &=& 1.0-{{1}\over{e^{{\it t_{19}}}}}\\\\ 378C> f &=& -0.9305257363491002\,\rho_\beta^{{{4}\over{3}}}\, 379C> \left({\it t_{15}}\,{\it t_{18}}+{\it t_{14}}\,{ 380C> \it t_{18}}^{5.0}+{\it t_{13}}\,{\it t_{18}}^{4.0}+{ 381C> \it t_{12}}\,{\it t_{18}}^{3.0}+{\it t_{10}}\,{\it t_{18}}^{2.0} 382C> +{\it t_9}\,{\it t_{17}}^{5.0}+{\it t_8}\,{\it t_{17}}^{4.0} 383C> +{\it t_7}\,{\it t_{17}}^{3.0}+{\it t_6}\,{\it t_{17}}^{2.0} 384C> +{\it t_3}\,{\it t_{17}}+{\it t_2}+{\it t_1}\right) 385C> -0.9305257363491002\,\rho_\alpha^{{{4}\over{3}}}\,\left({ 386C> \it t_{15}}\,{\it t_{11}}+{\it t_{14}}\,{\it t_{11}}^{5.0}+{ 387C> \it t_{13}}\,{\it t_{11}}^{4.0}+{\it t_{12}}\,{\it t_{11}}^{3.0} 388C> +{\it t_{10}}\,{\it t_{11}}^{2.0}+{\it t_9}\,{\it t_5}^{5.0} 389C> +{\it t_8}\,{\it t_5}^{4.0}+{\it t_7}\,{\it t_5}^{3.0}+{ 390C> \it t_6}\,{\it t_5}^{2.0}+{\it t_3}\,{\it t_5}+{\it t_2}+{ 391C> \it t_1}\right)\\\\ 392C> g &=& 0\\\\ 393C> G &=& -0.9305257363491002\,\rho_s^{{{4}\over{3}}}\,\left({ 394C> \it t_{15}}\,{\it t_{21}}+{\it t_{14}}\,{\it t_{21}}^{5.0}+{ 395C> \it t_{13}}\,{\it t_{21}}^{4.0}+{\it t_{12}}\,{\it t_{21}}^{3.0} 396C> +{\it t_{10}}\,{\it t_{21}}^{2.0}+{\it t_9}\,{\it t_{20}}^{5.0} 397C> +{\it t_8}\,{\it t_{20}}^{4.0}+{\it t_7}\,{\it t_{20}}^{3.0} 398C> +{\it t_6}\,{\it t_{20}}^{2.0}+{\it t_3}\,{\it t_{20}}+{\it t_2} 399C> +{\it t_1}\right)\\\\ 400C> \f} 401C> 402C> Code generated with Maxima 5.34.0 [2] 403C> driven by autoxc [3]. 404C> 405C> ### References ### 406C> 407C> [1] Y Zhao, DG Truhlar, J.Chem.Phys. 128, 184109 (2008) , DOI: 408C> <a href="https://doi.org/10.1063/1.2912068 "> 409C> 10.1063/1.2912068 </a> 410C> 411C> [2] Maxima, a computer algebra system, 412C> <a href="http://maxima.sourceforge.net/"> 413C> http://maxima.sourceforge.net/</a> 414C> 415C> [3] autoxc, revision 27097 2015-05-08 416C> 417 subroutine nwxcm_x_sogga_d2(param,tol_rho,ipol,nq,wght, 418 +rho,rgamma,fnc,Amat,Amat2,Cmat,Cmat2) 419c $Id: $ 420#ifdef NWXC_QUAD_PREC 421 implicit real(kind=selected_real_kind(30))(a-h,o-z),integer(i-n) 422 integer, parameter :: rk=selected_real_kind(30) 423#else 424 implicit real(kind=selected_real_kind(15))(a-h,o-z),integer(i-n) 425 integer, parameter :: rk=selected_real_kind(15) 426#endif 427#include "nwxc_param.fh" 428 double precision param(*) !< [Input] Parameters of functional 429 double precision tol_rho !< [Input] The lower limit on the density 430 integer ipol !< [Input] The number of spin channels 431 integer nq !< [Input] The number of points 432 double precision wght !< [Input] The weight of the functional 433 double precision rho(nq,*) !< [Input] The density 434 double precision rgamma(nq,*) !< [Input] The norm of the density 435 !< gradients 436 double precision fnc(nq) !< [Output] The value of the functional 437c 438c Sampling Matrices for the XC Kernel 439c 440 double precision Amat(nq,*) !< [Output] The derivative wrt rho 441 double precision Cmat(nq,*) !< [Output] The derivative wrt rgamma 442c 443c Sampling Matrices for the XC Kernel 444c 445 double precision Amat2(nq,*) !< [Output] The 2nd derivative wrt rho 446 double precision Cmat2(nq,*) !< [Output] The 2nd derivative wrt rgamma 447 !< and possibly rho 448 integer iq 449 double precision tmp 450 double precision rhoa,rhob 451 double precision gammaaa,gammaab,gammabb 452 double precision taua,taub 453 double precision nwxcm_heaviside 454 external nwxcm_heaviside 455CDIR$ NOVECTOR 456 do iq = 1, nq 457 if (ipol.eq.1) then 458 rhoa = 0.5d0*rho(iq,R_T) 459 gammaaa = 0.25d0*rgamma(iq,G_TT) 460 if (rhoa.gt.tol_rho) then 461 t1 = rhoa**1.3333333333333333d+0 462 t2 = param(3) 463 t3 = 1/rhoa**2.6666666666666666d+0 464 t4 = 3.6802889260838756d-3*gammaaa*t3 465 t5 = t4+1.0d+0 466 t6 = 1.0d+0-1.0d+0/t5 467 t7 = t6**2.0d+0 468 t8 = param(4) 469 t9 = t6**3.0d+0 470 t10 = param(5) 471 t11 = t6**4.0d+0 472 t12 = param(6) 473 t13 = param(2) 474 t14 = param(9) 475 t15 = exp(-t4) 476 t16 = 1.0d+0-t15 477 t17 = t16**2.0d+0 478 t18 = param(10) 479 t19 = t16**3.0d+0 480 t20 = param(11) 481 t21 = t16**4.0d+0 482 t22 = param(12) 483 t23 = param(8) 484 t24 = t8*t9+t2*t7+t12*t6**5.0d+0+t13*t6+t16*t23+t16**5.0d+0* 485 1 t22+t20*t21+t18*t19+t14*t17+t10*t11+param(7)+param(1) 486 t25 = rhoa**3.333333333333333d-1 487 t26 = 1/t5**2 488 t27 = 1/rhoa**3.6666666666666664d+0 489 t28 = -3.925641521156134d-2*gammaaa*t10*t26*t27*t9-2.9442311 490 1 408671007d-2*gammaaa*t26*t27*t7*t8-1.962820760578067d-2*g 491 2 ammaaa*t2*t26*t27*t6-9.814103802890335d-3*gammaaa*t13*t26 492 3 *t27-4.9070519014451675d-2*gammaaa*t11*t12*t26*t27-9.8141 493 4 03802890335d-3*gammaaa*t15*t23*t27-4.9070519014451675d-2* 494 5 gammaaa*t15*t21*t22*t27-3.925641521156134d-2*gammaaa*t15* 495 6 t19*t20*t27-2.9442311408671007d-2*gammaaa*t15*t17*t18*t27 496 7 -1.962820760578067d-2*gammaaa*t14*t15*t16*t27 497 t29 = 1.4721155704335503d-2*t10*t9+1.1040866778251626d-2*t7* 498 1 t8+7.360577852167751d-3*t2*t6+3.6802889260838756d-3*t13+1 499 2 .8401444630419378d-2*t11*t12 500 t30 = gammaaa**2 501 t31 = 1/t5**4 502 t32 = 1/rhoa**7.333333333333333d+0 503 t33 = 1/t5**3 504 t34 = 1/rhoa**4.666666666666667d+0 505 t35 = exp(-7.360577852167751d-3*gammaaa*t3) 506 t36 = 1/rhoa**6.333333333333333d+0 507 fnc(iq) = fnc(iq)-1.8610514726982003d+0*t1*t24*wght 508 Amat(iq,D1_RA) = (-9.305257363491002d-1*t1*t28-1.24070098179 509 1 88002d+0*t24*t25)*wght+Amat(iq,D1_RA) 510 Cmat(iq,D1_GAA) = Cmat(iq,D1_GAA)-9.305257363491002d-1*t1*(t 511 1 26*t29*t3+(3.6802889260838756d-3*t15*t23+1.84014446304193 512 2 78d-2*t15*t21*t22+1.4721155704335503d-2*t15*t19*t20+1.104 513 3 0866778251626d-2*t15*t17*t18+7.360577852167751d-3*t14*t15 514 4 *t16)*t3)*wght 515 Cmat(iq,D1_GAB) = Cmat(iq,D1_GAB) 516 Amat2(iq,D2_RA_RA) = (-9.305257363491002d-1*t1*(1.4394018910 517 1 905823d-1*gammaaa*t10*t26*t34*t9-7.705330676312523d-4*t10 518 2 *t30*t32*t33*t9+1.9263326690781307d-3*t12*t30*t31*t32*t9+ 519 3 1.0795514183179368d-1*gammaaa*t26*t34*t7*t8-5.77899800723 520 4 4393d-4*t30*t32*t33*t7*t8+5.778998007234393d-4*t30*t31*t3 521 5 2*t6*t8+1.1557996014468785d-3*t10*t30*t31*t32*t7+7.197009 522 6 455452912d-2*gammaaa*t2*t26*t34*t6-3.8526653381562614d-4* 523 7 t2*t30*t32*t33*t6+1.9263326690781307d-3*t19*t22*t30*t32*t 524 8 35+1.1557996014468785d-3*t17*t20*t30*t32*t35+5.7789980072 525 9 34393d-4*t16*t18*t30*t32*t35+1.9263326690781307d-4*t14*t3 526 : 0*t32*t35+3.598504727726456d-2*gammaaa*t13*t26*t34+1.7992 527 ; 52363863228d-1*gammaaa*t11*t12*t26*t34+3.598504727726456d 528 < -2*gammaaa*t15*t23*t34+1.799252363863228d-1*gammaaa*t15*t 529 = 21*t22*t34+1.4394018910905823d-1*gammaaa*t15*t19*t20*t34+ 530 > 1.0795514183179368d-1*gammaaa*t15*t17*t18*t34+7.197009455 531 ? 452912d-2*gammaaa*t14*t15*t16*t34-1.9263326690781307d-4*t 532 @ 13*t30*t32*t33-9.631663345390654d-4*t11*t12*t30*t32*t33+1 533 1 .9263326690781307d-4*t2*t30*t31*t32-9.631663345390653d-5* 534 2 t15*t23*t30*t32-4.815831672695327d-4*t15*t21*t22*t30*t32- 535 3 3.8526653381562614d-4*t15*t19*t20*t30*t32-2.8894990036171 536 4 964d-4*t15*t17*t18*t30*t32-1.9263326690781307d-4*t14*t15* 537 5 t16*t30*t32)-2.4814019635976003d+0*t25*t28-4.135669939329 538 6 334d-1*t24/rhoa**6.666666666666666d-1)*wght+Amat2(iq,D2_R 539 7 A_RA) 540 Amat2(iq,D2_RA_RB) = Amat2(iq,D2_RA_RB) 541 Cmat2(iq,D2_RA_GAA) = (-9.305257363491002d-1*t1*(2.889499003 542 1 6171964d-4*gammaaa*t10*t33*t36*t9-7.22374750904299d-4*gam 543 2 maaa*t12*t31*t36*t9-3.925641521156134d-2*t10*t26*t27*t9+2 544 3 .167124252712897d-4*gammaaa*t33*t36*t7*t8-2.9442311408671 545 4 007d-2*t26*t27*t7*t8-2.167124252712897d-4*gammaaa*t31*t36 546 5 *t6*t8-4.334248505425794d-4*gammaaa*t10*t31*t36*t7+1.4447 547 6 495018085982d-4*gammaaa*t2*t33*t36*t6-1.962820760578067d- 548 7 2*t2*t26*t27*t6-7.22374750904299d-4*gammaaa*t19*t22*t35*t 549 8 36-4.334248505425794d-4*gammaaa*t17*t20*t35*t36-2.1671242 550 9 52712897d-4*gammaaa*t16*t18*t35*t36-7.22374750904299d-5*g 551 : ammaaa*t14*t35*t36+7.22374750904299d-5*gammaaa*t13*t33*t3 552 ; 6+3.611873754521495d-4*gammaaa*t11*t12*t33*t36-7.22374750 553 < 904299d-5*gammaaa*t2*t31*t36+3.611873754521495d-5*gammaaa 554 = *t15*t23*t36+1.8059368772607476d-4*gammaaa*t15*t21*t22*t3 555 > 6+1.4447495018085982d-4*gammaaa*t15*t19*t20*t36+1.0835621 556 ? 263564485d-4*gammaaa*t15*t17*t18*t36+7.22374750904299d-5* 557 @ gammaaa*t14*t15*t16*t36-9.814103802890335d-3*t13*t26*t27- 558 1 4.9070519014451675d-2*t11*t12*t26*t27-9.814103802890335d- 559 2 3*t15*t23*t27-4.9070519014451675d-2*t15*t21*t22*t27-3.925 560 3 641521156134d-2*t15*t19*t20*t27-2.9442311408671007d-2*t15 561 4 *t17*t18*t27-1.962820760578067d-2*t14*t15*t16*t27)-1.2407 562 5 009817988002d+0*t25*(1.4721155704335503d-2*t10*t26*t3*t9+ 563 6 1.1040866778251626d-2*t26*t3*t7*t8+7.360577852167751d-3*t 564 7 2*t26*t3*t6+3.6802889260838756d-3*t13*t26*t3+1.8401444630 565 8 419378d-2*t11*t12*t26*t3+3.6802889260838756d-3*t15*t23*t3 566 9 +1.8401444630419378d-2*t15*t21*t22*t3+1.4721155704335503d 567 : -2*t15*t19*t20*t3+1.1040866778251626d-2*t15*t17*t18*t3+7. 568 ; 360577852167751d-3*t14*t15*t16*t3))*wght+Cmat2(iq,D2_RA_G 569 < AA) 570 Cmat2(iq,D2_RA_GAB) = Cmat2(iq,D2_RA_GAB) 571 Cmat2(iq,D2_RA_GBB) = Cmat2(iq,D2_RA_GBB) 572 Cmat2(iq,D2_GAA_GAA) = Cmat2(iq,D2_GAA_GAA)-9.30525736349100 573 1 2d-1*t1*(t26*t3*(2.708905315891122d-4*t12*t26*t3*t9+8.126 574 2 715947673364d-5*t26*t3*t6*t8+1.625343189534673d-4*t10*t26 575 3 *t3*t7+2.7089053158911214d-5*t2*t26*t3)+t3*(2.70890531589 576 4 1122d-4*t19*t22*t3*t35+1.625343189534673d-4*t17*t20*t3*t3 577 5 5+8.126715947673364d-5*t16*t18*t3*t35+2.7089053158911214d 578 6 -5*t14*t3*t35-1.3544526579455607d-5*t15*t23*t3-6.77226328 579 7 9727805d-5*t15*t21*t22*t3-5.417810631782243d-5*t15*t19*t2 580 8 0*t3-4.063357973836682d-5*t15*t17*t18*t3-2.70890531589112 581 9 14d-5*t14*t15*t16*t3)-7.360577852167751d-3*t29*t33/rhoa** 582 : 5.333333333333333d+0)*wght 583 Cmat2(iq,D2_GAA_GAB) = Cmat2(iq,D2_GAA_GAB) 584 Cmat2(iq,D2_GAA_GBB) = Cmat2(iq,D2_GAA_GBB) 585 Cmat2(iq,D2_GAB_GAB) = Cmat2(iq,D2_GAB_GAB) 586 endif ! rhoa.gt.tol_rho 587 else ! ipol.eq.1 588 rhoa = rho(iq,R_A) 589 rhob = rho(iq,R_B) 590 gammaaa = rgamma(iq,G_AA) 591 gammaab = rgamma(iq,G_AB) 592 gammabb = rgamma(iq,G_BB) 593 if (rhoa.gt.tol_rho.and.rhob.gt.tol_rho) then 594 t1 = rhoa**1.3333333333333333d+0 595 t2 = param(1) 596 t3 = param(7) 597 t4 = param(3) 598 t5 = 1/rhoa**2.6666666666666666d+0 599 t6 = 3.6802889260838756d-3*gammaaa*t5 600 t7 = t6+1.0d+0 601 t8 = 1.0d+0-1.0d+0/t7 602 t9 = t8**2.0d+0 603 t10 = param(4) 604 t11 = t8**3.0d+0 605 t12 = param(5) 606 t13 = t8**4.0d+0 607 t14 = param(6) 608 t15 = param(2) 609 t16 = param(9) 610 t17 = exp(-t6) 611 t18 = 1.0d+0-t17 612 t19 = t18**2.0d+0 613 t20 = param(10) 614 t21 = t18**3.0d+0 615 t22 = param(11) 616 t23 = t18**4.0d+0 617 t24 = param(12) 618 t25 = param(8) 619 t26 = t4*t9+t14*t8**5.0d+0+t15*t8+t3+t18*t25+t18**5.0d+0*t24 620 1 +t22*t23+t20*t21+t2+t16*t19+t12*t13+t10*t11 621 t27 = rhob**1.3333333333333333d+0 622 t28 = 1/rhob**2.6666666666666666d+0 623 t29 = 3.6802889260838756d-3*gammabb*t28 624 t30 = t29+1.0d+0 625 t31 = 1.0d+0-1.0d+0/t30 626 t32 = t31**2.0d+0 627 t33 = t31**3.0d+0 628 t34 = t31**4.0d+0 629 t35 = exp(-t29) 630 t36 = 1.0d+0-t35 631 t37 = t36**2.0d+0 632 t38 = t36**3.0d+0 633 t39 = t36**4.0d+0 634 t40 = t32*t4+t22*t39+t20*t38+t16*t37+t24*t36**5.0d+0+t25*t36 635 1 +t12*t34+t10*t33+t14*t31**5.0d+0+t15*t31+t3+t2 636 t41 = rhoa**3.333333333333333d-1 637 t42 = 1/t7**2 638 t43 = 1/rhoa**3.6666666666666664d+0 639 t44 = -2.9442311408671007d-2*gammaaa*t10*t42*t43*t9-1.962820 640 1 760578067d-2*gammaaa*t4*t42*t43*t8-9.814103802890335d-3*g 641 2 ammaaa*t15*t42*t43-4.9070519014451675d-2*gammaaa*t13*t14* 642 3 t42*t43-3.925641521156134d-2*gammaaa*t11*t12*t42*t43-9.81 643 4 4103802890335d-3*gammaaa*t17*t25*t43-4.9070519014451675d- 644 5 2*gammaaa*t17*t23*t24*t43-3.925641521156134d-2*gammaaa*t1 645 6 7*t21*t22*t43-2.9442311408671007d-2*gammaaa*t17*t19*t20*t 646 7 43-1.962820760578067d-2*gammaaa*t16*t17*t18*t43 647 t45 = rhob**3.333333333333333d-1 648 t46 = 1/t30**2 649 t47 = 1/rhob**3.6666666666666664d+0 650 t48 = -1.962820760578067d-2*gammabb*t31*t4*t46*t47-4.9070519 651 1 014451675d-2*gammabb*t14*t34*t46*t47-3.925641521156134d-2 652 2 *gammabb*t12*t33*t46*t47-2.9442311408671007d-2*gammabb*t1 653 3 0*t32*t46*t47-9.814103802890335d-3*gammabb*t15*t46*t47-4. 654 4 9070519014451675d-2*gammabb*t24*t35*t39*t47-3.92564152115 655 5 6134d-2*gammabb*t22*t35*t38*t47-2.9442311408671007d-2*gam 656 6 mabb*t20*t35*t37*t47-1.962820760578067d-2*gammabb*t16*t35 657 7 *t36*t47-9.814103802890335d-3*gammabb*t25*t35*t47 658 t49 = 3.6802889260838756d-3*t15 659 t50 = 1.1040866778251626d-2*t10*t9+7.360577852167751d-3*t4*t 660 1 8+t49+1.8401444630419378d-2*t13*t14+1.4721155704335503d-2 661 2 *t11*t12 662 t51 = t49+7.360577852167751d-3*t31*t4+1.8401444630419378d-2* 663 1 t14*t34+1.4721155704335503d-2*t12*t33+1.1040866778251626d 664 2 -2*t10*t32 665 t52 = gammaaa**2 666 t53 = 1/t7**4 667 t54 = 1/rhoa**7.333333333333333d+0 668 t55 = 1/t7**3 669 t56 = 1/rhoa**4.666666666666667d+0 670 t57 = exp(-7.360577852167751d-3*gammaaa*t5) 671 t58 = gammabb**2 672 t59 = 1/t30**4 673 t60 = 1/rhob**7.333333333333333d+0 674 t61 = 1/t30**3 675 t62 = 1/rhob**4.666666666666667d+0 676 t63 = exp(-7.360577852167751d-3*gammabb*t28) 677 t64 = 1/rhoa**6.333333333333333d+0 678 t65 = 1/rhob**6.333333333333333d+0 679 fnc(iq) = (-9.305257363491002d-1*t27*t40-9.305257363491002d- 680 1 1*t1*t26)*wght+fnc(iq) 681 Amat(iq,D1_RA) = (-9.305257363491002d-1*t1*t44-1.24070098179 682 1 88002d+0*t26*t41)*wght+Amat(iq,D1_RA) 683 Amat(iq,D1_RB) = (-9.305257363491002d-1*t27*t48-1.2407009817 684 1 988002d+0*t40*t45)*wght+Amat(iq,D1_RB) 685 Cmat(iq,D1_GAA) = Cmat(iq,D1_GAA)-9.305257363491002d-1*t1*(t 686 1 42*t5*t50+(3.6802889260838756d-3*t17*t25+1.84014446304193 687 2 78d-2*t17*t23*t24+1.4721155704335503d-2*t17*t21*t22+1.104 688 3 0866778251626d-2*t17*t19*t20+7.360577852167751d-3*t16*t17 689 4 *t18)*t5)*wght 690 Cmat(iq,D1_GAB) = Cmat(iq,D1_GAB) 691 Cmat(iq,D1_GBB) = Cmat(iq,D1_GBB)-9.305257363491002d-1*t27*( 692 1 t28*t46*t51+t28*(1.8401444630419378d-2*t24*t35*t39+1.4721 693 2 155704335503d-2*t22*t35*t38+1.1040866778251626d-2*t20*t35 694 3 *t37+7.360577852167751d-3*t16*t35*t36+3.6802889260838756d 695 4 -3*t25*t35))*wght 696 Amat2(iq,D2_RA_RA) = (-9.305257363491002d-1*t1*(1.0795514183 697 1 179368d-1*gammaaa*t10*t42*t56*t9-5.778998007234393d-4*t10 698 2 *t52*t54*t55*t9+1.1557996014468785d-3*t12*t52*t53*t54*t9+ 699 3 7.197009455452912d-2*gammaaa*t4*t42*t56*t8-3.852665338156 700 4 2614d-4*t4*t52*t54*t55*t8+5.778998007234393d-4*t10*t52*t5 701 5 3*t54*t8+1.9263326690781307d-3*t21*t24*t52*t54*t57+1.1557 702 6 996014468785d-3*t19*t22*t52*t54*t57+5.778998007234393d-4* 703 7 t18*t20*t52*t54*t57+1.9263326690781307d-4*t16*t52*t54*t57 704 8 +3.598504727726456d-2*gammaaa*t15*t42*t56+1.7992523638632 705 9 28d-1*gammaaa*t13*t14*t42*t56+1.4394018910905823d-1*gamma 706 : aa*t11*t12*t42*t56+3.598504727726456d-2*gammaaa*t17*t25*t 707 ; 56+1.799252363863228d-1*gammaaa*t17*t23*t24*t56+1.4394018 708 < 910905823d-1*gammaaa*t17*t21*t22*t56+1.0795514183179368d- 709 = 1*gammaaa*t17*t19*t20*t56+7.197009455452912d-2*gammaaa*t1 710 > 6*t17*t18*t56-1.9263326690781307d-4*t15*t52*t54*t55-9.631 711 ? 663345390654d-4*t13*t14*t52*t54*t55-7.705330676312523d-4* 712 @ t11*t12*t52*t54*t55+1.9263326690781307d-4*t4*t52*t53*t54+ 713 1 1.9263326690781307d-3*t11*t14*t52*t53*t54-9.6316633453906 714 2 53d-5*t17*t25*t52*t54-4.815831672695327d-4*t17*t23*t24*t5 715 3 2*t54-3.8526653381562614d-4*t17*t21*t22*t52*t54-2.8894990 716 4 036171964d-4*t17*t19*t20*t52*t54-1.9263326690781307d-4*t1 717 5 6*t17*t18*t52*t54)-2.4814019635976003d+0*t41*t44-4.135669 718 6 939329334d-1*t26/rhoa**6.666666666666666d-1)*wght+Amat2(i 719 7 q,D2_RA_RA) 720 Amat2(iq,D2_RA_RB) = Amat2(iq,D2_RA_RB) 721 Amat2(iq,D2_RB_RB) = (-9.305257363491002d-1*t27*(1.926332669 722 1 0781307d-3*t24*t38*t58*t60*t63+1.1557996014468785d-3*t22* 723 2 t37*t58*t60*t63+5.778998007234393d-4*t20*t36*t58*t60*t63+ 724 3 1.9263326690781307d-4*t16*t58*t60*t63+7.197009455452912d- 725 4 2*gammabb*t31*t4*t46*t62+1.799252363863228d-1*gammabb*t14 726 5 *t34*t46*t62+1.4394018910905823d-1*gammabb*t12*t33*t46*t6 727 6 2+1.0795514183179368d-1*gammabb*t10*t32*t46*t62+3.5985047 728 7 27726456d-2*gammabb*t15*t46*t62+1.799252363863228d-1*gamm 729 8 abb*t24*t35*t39*t62+1.4394018910905823d-1*gammabb*t22*t35 730 9 *t38*t62+1.0795514183179368d-1*gammabb*t20*t35*t37*t62+7. 731 : 197009455452912d-2*gammabb*t16*t35*t36*t62+3.598504727726 732 ; 456d-2*gammabb*t25*t35*t62-3.8526653381562614d-4*t31*t4*t 733 < 58*t60*t61-9.631663345390654d-4*t14*t34*t58*t60*t61-7.705 734 = 330676312523d-4*t12*t33*t58*t60*t61-5.778998007234393d-4* 735 > t10*t32*t58*t60*t61-1.9263326690781307d-4*t15*t58*t60*t61 736 ? +1.9263326690781307d-4*t4*t58*t59*t60+1.9263326690781307d 737 @ -3*t14*t33*t58*t59*t60+1.1557996014468785d-3*t12*t32*t58* 738 1 t59*t60+5.778998007234393d-4*t10*t31*t58*t59*t60-4.815831 739 2 672695327d-4*t24*t35*t39*t58*t60-3.8526653381562614d-4*t2 740 3 2*t35*t38*t58*t60-2.8894990036171964d-4*t20*t35*t37*t58*t 741 4 60-1.9263326690781307d-4*t16*t35*t36*t58*t60-9.6316633453 742 5 90653d-5*t25*t35*t58*t60)-2.4814019635976003d+0*t45*t48-4 743 6 .135669939329334d-1*t40/rhob**6.666666666666666d-1)*wght+ 744 7 Amat2(iq,D2_RB_RB) 745 Cmat2(iq,D2_RA_GAA) = (-9.305257363491002d-1*t1*(2.167124252 746 1 712897d-4*gammaaa*t10*t55*t64*t9-4.334248505425794d-4*gam 747 2 maaa*t12*t53*t64*t9-2.9442311408671007d-2*t10*t42*t43*t9+ 748 3 1.4447495018085982d-4*gammaaa*t4*t55*t64*t8-2.16712425271 749 4 2897d-4*gammaaa*t10*t53*t64*t8-1.962820760578067d-2*t4*t4 750 5 2*t43*t8-7.22374750904299d-4*gammaaa*t21*t24*t57*t64-4.33 751 6 4248505425794d-4*gammaaa*t19*t22*t57*t64-2.16712425271289 752 7 7d-4*gammaaa*t18*t20*t57*t64-7.22374750904299d-5*gammaaa* 753 8 t16*t57*t64+7.22374750904299d-5*gammaaa*t15*t55*t64+3.611 754 9 873754521495d-4*gammaaa*t13*t14*t55*t64+2.889499003617196 755 : 4d-4*gammaaa*t11*t12*t55*t64-7.22374750904299d-5*gammaaa* 756 ; t4*t53*t64-7.22374750904299d-4*gammaaa*t11*t14*t53*t64+3. 757 < 611873754521495d-5*gammaaa*t17*t25*t64+1.8059368772607476 758 = d-4*gammaaa*t17*t23*t24*t64+1.4447495018085982d-4*gammaaa 759 > *t17*t21*t22*t64+1.0835621263564485d-4*gammaaa*t17*t19*t2 760 ? 0*t64+7.22374750904299d-5*gammaaa*t16*t17*t18*t64-9.81410 761 @ 3802890335d-3*t15*t42*t43-4.9070519014451675d-2*t13*t14*t 762 1 42*t43-3.925641521156134d-2*t11*t12*t42*t43-9.81410380289 763 2 0335d-3*t17*t25*t43-4.9070519014451675d-2*t17*t23*t24*t43 764 3 -3.925641521156134d-2*t17*t21*t22*t43-2.9442311408671007d 765 4 -2*t17*t19*t20*t43-1.962820760578067d-2*t16*t17*t18*t43)- 766 5 1.2407009817988002d+0*t41*(1.1040866778251626d-2*t10*t42* 767 6 t5*t9+7.360577852167751d-3*t4*t42*t5*t8+3.680288926083875 768 7 6d-3*t15*t42*t5+1.8401444630419378d-2*t13*t14*t42*t5+1.47 769 8 21155704335503d-2*t11*t12*t42*t5+3.6802889260838756d-3*t1 770 9 7*t25*t5+1.8401444630419378d-2*t17*t23*t24*t5+1.472115570 771 : 4335503d-2*t17*t21*t22*t5+1.1040866778251626d-2*t17*t19*t 772 ; 20*t5+7.360577852167751d-3*t16*t17*t18*t5))*wght+Cmat2(iq 773 < ,D2_RA_GAA) 774 Cmat2(iq,D2_RA_GAB) = Cmat2(iq,D2_RA_GAB) 775 Cmat2(iq,D2_RA_GBB) = Cmat2(iq,D2_RA_GBB) 776 Cmat2(iq,D2_RB_GAA) = Cmat2(iq,D2_RB_GAA) 777 Cmat2(iq,D2_RB_GAB) = Cmat2(iq,D2_RB_GAB) 778 Cmat2(iq,D2_RB_GBB) = (-9.305257363491002d-1*t27*(-7.2237475 779 1 0904299d-4*gammabb*t24*t38*t63*t65-4.334248505425794d-4*g 780 2 ammabb*t22*t37*t63*t65-2.167124252712897d-4*gammabb*t20*t 781 3 36*t63*t65-7.22374750904299d-5*gammabb*t16*t63*t65+1.4447 782 4 495018085982d-4*gammabb*t31*t4*t61*t65+3.611873754521495d 783 5 -4*gammabb*t14*t34*t61*t65+2.8894990036171964d-4*gammabb* 784 6 t12*t33*t61*t65+2.167124252712897d-4*gammabb*t10*t32*t61* 785 7 t65+7.22374750904299d-5*gammabb*t15*t61*t65-7.22374750904 786 8 299d-5*gammabb*t4*t59*t65-7.22374750904299d-4*gammabb*t14 787 9 *t33*t59*t65-4.334248505425794d-4*gammabb*t12*t32*t59*t65 788 : -2.167124252712897d-4*gammabb*t10*t31*t59*t65+1.805936877 789 ; 2607476d-4*gammabb*t24*t35*t39*t65+1.4447495018085982d-4* 790 < gammabb*t22*t35*t38*t65+1.0835621263564485d-4*gammabb*t20 791 = *t35*t37*t65+7.22374750904299d-5*gammabb*t16*t35*t36*t65+ 792 > 3.611873754521495d-5*gammabb*t25*t35*t65-1.96282076057806 793 ? 7d-2*t31*t4*t46*t47-4.9070519014451675d-2*t14*t34*t46*t47 794 @ -3.925641521156134d-2*t12*t33*t46*t47-2.9442311408671007d 795 1 -2*t10*t32*t46*t47-9.814103802890335d-3*t15*t46*t47-4.907 796 2 0519014451675d-2*t24*t35*t39*t47-3.925641521156134d-2*t22 797 3 *t35*t38*t47-2.9442311408671007d-2*t20*t35*t37*t47-1.9628 798 4 20760578067d-2*t16*t35*t36*t47-9.814103802890335d-3*t25*t 799 5 35*t47)-1.2407009817988002d+0*t45*(7.360577852167751d-3*t 800 6 28*t31*t4*t46+1.8401444630419378d-2*t14*t28*t34*t46+1.472 801 7 1155704335503d-2*t12*t28*t33*t46+1.1040866778251626d-2*t1 802 8 0*t28*t32*t46+3.6802889260838756d-3*t15*t28*t46+1.8401444 803 9 630419378d-2*t24*t28*t35*t39+1.4721155704335503d-2*t22*t2 804 : 8*t35*t38+1.1040866778251626d-2*t20*t28*t35*t37+7.3605778 805 ; 52167751d-3*t16*t28*t35*t36+3.6802889260838756d-3*t25*t28 806 < *t35))*wght+Cmat2(iq,D2_RB_GBB) 807 Cmat2(iq,D2_GAA_GAA) = Cmat2(iq,D2_GAA_GAA)-9.30525736349100 808 1 2d-1*t1*(t42*t5*(1.625343189534673d-4*t12*t42*t5*t9+8.126 809 2 715947673364d-5*t10*t42*t5*t8+2.7089053158911214d-5*t4*t4 810 3 2*t5+2.708905315891122d-4*t11*t14*t42*t5)+t5*(2.708905315 811 4 891122d-4*t21*t24*t5*t57+1.625343189534673d-4*t19*t22*t5* 812 5 t57+8.126715947673364d-5*t18*t20*t5*t57+2.708905315891121 813 6 4d-5*t16*t5*t57-1.3544526579455607d-5*t17*t25*t5-6.772263 814 7 289727805d-5*t17*t23*t24*t5-5.417810631782243d-5*t17*t21* 815 8 t22*t5-4.063357973836682d-5*t17*t19*t20*t5-2.708905315891 816 9 1214d-5*t16*t17*t18*t5)-7.360577852167751d-3*t50*t55/rhoa 817 : **5.333333333333333d+0)*wght 818 Cmat2(iq,D2_GAA_GAB) = Cmat2(iq,D2_GAA_GAB) 819 Cmat2(iq,D2_GAA_GBB) = Cmat2(iq,D2_GAA_GBB) 820 Cmat2(iq,D2_GAB_GAB) = Cmat2(iq,D2_GAB_GAB) 821 Cmat2(iq,D2_GAB_GBB) = Cmat2(iq,D2_GAB_GBB) 822 Cmat2(iq,D2_GBB_GBB) = Cmat2(iq,D2_GBB_GBB)-9.30525736349100 823 1 2d-1*t27*(t28*(2.708905315891122d-4*t24*t28*t38*t63+1.625 824 2 343189534673d-4*t22*t28*t37*t63+8.126715947673364d-5*t20* 825 3 t28*t36*t63+2.7089053158911214d-5*t16*t28*t63-6.772263289 826 4 727805d-5*t24*t28*t35*t39-5.417810631782243d-5*t22*t28*t3 827 5 5*t38-4.063357973836682d-5*t20*t28*t35*t37-2.708905315891 828 6 1214d-5*t16*t28*t35*t36-1.3544526579455607d-5*t25*t28*t35 829 7 )-7.360577852167751d-3*t51*t61/rhob**5.333333333333333d+0 830 8 +t28*t46*(2.7089053158911214d-5*t28*t4*t46+2.708905315891 831 9 122d-4*t14*t28*t33*t46+1.625343189534673d-4*t12*t28*t32*t 832 : 46+8.126715947673364d-5*t10*t28*t31*t46))*wght 833 elseif (rhoa.gt.tol_rho.and.rhob.le.tol_rho) then 834 t1 = rhoa**1.3333333333333333d+0 835 t2 = param(3) 836 t3 = 1/rhoa**2.6666666666666666d+0 837 t4 = 3.6802889260838756d-3*gammaaa*t3 838 t5 = t4+1.0d+0 839 t6 = 1.0d+0-1.0d+0/t5 840 t7 = t6**2.0d+0 841 t8 = param(4) 842 t9 = t6**3.0d+0 843 t10 = param(5) 844 t11 = t6**4.0d+0 845 t12 = param(6) 846 t13 = param(2) 847 t14 = param(9) 848 t15 = exp(-t4) 849 t16 = 1.0d+0-t15 850 t17 = t16**2.0d+0 851 t18 = param(10) 852 t19 = t16**3.0d+0 853 t20 = param(11) 854 t21 = t16**4.0d+0 855 t22 = param(12) 856 t23 = param(8) 857 t24 = t8*t9+t2*t7+t12*t6**5.0d+0+t13*t6+t16*t23+t16**5.0d+0* 858 1 t22+t20*t21+t18*t19+t14*t17+t10*t11+param(7)+param(1) 859 t25 = rhoa**3.333333333333333d-1 860 t26 = 1/t5**2 861 t27 = 1/rhoa**3.6666666666666664d+0 862 t28 = -3.925641521156134d-2*gammaaa*t10*t26*t27*t9-2.9442311 863 1 408671007d-2*gammaaa*t26*t27*t7*t8-1.962820760578067d-2*g 864 2 ammaaa*t2*t26*t27*t6-9.814103802890335d-3*gammaaa*t13*t26 865 3 *t27-4.9070519014451675d-2*gammaaa*t11*t12*t26*t27-9.8141 866 4 03802890335d-3*gammaaa*t15*t23*t27-4.9070519014451675d-2* 867 5 gammaaa*t15*t21*t22*t27-3.925641521156134d-2*gammaaa*t15* 868 6 t19*t20*t27-2.9442311408671007d-2*gammaaa*t15*t17*t18*t27 869 7 -1.962820760578067d-2*gammaaa*t14*t15*t16*t27 870 t29 = 1.4721155704335503d-2*t10*t9+1.1040866778251626d-2*t7* 871 1 t8+7.360577852167751d-3*t2*t6+3.6802889260838756d-3*t13+1 872 2 .8401444630419378d-2*t11*t12 873 t30 = gammaaa**2 874 t31 = 1/t5**4 875 t32 = 1/rhoa**7.333333333333333d+0 876 t33 = 1/t5**3 877 t34 = 1/rhoa**4.666666666666667d+0 878 t35 = exp(-7.360577852167751d-3*gammaaa*t3) 879 t36 = 1/rhoa**6.333333333333333d+0 880 fnc(iq) = fnc(iq)-9.305257363491002d-1*t1*t24*wght 881 Amat(iq,D1_RA) = -9.305257363491002d-1*t1*t28*wght-1.2407009 882 1 817988002d+0*t24*t25*wght+Amat(iq,D1_RA) 883 Cmat(iq,D1_GAA) = Cmat(iq,D1_GAA)-9.305257363491002d-1*t1*(t 884 1 26*t29*t3+(3.6802889260838756d-3*t15*t23+1.84014446304193 885 2 78d-2*t15*t21*t22+1.4721155704335503d-2*t15*t19*t20+1.104 886 3 0866778251626d-2*t15*t17*t18+7.360577852167751d-3*t14*t15 887 4 *t16)*t3)*wght 888 Amat2(iq,D2_RA_RA) = -9.305257363491002d-1*t1*(1.43940189109 889 1 05823d-1*gammaaa*t10*t26*t34*t9-7.705330676312523d-4*t10* 890 2 t30*t32*t33*t9+1.9263326690781307d-3*t12*t30*t31*t32*t9+1 891 3 .0795514183179368d-1*gammaaa*t26*t34*t7*t8-5.778998007234 892 4 393d-4*t30*t32*t33*t7*t8+5.778998007234393d-4*t30*t31*t32 893 5 *t6*t8+1.1557996014468785d-3*t10*t30*t31*t32*t7+7.1970094 894 6 55452912d-2*gammaaa*t2*t26*t34*t6-3.8526653381562614d-4*t 895 7 2*t30*t32*t33*t6+1.9263326690781307d-3*t19*t22*t30*t32*t3 896 8 5+1.1557996014468785d-3*t17*t20*t30*t32*t35+5.77899800723 897 9 4393d-4*t16*t18*t30*t32*t35+1.9263326690781307d-4*t14*t30 898 : *t32*t35+3.598504727726456d-2*gammaaa*t13*t26*t34+1.79925 899 ; 2363863228d-1*gammaaa*t11*t12*t26*t34+3.598504727726456d- 900 < 2*gammaaa*t15*t23*t34+1.799252363863228d-1*gammaaa*t15*t2 901 = 1*t22*t34+1.4394018910905823d-1*gammaaa*t15*t19*t20*t34+1 902 > .0795514183179368d-1*gammaaa*t15*t17*t18*t34+7.1970094554 903 ? 52912d-2*gammaaa*t14*t15*t16*t34-1.9263326690781307d-4*t1 904 @ 3*t30*t32*t33-9.631663345390654d-4*t11*t12*t30*t32*t33+1. 905 1 9263326690781307d-4*t2*t30*t31*t32-9.631663345390653d-5*t 906 2 15*t23*t30*t32-4.815831672695327d-4*t15*t21*t22*t30*t32-3 907 3 .8526653381562614d-4*t15*t19*t20*t30*t32-2.88949900361719 908 4 64d-4*t15*t17*t18*t30*t32-1.9263326690781307d-4*t14*t15*t 909 5 16*t30*t32)*wght-2.4814019635976003d+0*t25*t28*wght-4.135 910 6 669939329334d-1*t24*wght/rhoa**6.666666666666666d-1+Amat2 911 7 (iq,D2_RA_RA) 912 Cmat2(iq,D2_RA_GAA) = -9.305257363491002d-1*t1*(2.8894990036 913 1 171964d-4*gammaaa*t10*t33*t36*t9-7.22374750904299d-4*gamm 914 2 aaa*t12*t31*t36*t9-3.925641521156134d-2*t10*t26*t27*t9+2. 915 3 167124252712897d-4*gammaaa*t33*t36*t7*t8-2.94423114086710 916 4 07d-2*t26*t27*t7*t8-2.167124252712897d-4*gammaaa*t31*t36* 917 5 t6*t8-4.334248505425794d-4*gammaaa*t10*t31*t36*t7+1.44474 918 6 95018085982d-4*gammaaa*t2*t33*t36*t6-1.962820760578067d-2 919 7 *t2*t26*t27*t6-7.22374750904299d-4*gammaaa*t19*t22*t35*t3 920 8 6-4.334248505425794d-4*gammaaa*t17*t20*t35*t36-2.16712425 921 9 2712897d-4*gammaaa*t16*t18*t35*t36-7.22374750904299d-5*ga 922 : mmaaa*t14*t35*t36+7.22374750904299d-5*gammaaa*t13*t33*t36 923 ; +3.611873754521495d-4*gammaaa*t11*t12*t33*t36-7.223747509 924 < 04299d-5*gammaaa*t2*t31*t36+3.611873754521495d-5*gammaaa* 925 = t15*t23*t36+1.8059368772607476d-4*gammaaa*t15*t21*t22*t36 926 > +1.4447495018085982d-4*gammaaa*t15*t19*t20*t36+1.08356212 927 ? 63564485d-4*gammaaa*t15*t17*t18*t36+7.22374750904299d-5*g 928 @ ammaaa*t14*t15*t16*t36-9.814103802890335d-3*t13*t26*t27-4 929 1 .9070519014451675d-2*t11*t12*t26*t27-9.814103802890335d-3 930 2 *t15*t23*t27-4.9070519014451675d-2*t15*t21*t22*t27-3.9256 931 3 41521156134d-2*t15*t19*t20*t27-2.9442311408671007d-2*t15* 932 4 t17*t18*t27-1.962820760578067d-2*t14*t15*t16*t27)*wght-1. 933 5 2407009817988002d+0*t25*(1.4721155704335503d-2*t10*t26*t3 934 6 *t9+1.1040866778251626d-2*t26*t3*t7*t8+7.360577852167751d 935 7 -3*t2*t26*t3*t6+3.6802889260838756d-3*t13*t26*t3+1.840144 936 8 4630419378d-2*t11*t12*t26*t3+3.6802889260838756d-3*t15*t2 937 9 3*t3+1.8401444630419378d-2*t15*t21*t22*t3+1.4721155704335 938 : 503d-2*t15*t19*t20*t3+1.1040866778251626d-2*t15*t17*t18*t 939 ; 3+7.360577852167751d-3*t14*t15*t16*t3)*wght+Cmat2(iq,D2_R 940 < A_GAA) 941 Cmat2(iq,D2_GAA_GAA) = Cmat2(iq,D2_GAA_GAA)-9.30525736349100 942 1 2d-1*t1*(t26*t3*(2.708905315891122d-4*t12*t26*t3*t9+8.126 943 2 715947673364d-5*t26*t3*t6*t8+1.625343189534673d-4*t10*t26 944 3 *t3*t7+2.7089053158911214d-5*t2*t26*t3)+t3*(2.70890531589 945 4 1122d-4*t19*t22*t3*t35+1.625343189534673d-4*t17*t20*t3*t3 946 5 5+8.126715947673364d-5*t16*t18*t3*t35+2.7089053158911214d 947 6 -5*t14*t3*t35-1.3544526579455607d-5*t15*t23*t3-6.77226328 948 7 9727805d-5*t15*t21*t22*t3-5.417810631782243d-5*t15*t19*t2 949 8 0*t3-4.063357973836682d-5*t15*t17*t18*t3-2.70890531589112 950 9 14d-5*t14*t15*t16*t3)-7.360577852167751d-3*t29*t33/rhoa** 951 : 5.333333333333333d+0)*wght 952 elseif (rhoa.le.tol_rho.and.rhob.gt.tol_rho) then 953 t1 = rhob**1.3333333333333333d+0 954 t2 = param(3) 955 t3 = 1/rhob**2.6666666666666666d+0 956 t4 = 3.6802889260838756d-3*gammabb*t3 957 t5 = t4+1.0d+0 958 t6 = 1.0d+0-1.0d+0/t5 959 t7 = t6**2.0d+0 960 t8 = param(4) 961 t9 = t6**3.0d+0 962 t10 = param(5) 963 t11 = t6**4.0d+0 964 t12 = param(6) 965 t13 = param(2) 966 t14 = param(9) 967 t15 = exp(-t4) 968 t16 = 1.0d+0-t15 969 t17 = t16**2.0d+0 970 t18 = param(10) 971 t19 = t16**3.0d+0 972 t20 = param(11) 973 t21 = t16**4.0d+0 974 t22 = param(12) 975 t23 = param(8) 976 t24 = t8*t9+t2*t7+t12*t6**5.0d+0+t13*t6+t16*t23+t16**5.0d+0* 977 1 t22+t20*t21+t18*t19+t14*t17+t10*t11+param(7)+param(1) 978 t25 = rhob**3.333333333333333d-1 979 t26 = 1/t5**2 980 t27 = 1/rhob**3.6666666666666664d+0 981 t28 = -3.925641521156134d-2*gammabb*t10*t26*t27*t9-2.9442311 982 1 408671007d-2*gammabb*t26*t27*t7*t8-1.962820760578067d-2*g 983 2 ammabb*t2*t26*t27*t6-9.814103802890335d-3*gammabb*t13*t26 984 3 *t27-4.9070519014451675d-2*gammabb*t11*t12*t26*t27-9.8141 985 4 03802890335d-3*gammabb*t15*t23*t27-4.9070519014451675d-2* 986 5 gammabb*t15*t21*t22*t27-3.925641521156134d-2*gammabb*t15* 987 6 t19*t20*t27-2.9442311408671007d-2*gammabb*t15*t17*t18*t27 988 7 -1.962820760578067d-2*gammabb*t14*t15*t16*t27 989 t29 = 1.4721155704335503d-2*t10*t9+1.1040866778251626d-2*t7* 990 1 t8+7.360577852167751d-3*t2*t6+3.6802889260838756d-3*t13+1 991 2 .8401444630419378d-2*t11*t12 992 t30 = gammabb**2 993 t31 = 1/t5**4 994 t32 = 1/rhob**7.333333333333333d+0 995 t33 = 1/t5**3 996 t34 = 1/rhob**4.666666666666667d+0 997 t35 = exp(-7.360577852167751d-3*gammabb*t3) 998 t36 = 1/rhob**6.333333333333333d+0 999 fnc(iq) = fnc(iq)-9.305257363491002d-1*t1*t24*wght 1000 Amat(iq,D1_RB) = -9.305257363491002d-1*t1*t28*wght-1.2407009 1001 1 817988002d+0*t24*t25*wght+Amat(iq,D1_RB) 1002 Cmat(iq,D1_GBB) = Cmat(iq,D1_GBB)-9.305257363491002d-1*t1*(t 1003 1 26*t29*t3+(3.6802889260838756d-3*t15*t23+1.84014446304193 1004 2 78d-2*t15*t21*t22+1.4721155704335503d-2*t15*t19*t20+1.104 1005 3 0866778251626d-2*t15*t17*t18+7.360577852167751d-3*t14*t15 1006 4 *t16)*t3)*wght 1007 Amat2(iq,D2_RB_RB) = -9.305257363491002d-1*t1*(1.43940189109 1008 1 05823d-1*gammabb*t10*t26*t34*t9-7.705330676312523d-4*t10* 1009 2 t30*t32*t33*t9+1.9263326690781307d-3*t12*t30*t31*t32*t9+1 1010 3 .0795514183179368d-1*gammabb*t26*t34*t7*t8-5.778998007234 1011 4 393d-4*t30*t32*t33*t7*t8+5.778998007234393d-4*t30*t31*t32 1012 5 *t6*t8+1.1557996014468785d-3*t10*t30*t31*t32*t7+7.1970094 1013 6 55452912d-2*gammabb*t2*t26*t34*t6-3.8526653381562614d-4*t 1014 7 2*t30*t32*t33*t6+1.9263326690781307d-3*t19*t22*t30*t32*t3 1015 8 5+1.1557996014468785d-3*t17*t20*t30*t32*t35+5.77899800723 1016 9 4393d-4*t16*t18*t30*t32*t35+1.9263326690781307d-4*t14*t30 1017 : *t32*t35+3.598504727726456d-2*gammabb*t13*t26*t34+1.79925 1018 ; 2363863228d-1*gammabb*t11*t12*t26*t34+3.598504727726456d- 1019 < 2*gammabb*t15*t23*t34+1.799252363863228d-1*gammabb*t15*t2 1020 = 1*t22*t34+1.4394018910905823d-1*gammabb*t15*t19*t20*t34+1 1021 > .0795514183179368d-1*gammabb*t15*t17*t18*t34+7.1970094554 1022 ? 52912d-2*gammabb*t14*t15*t16*t34-1.9263326690781307d-4*t1 1023 @ 3*t30*t32*t33-9.631663345390654d-4*t11*t12*t30*t32*t33+1. 1024 1 9263326690781307d-4*t2*t30*t31*t32-9.631663345390653d-5*t 1025 2 15*t23*t30*t32-4.815831672695327d-4*t15*t21*t22*t30*t32-3 1026 3 .8526653381562614d-4*t15*t19*t20*t30*t32-2.88949900361719 1027 4 64d-4*t15*t17*t18*t30*t32-1.9263326690781307d-4*t14*t15*t 1028 5 16*t30*t32)*wght-2.4814019635976003d+0*t25*t28*wght-4.135 1029 6 669939329334d-1*t24*wght/rhob**6.666666666666666d-1+Amat2 1030 7 (iq,D2_RB_RB) 1031 Cmat2(iq,D2_RB_GBB) = -9.305257363491002d-1*t1*(2.8894990036 1032 1 171964d-4*gammabb*t10*t33*t36*t9-7.22374750904299d-4*gamm 1033 2 abb*t12*t31*t36*t9-3.925641521156134d-2*t10*t26*t27*t9+2. 1034 3 167124252712897d-4*gammabb*t33*t36*t7*t8-2.94423114086710 1035 4 07d-2*t26*t27*t7*t8-2.167124252712897d-4*gammabb*t31*t36* 1036 5 t6*t8-4.334248505425794d-4*gammabb*t10*t31*t36*t7+1.44474 1037 6 95018085982d-4*gammabb*t2*t33*t36*t6-1.962820760578067d-2 1038 7 *t2*t26*t27*t6-7.22374750904299d-4*gammabb*t19*t22*t35*t3 1039 8 6-4.334248505425794d-4*gammabb*t17*t20*t35*t36-2.16712425 1040 9 2712897d-4*gammabb*t16*t18*t35*t36-7.22374750904299d-5*ga 1041 : mmabb*t14*t35*t36+7.22374750904299d-5*gammabb*t13*t33*t36 1042 ; +3.611873754521495d-4*gammabb*t11*t12*t33*t36-7.223747509 1043 < 04299d-5*gammabb*t2*t31*t36+3.611873754521495d-5*gammabb* 1044 = t15*t23*t36+1.8059368772607476d-4*gammabb*t15*t21*t22*t36 1045 > +1.4447495018085982d-4*gammabb*t15*t19*t20*t36+1.08356212 1046 ? 63564485d-4*gammabb*t15*t17*t18*t36+7.22374750904299d-5*g 1047 @ ammabb*t14*t15*t16*t36-9.814103802890335d-3*t13*t26*t27-4 1048 1 .9070519014451675d-2*t11*t12*t26*t27-9.814103802890335d-3 1049 2 *t15*t23*t27-4.9070519014451675d-2*t15*t21*t22*t27-3.9256 1050 3 41521156134d-2*t15*t19*t20*t27-2.9442311408671007d-2*t15* 1051 4 t17*t18*t27-1.962820760578067d-2*t14*t15*t16*t27)*wght-1. 1052 5 2407009817988002d+0*t25*(1.4721155704335503d-2*t10*t26*t3 1053 6 *t9+1.1040866778251626d-2*t26*t3*t7*t8+7.360577852167751d 1054 7 -3*t2*t26*t3*t6+3.6802889260838756d-3*t13*t26*t3+1.840144 1055 8 4630419378d-2*t11*t12*t26*t3+3.6802889260838756d-3*t15*t2 1056 9 3*t3+1.8401444630419378d-2*t15*t21*t22*t3+1.4721155704335 1057 : 503d-2*t15*t19*t20*t3+1.1040866778251626d-2*t15*t17*t18*t 1058 ; 3+7.360577852167751d-3*t14*t15*t16*t3)*wght+Cmat2(iq,D2_R 1059 < B_GBB) 1060 Cmat2(iq,D2_GBB_GBB) = Cmat2(iq,D2_GBB_GBB)-9.30525736349100 1061 1 2d-1*t1*(t26*t3*(2.708905315891122d-4*t12*t26*t3*t9+8.126 1062 2 715947673364d-5*t26*t3*t6*t8+1.625343189534673d-4*t10*t26 1063 3 *t3*t7+2.7089053158911214d-5*t2*t26*t3)+t3*(2.70890531589 1064 4 1122d-4*t19*t22*t3*t35+1.625343189534673d-4*t17*t20*t3*t3 1065 5 5+8.126715947673364d-5*t16*t18*t3*t35+2.7089053158911214d 1066 6 -5*t14*t3*t35-1.3544526579455607d-5*t15*t23*t3-6.77226328 1067 7 9727805d-5*t15*t21*t22*t3-5.417810631782243d-5*t15*t19*t2 1068 8 0*t3-4.063357973836682d-5*t15*t17*t18*t3-2.70890531589112 1069 9 14d-5*t14*t15*t16*t3)-7.360577852167751d-3*t29*t33/rhob** 1070 : 5.333333333333333d+0)*wght 1071 endif ! rhoa.gt.tol_rho.and.rhob.gt.tol_rho 1072 endif ! ipol.eq.1 1073 enddo ! iq 1074 end 1075C> 1076C> \brief Evaluate the nwxcm_x_sogga functional [1] 1077C> 1078C> \f{eqnarray*}{ 1079C> {\it t_1} &=& {\it param}\left(1\right)\\\\ 1080C> {\it t_2} &=& {\it param}\left(7\right)\\\\ 1081C> {\it t_3} &=& {\it param}\left(2\right)\\\\ 1082C> {\it t_4} &=& {{0.003680288926083876\, 1083C> \sigma_{\alpha\alpha}}\over{\rho_\alpha^{{{8}\over{3}}}}}\\\\ 1084C> {\it t_5} &=& 1.0-{{1.0}\over{{\it t_4}+1.0}}\\\\ 1085C> {\it t_6} &=& {\it param}\left(3\right)\\\\ 1086C> {\it t_7} &=& {\it param}\left(4\right)\\\\ 1087C> {\it t_8} &=& {\it param}\left(5\right)\\\\ 1088C> {\it t_9} &=& {\it param}\left(6\right)\\\\ 1089C> {\it t_{10}} &=& {\it param}\left(9\right)\\\\ 1090C> {\it t_{11}} &=& 1.0-{{1}\over{e^{{\it t_4}}}}\\\\ 1091C> {\it t_{12}} &=& {\it param}\left(10\right)\\\\ 1092C> {\it t_{13}} &=& {\it param}\left(11\right)\\\\ 1093C> {\it t_{14}} &=& {\it param}\left(12\right)\\\\ 1094C> {\it t_{15}} &=& {\it param}\left(8\right)\\\\ 1095C> {\it t_{16}} &=& {{0.003680288926083876\, 1096C> \sigma_{\beta\beta}}\over{\rho_\beta^{{{8}\over{3}}}}}\\\\ 1097C> {\it t_{17}} &=& 1.0-{{1.0}\over{{\it t_{16}}+1.0}}\\\\ 1098C> {\it t_{18}} &=& 1.0-{{1}\over{e^{{\it t_{16}}}}}\\\\ 1099C> {\it t_{19}} &=& {{0.003680288926083876\,\sigma_{ss}} 1100C> \over{\rho_s^{{{8}\over{3}}}}}\\\\ 1101C> {\it t_{20}} &=& 1.0-{{1.0}\over{{\it t_{19}}+1.0}}\\\\ 1102C> {\it t_{21}} &=& 1.0-{{1}\over{e^{{\it t_{19}}}}}\\\\ 1103C> f &=& -0.9305257363491002\,\rho_\beta^{{{4}\over{3}}}\, 1104C> \left({\it t_{15}}\,{\it t_{18}}+{\it t_{14}}\,{ 1105C> \it t_{18}}^{5.0}+{\it t_{13}}\,{\it t_{18}}^{4.0}+{ 1106C> \it t_{12}}\,{\it t_{18}}^{3.0}+{\it t_{10}}\,{\it t_{18}}^{2.0} 1107C> +{\it t_9}\,{\it t_{17}}^{5.0}+{\it t_8}\,{\it t_{17}}^{4.0} 1108C> +{\it t_7}\,{\it t_{17}}^{3.0}+{\it t_6}\,{\it t_{17}}^{2.0} 1109C> +{\it t_3}\,{\it t_{17}}+{\it t_2}+{\it t_1}\right) 1110C> -0.9305257363491002\,\rho_\alpha^{{{4}\over{3}}}\,\left({ 1111C> \it t_{15}}\,{\it t_{11}}+{\it t_{14}}\,{\it t_{11}}^{5.0}+{ 1112C> \it t_{13}}\,{\it t_{11}}^{4.0}+{\it t_{12}}\,{\it t_{11}}^{3.0} 1113C> +{\it t_{10}}\,{\it t_{11}}^{2.0}+{\it t_9}\,{\it t_5}^{5.0} 1114C> +{\it t_8}\,{\it t_5}^{4.0}+{\it t_7}\,{\it t_5}^{3.0}+{ 1115C> \it t_6}\,{\it t_5}^{2.0}+{\it t_3}\,{\it t_5}+{\it t_2}+{ 1116C> \it t_1}\right)\\\\ 1117C> g &=& 0\\\\ 1118C> G &=& -0.9305257363491002\,\rho_s^{{{4}\over{3}}}\,\left({ 1119C> \it t_{15}}\,{\it t_{21}}+{\it t_{14}}\,{\it t_{21}}^{5.0}+{ 1120C> \it t_{13}}\,{\it t_{21}}^{4.0}+{\it t_{12}}\,{\it t_{21}}^{3.0} 1121C> +{\it t_{10}}\,{\it t_{21}}^{2.0}+{\it t_9}\,{\it t_{20}}^{5.0} 1122C> +{\it t_8}\,{\it t_{20}}^{4.0}+{\it t_7}\,{\it t_{20}}^{3.0} 1123C> +{\it t_6}\,{\it t_{20}}^{2.0}+{\it t_3}\,{\it t_{20}}+{\it t_2} 1124C> +{\it t_1}\right)\\\\ 1125C> \f} 1126C> 1127C> Code generated with Maxima 5.34.0 [2] 1128C> driven by autoxc [3]. 1129C> 1130C> ### References ### 1131C> 1132C> [1] Y Zhao, DG Truhlar, J.Chem.Phys. 128, 184109 (2008) , DOI: 1133C> <a href="https://doi.org/10.1063/1.2912068 "> 1134C> 10.1063/1.2912068 </a> 1135C> 1136C> [2] Maxima, a computer algebra system, 1137C> <a href="http://maxima.sourceforge.net/"> 1138C> http://maxima.sourceforge.net/</a> 1139C> 1140C> [3] autoxc, revision 27097 2015-05-08 1141C> 1142 subroutine nwxcm_x_sogga_d3(param,tol_rho,ipol,nq,wght, 1143 +rho,rgamma,fnc,Amat,Amat2,Amat3, 1144 +Cmat,Cmat2,Cmat3) 1145c $Id: $ 1146#ifdef NWXC_QUAD_PREC 1147 implicit real(kind=selected_real_kind(30))(a-h,o-z),integer(i-n) 1148 integer, parameter :: rk=selected_real_kind(30) 1149#else 1150 implicit real(kind=selected_real_kind(15))(a-h,o-z),integer(i-n) 1151 integer, parameter :: rk=selected_real_kind(15) 1152#endif 1153#include "nwxc_param.fh" 1154 double precision param(*) !< [Input] Parameters of functional 1155 double precision tol_rho !< [Input] The lower limit on the density 1156 integer ipol !< [Input] The number of spin channels 1157 integer nq !< [Input] The number of points 1158 double precision wght !< [Input] The weight of the functional 1159 double precision rho(nq,*) !< [Input] The density 1160 double precision rgamma(nq,*) !< [Input] The norm of the density 1161 !< gradients 1162 double precision fnc(nq) !< [Output] The value of the functional 1163c 1164c Sampling Matrices for the XC Kernel 1165c 1166 double precision Amat(nq,*) !< [Output] The derivative wrt rho 1167 double precision Cmat(nq,*) !< [Output] The derivative wrt rgamma 1168c 1169c Sampling Matrices for the XC Kernel 1170c 1171 double precision Amat2(nq,*) !< [Output] The 2nd derivative wrt rho 1172 double precision Cmat2(nq,*) !< [Output] The 2nd derivative wrt rgamma 1173 !< and possibly rho 1174c 1175c Sampling Matrices for the XC Kernel 1176c 1177 double precision Amat3(nq,*) !< [Output] The 3rd derivative wrt rho 1178 double precision Cmat3(nq,*) !< [Output] The 3rd derivative wrt rgamma 1179 !< and possibly rho 1180 integer iq 1181 double precision tmp 1182 double precision rhoa,rhob 1183 double precision gammaaa,gammaab,gammabb 1184 double precision taua,taub 1185 double precision nwxcm_heaviside 1186 external nwxcm_heaviside 1187CDIR$ NOVECTOR 1188 do iq = 1, nq 1189 if (ipol.eq.1) then 1190 rhoa = 0.5d0*rho(iq,R_T) 1191 gammaaa = 0.25d0*rgamma(iq,G_TT) 1192 if (rhoa.gt.tol_rho) then 1193 t1 = rhoa**1.3333333333333333d+0 1194 t2 = param(3) 1195 t3 = 1/rhoa**2.6666666666666666d+0 1196 t4 = 3.6802889260838756d-3*gammaaa*t3 1197 t5 = t4+1.0d+0 1198 t6 = 1.0d+0-1.0d+0/t5 1199 t7 = t6**2.0d+0 1200 t8 = param(4) 1201 t9 = t6**3.0d+0 1202 t10 = param(5) 1203 t11 = t6**4.0d+0 1204 t12 = param(6) 1205 t13 = param(2) 1206 t14 = param(9) 1207 t15 = exp(-t4) 1208 t16 = 1.0d+0-t15 1209 t17 = t16**2.0d+0 1210 t18 = param(10) 1211 t19 = t16**3.0d+0 1212 t20 = param(11) 1213 t21 = t16**4.0d+0 1214 t22 = param(12) 1215 t23 = param(8) 1216 t24 = t8*t9+t2*t7+t12*t6**5.0d+0+t13*t6+t16*t23+t16**5.0d+0* 1217 1 t22+t20*t21+t18*t19+t14*t17+t10*t11+param(7)+param(1) 1218 t25 = rhoa**3.333333333333333d-1 1219 t26 = 1/t5**2 1220 t27 = 1/rhoa**3.6666666666666664d+0 1221 t28 = -3.925641521156134d-2*gammaaa*t10*t26*t27*t9-2.9442311 1222 1 408671007d-2*gammaaa*t26*t27*t7*t8-1.962820760578067d-2*g 1223 2 ammaaa*t2*t26*t27*t6-9.814103802890335d-3*gammaaa*t13*t26 1224 3 *t27-4.9070519014451675d-2*gammaaa*t11*t12*t26*t27-9.8141 1225 4 03802890335d-3*gammaaa*t15*t23*t27-4.9070519014451675d-2* 1226 5 gammaaa*t15*t21*t22*t27-3.925641521156134d-2*gammaaa*t15* 1227 6 t19*t20*t27-2.9442311408671007d-2*gammaaa*t15*t17*t18*t27 1228 7 -1.962820760578067d-2*gammaaa*t14*t15*t16*t27 1229 t29 = 1.4721155704335503d-2*t10*t9+1.1040866778251626d-2*t7* 1230 1 t8+7.360577852167751d-3*t2*t6+3.6802889260838756d-3*t13+1 1231 2 .8401444630419378d-2*t11*t12 1232 t30 = 1/rhoa**6.666666666666666d-1 1233 t31 = gammaaa**2 1234 t32 = 1/t5**4 1235 t33 = 1/rhoa**7.333333333333333d+0 1236 t34 = 1/t5**3 1237 t35 = 1/rhoa**4.666666666666667d+0 1238 t36 = exp(-7.360577852167751d-3*gammaaa*t3) 1239 t37 = 1.4394018910905823d-1*gammaaa*t10*t26*t35*t9-7.7053306 1240 1 76312523d-4*t10*t31*t33*t34*t9+1.9263326690781307d-3*t12* 1241 2 t31*t32*t33*t9+1.0795514183179368d-1*gammaaa*t26*t35*t7*t 1242 3 8-5.778998007234393d-4*t31*t33*t34*t7*t8+5.77899800723439 1243 4 3d-4*t31*t32*t33*t6*t8+1.1557996014468785d-3*t10*t31*t32* 1244 5 t33*t7+7.197009455452912d-2*gammaaa*t2*t26*t35*t6-3.85266 1245 6 53381562614d-4*t2*t31*t33*t34*t6+1.9263326690781307d-3*t1 1246 7 9*t22*t31*t33*t36+1.1557996014468785d-3*t17*t20*t31*t33*t 1247 8 36+5.778998007234393d-4*t16*t18*t31*t33*t36+1.92633266907 1248 9 81307d-4*t14*t31*t33*t36+3.598504727726456d-2*gammaaa*t13 1249 : *t26*t35+1.799252363863228d-1*gammaaa*t11*t12*t26*t35+3.5 1250 ; 98504727726456d-2*gammaaa*t15*t23*t35+1.799252363863228d- 1251 < 1*gammaaa*t15*t21*t22*t35+1.4394018910905823d-1*gammaaa*t 1252 = 15*t19*t20*t35+1.0795514183179368d-1*gammaaa*t15*t17*t18* 1253 > t35+7.197009455452912d-2*gammaaa*t14*t15*t16*t35-1.926332 1254 ? 6690781307d-4*t13*t31*t33*t34-9.631663345390654d-4*t11*t1 1255 @ 2*t31*t33*t34+1.9263326690781307d-4*t2*t31*t32*t33-9.6316 1256 1 63345390653d-5*t15*t23*t31*t33-4.815831672695327d-4*t15*t 1257 2 21*t22*t31*t33-3.8526653381562614d-4*t15*t19*t20*t31*t33- 1258 3 2.8894990036171964d-4*t15*t17*t18*t31*t33-1.9263326690781 1259 4 307d-4*t14*t15*t16*t31*t33 1260 t38 = 1/rhoa**6.333333333333333d+0 1261 t39 = 2.8894990036171964d-4*gammaaa*t10*t34*t38*t9-7.2237475 1262 1 0904299d-4*gammaaa*t12*t32*t38*t9-3.925641521156134d-2*t1 1263 2 0*t26*t27*t9+2.167124252712897d-4*gammaaa*t34*t38*t7*t8-2 1264 3 .9442311408671007d-2*t26*t27*t7*t8-2.167124252712897d-4*g 1265 4 ammaaa*t32*t38*t6*t8-4.334248505425794d-4*gammaaa*t10*t32 1266 5 *t38*t7+1.4447495018085982d-4*gammaaa*t2*t34*t38*t6-1.962 1267 6 820760578067d-2*t2*t26*t27*t6-7.22374750904299d-4*gammaaa 1268 7 *t19*t22*t36*t38-4.334248505425794d-4*gammaaa*t17*t20*t36 1269 8 *t38-2.167124252712897d-4*gammaaa*t16*t18*t36*t38-7.22374 1270 9 750904299d-5*gammaaa*t14*t36*t38+7.22374750904299d-5*gamm 1271 : aaa*t13*t34*t38+3.611873754521495d-4*gammaaa*t11*t12*t34* 1272 ; t38-7.22374750904299d-5*gammaaa*t2*t32*t38+3.611873754521 1273 < 495d-5*gammaaa*t15*t23*t38+1.8059368772607476d-4*gammaaa* 1274 = t15*t21*t22*t38+1.4447495018085982d-4*gammaaa*t15*t19*t20 1275 > *t38+1.0835621263564485d-4*gammaaa*t15*t17*t18*t38+7.2237 1276 ? 4750904299d-5*gammaaa*t14*t15*t16*t38-9.814103802890335d- 1277 @ 3*t13*t26*t27-4.9070519014451675d-2*t11*t12*t26*t27-9.814 1278 1 103802890335d-3*t15*t23*t27-4.9070519014451675d-2*t15*t21 1279 2 *t22*t27-3.925641521156134d-2*t15*t19*t20*t27-2.944231140 1280 3 8671007d-2*t15*t17*t18*t27-1.962820760578067d-2*t14*t15*t 1281 4 16*t27 1282 t40 = 1.4721155704335503d-2*t10*t26*t3*t9+1.1040866778251626 1283 1 d-2*t26*t3*t7*t8+7.360577852167751d-3*t2*t26*t3*t6+3.6802 1284 2 889260838756d-3*t13*t26*t3+1.8401444630419378d-2*t11*t12* 1285 3 t26*t3+3.6802889260838756d-3*t15*t23*t3+1.840144463041937 1286 4 8d-2*t15*t21*t22*t3+1.4721155704335503d-2*t15*t19*t20*t3+ 1287 5 1.1040866778251626d-2*t15*t17*t18*t3+7.360577852167751d-3 1288 6 *t14*t15*t16*t3 1289 t41 = 1/rhoa**5.333333333333333d+0 1290 t42 = 2.708905315891122d-4*t12*t26*t3*t9+8.126715947673364d- 1291 1 5*t26*t3*t6*t8+1.625343189534673d-4*t10*t26*t3*t7+2.70890 1292 2 53158911214d-5*t2*t26*t3 1293 t43 = gammaaa**3 1294 t44 = 1/t5**6 1295 t45 = 1/rhoa**11 1296 t46 = 1/t5**5 1297 t47 = 1/rhoa**8.333333333333334d+0 1298 t48 = 1/rhoa**5.666666666666667d+0 1299 t49 = exp(-1.1040866778251626d-2*gammaaa*t3) 1300 t50 = 1/rhoa**10 1301 t51 = 1/rhoa**9 1302 fnc(iq) = fnc(iq)-1.8610514726982003d+0*t1*t24*wght 1303 Amat(iq,D1_RA) = (-9.305257363491002d-1*t1*t28-1.24070098179 1304 1 88002d+0*t24*t25)*wght+Amat(iq,D1_RA) 1305 Cmat(iq,D1_GAA) = Cmat(iq,D1_GAA)-9.305257363491002d-1*t1*(t 1306 1 26*t29*t3+(3.6802889260838756d-3*t15*t23+1.84014446304193 1307 2 78d-2*t15*t21*t22+1.4721155704335503d-2*t15*t19*t20+1.104 1308 3 0866778251626d-2*t15*t17*t18+7.360577852167751d-3*t14*t15 1309 4 *t16)*t3)*wght 1310 Cmat(iq,D1_GAB) = Cmat(iq,D1_GAB) 1311 Amat2(iq,D2_RA_RA) = (-9.305257363491002d-1*t1*t37-4.1356699 1312 1 39329334d-1*t24*t30-2.4814019635976003d+0*t25*t28)*wght+A 1313 2 mat2(iq,D2_RA_RA) 1314 Amat2(iq,D2_RA_RB) = Amat2(iq,D2_RA_RB) 1315 Cmat2(iq,D2_RA_GAA) = (-1.2407009817988002d+0*t25*t40-9.3052 1316 1 57363491002d-1*t1*t39)*wght+Cmat2(iq,D2_RA_GAA) 1317 Cmat2(iq,D2_RA_GAB) = Cmat2(iq,D2_RA_GAB) 1318 Cmat2(iq,D2_RA_GBB) = Cmat2(iq,D2_RA_GBB) 1319 Cmat2(iq,D2_GAA_GAA) = Cmat2(iq,D2_GAA_GAA)-9.30525736349100 1320 1 2d-1*t1*(t26*t3*t42-7.360577852167751d-3*t29*t34*t41+t3*( 1321 2 2.708905315891122d-4*t19*t22*t3*t36+1.625343189534673d-4* 1322 3 t17*t20*t3*t36+8.126715947673364d-5*t16*t18*t3*t36+2.7089 1323 4 053158911214d-5*t14*t3*t36-1.3544526579455607d-5*t15*t23* 1324 5 t3-6.772263289727805d-5*t15*t21*t22*t3-5.417810631782243d 1325 6 -5*t15*t19*t20*t3-4.063357973836682d-5*t15*t17*t18*t3-2.7 1326 7 089053158911214d-5*t14*t15*t16*t3))*wght 1327 Cmat2(iq,D2_GAA_GAB) = Cmat2(iq,D2_GAA_GAB) 1328 Cmat2(iq,D2_GAA_GBB) = Cmat2(iq,D2_GAA_GBB) 1329 Cmat2(iq,D2_GAB_GAB) = Cmat2(iq,D2_GAB_GAB) 1330 Amat3(iq,D3_RA_RA_RA) = (-9.305257363491002d-1*t1*(-6.717208 1331 1 825089385d-1*gammaaa*t10*t26*t48*t9+8.475863743943775d-3* 1332 2 t10*t31*t34*t47*t9-2.1189659359859436d-2*t12*t31*t32*t47* 1333 3 t9+1.1343137263938945d-4*t12*t43*t45*t46*t9-2.26862745278 1334 4 77887d-5*t10*t32*t43*t45*t9-5.037906618817038d-1*gammaaa* 1335 5 t26*t48*t7*t8+6.356897807957831d-3*t31*t34*t47*t7*t8-1.70 1336 6 14705895908416d-5*t32*t43*t45*t7*t8-6.356897807957831d-3* 1337 7 t31*t32*t47*t6*t8+3.4029411791816827d-5*t43*t45*t46*t6*t8 1338 8 -5.671568631969471d-6*t43*t44*t45*t8-1.2713795615915663d- 1339 9 2*t10*t31*t32*t47*t7+6.805882358363365d-5*t10*t43*t45*t46 1340 : *t7-5.671568631969472d-5*t12*t43*t44*t45*t7-3.35860441254 1341 ; 46923d-1*gammaaa*t2*t26*t48*t6+4.237931871971887d-3*t2*t3 1342 < 1*t34*t47*t6-2.2686274527877887d-5*t10*t43*t44*t45*t6-1.1 1343 = 343137263938943d-5*t2*t32*t43*t45*t6-5.671568631969472d-5 1344 > *t17*t22*t43*t45*t49-2.2686274527877887d-5*t16*t20*t43*t4 1345 ? 5*t49-5.671568631969471d-6*t18*t43*t45*t49-1.679302206272 1346 @ 3462d-1*gammaaa*t13*t26*t48-8.396511031361731d-1*gammaaa* 1347 1 t11*t12*t26*t48-1.6793022062723462d-1*gammaaa*t15*t23*t48 1348 2 -8.396511031361731d-1*gammaaa*t15*t21*t22*t48-6.717208825 1349 3 089385d-1*gammaaa*t15*t19*t20*t48-5.037906618817038d-1*ga 1350 4 mmaaa*t15*t17*t18*t48-3.3586044125446923d-1*gammaaa*t14*t 1351 5 15*t16*t48-2.1189659359859436d-2*t19*t22*t31*t36*t47-1.27 1352 6 13795615915663d-2*t17*t20*t31*t36*t47-6.356897807957831d- 1353 7 3*t16*t18*t31*t36*t47-2.1189659359859436d-3*t14*t31*t36*t 1354 8 47+2.1189659359859436d-3*t13*t31*t34*t47+1.05948296799297 1355 9 18d-2*t11*t12*t31*t34*t47-2.1189659359859436d-3*t2*t31*t3 1356 : 2*t47+1.0594829679929718d-3*t15*t23*t31*t47+5.29741483996 1357 ; 4859d-3*t15*t21*t22*t31*t47+4.237931871971887d-3*t15*t19* 1358 < t20*t31*t47+3.1784489039789154d-3*t15*t17*t18*t31*t47+2.1 1359 = 189659359859436d-3*t14*t15*t16*t31*t47+1.1343137263938943 1360 > d-5*t2*t43*t45*t46+5.671568631969472d-5*t19*t22*t36*t43*t 1361 ? 45+3.4029411791816827d-5*t17*t20*t36*t43*t45+1.7014705895 1362 @ 908414d-5*t16*t18*t36*t43*t45+5.671568631969471d-6*t14*t3 1363 1 6*t43*t45-5.671568631969471d-6*t13*t32*t43*t45-2.83578431 1364 2 5984736d-5*t11*t12*t32*t43*t45-9.452614386615786d-7*t15*t 1365 3 23*t43*t45-4.726307193307893d-6*t15*t21*t22*t43*t45-3.781 1366 4 0457546463144d-6*t15*t19*t20*t43*t45-2.8357843159847357d- 1367 5 6*t15*t17*t18*t43*t45-1.8905228773231572d-6*t14*t15*t16*t 1368 6 43*t45)-3.7221029453964005d+0*t25*t37-1.2407009817988002d 1369 7 +0*t28*t30+2.7571132928862224d-1*t24/rhoa**1.666666666666 1370 8 6669d+0)*wght+Amat3(iq,D3_RA_RA_RA) 1371 Amat3(iq,D3_RA_RA_RB) = Amat3(iq,D3_RA_RA_RB) 1372 Cmat3(iq,D3_RA_RA_GAA) = (-9.305257363491002d-1*t1*(-4.25367 1373 1 64739771044d-5*t12*t31*t46*t50*t9+8.507352947954206d-6*t1 1374 2 0*t31*t32*t50*t9+1.4394018910905823d-1*t10*t26*t35*t9-2.6 1375 3 00549103255476d-3*gammaaa*t10*t33*t34*t9+6.50137275813869 1376 4 d-3*gammaaa*t12*t32*t33*t9+6.380514710965656d-6*t31*t32*t 1377 5 50*t7*t8+1.0795514183179368d-1*t26*t35*t7*t8-1.9504118274 1378 6 416074d-3*gammaaa*t33*t34*t7*t8-1.2761029421931314d-5*t31 1379 7 *t46*t50*t6*t8+1.9504118274416074d-3*gammaaa*t32*t33*t6*t 1380 8 8+2.1268382369885522d-6*t31*t44*t50*t8-2.552205884386262d 1381 9 -5*t10*t31*t46*t50*t7+2.1268382369885516d-5*t12*t31*t44*t 1382 : 50*t7+3.900823654883215d-3*gammaaa*t10*t32*t33*t7+8.50735 1383 ; 2947954209d-6*t10*t31*t44*t50*t6+4.253676473977103d-6*t2* 1384 < t31*t32*t50*t6+7.197009455452912d-2*t2*t26*t35*t6-1.30027 1385 = 4551627738d-3*gammaaa*t2*t33*t34*t6+2.1268382369885516d-5 1386 > *t17*t22*t31*t49*t50+8.507352947954209d-6*t16*t20*t31*t49 1387 ? *t50+2.1268382369885522d-6*t18*t31*t49*t50-4.253676473977 1388 @ 103d-6*t2*t31*t46*t50-2.1268382369885522d-5*t19*t22*t31*t 1389 1 36*t50-1.276102942193131d-5*t17*t20*t31*t36*t50-6.3805147 1390 2 10965657d-6*t16*t18*t31*t36*t50-2.1268382369885516d-6*t14 1391 3 *t31*t36*t50+2.1268382369885516d-6*t13*t31*t32*t50+1.0634 1392 4 191184942758d-5*t11*t12*t31*t32*t50+3.54473039498092d-7*t 1393 5 15*t23*t31*t50+1.77236519749046d-6*t15*t21*t22*t31*t50+1. 1394 6 4178921579923678d-6*t15*t19*t20*t31*t50+1.063419118494276 1395 7 1d-6*t15*t17*t18*t31*t50+7.08946078996184d-7*t14*t15*t16* 1396 8 t31*t50+6.50137275813869d-3*gammaaa*t19*t22*t33*t36+3.900 1397 9 823654883215d-3*gammaaa*t17*t20*t33*t36+1.950411827441607 1398 : 4d-3*gammaaa*t16*t18*t33*t36+6.501372758138692d-4*gammaaa 1399 ; *t14*t33*t36+3.598504727726456d-2*t13*t26*t35+1.799252363 1400 < 863228d-1*t11*t12*t26*t35+3.598504727726456d-2*t15*t23*t3 1401 = 5+1.799252363863228d-1*t15*t21*t22*t35+1.4394018910905823 1402 > d-1*t15*t19*t20*t35+1.0795514183179368d-1*t15*t17*t18*t35 1403 ? +7.197009455452912d-2*t14*t15*t16*t35-6.501372758138692d- 1404 @ 4*gammaaa*t13*t33*t34-3.250686379069345d-3*gammaaa*t11*t1 1405 1 2*t33*t34+6.501372758138692d-4*gammaaa*t2*t32*t33-3.25068 1406 2 6379069346d-4*gammaaa*t15*t23*t33-1.6253431895346726d-3*g 1407 3 ammaaa*t15*t21*t22*t33-1.300274551627738d-3*gammaaa*t15*t 1408 4 19*t20*t33-9.752059137208037d-4*gammaaa*t15*t17*t18*t33-6 1409 5 .501372758138692d-4*gammaaa*t14*t15*t16*t33)-4.1356699393 1410 6 29334d-1*t30*t40-2.4814019635976003d+0*t25*t39)*wght+Cmat 1411 7 3(iq,D3_RA_RA_GAA) 1412 Cmat3(iq,D3_RA_RA_GAB) = Cmat3(iq,D3_RA_RA_GAB) 1413 Cmat3(iq,D3_RA_RA_GBB) = Cmat3(iq,D3_RA_RA_GBB) 1414 Cmat3(iq,D3_RA_RB_GAA) = Cmat3(iq,D3_RA_RB_GAA) 1415 Cmat3(iq,D3_RA_RB_GAB) = Cmat3(iq,D3_RA_RB_GAB) 1416 Cmat3(iq,D3_RA_GAA_GAA) = (-9.305257363491002d-1*t1*(1.59512 1417 1 8677741414d-5*gammaaa*t12*t46*t51*t9-3.190257355482828d-6 1418 2 *gammaaa*t10*t32*t51*t9+5.778998007234393d-4*t10*t34*t38* 1419 3 t9-1.4447495018085982d-3*t12*t32*t38*t9-2.392693016612120 1420 4 7d-6*gammaaa*t32*t51*t7*t8+4.334248505425794d-4*t34*t38*t 1421 5 7*t8+4.785386033224242d-6*gammaaa*t46*t51*t6*t8-4.3342485 1422 6 05425794d-4*t32*t38*t6*t8-7.97564338870707d-7*gammaaa*t44 1423 7 *t51*t8+9.570772066448484d-6*gammaaa*t10*t46*t51*t7-7.975 1424 8 64338870707d-6*gammaaa*t12*t44*t51*t7-8.668497010851588d- 1425 9 4*t10*t32*t38*t7-3.190257355482828d-6*gammaaa*t10*t44*t51 1426 : *t6-1.595128677741414d-6*gammaaa*t2*t32*t51*t6+2.88949900 1427 ; 36171964d-4*t2*t34*t38*t6-7.97564338870707d-6*gammaaa*t17 1428 < *t22*t49*t51-3.190257355482828d-6*gammaaa*t16*t20*t49*t51 1429 = -7.97564338870707d-7*gammaaa*t18*t49*t51+1.59512867774141 1430 > 42d-6*gammaaa*t2*t46*t51+7.97564338870707d-6*gammaaa*t19* 1431 ? t22*t36*t51+4.785386033224242d-6*gammaaa*t17*t20*t36*t51+ 1432 @ 2.392693016612121d-6*gammaaa*t16*t18*t36*t51+7.9756433887 1433 1 07071d-7*gammaaa*t14*t36*t51-7.97564338870707d-7*gammaaa* 1434 2 t13*t32*t51-3.987821694353535d-6*gammaaa*t11*t12*t32*t51- 1435 3 1.329273898117845d-7*gammaaa*t15*t23*t51-6.64636949058922 1436 4 6d-7*gammaaa*t15*t21*t22*t51-5.31709559247138d-7*gammaaa* 1437 5 t15*t19*t20*t51-3.987821694353535d-7*gammaaa*t15*t17*t18* 1438 6 t51-2.65854779623569d-7*gammaaa*t14*t15*t16*t51-1.4447495 1439 7 018085982d-3*t19*t22*t36*t38-8.668497010851588d-4*t17*t20 1440 8 *t36*t38-4.334248505425794d-4*t16*t18*t36*t38-1.444749501 1441 9 8085982d-4*t14*t36*t38+1.4447495018085982d-4*t13*t34*t38+ 1442 : 7.22374750904299d-4*t11*t12*t34*t38-1.4447495018085982d-4 1443 ; *t2*t32*t38+7.22374750904299d-5*t15*t23*t38+3.61187375452 1444 < 1495d-4*t15*t21*t22*t38+2.8894990036171964d-4*t15*t19*t20 1445 = *t38+2.167124252712897d-4*t15*t17*t18*t38+1.4447495018085 1446 > 982d-4*t14*t15*t16*t38)-1.2407009817988002d+0*t25*(-1.083 1447 ? 5621263564485d-4*t10*t34*t41*t9+2.708905315891122d-4*t12* 1448 @ t32*t41*t9-8.126715947673364d-5*t34*t41*t7*t8+8.126715947 1449 1 673364d-5*t32*t41*t6*t8+1.625343189534673d-4*t10*t32*t41* 1450 2 t7-5.417810631782243d-5*t2*t34*t41*t6+2.708905315891122d- 1451 3 4*t19*t22*t36*t41+1.625343189534673d-4*t17*t20*t36*t41+8. 1452 4 126715947673364d-5*t16*t18*t36*t41+2.7089053158911214d-5* 1453 5 t14*t36*t41-2.7089053158911214d-5*t13*t34*t41-1.354452657 1454 6 945561d-4*t11*t12*t34*t41+2.7089053158911214d-5*t2*t32*t4 1455 7 1-1.3544526579455607d-5*t15*t23*t41-6.772263289727805d-5* 1456 8 t15*t21*t22*t41-5.417810631782243d-5*t15*t19*t20*t41-4.06 1457 9 3357973836682d-5*t15*t17*t18*t41-2.7089053158911214d-5*t1 1458 : 4*t15*t16*t41))*wght+Cmat3(iq,D3_RA_GAA_GAA) 1459 Cmat3(iq,D3_RA_GAA_GAB) = Cmat3(iq,D3_RA_GAA_GAB) 1460 Cmat3(iq,D3_RA_GAA_GBB) = Cmat3(iq,D3_RA_GAA_GBB) 1461 Cmat3(iq,D3_RA_GAB_GAB) = Cmat3(iq,D3_RA_GAB_GAB) 1462 Cmat3(iq,D3_RA_GAB_GBB) = Cmat3(iq,D3_RA_GAB_GBB) 1463 Cmat3(iq,D3_RA_GBB_GBB) = Cmat3(iq,D3_RA_GBB_GBB) 1464 Cmat3(iq,D3_GAA_GAA_GAA) = Cmat3(iq,D3_GAA_GAA_GAA)-9.305257 1465 1 363491002d-1*t1*(t26*t3*(-1.9939108471767675d-6*t12*t34*t 1466 2 41*t9-5.981732541530301d-7*t34*t41*t6*t8+2.99086627076515 1467 3 07d-7*t32*t41*t8-1.1963465083060604d-6*t10*t34*t41*t7+2.9 1468 4 90866270765151d-6*t12*t32*t41*t7+1.1963465083060604d-6*t1 1469 5 0*t32*t41*t6-1.9939108471767675d-7*t2*t34*t41)+t3*(2.9908 1470 6 66270765151d-6*t17*t22*t41*t49+1.1963465083060604d-6*t16* 1471 7 t20*t41*t49+2.9908662707651507d-7*t18*t41*t49-2.990866270 1472 8 765151d-6*t19*t22*t36*t41-1.7945197624590903d-6*t17*t20*t 1473 9 36*t41-8.972598812295453d-7*t16*t18*t36*t41-2.99086627076 1474 : 5151d-7*t14*t36*t41+4.9847771179419187d-8*t15*t23*t41+2.4 1475 ; 923885589709593d-7*t15*t21*t22*t41+1.9939108471767675d-7* 1476 < t15*t19*t20*t41+1.4954331353825753d-7*t15*t17*t18*t41+9.9 1477 = 69554235883837d-8*t14*t15*t16*t41)-1.4721155704335503d-2* 1478 > t34*t41*t42+8.126715947673364d-5*t29*t32/rhoa**8)*wght 1479 Cmat3(iq,D3_GAA_GAA_GAB) = Cmat3(iq,D3_GAA_GAA_GAB) 1480 Cmat3(iq,D3_GAA_GAA_GBB) = Cmat3(iq,D3_GAA_GAA_GBB) 1481 Cmat3(iq,D3_GAA_GAB_GAB) = Cmat3(iq,D3_GAA_GAB_GAB) 1482 Cmat3(iq,D3_GAA_GAB_GBB) = Cmat3(iq,D3_GAA_GAB_GBB) 1483 Cmat3(iq,D3_GAB_GAB_GAB) = Cmat3(iq,D3_GAB_GAB_GAB) 1484 endif ! rhoa.gt.tol_rho 1485 else ! ipol.eq.1 1486 rhoa = rho(iq,R_A) 1487 rhob = rho(iq,R_B) 1488 gammaaa = rgamma(iq,G_AA) 1489 gammaab = rgamma(iq,G_AB) 1490 gammabb = rgamma(iq,G_BB) 1491 if (rhoa.gt.tol_rho.and.rhob.gt.tol_rho) then 1492 t1 = rhoa**1.3333333333333333d+0 1493 t2 = param(1) 1494 t3 = param(7) 1495 t4 = param(3) 1496 t5 = 1/rhoa**2.6666666666666666d+0 1497 t6 = 3.6802889260838756d-3*gammaaa*t5 1498 t7 = t6+1.0d+0 1499 t8 = 1.0d+0-1.0d+0/t7 1500 t9 = t8**2.0d+0 1501 t10 = param(4) 1502 t11 = t8**3.0d+0 1503 t12 = param(5) 1504 t13 = t8**4.0d+0 1505 t14 = param(6) 1506 t15 = param(2) 1507 t16 = param(9) 1508 t17 = exp(-t6) 1509 t18 = 1.0d+0-t17 1510 t19 = t18**2.0d+0 1511 t20 = param(10) 1512 t21 = t18**3.0d+0 1513 t22 = param(11) 1514 t23 = t18**4.0d+0 1515 t24 = param(12) 1516 t25 = param(8) 1517 t26 = t4*t9+t14*t8**5.0d+0+t15*t8+t3+t18*t25+t18**5.0d+0*t24 1518 1 +t22*t23+t20*t21+t2+t16*t19+t12*t13+t10*t11 1519 t27 = rhob**1.3333333333333333d+0 1520 t28 = 1/rhob**2.6666666666666666d+0 1521 t29 = 3.6802889260838756d-3*gammabb*t28 1522 t30 = t29+1.0d+0 1523 t31 = 1.0d+0-1.0d+0/t30 1524 t32 = t31**2.0d+0 1525 t33 = t31**3.0d+0 1526 t34 = t31**4.0d+0 1527 t35 = exp(-t29) 1528 t36 = 1.0d+0-t35 1529 t37 = t36**2.0d+0 1530 t38 = t36**3.0d+0 1531 t39 = t36**4.0d+0 1532 t40 = t32*t4+t22*t39+t20*t38+t16*t37+t24*t36**5.0d+0+t25*t36 1533 1 +t12*t34+t10*t33+t14*t31**5.0d+0+t15*t31+t3+t2 1534 t41 = rhoa**3.333333333333333d-1 1535 t42 = 1/t7**2 1536 t43 = 1/rhoa**3.6666666666666664d+0 1537 t44 = -2.9442311408671007d-2*gammaaa*t10*t42*t43*t9-1.962820 1538 1 760578067d-2*gammaaa*t4*t42*t43*t8-9.814103802890335d-3*g 1539 2 ammaaa*t15*t42*t43-4.9070519014451675d-2*gammaaa*t13*t14* 1540 3 t42*t43-3.925641521156134d-2*gammaaa*t11*t12*t42*t43-9.81 1541 4 4103802890335d-3*gammaaa*t17*t25*t43-4.9070519014451675d- 1542 5 2*gammaaa*t17*t23*t24*t43-3.925641521156134d-2*gammaaa*t1 1543 6 7*t21*t22*t43-2.9442311408671007d-2*gammaaa*t17*t19*t20*t 1544 7 43-1.962820760578067d-2*gammaaa*t16*t17*t18*t43 1545 t45 = rhob**3.333333333333333d-1 1546 t46 = 1/t30**2 1547 t47 = 1/rhob**3.6666666666666664d+0 1548 t48 = -1.962820760578067d-2*gammabb*t31*t4*t46*t47-4.9070519 1549 1 014451675d-2*gammabb*t14*t34*t46*t47-3.925641521156134d-2 1550 2 *gammabb*t12*t33*t46*t47-2.9442311408671007d-2*gammabb*t1 1551 3 0*t32*t46*t47-9.814103802890335d-3*gammabb*t15*t46*t47-4. 1552 4 9070519014451675d-2*gammabb*t24*t35*t39*t47-3.92564152115 1553 5 6134d-2*gammabb*t22*t35*t38*t47-2.9442311408671007d-2*gam 1554 6 mabb*t20*t35*t37*t47-1.962820760578067d-2*gammabb*t16*t35 1555 7 *t36*t47-9.814103802890335d-3*gammabb*t25*t35*t47 1556 t49 = 3.6802889260838756d-3*t15 1557 t50 = 1.1040866778251626d-2*t10*t9+7.360577852167751d-3*t4*t 1558 1 8+t49+1.8401444630419378d-2*t13*t14+1.4721155704335503d-2 1559 2 *t11*t12 1560 t51 = t49+7.360577852167751d-3*t31*t4+1.8401444630419378d-2* 1561 1 t14*t34+1.4721155704335503d-2*t12*t33+1.1040866778251626d 1562 2 -2*t10*t32 1563 t52 = 1/rhoa**6.666666666666666d-1 1564 t53 = gammaaa**2 1565 t54 = 1/t7**4 1566 t55 = 1/rhoa**7.333333333333333d+0 1567 t56 = 1/t7**3 1568 t57 = 1/rhoa**4.666666666666667d+0 1569 t58 = exp(-7.360577852167751d-3*gammaaa*t5) 1570 t59 = 1.0795514183179368d-1*gammaaa*t10*t42*t57*t9-5.7789980 1571 1 07234393d-4*t10*t53*t55*t56*t9+1.1557996014468785d-3*t12* 1572 2 t53*t54*t55*t9+7.197009455452912d-2*gammaaa*t4*t42*t57*t8 1573 3 -3.8526653381562614d-4*t4*t53*t55*t56*t8+5.77899800723439 1574 4 3d-4*t10*t53*t54*t55*t8+1.9263326690781307d-3*t21*t24*t53 1575 5 *t55*t58+1.1557996014468785d-3*t19*t22*t53*t55*t58+5.7789 1576 6 98007234393d-4*t18*t20*t53*t55*t58+1.9263326690781307d-4* 1577 7 t16*t53*t55*t58+3.598504727726456d-2*gammaaa*t15*t42*t57+ 1578 8 1.799252363863228d-1*gammaaa*t13*t14*t42*t57+1.4394018910 1579 9 905823d-1*gammaaa*t11*t12*t42*t57+3.598504727726456d-2*ga 1580 : mmaaa*t17*t25*t57+1.799252363863228d-1*gammaaa*t17*t23*t2 1581 ; 4*t57+1.4394018910905823d-1*gammaaa*t17*t21*t22*t57+1.079 1582 < 5514183179368d-1*gammaaa*t17*t19*t20*t57+7.19700945545291 1583 = 2d-2*gammaaa*t16*t17*t18*t57-1.9263326690781307d-4*t15*t5 1584 > 3*t55*t56-9.631663345390654d-4*t13*t14*t53*t55*t56-7.7053 1585 ? 30676312523d-4*t11*t12*t53*t55*t56+1.9263326690781307d-4* 1586 @ t4*t53*t54*t55+1.9263326690781307d-3*t11*t14*t53*t54*t55- 1587 1 9.631663345390653d-5*t17*t25*t53*t55-4.815831672695327d-4 1588 2 *t17*t23*t24*t53*t55-3.8526653381562614d-4*t17*t21*t22*t5 1589 3 3*t55-2.8894990036171964d-4*t17*t19*t20*t53*t55-1.9263326 1590 4 690781307d-4*t16*t17*t18*t53*t55 1591 t60 = 1/rhob**6.666666666666666d-1 1592 t61 = gammabb**2 1593 t62 = 1/t30**4 1594 t63 = 1/rhob**7.333333333333333d+0 1595 t64 = 1/t30**3 1596 t65 = 1/rhob**4.666666666666667d+0 1597 t66 = exp(-7.360577852167751d-3*gammabb*t28) 1598 t67 = 1.9263326690781307d-3*t24*t38*t61*t63*t66+1.1557996014 1599 1 468785d-3*t22*t37*t61*t63*t66+5.778998007234393d-4*t20*t3 1600 2 6*t61*t63*t66+1.9263326690781307d-4*t16*t61*t63*t66+7.197 1601 3 009455452912d-2*gammabb*t31*t4*t46*t65+1.799252363863228d 1602 4 -1*gammabb*t14*t34*t46*t65+1.4394018910905823d-1*gammabb* 1603 5 t12*t33*t46*t65+1.0795514183179368d-1*gammabb*t10*t32*t46 1604 6 *t65+3.598504727726456d-2*gammabb*t15*t46*t65+1.799252363 1605 7 863228d-1*gammabb*t24*t35*t39*t65+1.4394018910905823d-1*g 1606 8 ammabb*t22*t35*t38*t65+1.0795514183179368d-1*gammabb*t20* 1607 9 t35*t37*t65+7.197009455452912d-2*gammabb*t16*t35*t36*t65+ 1608 : 3.598504727726456d-2*gammabb*t25*t35*t65-3.85266533815626 1609 ; 14d-4*t31*t4*t61*t63*t64-9.631663345390654d-4*t14*t34*t61 1610 < *t63*t64-7.705330676312523d-4*t12*t33*t61*t63*t64-5.77899 1611 = 8007234393d-4*t10*t32*t61*t63*t64-1.9263326690781307d-4*t 1612 > 15*t61*t63*t64+1.9263326690781307d-4*t4*t61*t62*t63+1.926 1613 ? 3326690781307d-3*t14*t33*t61*t62*t63+1.1557996014468785d- 1614 @ 3*t12*t32*t61*t62*t63+5.778998007234393d-4*t10*t31*t61*t6 1615 1 2*t63-4.815831672695327d-4*t24*t35*t39*t61*t63-3.85266533 1616 2 81562614d-4*t22*t35*t38*t61*t63-2.8894990036171964d-4*t20 1617 3 *t35*t37*t61*t63-1.9263326690781307d-4*t16*t35*t36*t61*t6 1618 4 3-9.631663345390653d-5*t25*t35*t61*t63 1619 t68 = 1/rhoa**6.333333333333333d+0 1620 t69 = 2.167124252712897d-4*gammaaa*t10*t56*t68*t9-4.33424850 1621 1 5425794d-4*gammaaa*t12*t54*t68*t9-2.9442311408671007d-2*t 1622 2 10*t42*t43*t9+1.4447495018085982d-4*gammaaa*t4*t56*t68*t8 1623 3 -2.167124252712897d-4*gammaaa*t10*t54*t68*t8-1.9628207605 1624 4 78067d-2*t4*t42*t43*t8-7.22374750904299d-4*gammaaa*t21*t2 1625 5 4*t58*t68-4.334248505425794d-4*gammaaa*t19*t22*t58*t68-2. 1626 6 167124252712897d-4*gammaaa*t18*t20*t58*t68-7.223747509042 1627 7 99d-5*gammaaa*t16*t58*t68+7.22374750904299d-5*gammaaa*t15 1628 8 *t56*t68+3.611873754521495d-4*gammaaa*t13*t14*t56*t68+2.8 1629 9 894990036171964d-4*gammaaa*t11*t12*t56*t68-7.223747509042 1630 : 99d-5*gammaaa*t4*t54*t68-7.22374750904299d-4*gammaaa*t11* 1631 ; t14*t54*t68+3.611873754521495d-5*gammaaa*t17*t25*t68+1.80 1632 < 59368772607476d-4*gammaaa*t17*t23*t24*t68+1.4447495018085 1633 = 982d-4*gammaaa*t17*t21*t22*t68+1.0835621263564485d-4*gamm 1634 > aaa*t17*t19*t20*t68+7.22374750904299d-5*gammaaa*t16*t17*t 1635 ? 18*t68-9.814103802890335d-3*t15*t42*t43-4.907051901445167 1636 @ 5d-2*t13*t14*t42*t43-3.925641521156134d-2*t11*t12*t42*t43 1637 1 -9.814103802890335d-3*t17*t25*t43-4.9070519014451675d-2*t 1638 2 17*t23*t24*t43-3.925641521156134d-2*t17*t21*t22*t43-2.944 1639 3 2311408671007d-2*t17*t19*t20*t43-1.962820760578067d-2*t16 1640 4 *t17*t18*t43 1641 t70 = 1.1040866778251626d-2*t10*t42*t5*t9+7.360577852167751d 1642 1 -3*t4*t42*t5*t8+3.6802889260838756d-3*t15*t42*t5+1.840144 1643 2 4630419378d-2*t13*t14*t42*t5+1.4721155704335503d-2*t11*t1 1644 3 2*t42*t5+3.6802889260838756d-3*t17*t25*t5+1.8401444630419 1645 4 378d-2*t17*t23*t24*t5+1.4721155704335503d-2*t17*t21*t22*t 1646 5 5+1.1040866778251626d-2*t17*t19*t20*t5+7.360577852167751d 1647 6 -3*t16*t17*t18*t5 1648 t71 = 1/rhob**6.333333333333333d+0 1649 t72 = -7.22374750904299d-4*gammabb*t24*t38*t66*t71-4.3342485 1650 1 05425794d-4*gammabb*t22*t37*t66*t71-2.167124252712897d-4* 1651 2 gammabb*t20*t36*t66*t71-7.22374750904299d-5*gammabb*t16*t 1652 3 66*t71+1.4447495018085982d-4*gammabb*t31*t4*t64*t71+3.611 1653 4 873754521495d-4*gammabb*t14*t34*t64*t71+2.889499003617196 1654 5 4d-4*gammabb*t12*t33*t64*t71+2.167124252712897d-4*gammabb 1655 6 *t10*t32*t64*t71+7.22374750904299d-5*gammabb*t15*t64*t71- 1656 7 7.22374750904299d-5*gammabb*t4*t62*t71-7.22374750904299d- 1657 8 4*gammabb*t14*t33*t62*t71-4.334248505425794d-4*gammabb*t1 1658 9 2*t32*t62*t71-2.167124252712897d-4*gammabb*t10*t31*t62*t7 1659 : 1+1.8059368772607476d-4*gammabb*t24*t35*t39*t71+1.4447495 1660 ; 018085982d-4*gammabb*t22*t35*t38*t71+1.0835621263564485d- 1661 < 4*gammabb*t20*t35*t37*t71+7.22374750904299d-5*gammabb*t16 1662 = *t35*t36*t71+3.611873754521495d-5*gammabb*t25*t35*t71-1.9 1663 > 62820760578067d-2*t31*t4*t46*t47-4.9070519014451675d-2*t1 1664 ? 4*t34*t46*t47-3.925641521156134d-2*t12*t33*t46*t47-2.9442 1665 @ 311408671007d-2*t10*t32*t46*t47-9.814103802890335d-3*t15* 1666 1 t46*t47-4.9070519014451675d-2*t24*t35*t39*t47-3.925641521 1667 2 156134d-2*t22*t35*t38*t47-2.9442311408671007d-2*t20*t35*t 1668 3 37*t47-1.962820760578067d-2*t16*t35*t36*t47-9.81410380289 1669 4 0335d-3*t25*t35*t47 1670 t73 = 7.360577852167751d-3*t28*t31*t4*t46+1.8401444630419378 1671 1 d-2*t14*t28*t34*t46+1.4721155704335503d-2*t12*t28*t33*t46 1672 2 +1.1040866778251626d-2*t10*t28*t32*t46+3.6802889260838756 1673 3 d-3*t15*t28*t46+1.8401444630419378d-2*t24*t28*t35*t39+1.4 1674 4 721155704335503d-2*t22*t28*t35*t38+1.1040866778251626d-2* 1675 5 t20*t28*t35*t37+7.360577852167751d-3*t16*t28*t35*t36+3.68 1676 6 02889260838756d-3*t25*t28*t35 1677 t74 = 1/rhoa**5.333333333333333d+0 1678 t75 = 1.625343189534673d-4*t12*t42*t5*t9+8.126715947673364d- 1679 1 5*t10*t42*t5*t8+2.7089053158911214d-5*t4*t42*t5+2.7089053 1680 2 15891122d-4*t11*t14*t42*t5 1681 t76 = 1/rhob**5.333333333333333d+0 1682 t77 = 2.7089053158911214d-5*t28*t4*t46+2.708905315891122d-4* 1683 1 t14*t28*t33*t46+1.625343189534673d-4*t12*t28*t32*t46+8.12 1684 2 6715947673364d-5*t10*t28*t31*t46 1685 t78 = gammaaa**3 1686 t79 = 1/t7**6 1687 t80 = 1/rhoa**11 1688 t81 = 1/t7**5 1689 t82 = 1/rhoa**8.333333333333334d+0 1690 t83 = 1/rhoa**5.666666666666667d+0 1691 t84 = exp(-1.1040866778251626d-2*gammaaa*t5) 1692 t85 = gammabb**3 1693 t86 = 1/t30**6 1694 t87 = 1/rhob**11 1695 t88 = 1/t30**5 1696 t89 = 1/rhob**8.333333333333334d+0 1697 t90 = 1/rhob**5.666666666666667d+0 1698 t91 = exp(-1.1040866778251626d-2*gammabb*t28) 1699 t92 = 1/rhoa**10 1700 t93 = 1/rhob**10 1701 t94 = 1/rhoa**9 1702 t95 = 1/rhob**9 1703 fnc(iq) = (-9.305257363491002d-1*t27*t40-9.305257363491002d- 1704 1 1*t1*t26)*wght+fnc(iq) 1705 Amat(iq,D1_RA) = (-9.305257363491002d-1*t1*t44-1.24070098179 1706 1 88002d+0*t26*t41)*wght+Amat(iq,D1_RA) 1707 Amat(iq,D1_RB) = (-9.305257363491002d-1*t27*t48-1.2407009817 1708 1 988002d+0*t40*t45)*wght+Amat(iq,D1_RB) 1709 Cmat(iq,D1_GAA) = Cmat(iq,D1_GAA)-9.305257363491002d-1*t1*(t 1710 1 42*t5*t50+(3.6802889260838756d-3*t17*t25+1.84014446304193 1711 2 78d-2*t17*t23*t24+1.4721155704335503d-2*t17*t21*t22+1.104 1712 3 0866778251626d-2*t17*t19*t20+7.360577852167751d-3*t16*t17 1713 4 *t18)*t5)*wght 1714 Cmat(iq,D1_GAB) = Cmat(iq,D1_GAB) 1715 Cmat(iq,D1_GBB) = Cmat(iq,D1_GBB)-9.305257363491002d-1*t27*( 1716 1 t28*t46*t51+t28*(1.8401444630419378d-2*t24*t35*t39+1.4721 1717 2 155704335503d-2*t22*t35*t38+1.1040866778251626d-2*t20*t35 1718 3 *t37+7.360577852167751d-3*t16*t35*t36+3.6802889260838756d 1719 4 -3*t25*t35))*wght 1720 Amat2(iq,D2_RA_RA) = (-9.305257363491002d-1*t1*t59-4.1356699 1721 1 39329334d-1*t26*t52-2.4814019635976003d+0*t41*t44)*wght+A 1722 2 mat2(iq,D2_RA_RA) 1723 Amat2(iq,D2_RA_RB) = Amat2(iq,D2_RA_RB) 1724 Amat2(iq,D2_RB_RB) = (-9.305257363491002d-1*t27*t67-4.135669 1725 1 939329334d-1*t40*t60-2.4814019635976003d+0*t45*t48)*wght+ 1726 2 Amat2(iq,D2_RB_RB) 1727 Cmat2(iq,D2_RA_GAA) = (-1.2407009817988002d+0*t41*t70-9.3052 1728 1 57363491002d-1*t1*t69)*wght+Cmat2(iq,D2_RA_GAA) 1729 Cmat2(iq,D2_RA_GAB) = Cmat2(iq,D2_RA_GAB) 1730 Cmat2(iq,D2_RA_GBB) = Cmat2(iq,D2_RA_GBB) 1731 Cmat2(iq,D2_RB_GAA) = Cmat2(iq,D2_RB_GAA) 1732 Cmat2(iq,D2_RB_GAB) = Cmat2(iq,D2_RB_GAB) 1733 Cmat2(iq,D2_RB_GBB) = (-1.2407009817988002d+0*t45*t73-9.3052 1734 1 57363491002d-1*t27*t72)*wght+Cmat2(iq,D2_RB_GBB) 1735 Cmat2(iq,D2_GAA_GAA) = Cmat2(iq,D2_GAA_GAA)-9.30525736349100 1736 1 2d-1*t1*(t42*t5*t75-7.360577852167751d-3*t50*t56*t74+t5*( 1737 2 2.708905315891122d-4*t21*t24*t5*t58+1.625343189534673d-4* 1738 3 t19*t22*t5*t58+8.126715947673364d-5*t18*t20*t5*t58+2.7089 1739 4 053158911214d-5*t16*t5*t58-1.3544526579455607d-5*t17*t25* 1740 5 t5-6.772263289727805d-5*t17*t23*t24*t5-5.417810631782243d 1741 6 -5*t17*t21*t22*t5-4.063357973836682d-5*t17*t19*t20*t5-2.7 1742 7 089053158911214d-5*t16*t17*t18*t5))*wght 1743 Cmat2(iq,D2_GAA_GAB) = Cmat2(iq,D2_GAA_GAB) 1744 Cmat2(iq,D2_GAA_GBB) = Cmat2(iq,D2_GAA_GBB) 1745 Cmat2(iq,D2_GAB_GAB) = Cmat2(iq,D2_GAB_GAB) 1746 Cmat2(iq,D2_GAB_GBB) = Cmat2(iq,D2_GAB_GBB) 1747 Cmat2(iq,D2_GBB_GBB) = Cmat2(iq,D2_GBB_GBB)-9.30525736349100 1748 1 2d-1*t27*(t28*t46*t77-7.360577852167751d-3*t51*t64*t76+t2 1749 2 8*(2.708905315891122d-4*t24*t28*t38*t66+1.625343189534673 1750 3 d-4*t22*t28*t37*t66+8.126715947673364d-5*t20*t28*t36*t66+ 1751 4 2.7089053158911214d-5*t16*t28*t66-6.772263289727805d-5*t2 1752 5 4*t28*t35*t39-5.417810631782243d-5*t22*t28*t35*t38-4.0633 1753 6 57973836682d-5*t20*t28*t35*t37-2.7089053158911214d-5*t16* 1754 7 t28*t35*t36-1.3544526579455607d-5*t25*t28*t35))*wght 1755 Amat3(iq,D3_RA_RA_RA) = (-9.305257363491002d-1*t1*(-5.037906 1756 1 618817038d-1*gammaaa*t10*t42*t83*t9+6.356897807957831d-3* 1757 2 t10*t53*t56*t82*t9-1.2713795615915663d-2*t12*t53*t54*t82* 1758 3 t9+6.805882358363365d-5*t12*t78*t80*t81*t9-5.671568631969 1759 4 472d-5*t14*t78*t79*t80*t9-1.7014705895908416d-5*t10*t54*t 1760 5 78*t80*t9-5.671568631969472d-5*t19*t24*t78*t80*t84-2.2686 1761 6 274527877887d-5*t18*t22*t78*t80*t84-5.671568631969471d-6* 1762 7 t20*t78*t80*t84-3.3586044125446923d-1*gammaaa*t4*t42*t8*t 1763 8 83-1.6793022062723462d-1*gammaaa*t15*t42*t83-8.3965110313 1764 9 61731d-1*gammaaa*t13*t14*t42*t83-6.717208825089385d-1*gam 1765 : maaa*t11*t12*t42*t83-1.6793022062723462d-1*gammaaa*t17*t2 1766 ; 5*t83-8.396511031361731d-1*gammaaa*t17*t23*t24*t83-6.7172 1767 < 08825089385d-1*gammaaa*t17*t21*t22*t83-5.037906618817038d 1768 = -1*gammaaa*t17*t19*t20*t83-3.3586044125446923d-1*gammaaa* 1769 > t16*t17*t18*t83+4.237931871971887d-3*t4*t53*t56*t8*t82-6. 1770 ? 356897807957831d-3*t10*t53*t54*t8*t82-2.1189659359859436d 1771 @ -2*t21*t24*t53*t58*t82-1.2713795615915663d-2*t19*t22*t53* 1772 1 t58*t82-6.356897807957831d-3*t18*t20*t53*t58*t82-2.118965 1773 2 9359859436d-3*t16*t53*t58*t82+2.1189659359859436d-3*t15*t 1774 3 53*t56*t82+1.0594829679929718d-2*t13*t14*t53*t56*t82+8.47 1775 4 5863743943775d-3*t11*t12*t53*t56*t82-2.1189659359859436d- 1776 5 3*t4*t53*t54*t82-2.1189659359859436d-2*t11*t14*t53*t54*t8 1777 6 2+1.0594829679929718d-3*t17*t25*t53*t82+5.297414839964859 1778 7 d-3*t17*t23*t24*t53*t82+4.237931871971887d-3*t17*t21*t22* 1779 8 t53*t82+3.1784489039789154d-3*t17*t19*t20*t53*t82+2.11896 1780 9 59359859436d-3*t16*t17*t18*t53*t82+3.4029411791816827d-5* 1781 : t10*t78*t8*t80*t81+1.1343137263938943d-5*t4*t78*t80*t81+1 1782 ; .1343137263938945d-4*t11*t14*t78*t80*t81-2.26862745278778 1783 < 87d-5*t12*t78*t79*t8*t80-1.1343137263938943d-5*t4*t54*t78 1784 = *t8*t80-5.671568631969471d-6*t10*t78*t79*t80+5.6715686319 1785 > 69472d-5*t21*t24*t58*t78*t80+3.4029411791816827d-5*t19*t2 1786 ? 2*t58*t78*t80+1.7014705895908414d-5*t18*t20*t58*t78*t80+5 1787 @ .671568631969471d-6*t16*t58*t78*t80-5.671568631969471d-6* 1788 1 t15*t54*t78*t80-2.835784315984736d-5*t13*t14*t54*t78*t80- 1789 2 2.2686274527877887d-5*t11*t12*t54*t78*t80-9.4526143866157 1790 3 86d-7*t17*t25*t78*t80-4.726307193307893d-6*t17*t23*t24*t7 1791 4 8*t80-3.7810457546463144d-6*t17*t21*t22*t78*t80-2.8357843 1792 5 159847357d-6*t17*t19*t20*t78*t80-1.8905228773231572d-6*t1 1793 6 6*t17*t18*t78*t80)-3.7221029453964005d+0*t41*t59-1.240700 1794 7 9817988002d+0*t44*t52+2.7571132928862224d-1*t26/rhoa**1.6 1795 8 666666666666669d+0)*wght+Amat3(iq,D3_RA_RA_RA) 1796 Amat3(iq,D3_RA_RA_RB) = Amat3(iq,D3_RA_RA_RB) 1797 Amat3(iq,D3_RA_RB_RB) = Amat3(iq,D3_RA_RB_RB) 1798 Amat3(iq,D3_RB_RB_RB) = (-9.305257363491002d-1*t27*(-5.67156 1799 1 8631969472d-5*t24*t37*t85*t87*t91-2.2686274527877887d-5*t 1800 2 22*t36*t85*t87*t91-5.671568631969471d-6*t20*t85*t87*t91-3 1801 3 .3586044125446923d-1*gammabb*t31*t4*t46*t90-8.39651103136 1802 4 1731d-1*gammabb*t14*t34*t46*t90-6.717208825089385d-1*gamm 1803 5 abb*t12*t33*t46*t90-5.037906618817038d-1*gammabb*t10*t32* 1804 6 t46*t90-1.6793022062723462d-1*gammabb*t15*t46*t90-8.39651 1805 7 1031361731d-1*gammabb*t24*t35*t39*t90-6.717208825089385d- 1806 8 1*gammabb*t22*t35*t38*t90-5.037906618817038d-1*gammabb*t2 1807 9 0*t35*t37*t90-3.3586044125446923d-1*gammabb*t16*t35*t36*t 1808 : 90-1.6793022062723462d-1*gammabb*t25*t35*t90-2.1189659359 1809 ; 859436d-2*t24*t38*t61*t66*t89-1.2713795615915663d-2*t22*t 1810 < 37*t61*t66*t89-6.356897807957831d-3*t20*t36*t61*t66*t89-2 1811 = .1189659359859436d-3*t16*t61*t66*t89+4.237931871971887d-3 1812 > *t31*t4*t61*t64*t89+1.0594829679929718d-2*t14*t34*t61*t64 1813 ? *t89+8.475863743943775d-3*t12*t33*t61*t64*t89+6.356897807 1814 @ 957831d-3*t10*t32*t61*t64*t89+2.1189659359859436d-3*t15*t 1815 1 61*t64*t89-2.1189659359859436d-3*t4*t61*t62*t89-2.1189659 1816 2 359859436d-2*t14*t33*t61*t62*t89-1.2713795615915663d-2*t1 1817 3 2*t32*t61*t62*t89-6.356897807957831d-3*t10*t31*t61*t62*t8 1818 4 9+5.297414839964859d-3*t24*t35*t39*t61*t89+4.237931871971 1819 5 887d-3*t22*t35*t38*t61*t89+3.1784489039789154d-3*t20*t35* 1820 6 t37*t61*t89+2.1189659359859436d-3*t16*t35*t36*t61*t89+1.0 1821 7 594829679929718d-3*t25*t35*t61*t89+1.1343137263938943d-5* 1822 8 t4*t85*t87*t88+1.1343137263938945d-4*t14*t33*t85*t87*t88+ 1823 9 6.805882358363365d-5*t12*t32*t85*t87*t88+3.40294117918168 1824 : 27d-5*t10*t31*t85*t87*t88-5.671568631969472d-5*t14*t32*t8 1825 ; 5*t86*t87-2.2686274527877887d-5*t12*t31*t85*t86*t87-5.671 1826 < 568631969471d-6*t10*t85*t86*t87+5.671568631969472d-5*t24* 1827 = t38*t66*t85*t87+3.4029411791816827d-5*t22*t37*t66*t85*t87 1828 > +1.7014705895908414d-5*t20*t36*t66*t85*t87+5.671568631969 1829 ? 471d-6*t16*t66*t85*t87-1.1343137263938943d-5*t31*t4*t62*t 1830 @ 85*t87-2.835784315984736d-5*t14*t34*t62*t85*t87-2.2686274 1831 1 527877887d-5*t12*t33*t62*t85*t87-1.7014705895908416d-5*t1 1832 2 0*t32*t62*t85*t87-5.671568631969471d-6*t15*t62*t85*t87-4. 1833 3 726307193307893d-6*t24*t35*t39*t85*t87-3.7810457546463144 1834 4 d-6*t22*t35*t38*t85*t87-2.8357843159847357d-6*t20*t35*t37 1835 5 *t85*t87-1.8905228773231572d-6*t16*t35*t36*t85*t87-9.4526 1836 6 14386615786d-7*t25*t35*t85*t87)-3.7221029453964005d+0*t45 1837 7 *t67-1.2407009817988002d+0*t48*t60+2.7571132928862224d-1* 1838 8 t40/rhob**1.6666666666666669d+0)*wght+Amat3(iq,D3_RB_RB_R 1839 9 B) 1840 Cmat3(iq,D3_RA_RA_GAA) = (-9.305257363491002d-1*t1*(-2.55220 1841 1 5884386262d-5*t12*t53*t81*t9*t92+2.1268382369885516d-5*t1 1842 2 4*t53*t79*t9*t92+6.380514710965656d-6*t10*t53*t54*t9*t92+ 1843 3 2.1268382369885516d-5*t19*t24*t53*t84*t92+8.5073529479542 1844 4 09d-6*t18*t22*t53*t84*t92+2.1268382369885522d-6*t20*t53*t 1845 5 84*t92-1.2761029421931314d-5*t10*t53*t8*t81*t92-4.2536764 1846 6 73977103d-6*t4*t53*t81*t92-4.2536764739771044d-5*t11*t14* 1847 7 t53*t81*t92+8.507352947954209d-6*t12*t53*t79*t8*t92+4.253 1848 8 676473977103d-6*t4*t53*t54*t8*t92+2.1268382369885522d-6*t 1849 9 10*t53*t79*t92-2.1268382369885522d-5*t21*t24*t53*t58*t92- 1850 : 1.276102942193131d-5*t19*t22*t53*t58*t92-6.38051471096565 1851 ; 7d-6*t18*t20*t53*t58*t92-2.1268382369885516d-6*t16*t53*t5 1852 < 8*t92+2.1268382369885516d-6*t15*t53*t54*t92+1.06341911849 1853 = 42758d-5*t13*t14*t53*t54*t92+8.507352947954206d-6*t11*t12 1854 > *t53*t54*t92+3.54473039498092d-7*t17*t25*t53*t92+1.772365 1855 ? 19749046d-6*t17*t23*t24*t53*t92+1.4178921579923678d-6*t17 1856 @ *t21*t22*t53*t92+1.0634191184942761d-6*t17*t19*t20*t53*t9 1857 1 2+7.08946078996184d-7*t16*t17*t18*t53*t92+1.0795514183179 1858 2 368d-1*t10*t42*t57*t9-1.9504118274416074d-3*gammaaa*t10*t 1859 3 55*t56*t9+3.900823654883215d-3*gammaaa*t12*t54*t55*t9+7.1 1860 4 97009455452912d-2*t4*t42*t57*t8-1.300274551627738d-3*gamm 1861 5 aaa*t4*t55*t56*t8+1.9504118274416074d-3*gammaaa*t10*t54*t 1862 6 55*t8+6.50137275813869d-3*gammaaa*t21*t24*t55*t58+3.90082 1863 7 3654883215d-3*gammaaa*t19*t22*t55*t58+1.9504118274416074d 1864 8 -3*gammaaa*t18*t20*t55*t58+6.501372758138692d-4*gammaaa*t 1865 9 16*t55*t58+3.598504727726456d-2*t15*t42*t57+1.79925236386 1866 : 3228d-1*t13*t14*t42*t57+1.4394018910905823d-1*t11*t12*t42 1867 ; *t57+3.598504727726456d-2*t17*t25*t57+1.799252363863228d- 1868 < 1*t17*t23*t24*t57+1.4394018910905823d-1*t17*t21*t22*t57+1 1869 = .0795514183179368d-1*t17*t19*t20*t57+7.197009455452912d-2 1870 > *t16*t17*t18*t57-6.501372758138692d-4*gammaaa*t15*t55*t56 1871 ? -3.250686379069345d-3*gammaaa*t13*t14*t55*t56-2.600549103 1872 @ 255476d-3*gammaaa*t11*t12*t55*t56+6.501372758138692d-4*ga 1873 1 mmaaa*t4*t54*t55+6.50137275813869d-3*gammaaa*t11*t14*t54* 1874 2 t55-3.250686379069346d-4*gammaaa*t17*t25*t55-1.6253431895 1875 3 346726d-3*gammaaa*t17*t23*t24*t55-1.300274551627738d-3*ga 1876 4 mmaaa*t17*t21*t22*t55-9.752059137208037d-4*gammaaa*t17*t1 1877 5 9*t20*t55-6.501372758138692d-4*gammaaa*t16*t17*t18*t55)-4 1878 6 .135669939329334d-1*t52*t70-2.4814019635976003d+0*t41*t69 1879 7 )*wght+Cmat3(iq,D3_RA_RA_GAA) 1880 Cmat3(iq,D3_RA_RA_GAB) = Cmat3(iq,D3_RA_RA_GAB) 1881 Cmat3(iq,D3_RA_RA_GBB) = Cmat3(iq,D3_RA_RA_GBB) 1882 Cmat3(iq,D3_RA_RB_GAA) = Cmat3(iq,D3_RA_RB_GAA) 1883 Cmat3(iq,D3_RA_RB_GAB) = Cmat3(iq,D3_RA_RB_GAB) 1884 Cmat3(iq,D3_RA_RB_GBB) = Cmat3(iq,D3_RA_RB_GBB) 1885 Cmat3(iq,D3_RB_RB_GAA) = Cmat3(iq,D3_RB_RB_GAA) 1886 Cmat3(iq,D3_RB_RB_GAB) = Cmat3(iq,D3_RB_RB_GAB) 1887 Cmat3(iq,D3_RB_RB_GBB) = (-9.305257363491002d-1*t27*(2.12683 1888 1 82369885516d-5*t24*t37*t61*t91*t93+8.507352947954209d-6*t 1889 2 22*t36*t61*t91*t93+2.1268382369885522d-6*t20*t61*t91*t93- 1890 3 4.253676473977103d-6*t4*t61*t88*t93-4.2536764739771044d-5 1891 4 *t14*t33*t61*t88*t93-2.552205884386262d-5*t12*t32*t61*t88 1892 5 *t93-1.2761029421931314d-5*t10*t31*t61*t88*t93+2.12683823 1893 6 69885516d-5*t14*t32*t61*t86*t93+8.507352947954209d-6*t12* 1894 7 t31*t61*t86*t93+2.1268382369885522d-6*t10*t61*t86*t93-2.1 1895 8 268382369885522d-5*t24*t38*t61*t66*t93-1.276102942193131d 1896 9 -5*t22*t37*t61*t66*t93-6.380514710965657d-6*t20*t36*t61*t 1897 : 66*t93-2.1268382369885516d-6*t16*t61*t66*t93+4.2536764739 1898 ; 77103d-6*t31*t4*t61*t62*t93+1.0634191184942758d-5*t14*t34 1899 < *t61*t62*t93+8.507352947954206d-6*t12*t33*t61*t62*t93+6.3 1900 = 80514710965656d-6*t10*t32*t61*t62*t93+2.1268382369885516d 1901 > -6*t15*t61*t62*t93+1.77236519749046d-6*t24*t35*t39*t61*t9 1902 ? 3+1.4178921579923678d-6*t22*t35*t38*t61*t93+1.06341911849 1903 @ 42761d-6*t20*t35*t37*t61*t93+7.08946078996184d-7*t16*t35* 1904 1 t36*t61*t93+3.54473039498092d-7*t25*t35*t61*t93+6.5013727 1905 2 5813869d-3*gammabb*t24*t38*t63*t66+3.900823654883215d-3*g 1906 3 ammabb*t22*t37*t63*t66+1.9504118274416074d-3*gammabb*t20* 1907 4 t36*t63*t66+6.501372758138692d-4*gammabb*t16*t63*t66+7.19 1908 5 7009455452912d-2*t31*t4*t46*t65+1.799252363863228d-1*t14* 1909 6 t34*t46*t65+1.4394018910905823d-1*t12*t33*t46*t65+1.07955 1910 7 14183179368d-1*t10*t32*t46*t65+3.598504727726456d-2*t15*t 1911 8 46*t65+1.799252363863228d-1*t24*t35*t39*t65+1.43940189109 1912 9 05823d-1*t22*t35*t38*t65+1.0795514183179368d-1*t20*t35*t3 1913 : 7*t65+7.197009455452912d-2*t16*t35*t36*t65+3.598504727726 1914 ; 456d-2*t25*t35*t65-1.300274551627738d-3*gammabb*t31*t4*t6 1915 < 3*t64-3.250686379069345d-3*gammabb*t14*t34*t63*t64-2.6005 1916 = 49103255476d-3*gammabb*t12*t33*t63*t64-1.9504118274416074 1917 > d-3*gammabb*t10*t32*t63*t64-6.501372758138692d-4*gammabb* 1918 ? t15*t63*t64+6.501372758138692d-4*gammabb*t4*t62*t63+6.501 1919 @ 37275813869d-3*gammabb*t14*t33*t62*t63+3.900823654883215d 1920 1 -3*gammabb*t12*t32*t62*t63+1.9504118274416074d-3*gammabb* 1921 2 t10*t31*t62*t63-1.6253431895346726d-3*gammabb*t24*t35*t39 1922 3 *t63-1.300274551627738d-3*gammabb*t22*t35*t38*t63-9.75205 1923 4 9137208037d-4*gammabb*t20*t35*t37*t63-6.501372758138692d- 1924 5 4*gammabb*t16*t35*t36*t63-3.250686379069346d-4*gammabb*t2 1925 6 5*t35*t63)-4.135669939329334d-1*t60*t73-2.481401963597600 1926 7 3d+0*t45*t72)*wght+Cmat3(iq,D3_RB_RB_GBB) 1927 Cmat3(iq,D3_RA_GAA_GAA) = (-9.305257363491002d-1*t1*(9.57077 1928 1 2066448484d-6*gammaaa*t12*t81*t9*t94-7.97564338870707d-6* 1929 2 gammaaa*t14*t79*t9*t94-2.3926930166121207d-6*gammaaa*t10* 1930 3 t54*t9*t94-7.97564338870707d-6*gammaaa*t19*t24*t84*t94-3. 1931 4 190257355482828d-6*gammaaa*t18*t22*t84*t94-7.975643388707 1932 5 07d-7*gammaaa*t20*t84*t94+4.785386033224242d-6*gammaaa*t1 1933 6 0*t8*t81*t94+1.5951286777414142d-6*gammaaa*t4*t81*t94+1.5 1934 7 95128677741414d-5*gammaaa*t11*t14*t81*t94-3.1902573554828 1935 8 28d-6*gammaaa*t12*t79*t8*t94-1.595128677741414d-6*gammaaa 1936 9 *t4*t54*t8*t94-7.97564338870707d-7*gammaaa*t10*t79*t94+7. 1937 : 97564338870707d-6*gammaaa*t21*t24*t58*t94+4.7853860332242 1938 ; 42d-6*gammaaa*t19*t22*t58*t94+2.392693016612121d-6*gammaa 1939 < a*t18*t20*t58*t94+7.975643388707071d-7*gammaaa*t16*t58*t9 1940 = 4-7.97564338870707d-7*gammaaa*t15*t54*t94-3.9878216943535 1941 > 35d-6*gammaaa*t13*t14*t54*t94-3.190257355482828d-6*gammaa 1942 ? a*t11*t12*t54*t94-1.329273898117845d-7*gammaaa*t17*t25*t9 1943 @ 4-6.646369490589226d-7*gammaaa*t17*t23*t24*t94-5.31709559 1944 1 247138d-7*gammaaa*t17*t21*t22*t94-3.987821694353535d-7*ga 1945 2 mmaaa*t17*t19*t20*t94-2.65854779623569d-7*gammaaa*t16*t17 1946 3 *t18*t94+4.334248505425794d-4*t10*t56*t68*t9-8.6684970108 1947 4 51588d-4*t12*t54*t68*t9+2.8894990036171964d-4*t4*t56*t68* 1948 5 t8-4.334248505425794d-4*t10*t54*t68*t8-1.4447495018085982 1949 6 d-3*t21*t24*t58*t68-8.668497010851588d-4*t19*t22*t58*t68- 1950 7 4.334248505425794d-4*t18*t20*t58*t68-1.4447495018085982d- 1951 8 4*t16*t58*t68+1.4447495018085982d-4*t15*t56*t68+7.2237475 1952 9 0904299d-4*t13*t14*t56*t68+5.778998007234393d-4*t11*t12*t 1953 : 56*t68-1.4447495018085982d-4*t4*t54*t68-1.444749501808598 1954 ; 2d-3*t11*t14*t54*t68+7.22374750904299d-5*t17*t25*t68+3.61 1955 < 1873754521495d-4*t17*t23*t24*t68+2.8894990036171964d-4*t1 1956 = 7*t21*t22*t68+2.167124252712897d-4*t17*t19*t20*t68+1.4447 1957 > 495018085982d-4*t16*t17*t18*t68)-1.2407009817988002d+0*t4 1958 ? 1*(-8.126715947673364d-5*t10*t56*t74*t9+1.625343189534673 1959 @ d-4*t12*t54*t74*t9-5.417810631782243d-5*t4*t56*t74*t8+8.1 1960 1 26715947673364d-5*t10*t54*t74*t8+2.708905315891122d-4*t21 1961 2 *t24*t58*t74+1.625343189534673d-4*t19*t22*t58*t74+8.12671 1962 3 5947673364d-5*t18*t20*t58*t74+2.7089053158911214d-5*t16*t 1963 4 58*t74-2.7089053158911214d-5*t15*t56*t74-1.35445265794556 1964 5 1d-4*t13*t14*t56*t74-1.0835621263564485d-4*t11*t12*t56*t7 1965 6 4+2.7089053158911214d-5*t4*t54*t74+2.708905315891122d-4*t 1966 7 11*t14*t54*t74-1.3544526579455607d-5*t17*t25*t74-6.772263 1967 8 289727805d-5*t17*t23*t24*t74-5.417810631782243d-5*t17*t21 1968 9 *t22*t74-4.063357973836682d-5*t17*t19*t20*t74-2.708905315 1969 : 8911214d-5*t16*t17*t18*t74))*wght+Cmat3(iq,D3_RA_GAA_GAA) 1970 Cmat3(iq,D3_RA_GAA_GAB) = Cmat3(iq,D3_RA_GAA_GAB) 1971 Cmat3(iq,D3_RA_GAA_GBB) = Cmat3(iq,D3_RA_GAA_GBB) 1972 Cmat3(iq,D3_RA_GAB_GAB) = Cmat3(iq,D3_RA_GAB_GAB) 1973 Cmat3(iq,D3_RA_GAB_GBB) = Cmat3(iq,D3_RA_GAB_GBB) 1974 Cmat3(iq,D3_RA_GBB_GBB) = Cmat3(iq,D3_RA_GBB_GBB) 1975 Cmat3(iq,D3_RB_GAA_GAA) = Cmat3(iq,D3_RB_GAA_GAA) 1976 Cmat3(iq,D3_RB_GAA_GAB) = Cmat3(iq,D3_RB_GAA_GAB) 1977 Cmat3(iq,D3_RB_GAA_GBB) = Cmat3(iq,D3_RB_GAA_GBB) 1978 Cmat3(iq,D3_RB_GAB_GAB) = Cmat3(iq,D3_RB_GAB_GAB) 1979 Cmat3(iq,D3_RB_GAB_GBB) = Cmat3(iq,D3_RB_GAB_GBB) 1980 Cmat3(iq,D3_RB_GBB_GBB) = (-9.305257363491002d-1*t27*(-7.975 1981 1 64338870707d-6*gammabb*t24*t37*t91*t95-3.190257355482828d 1982 2 -6*gammabb*t22*t36*t91*t95-7.97564338870707d-7*gammabb*t2 1983 3 0*t91*t95+1.5951286777414142d-6*gammabb*t4*t88*t95+1.5951 1984 4 28677741414d-5*gammabb*t14*t33*t88*t95+9.570772066448484d 1985 5 -6*gammabb*t12*t32*t88*t95+4.785386033224242d-6*gammabb*t 1986 6 10*t31*t88*t95-7.97564338870707d-6*gammabb*t14*t32*t86*t9 1987 7 5-3.190257355482828d-6*gammabb*t12*t31*t86*t95-7.97564338 1988 8 870707d-7*gammabb*t10*t86*t95+7.97564338870707d-6*gammabb 1989 9 *t24*t38*t66*t95+4.785386033224242d-6*gammabb*t22*t37*t66 1990 : *t95+2.392693016612121d-6*gammabb*t20*t36*t66*t95+7.97564 1991 ; 3388707071d-7*gammabb*t16*t66*t95-1.595128677741414d-6*ga 1992 < mmabb*t31*t4*t62*t95-3.987821694353535d-6*gammabb*t14*t34 1993 = *t62*t95-3.190257355482828d-6*gammabb*t12*t33*t62*t95-2.3 1994 > 926930166121207d-6*gammabb*t10*t32*t62*t95-7.975643388707 1995 ? 07d-7*gammabb*t15*t62*t95-6.646369490589226d-7*gammabb*t2 1996 @ 4*t35*t39*t95-5.31709559247138d-7*gammabb*t22*t35*t38*t95 1997 1 -3.987821694353535d-7*gammabb*t20*t35*t37*t95-2.658547796 1998 2 23569d-7*gammabb*t16*t35*t36*t95-1.329273898117845d-7*gam 1999 3 mabb*t25*t35*t95-1.4447495018085982d-3*t24*t38*t66*t71-8. 2000 4 668497010851588d-4*t22*t37*t66*t71-4.334248505425794d-4*t 2001 5 20*t36*t66*t71-1.4447495018085982d-4*t16*t66*t71+2.889499 2002 6 0036171964d-4*t31*t4*t64*t71+7.22374750904299d-4*t14*t34* 2003 7 t64*t71+5.778998007234393d-4*t12*t33*t64*t71+4.3342485054 2004 8 25794d-4*t10*t32*t64*t71+1.4447495018085982d-4*t15*t64*t7 2005 9 1-1.4447495018085982d-4*t4*t62*t71-1.4447495018085982d-3* 2006 : t14*t33*t62*t71-8.668497010851588d-4*t12*t32*t62*t71-4.33 2007 ; 4248505425794d-4*t10*t31*t62*t71+3.611873754521495d-4*t24 2008 < *t35*t39*t71+2.8894990036171964d-4*t22*t35*t38*t71+2.1671 2009 = 24252712897d-4*t20*t35*t37*t71+1.4447495018085982d-4*t16* 2010 > t35*t36*t71+7.22374750904299d-5*t25*t35*t71)-1.2407009817 2011 ? 988002d+0*t45*(2.708905315891122d-4*t24*t38*t66*t76+1.625 2012 @ 343189534673d-4*t22*t37*t66*t76+8.126715947673364d-5*t20* 2013 1 t36*t66*t76+2.7089053158911214d-5*t16*t66*t76-5.417810631 2014 2 782243d-5*t31*t4*t64*t76-1.354452657945561d-4*t14*t34*t64 2015 3 *t76-1.0835621263564485d-4*t12*t33*t64*t76-8.126715947673 2016 4 364d-5*t10*t32*t64*t76-2.7089053158911214d-5*t15*t64*t76+ 2017 5 2.7089053158911214d-5*t4*t62*t76+2.708905315891122d-4*t14 2018 6 *t33*t62*t76+1.625343189534673d-4*t12*t32*t62*t76+8.12671 2019 7 5947673364d-5*t10*t31*t62*t76-6.772263289727805d-5*t24*t3 2020 8 5*t39*t76-5.417810631782243d-5*t22*t35*t38*t76-4.06335797 2021 9 3836682d-5*t20*t35*t37*t76-2.7089053158911214d-5*t16*t35* 2022 : t36*t76-1.3544526579455607d-5*t25*t35*t76))*wght+Cmat3(iq 2023 ; ,D3_RB_GBB_GBB) 2024 Cmat3(iq,D3_GAA_GAA_GAA) = Cmat3(iq,D3_GAA_GAA_GAA)-9.305257 2025 1 363491002d-1*t1*(t42*t5*(-1.1963465083060604d-6*t12*t56*t 2026 2 74*t9+2.990866270765151d-6*t14*t54*t74*t9-5.9817325415303 2027 3 01d-7*t10*t56*t74*t8+1.1963465083060604d-6*t12*t54*t74*t8 2028 4 -1.9939108471767675d-7*t4*t56*t74-1.9939108471767675d-6*t 2029 5 11*t14*t56*t74+2.9908662707651507d-7*t10*t54*t74)+t5*(2.9 2030 6 90866270765151d-6*t19*t24*t74*t84+1.1963465083060604d-6*t 2031 7 18*t22*t74*t84+2.9908662707651507d-7*t20*t74*t84-2.990866 2032 8 270765151d-6*t21*t24*t58*t74-1.7945197624590903d-6*t19*t2 2033 9 2*t58*t74-8.972598812295453d-7*t18*t20*t58*t74-2.99086627 2034 : 0765151d-7*t16*t58*t74+4.9847771179419187d-8*t17*t25*t74+ 2035 ; 2.4923885589709593d-7*t17*t23*t24*t74+1.9939108471767675d 2036 < -7*t17*t21*t22*t74+1.4954331353825753d-7*t17*t19*t20*t74+ 2037 = 9.969554235883837d-8*t16*t17*t18*t74)-1.4721155704335503d 2038 > -2*t56*t74*t75+8.126715947673364d-5*t50*t54/rhoa**8)*wght 2039 Cmat3(iq,D3_GAA_GAA_GAB) = Cmat3(iq,D3_GAA_GAA_GAB) 2040 Cmat3(iq,D3_GAA_GAA_GBB) = Cmat3(iq,D3_GAA_GAA_GBB) 2041 Cmat3(iq,D3_GAA_GAB_GAB) = Cmat3(iq,D3_GAA_GAB_GAB) 2042 Cmat3(iq,D3_GAA_GAB_GBB) = Cmat3(iq,D3_GAA_GAB_GBB) 2043 Cmat3(iq,D3_GAA_GBB_GBB) = Cmat3(iq,D3_GAA_GBB_GBB) 2044 Cmat3(iq,D3_GAB_GAB_GAB) = Cmat3(iq,D3_GAB_GAB_GAB) 2045 Cmat3(iq,D3_GAB_GAB_GBB) = Cmat3(iq,D3_GAB_GAB_GBB) 2046 Cmat3(iq,D3_GAB_GBB_GBB) = Cmat3(iq,D3_GAB_GBB_GBB) 2047 Cmat3(iq,D3_GBB_GBB_GBB) = Cmat3(iq,D3_GBB_GBB_GBB)-9.305257 2048 1 363491002d-1*t27*(t28*(2.990866270765151d-6*t24*t37*t76*t 2049 2 91+1.1963465083060604d-6*t22*t36*t76*t91+2.99086627076515 2050 3 07d-7*t20*t76*t91-2.990866270765151d-6*t24*t38*t66*t76-1. 2051 4 7945197624590903d-6*t22*t37*t66*t76-8.972598812295453d-7* 2052 5 t20*t36*t66*t76-2.990866270765151d-7*t16*t66*t76+2.492388 2053 6 5589709593d-7*t24*t35*t39*t76+1.9939108471767675d-7*t22*t 2054 7 35*t38*t76+1.4954331353825753d-7*t20*t35*t37*t76+9.969554 2055 8 235883837d-8*t16*t35*t36*t76+4.9847771179419187d-8*t25*t3 2056 9 5*t76)-1.4721155704335503d-2*t64*t76*t77+t28*t46*(-1.9939 2057 : 108471767675d-7*t4*t64*t76-1.9939108471767675d-6*t14*t33* 2058 ; t64*t76-1.1963465083060604d-6*t12*t32*t64*t76-5.981732541 2059 < 530301d-7*t10*t31*t64*t76+2.990866270765151d-6*t14*t32*t6 2060 = 2*t76+1.1963465083060604d-6*t12*t31*t62*t76+2.99086627076 2061 > 51507d-7*t10*t62*t76)+8.126715947673364d-5*t51*t62/rhob** 2062 ? 8)*wght 2063 elseif (rhoa.gt.tol_rho.and.rhob.le.tol_rho) then 2064 t1 = rhoa**1.3333333333333333d+0 2065 t2 = param(3) 2066 t3 = 1/rhoa**2.6666666666666666d+0 2067 t4 = 3.6802889260838756d-3*gammaaa*t3 2068 t5 = t4+1.0d+0 2069 t6 = 1.0d+0-1.0d+0/t5 2070 t7 = t6**2.0d+0 2071 t8 = param(4) 2072 t9 = t6**3.0d+0 2073 t10 = param(5) 2074 t11 = t6**4.0d+0 2075 t12 = param(6) 2076 t13 = param(2) 2077 t14 = param(9) 2078 t15 = exp(-t4) 2079 t16 = 1.0d+0-t15 2080 t17 = t16**2.0d+0 2081 t18 = param(10) 2082 t19 = t16**3.0d+0 2083 t20 = param(11) 2084 t21 = t16**4.0d+0 2085 t22 = param(12) 2086 t23 = param(8) 2087 t24 = t8*t9+t2*t7+t12*t6**5.0d+0+t13*t6+t16*t23+t16**5.0d+0* 2088 1 t22+t20*t21+t18*t19+t14*t17+t10*t11+param(7)+param(1) 2089 t25 = rhoa**3.333333333333333d-1 2090 t26 = 1/t5**2 2091 t27 = 1/rhoa**3.6666666666666664d+0 2092 t28 = -3.925641521156134d-2*gammaaa*t10*t26*t27*t9-2.9442311 2093 1 408671007d-2*gammaaa*t26*t27*t7*t8-1.962820760578067d-2*g 2094 2 ammaaa*t2*t26*t27*t6-9.814103802890335d-3*gammaaa*t13*t26 2095 3 *t27-4.9070519014451675d-2*gammaaa*t11*t12*t26*t27-9.8141 2096 4 03802890335d-3*gammaaa*t15*t23*t27-4.9070519014451675d-2* 2097 5 gammaaa*t15*t21*t22*t27-3.925641521156134d-2*gammaaa*t15* 2098 6 t19*t20*t27-2.9442311408671007d-2*gammaaa*t15*t17*t18*t27 2099 7 -1.962820760578067d-2*gammaaa*t14*t15*t16*t27 2100 t29 = 1.4721155704335503d-2*t10*t9+1.1040866778251626d-2*t7* 2101 1 t8+7.360577852167751d-3*t2*t6+3.6802889260838756d-3*t13+1 2102 2 .8401444630419378d-2*t11*t12 2103 t30 = 1/rhoa**6.666666666666666d-1 2104 t31 = gammaaa**2 2105 t32 = 1/t5**4 2106 t33 = 1/rhoa**7.333333333333333d+0 2107 t34 = 1/t5**3 2108 t35 = 1/rhoa**4.666666666666667d+0 2109 t36 = exp(-7.360577852167751d-3*gammaaa*t3) 2110 t37 = 1.4394018910905823d-1*gammaaa*t10*t26*t35*t9-7.7053306 2111 1 76312523d-4*t10*t31*t33*t34*t9+1.9263326690781307d-3*t12* 2112 2 t31*t32*t33*t9+1.0795514183179368d-1*gammaaa*t26*t35*t7*t 2113 3 8-5.778998007234393d-4*t31*t33*t34*t7*t8+5.77899800723439 2114 4 3d-4*t31*t32*t33*t6*t8+1.1557996014468785d-3*t10*t31*t32* 2115 5 t33*t7+7.197009455452912d-2*gammaaa*t2*t26*t35*t6-3.85266 2116 6 53381562614d-4*t2*t31*t33*t34*t6+1.9263326690781307d-3*t1 2117 7 9*t22*t31*t33*t36+1.1557996014468785d-3*t17*t20*t31*t33*t 2118 8 36+5.778998007234393d-4*t16*t18*t31*t33*t36+1.92633266907 2119 9 81307d-4*t14*t31*t33*t36+3.598504727726456d-2*gammaaa*t13 2120 : *t26*t35+1.799252363863228d-1*gammaaa*t11*t12*t26*t35+3.5 2121 ; 98504727726456d-2*gammaaa*t15*t23*t35+1.799252363863228d- 2122 < 1*gammaaa*t15*t21*t22*t35+1.4394018910905823d-1*gammaaa*t 2123 = 15*t19*t20*t35+1.0795514183179368d-1*gammaaa*t15*t17*t18* 2124 > t35+7.197009455452912d-2*gammaaa*t14*t15*t16*t35-1.926332 2125 ? 6690781307d-4*t13*t31*t33*t34-9.631663345390654d-4*t11*t1 2126 @ 2*t31*t33*t34+1.9263326690781307d-4*t2*t31*t32*t33-9.6316 2127 1 63345390653d-5*t15*t23*t31*t33-4.815831672695327d-4*t15*t 2128 2 21*t22*t31*t33-3.8526653381562614d-4*t15*t19*t20*t31*t33- 2129 3 2.8894990036171964d-4*t15*t17*t18*t31*t33-1.9263326690781 2130 4 307d-4*t14*t15*t16*t31*t33 2131 t38 = 1/rhoa**6.333333333333333d+0 2132 t39 = 2.8894990036171964d-4*gammaaa*t10*t34*t38*t9-7.2237475 2133 1 0904299d-4*gammaaa*t12*t32*t38*t9-3.925641521156134d-2*t1 2134 2 0*t26*t27*t9+2.167124252712897d-4*gammaaa*t34*t38*t7*t8-2 2135 3 .9442311408671007d-2*t26*t27*t7*t8-2.167124252712897d-4*g 2136 4 ammaaa*t32*t38*t6*t8-4.334248505425794d-4*gammaaa*t10*t32 2137 5 *t38*t7+1.4447495018085982d-4*gammaaa*t2*t34*t38*t6-1.962 2138 6 820760578067d-2*t2*t26*t27*t6-7.22374750904299d-4*gammaaa 2139 7 *t19*t22*t36*t38-4.334248505425794d-4*gammaaa*t17*t20*t36 2140 8 *t38-2.167124252712897d-4*gammaaa*t16*t18*t36*t38-7.22374 2141 9 750904299d-5*gammaaa*t14*t36*t38+7.22374750904299d-5*gamm 2142 : aaa*t13*t34*t38+3.611873754521495d-4*gammaaa*t11*t12*t34* 2143 ; t38-7.22374750904299d-5*gammaaa*t2*t32*t38+3.611873754521 2144 < 495d-5*gammaaa*t15*t23*t38+1.8059368772607476d-4*gammaaa* 2145 = t15*t21*t22*t38+1.4447495018085982d-4*gammaaa*t15*t19*t20 2146 > *t38+1.0835621263564485d-4*gammaaa*t15*t17*t18*t38+7.2237 2147 ? 4750904299d-5*gammaaa*t14*t15*t16*t38-9.814103802890335d- 2148 @ 3*t13*t26*t27-4.9070519014451675d-2*t11*t12*t26*t27-9.814 2149 1 103802890335d-3*t15*t23*t27-4.9070519014451675d-2*t15*t21 2150 2 *t22*t27-3.925641521156134d-2*t15*t19*t20*t27-2.944231140 2151 3 8671007d-2*t15*t17*t18*t27-1.962820760578067d-2*t14*t15*t 2152 4 16*t27 2153 t40 = 1.4721155704335503d-2*t10*t26*t3*t9+1.1040866778251626 2154 1 d-2*t26*t3*t7*t8+7.360577852167751d-3*t2*t26*t3*t6+3.6802 2155 2 889260838756d-3*t13*t26*t3+1.8401444630419378d-2*t11*t12* 2156 3 t26*t3+3.6802889260838756d-3*t15*t23*t3+1.840144463041937 2157 4 8d-2*t15*t21*t22*t3+1.4721155704335503d-2*t15*t19*t20*t3+ 2158 5 1.1040866778251626d-2*t15*t17*t18*t3+7.360577852167751d-3 2159 6 *t14*t15*t16*t3 2160 t41 = 1/rhoa**5.333333333333333d+0 2161 t42 = 2.708905315891122d-4*t12*t26*t3*t9+8.126715947673364d- 2162 1 5*t26*t3*t6*t8+1.625343189534673d-4*t10*t26*t3*t7+2.70890 2163 2 53158911214d-5*t2*t26*t3 2164 t43 = gammaaa**3 2165 t44 = 1/t5**6 2166 t45 = 1/rhoa**11 2167 t46 = 1/t5**5 2168 t47 = 1/rhoa**8.333333333333334d+0 2169 t48 = 1/rhoa**5.666666666666667d+0 2170 t49 = exp(-1.1040866778251626d-2*gammaaa*t3) 2171 t50 = 1/rhoa**10 2172 t51 = 1/rhoa**9 2173 fnc(iq) = fnc(iq)-9.305257363491002d-1*t1*t24*wght 2174 Amat(iq,D1_RA) = -9.305257363491002d-1*t1*t28*wght-1.2407009 2175 1 817988002d+0*t24*t25*wght+Amat(iq,D1_RA) 2176 Cmat(iq,D1_GAA) = Cmat(iq,D1_GAA)-9.305257363491002d-1*t1*(t 2177 1 26*t29*t3+(3.6802889260838756d-3*t15*t23+1.84014446304193 2178 2 78d-2*t15*t21*t22+1.4721155704335503d-2*t15*t19*t20+1.104 2179 3 0866778251626d-2*t15*t17*t18+7.360577852167751d-3*t14*t15 2180 4 *t16)*t3)*wght 2181 Amat2(iq,D2_RA_RA) = -9.305257363491002d-1*t1*t37*wght-4.135 2182 1 669939329334d-1*t24*t30*wght-2.4814019635976003d+0*t25*t2 2183 2 8*wght+Amat2(iq,D2_RA_RA) 2184 Cmat2(iq,D2_RA_GAA) = -1.2407009817988002d+0*t25*t40*wght-9. 2185 1 305257363491002d-1*t1*t39*wght+Cmat2(iq,D2_RA_GAA) 2186 Cmat2(iq,D2_GAA_GAA) = Cmat2(iq,D2_GAA_GAA)-9.30525736349100 2187 1 2d-1*t1*(t26*t3*t42-7.360577852167751d-3*t29*t34*t41+t3*( 2188 2 2.708905315891122d-4*t19*t22*t3*t36+1.625343189534673d-4* 2189 3 t17*t20*t3*t36+8.126715947673364d-5*t16*t18*t3*t36+2.7089 2190 4 053158911214d-5*t14*t3*t36-1.3544526579455607d-5*t15*t23* 2191 5 t3-6.772263289727805d-5*t15*t21*t22*t3-5.417810631782243d 2192 6 -5*t15*t19*t20*t3-4.063357973836682d-5*t15*t17*t18*t3-2.7 2193 7 089053158911214d-5*t14*t15*t16*t3))*wght 2194 Amat3(iq,D3_RA_RA_RA) = -9.305257363491002d-1*t1*(-6.7172088 2195 1 25089385d-1*gammaaa*t10*t26*t48*t9+8.475863743943775d-3*t 2196 2 10*t31*t34*t47*t9-2.1189659359859436d-2*t12*t31*t32*t47*t 2197 3 9+1.1343137263938945d-4*t12*t43*t45*t46*t9-2.268627452787 2198 4 7887d-5*t10*t32*t43*t45*t9-5.037906618817038d-1*gammaaa*t 2199 5 26*t48*t7*t8+6.356897807957831d-3*t31*t34*t47*t7*t8-1.701 2200 6 4705895908416d-5*t32*t43*t45*t7*t8-6.356897807957831d-3*t 2201 7 31*t32*t47*t6*t8+3.4029411791816827d-5*t43*t45*t46*t6*t8- 2202 8 5.671568631969471d-6*t43*t44*t45*t8-1.2713795615915663d-2 2203 9 *t10*t31*t32*t47*t7+6.805882358363365d-5*t10*t43*t45*t46* 2204 : t7-5.671568631969472d-5*t12*t43*t44*t45*t7-3.358604412544 2205 ; 6923d-1*gammaaa*t2*t26*t48*t6+4.237931871971887d-3*t2*t31 2206 < *t34*t47*t6-2.2686274527877887d-5*t10*t43*t44*t45*t6-1.13 2207 = 43137263938943d-5*t2*t32*t43*t45*t6-5.671568631969472d-5* 2208 > t17*t22*t43*t45*t49-2.2686274527877887d-5*t16*t20*t43*t45 2209 ? *t49-5.671568631969471d-6*t18*t43*t45*t49-1.6793022062723 2210 @ 462d-1*gammaaa*t13*t26*t48-8.396511031361731d-1*gammaaa*t 2211 1 11*t12*t26*t48-1.6793022062723462d-1*gammaaa*t15*t23*t48- 2212 2 8.396511031361731d-1*gammaaa*t15*t21*t22*t48-6.7172088250 2213 3 89385d-1*gammaaa*t15*t19*t20*t48-5.037906618817038d-1*gam 2214 4 maaa*t15*t17*t18*t48-3.3586044125446923d-1*gammaaa*t14*t1 2215 5 5*t16*t48-2.1189659359859436d-2*t19*t22*t31*t36*t47-1.271 2216 6 3795615915663d-2*t17*t20*t31*t36*t47-6.356897807957831d-3 2217 7 *t16*t18*t31*t36*t47-2.1189659359859436d-3*t14*t31*t36*t4 2218 8 7+2.1189659359859436d-3*t13*t31*t34*t47+1.059482967992971 2219 9 8d-2*t11*t12*t31*t34*t47-2.1189659359859436d-3*t2*t31*t32 2220 : *t47+1.0594829679929718d-3*t15*t23*t31*t47+5.297414839964 2221 ; 859d-3*t15*t21*t22*t31*t47+4.237931871971887d-3*t15*t19*t 2222 < 20*t31*t47+3.1784489039789154d-3*t15*t17*t18*t31*t47+2.11 2223 = 89659359859436d-3*t14*t15*t16*t31*t47+1.1343137263938943d 2224 > -5*t2*t43*t45*t46+5.671568631969472d-5*t19*t22*t36*t43*t4 2225 ? 5+3.4029411791816827d-5*t17*t20*t36*t43*t45+1.70147058959 2226 @ 08414d-5*t16*t18*t36*t43*t45+5.671568631969471d-6*t14*t36 2227 1 *t43*t45-5.671568631969471d-6*t13*t32*t43*t45-2.835784315 2228 2 984736d-5*t11*t12*t32*t43*t45-9.452614386615786d-7*t15*t2 2229 3 3*t43*t45-4.726307193307893d-6*t15*t21*t22*t43*t45-3.7810 2230 4 457546463144d-6*t15*t19*t20*t43*t45-2.8357843159847357d-6 2231 5 *t15*t17*t18*t43*t45-1.8905228773231572d-6*t14*t15*t16*t4 2232 6 3*t45)*wght-3.7221029453964005d+0*t25*t37*wght-1.24070098 2233 7 17988002d+0*t28*t30*wght+2.7571132928862224d-1*t24*wght/r 2234 8 hoa**1.6666666666666669d+0+Amat3(iq,D3_RA_RA_RA) 2235 Cmat3(iq,D3_RA_RA_GAA) = -9.305257363491002d-1*t1*(-4.253676 2236 1 4739771044d-5*t12*t31*t46*t50*t9+8.507352947954206d-6*t10 2237 2 *t31*t32*t50*t9+1.4394018910905823d-1*t10*t26*t35*t9-2.60 2238 3 0549103255476d-3*gammaaa*t10*t33*t34*t9+6.50137275813869d 2239 4 -3*gammaaa*t12*t32*t33*t9+6.380514710965656d-6*t31*t32*t5 2240 5 0*t7*t8+1.0795514183179368d-1*t26*t35*t7*t8-1.95041182744 2241 6 16074d-3*gammaaa*t33*t34*t7*t8-1.2761029421931314d-5*t31* 2242 7 t46*t50*t6*t8+1.9504118274416074d-3*gammaaa*t32*t33*t6*t8 2243 8 +2.1268382369885522d-6*t31*t44*t50*t8-2.552205884386262d- 2244 9 5*t10*t31*t46*t50*t7+2.1268382369885516d-5*t12*t31*t44*t5 2245 : 0*t7+3.900823654883215d-3*gammaaa*t10*t32*t33*t7+8.507352 2246 ; 947954209d-6*t10*t31*t44*t50*t6+4.253676473977103d-6*t2*t 2247 < 31*t32*t50*t6+7.197009455452912d-2*t2*t26*t35*t6-1.300274 2248 = 551627738d-3*gammaaa*t2*t33*t34*t6+2.1268382369885516d-5* 2249 > t17*t22*t31*t49*t50+8.507352947954209d-6*t16*t20*t31*t49* 2250 ? t50+2.1268382369885522d-6*t18*t31*t49*t50-4.2536764739771 2251 @ 03d-6*t2*t31*t46*t50-2.1268382369885522d-5*t19*t22*t31*t3 2252 1 6*t50-1.276102942193131d-5*t17*t20*t31*t36*t50-6.38051471 2253 2 0965657d-6*t16*t18*t31*t36*t50-2.1268382369885516d-6*t14* 2254 3 t31*t36*t50+2.1268382369885516d-6*t13*t31*t32*t50+1.06341 2255 4 91184942758d-5*t11*t12*t31*t32*t50+3.54473039498092d-7*t1 2256 5 5*t23*t31*t50+1.77236519749046d-6*t15*t21*t22*t31*t50+1.4 2257 6 178921579923678d-6*t15*t19*t20*t31*t50+1.0634191184942761 2258 7 d-6*t15*t17*t18*t31*t50+7.08946078996184d-7*t14*t15*t16*t 2259 8 31*t50+6.50137275813869d-3*gammaaa*t19*t22*t33*t36+3.9008 2260 9 23654883215d-3*gammaaa*t17*t20*t33*t36+1.9504118274416074 2261 : d-3*gammaaa*t16*t18*t33*t36+6.501372758138692d-4*gammaaa* 2262 ; t14*t33*t36+3.598504727726456d-2*t13*t26*t35+1.7992523638 2263 < 63228d-1*t11*t12*t26*t35+3.598504727726456d-2*t15*t23*t35 2264 = +1.799252363863228d-1*t15*t21*t22*t35+1.4394018910905823d 2265 > -1*t15*t19*t20*t35+1.0795514183179368d-1*t15*t17*t18*t35+ 2266 ? 7.197009455452912d-2*t14*t15*t16*t35-6.501372758138692d-4 2267 @ *gammaaa*t13*t33*t34-3.250686379069345d-3*gammaaa*t11*t12 2268 1 *t33*t34+6.501372758138692d-4*gammaaa*t2*t32*t33-3.250686 2269 2 379069346d-4*gammaaa*t15*t23*t33-1.6253431895346726d-3*ga 2270 3 mmaaa*t15*t21*t22*t33-1.300274551627738d-3*gammaaa*t15*t1 2271 4 9*t20*t33-9.752059137208037d-4*gammaaa*t15*t17*t18*t33-6. 2272 5 501372758138692d-4*gammaaa*t14*t15*t16*t33)*wght-4.135669 2273 6 939329334d-1*t30*t40*wght-2.4814019635976003d+0*t25*t39*w 2274 7 ght+Cmat3(iq,D3_RA_RA_GAA) 2275 Cmat3(iq,D3_RA_GAA_GAA) = -9.305257363491002d-1*t1*(1.595128 2276 1 677741414d-5*gammaaa*t12*t46*t51*t9-3.190257355482828d-6* 2277 2 gammaaa*t10*t32*t51*t9+5.778998007234393d-4*t10*t34*t38*t 2278 3 9-1.4447495018085982d-3*t12*t32*t38*t9-2.3926930166121207 2279 4 d-6*gammaaa*t32*t51*t7*t8+4.334248505425794d-4*t34*t38*t7 2280 5 *t8+4.785386033224242d-6*gammaaa*t46*t51*t6*t8-4.33424850 2281 6 5425794d-4*t32*t38*t6*t8-7.97564338870707d-7*gammaaa*t44* 2282 7 t51*t8+9.570772066448484d-6*gammaaa*t10*t46*t51*t7-7.9756 2283 8 4338870707d-6*gammaaa*t12*t44*t51*t7-8.668497010851588d-4 2284 9 *t10*t32*t38*t7-3.190257355482828d-6*gammaaa*t10*t44*t51* 2285 : t6-1.595128677741414d-6*gammaaa*t2*t32*t51*t6+2.889499003 2286 ; 6171964d-4*t2*t34*t38*t6-7.97564338870707d-6*gammaaa*t17* 2287 < t22*t49*t51-3.190257355482828d-6*gammaaa*t16*t20*t49*t51- 2288 = 7.97564338870707d-7*gammaaa*t18*t49*t51+1.595128677741414 2289 > 2d-6*gammaaa*t2*t46*t51+7.97564338870707d-6*gammaaa*t19*t 2290 ? 22*t36*t51+4.785386033224242d-6*gammaaa*t17*t20*t36*t51+2 2291 @ .392693016612121d-6*gammaaa*t16*t18*t36*t51+7.97564338870 2292 1 7071d-7*gammaaa*t14*t36*t51-7.97564338870707d-7*gammaaa*t 2293 2 13*t32*t51-3.987821694353535d-6*gammaaa*t11*t12*t32*t51-1 2294 3 .329273898117845d-7*gammaaa*t15*t23*t51-6.646369490589226 2295 4 d-7*gammaaa*t15*t21*t22*t51-5.31709559247138d-7*gammaaa*t 2296 5 15*t19*t20*t51-3.987821694353535d-7*gammaaa*t15*t17*t18*t 2297 6 51-2.65854779623569d-7*gammaaa*t14*t15*t16*t51-1.44474950 2298 7 18085982d-3*t19*t22*t36*t38-8.668497010851588d-4*t17*t20* 2299 8 t36*t38-4.334248505425794d-4*t16*t18*t36*t38-1.4447495018 2300 9 085982d-4*t14*t36*t38+1.4447495018085982d-4*t13*t34*t38+7 2301 : .22374750904299d-4*t11*t12*t34*t38-1.4447495018085982d-4* 2302 ; t2*t32*t38+7.22374750904299d-5*t15*t23*t38+3.611873754521 2303 < 495d-4*t15*t21*t22*t38+2.8894990036171964d-4*t15*t19*t20* 2304 = t38+2.167124252712897d-4*t15*t17*t18*t38+1.44474950180859 2305 > 82d-4*t14*t15*t16*t38)*wght-1.2407009817988002d+0*t25*(-1 2306 ? .0835621263564485d-4*t10*t34*t41*t9+2.708905315891122d-4* 2307 @ t12*t32*t41*t9-8.126715947673364d-5*t34*t41*t7*t8+8.12671 2308 1 5947673364d-5*t32*t41*t6*t8+1.625343189534673d-4*t10*t32* 2309 2 t41*t7-5.417810631782243d-5*t2*t34*t41*t6+2.7089053158911 2310 3 22d-4*t19*t22*t36*t41+1.625343189534673d-4*t17*t20*t36*t4 2311 4 1+8.126715947673364d-5*t16*t18*t36*t41+2.7089053158911214 2312 5 d-5*t14*t36*t41-2.7089053158911214d-5*t13*t34*t41-1.35445 2313 6 2657945561d-4*t11*t12*t34*t41+2.7089053158911214d-5*t2*t3 2314 7 2*t41-1.3544526579455607d-5*t15*t23*t41-6.772263289727805 2315 8 d-5*t15*t21*t22*t41-5.417810631782243d-5*t15*t19*t20*t41- 2316 9 4.063357973836682d-5*t15*t17*t18*t41-2.7089053158911214d- 2317 : 5*t14*t15*t16*t41)*wght+Cmat3(iq,D3_RA_GAA_GAA) 2318 Cmat3(iq,D3_GAA_GAA_GAA) = Cmat3(iq,D3_GAA_GAA_GAA)-9.305257 2319 1 363491002d-1*t1*(t26*t3*(-1.9939108471767675d-6*t12*t34*t 2320 2 41*t9-5.981732541530301d-7*t34*t41*t6*t8+2.99086627076515 2321 3 07d-7*t32*t41*t8-1.1963465083060604d-6*t10*t34*t41*t7+2.9 2322 4 90866270765151d-6*t12*t32*t41*t7+1.1963465083060604d-6*t1 2323 5 0*t32*t41*t6-1.9939108471767675d-7*t2*t34*t41)+t3*(2.9908 2324 6 66270765151d-6*t17*t22*t41*t49+1.1963465083060604d-6*t16* 2325 7 t20*t41*t49+2.9908662707651507d-7*t18*t41*t49-2.990866270 2326 8 765151d-6*t19*t22*t36*t41-1.7945197624590903d-6*t17*t20*t 2327 9 36*t41-8.972598812295453d-7*t16*t18*t36*t41-2.99086627076 2328 : 5151d-7*t14*t36*t41+4.9847771179419187d-8*t15*t23*t41+2.4 2329 ; 923885589709593d-7*t15*t21*t22*t41+1.9939108471767675d-7* 2330 < t15*t19*t20*t41+1.4954331353825753d-7*t15*t17*t18*t41+9.9 2331 = 69554235883837d-8*t14*t15*t16*t41)-1.4721155704335503d-2* 2332 > t34*t41*t42+8.126715947673364d-5*t29*t32/rhoa**8)*wght 2333 elseif (rhoa.le.tol_rho.and.rhob.gt.tol_rho) then 2334 t1 = rhob**1.3333333333333333d+0 2335 t2 = param(3) 2336 t3 = 1/rhob**2.6666666666666666d+0 2337 t4 = 3.6802889260838756d-3*gammabb*t3 2338 t5 = t4+1.0d+0 2339 t6 = 1.0d+0-1.0d+0/t5 2340 t7 = t6**2.0d+0 2341 t8 = param(4) 2342 t9 = t6**3.0d+0 2343 t10 = param(5) 2344 t11 = t6**4.0d+0 2345 t12 = param(6) 2346 t13 = param(2) 2347 t14 = param(9) 2348 t15 = exp(-t4) 2349 t16 = 1.0d+0-t15 2350 t17 = t16**2.0d+0 2351 t18 = param(10) 2352 t19 = t16**3.0d+0 2353 t20 = param(11) 2354 t21 = t16**4.0d+0 2355 t22 = param(12) 2356 t23 = param(8) 2357 t24 = t8*t9+t2*t7+t12*t6**5.0d+0+t13*t6+t16*t23+t16**5.0d+0* 2358 1 t22+t20*t21+t18*t19+t14*t17+t10*t11+param(7)+param(1) 2359 t25 = rhob**3.333333333333333d-1 2360 t26 = 1/t5**2 2361 t27 = 1/rhob**3.6666666666666664d+0 2362 t28 = -3.925641521156134d-2*gammabb*t10*t26*t27*t9-2.9442311 2363 1 408671007d-2*gammabb*t26*t27*t7*t8-1.962820760578067d-2*g 2364 2 ammabb*t2*t26*t27*t6-9.814103802890335d-3*gammabb*t13*t26 2365 3 *t27-4.9070519014451675d-2*gammabb*t11*t12*t26*t27-9.8141 2366 4 03802890335d-3*gammabb*t15*t23*t27-4.9070519014451675d-2* 2367 5 gammabb*t15*t21*t22*t27-3.925641521156134d-2*gammabb*t15* 2368 6 t19*t20*t27-2.9442311408671007d-2*gammabb*t15*t17*t18*t27 2369 7 -1.962820760578067d-2*gammabb*t14*t15*t16*t27 2370 t29 = 1.4721155704335503d-2*t10*t9+1.1040866778251626d-2*t7* 2371 1 t8+7.360577852167751d-3*t2*t6+3.6802889260838756d-3*t13+1 2372 2 .8401444630419378d-2*t11*t12 2373 t30 = 1/rhob**6.666666666666666d-1 2374 t31 = gammabb**2 2375 t32 = 1/t5**4 2376 t33 = 1/rhob**7.333333333333333d+0 2377 t34 = 1/t5**3 2378 t35 = 1/rhob**4.666666666666667d+0 2379 t36 = exp(-7.360577852167751d-3*gammabb*t3) 2380 t37 = 1.4394018910905823d-1*gammabb*t10*t26*t35*t9-7.7053306 2381 1 76312523d-4*t10*t31*t33*t34*t9+1.9263326690781307d-3*t12* 2382 2 t31*t32*t33*t9+1.0795514183179368d-1*gammabb*t26*t35*t7*t 2383 3 8-5.778998007234393d-4*t31*t33*t34*t7*t8+5.77899800723439 2384 4 3d-4*t31*t32*t33*t6*t8+1.1557996014468785d-3*t10*t31*t32* 2385 5 t33*t7+7.197009455452912d-2*gammabb*t2*t26*t35*t6-3.85266 2386 6 53381562614d-4*t2*t31*t33*t34*t6+1.9263326690781307d-3*t1 2387 7 9*t22*t31*t33*t36+1.1557996014468785d-3*t17*t20*t31*t33*t 2388 8 36+5.778998007234393d-4*t16*t18*t31*t33*t36+1.92633266907 2389 9 81307d-4*t14*t31*t33*t36+3.598504727726456d-2*gammabb*t13 2390 : *t26*t35+1.799252363863228d-1*gammabb*t11*t12*t26*t35+3.5 2391 ; 98504727726456d-2*gammabb*t15*t23*t35+1.799252363863228d- 2392 < 1*gammabb*t15*t21*t22*t35+1.4394018910905823d-1*gammabb*t 2393 = 15*t19*t20*t35+1.0795514183179368d-1*gammabb*t15*t17*t18* 2394 > t35+7.197009455452912d-2*gammabb*t14*t15*t16*t35-1.926332 2395 ? 6690781307d-4*t13*t31*t33*t34-9.631663345390654d-4*t11*t1 2396 @ 2*t31*t33*t34+1.9263326690781307d-4*t2*t31*t32*t33-9.6316 2397 1 63345390653d-5*t15*t23*t31*t33-4.815831672695327d-4*t15*t 2398 2 21*t22*t31*t33-3.8526653381562614d-4*t15*t19*t20*t31*t33- 2399 3 2.8894990036171964d-4*t15*t17*t18*t31*t33-1.9263326690781 2400 4 307d-4*t14*t15*t16*t31*t33 2401 t38 = 1/rhob**6.333333333333333d+0 2402 t39 = 2.8894990036171964d-4*gammabb*t10*t34*t38*t9-7.2237475 2403 1 0904299d-4*gammabb*t12*t32*t38*t9-3.925641521156134d-2*t1 2404 2 0*t26*t27*t9+2.167124252712897d-4*gammabb*t34*t38*t7*t8-2 2405 3 .9442311408671007d-2*t26*t27*t7*t8-2.167124252712897d-4*g 2406 4 ammabb*t32*t38*t6*t8-4.334248505425794d-4*gammabb*t10*t32 2407 5 *t38*t7+1.4447495018085982d-4*gammabb*t2*t34*t38*t6-1.962 2408 6 820760578067d-2*t2*t26*t27*t6-7.22374750904299d-4*gammabb 2409 7 *t19*t22*t36*t38-4.334248505425794d-4*gammabb*t17*t20*t36 2410 8 *t38-2.167124252712897d-4*gammabb*t16*t18*t36*t38-7.22374 2411 9 750904299d-5*gammabb*t14*t36*t38+7.22374750904299d-5*gamm 2412 : abb*t13*t34*t38+3.611873754521495d-4*gammabb*t11*t12*t34* 2413 ; t38-7.22374750904299d-5*gammabb*t2*t32*t38+3.611873754521 2414 < 495d-5*gammabb*t15*t23*t38+1.8059368772607476d-4*gammabb* 2415 = t15*t21*t22*t38+1.4447495018085982d-4*gammabb*t15*t19*t20 2416 > *t38+1.0835621263564485d-4*gammabb*t15*t17*t18*t38+7.2237 2417 ? 4750904299d-5*gammabb*t14*t15*t16*t38-9.814103802890335d- 2418 @ 3*t13*t26*t27-4.9070519014451675d-2*t11*t12*t26*t27-9.814 2419 1 103802890335d-3*t15*t23*t27-4.9070519014451675d-2*t15*t21 2420 2 *t22*t27-3.925641521156134d-2*t15*t19*t20*t27-2.944231140 2421 3 8671007d-2*t15*t17*t18*t27-1.962820760578067d-2*t14*t15*t 2422 4 16*t27 2423 t40 = 1.4721155704335503d-2*t10*t26*t3*t9+1.1040866778251626 2424 1 d-2*t26*t3*t7*t8+7.360577852167751d-3*t2*t26*t3*t6+3.6802 2425 2 889260838756d-3*t13*t26*t3+1.8401444630419378d-2*t11*t12* 2426 3 t26*t3+3.6802889260838756d-3*t15*t23*t3+1.840144463041937 2427 4 8d-2*t15*t21*t22*t3+1.4721155704335503d-2*t15*t19*t20*t3+ 2428 5 1.1040866778251626d-2*t15*t17*t18*t3+7.360577852167751d-3 2429 6 *t14*t15*t16*t3 2430 t41 = 1/rhob**5.333333333333333d+0 2431 t42 = 2.708905315891122d-4*t12*t26*t3*t9+8.126715947673364d- 2432 1 5*t26*t3*t6*t8+1.625343189534673d-4*t10*t26*t3*t7+2.70890 2433 2 53158911214d-5*t2*t26*t3 2434 t43 = gammabb**3 2435 t44 = 1/t5**6 2436 t45 = 1/rhob**11 2437 t46 = 1/t5**5 2438 t47 = 1/rhob**8.333333333333334d+0 2439 t48 = 1/rhob**5.666666666666667d+0 2440 t49 = exp(-1.1040866778251626d-2*gammabb*t3) 2441 t50 = 1/rhob**10 2442 t51 = 1/rhob**9 2443 fnc(iq) = fnc(iq)-9.305257363491002d-1*t1*t24*wght 2444 Amat(iq,D1_RB) = -9.305257363491002d-1*t1*t28*wght-1.2407009 2445 1 817988002d+0*t24*t25*wght+Amat(iq,D1_RB) 2446 Cmat(iq,D1_GBB) = Cmat(iq,D1_GBB)-9.305257363491002d-1*t1*(t 2447 1 26*t29*t3+(3.6802889260838756d-3*t15*t23+1.84014446304193 2448 2 78d-2*t15*t21*t22+1.4721155704335503d-2*t15*t19*t20+1.104 2449 3 0866778251626d-2*t15*t17*t18+7.360577852167751d-3*t14*t15 2450 4 *t16)*t3)*wght 2451 Amat2(iq,D2_RB_RB) = -9.305257363491002d-1*t1*t37*wght-4.135 2452 1 669939329334d-1*t24*t30*wght-2.4814019635976003d+0*t25*t2 2453 2 8*wght+Amat2(iq,D2_RB_RB) 2454 Cmat2(iq,D2_RB_GBB) = -1.2407009817988002d+0*t25*t40*wght-9. 2455 1 305257363491002d-1*t1*t39*wght+Cmat2(iq,D2_RB_GBB) 2456 Cmat2(iq,D2_GBB_GBB) = Cmat2(iq,D2_GBB_GBB)-9.30525736349100 2457 1 2d-1*t1*(t26*t3*t42-7.360577852167751d-3*t29*t34*t41+t3*( 2458 2 2.708905315891122d-4*t19*t22*t3*t36+1.625343189534673d-4* 2459 3 t17*t20*t3*t36+8.126715947673364d-5*t16*t18*t3*t36+2.7089 2460 4 053158911214d-5*t14*t3*t36-1.3544526579455607d-5*t15*t23* 2461 5 t3-6.772263289727805d-5*t15*t21*t22*t3-5.417810631782243d 2462 6 -5*t15*t19*t20*t3-4.063357973836682d-5*t15*t17*t18*t3-2.7 2463 7 089053158911214d-5*t14*t15*t16*t3))*wght 2464 Amat3(iq,D3_RB_RB_RB) = -9.305257363491002d-1*t1*(-6.7172088 2465 1 25089385d-1*gammabb*t10*t26*t48*t9+8.475863743943775d-3*t 2466 2 10*t31*t34*t47*t9-2.1189659359859436d-2*t12*t31*t32*t47*t 2467 3 9+1.1343137263938945d-4*t12*t43*t45*t46*t9-2.268627452787 2468 4 7887d-5*t10*t32*t43*t45*t9-5.037906618817038d-1*gammabb*t 2469 5 26*t48*t7*t8+6.356897807957831d-3*t31*t34*t47*t7*t8-1.701 2470 6 4705895908416d-5*t32*t43*t45*t7*t8-6.356897807957831d-3*t 2471 7 31*t32*t47*t6*t8+3.4029411791816827d-5*t43*t45*t46*t6*t8- 2472 8 5.671568631969471d-6*t43*t44*t45*t8-1.2713795615915663d-2 2473 9 *t10*t31*t32*t47*t7+6.805882358363365d-5*t10*t43*t45*t46* 2474 : t7-5.671568631969472d-5*t12*t43*t44*t45*t7-3.358604412544 2475 ; 6923d-1*gammabb*t2*t26*t48*t6+4.237931871971887d-3*t2*t31 2476 < *t34*t47*t6-2.2686274527877887d-5*t10*t43*t44*t45*t6-1.13 2477 = 43137263938943d-5*t2*t32*t43*t45*t6-5.671568631969472d-5* 2478 > t17*t22*t43*t45*t49-2.2686274527877887d-5*t16*t20*t43*t45 2479 ? *t49-5.671568631969471d-6*t18*t43*t45*t49-1.6793022062723 2480 @ 462d-1*gammabb*t13*t26*t48-8.396511031361731d-1*gammabb*t 2481 1 11*t12*t26*t48-1.6793022062723462d-1*gammabb*t15*t23*t48- 2482 2 8.396511031361731d-1*gammabb*t15*t21*t22*t48-6.7172088250 2483 3 89385d-1*gammabb*t15*t19*t20*t48-5.037906618817038d-1*gam 2484 4 mabb*t15*t17*t18*t48-3.3586044125446923d-1*gammabb*t14*t1 2485 5 5*t16*t48-2.1189659359859436d-2*t19*t22*t31*t36*t47-1.271 2486 6 3795615915663d-2*t17*t20*t31*t36*t47-6.356897807957831d-3 2487 7 *t16*t18*t31*t36*t47-2.1189659359859436d-3*t14*t31*t36*t4 2488 8 7+2.1189659359859436d-3*t13*t31*t34*t47+1.059482967992971 2489 9 8d-2*t11*t12*t31*t34*t47-2.1189659359859436d-3*t2*t31*t32 2490 : *t47+1.0594829679929718d-3*t15*t23*t31*t47+5.297414839964 2491 ; 859d-3*t15*t21*t22*t31*t47+4.237931871971887d-3*t15*t19*t 2492 < 20*t31*t47+3.1784489039789154d-3*t15*t17*t18*t31*t47+2.11 2493 = 89659359859436d-3*t14*t15*t16*t31*t47+1.1343137263938943d 2494 > -5*t2*t43*t45*t46+5.671568631969472d-5*t19*t22*t36*t43*t4 2495 ? 5+3.4029411791816827d-5*t17*t20*t36*t43*t45+1.70147058959 2496 @ 08414d-5*t16*t18*t36*t43*t45+5.671568631969471d-6*t14*t36 2497 1 *t43*t45-5.671568631969471d-6*t13*t32*t43*t45-2.835784315 2498 2 984736d-5*t11*t12*t32*t43*t45-9.452614386615786d-7*t15*t2 2499 3 3*t43*t45-4.726307193307893d-6*t15*t21*t22*t43*t45-3.7810 2500 4 457546463144d-6*t15*t19*t20*t43*t45-2.8357843159847357d-6 2501 5 *t15*t17*t18*t43*t45-1.8905228773231572d-6*t14*t15*t16*t4 2502 6 3*t45)*wght-3.7221029453964005d+0*t25*t37*wght-1.24070098 2503 7 17988002d+0*t28*t30*wght+2.7571132928862224d-1*t24*wght/r 2504 8 hob**1.6666666666666669d+0+Amat3(iq,D3_RB_RB_RB) 2505 Cmat3(iq,D3_RB_RB_GBB) = -9.305257363491002d-1*t1*(-4.253676 2506 1 4739771044d-5*t12*t31*t46*t50*t9+8.507352947954206d-6*t10 2507 2 *t31*t32*t50*t9+1.4394018910905823d-1*t10*t26*t35*t9-2.60 2508 3 0549103255476d-3*gammabb*t10*t33*t34*t9+6.50137275813869d 2509 4 -3*gammabb*t12*t32*t33*t9+6.380514710965656d-6*t31*t32*t5 2510 5 0*t7*t8+1.0795514183179368d-1*t26*t35*t7*t8-1.95041182744 2511 6 16074d-3*gammabb*t33*t34*t7*t8-1.2761029421931314d-5*t31* 2512 7 t46*t50*t6*t8+1.9504118274416074d-3*gammabb*t32*t33*t6*t8 2513 8 +2.1268382369885522d-6*t31*t44*t50*t8-2.552205884386262d- 2514 9 5*t10*t31*t46*t50*t7+2.1268382369885516d-5*t12*t31*t44*t5 2515 : 0*t7+3.900823654883215d-3*gammabb*t10*t32*t33*t7+8.507352 2516 ; 947954209d-6*t10*t31*t44*t50*t6+4.253676473977103d-6*t2*t 2517 < 31*t32*t50*t6+7.197009455452912d-2*t2*t26*t35*t6-1.300274 2518 = 551627738d-3*gammabb*t2*t33*t34*t6+2.1268382369885516d-5* 2519 > t17*t22*t31*t49*t50+8.507352947954209d-6*t16*t20*t31*t49* 2520 ? t50+2.1268382369885522d-6*t18*t31*t49*t50-4.2536764739771 2521 @ 03d-6*t2*t31*t46*t50-2.1268382369885522d-5*t19*t22*t31*t3 2522 1 6*t50-1.276102942193131d-5*t17*t20*t31*t36*t50-6.38051471 2523 2 0965657d-6*t16*t18*t31*t36*t50-2.1268382369885516d-6*t14* 2524 3 t31*t36*t50+2.1268382369885516d-6*t13*t31*t32*t50+1.06341 2525 4 91184942758d-5*t11*t12*t31*t32*t50+3.54473039498092d-7*t1 2526 5 5*t23*t31*t50+1.77236519749046d-6*t15*t21*t22*t31*t50+1.4 2527 6 178921579923678d-6*t15*t19*t20*t31*t50+1.0634191184942761 2528 7 d-6*t15*t17*t18*t31*t50+7.08946078996184d-7*t14*t15*t16*t 2529 8 31*t50+6.50137275813869d-3*gammabb*t19*t22*t33*t36+3.9008 2530 9 23654883215d-3*gammabb*t17*t20*t33*t36+1.9504118274416074 2531 : d-3*gammabb*t16*t18*t33*t36+6.501372758138692d-4*gammabb* 2532 ; t14*t33*t36+3.598504727726456d-2*t13*t26*t35+1.7992523638 2533 < 63228d-1*t11*t12*t26*t35+3.598504727726456d-2*t15*t23*t35 2534 = +1.799252363863228d-1*t15*t21*t22*t35+1.4394018910905823d 2535 > -1*t15*t19*t20*t35+1.0795514183179368d-1*t15*t17*t18*t35+ 2536 ? 7.197009455452912d-2*t14*t15*t16*t35-6.501372758138692d-4 2537 @ *gammabb*t13*t33*t34-3.250686379069345d-3*gammabb*t11*t12 2538 1 *t33*t34+6.501372758138692d-4*gammabb*t2*t32*t33-3.250686 2539 2 379069346d-4*gammabb*t15*t23*t33-1.6253431895346726d-3*ga 2540 3 mmabb*t15*t21*t22*t33-1.300274551627738d-3*gammabb*t15*t1 2541 4 9*t20*t33-9.752059137208037d-4*gammabb*t15*t17*t18*t33-6. 2542 5 501372758138692d-4*gammabb*t14*t15*t16*t33)*wght-4.135669 2543 6 939329334d-1*t30*t40*wght-2.4814019635976003d+0*t25*t39*w 2544 7 ght+Cmat3(iq,D3_RB_RB_GBB) 2545 Cmat3(iq,D3_RB_GBB_GBB) = -9.305257363491002d-1*t1*(1.595128 2546 1 677741414d-5*gammabb*t12*t46*t51*t9-3.190257355482828d-6* 2547 2 gammabb*t10*t32*t51*t9+5.778998007234393d-4*t10*t34*t38*t 2548 3 9-1.4447495018085982d-3*t12*t32*t38*t9-2.3926930166121207 2549 4 d-6*gammabb*t32*t51*t7*t8+4.334248505425794d-4*t34*t38*t7 2550 5 *t8+4.785386033224242d-6*gammabb*t46*t51*t6*t8-4.33424850 2551 6 5425794d-4*t32*t38*t6*t8-7.97564338870707d-7*gammabb*t44* 2552 7 t51*t8+9.570772066448484d-6*gammabb*t10*t46*t51*t7-7.9756 2553 8 4338870707d-6*gammabb*t12*t44*t51*t7-8.668497010851588d-4 2554 9 *t10*t32*t38*t7-3.190257355482828d-6*gammabb*t10*t44*t51* 2555 : t6-1.595128677741414d-6*gammabb*t2*t32*t51*t6+2.889499003 2556 ; 6171964d-4*t2*t34*t38*t6-7.97564338870707d-6*gammabb*t17* 2557 < t22*t49*t51-3.190257355482828d-6*gammabb*t16*t20*t49*t51- 2558 = 7.97564338870707d-7*gammabb*t18*t49*t51+1.595128677741414 2559 > 2d-6*gammabb*t2*t46*t51+7.97564338870707d-6*gammabb*t19*t 2560 ? 22*t36*t51+4.785386033224242d-6*gammabb*t17*t20*t36*t51+2 2561 @ .392693016612121d-6*gammabb*t16*t18*t36*t51+7.97564338870 2562 1 7071d-7*gammabb*t14*t36*t51-7.97564338870707d-7*gammabb*t 2563 2 13*t32*t51-3.987821694353535d-6*gammabb*t11*t12*t32*t51-1 2564 3 .329273898117845d-7*gammabb*t15*t23*t51-6.646369490589226 2565 4 d-7*gammabb*t15*t21*t22*t51-5.31709559247138d-7*gammabb*t 2566 5 15*t19*t20*t51-3.987821694353535d-7*gammabb*t15*t17*t18*t 2567 6 51-2.65854779623569d-7*gammabb*t14*t15*t16*t51-1.44474950 2568 7 18085982d-3*t19*t22*t36*t38-8.668497010851588d-4*t17*t20* 2569 8 t36*t38-4.334248505425794d-4*t16*t18*t36*t38-1.4447495018 2570 9 085982d-4*t14*t36*t38+1.4447495018085982d-4*t13*t34*t38+7 2571 : .22374750904299d-4*t11*t12*t34*t38-1.4447495018085982d-4* 2572 ; t2*t32*t38+7.22374750904299d-5*t15*t23*t38+3.611873754521 2573 < 495d-4*t15*t21*t22*t38+2.8894990036171964d-4*t15*t19*t20* 2574 = t38+2.167124252712897d-4*t15*t17*t18*t38+1.44474950180859 2575 > 82d-4*t14*t15*t16*t38)*wght-1.2407009817988002d+0*t25*(-1 2576 ? .0835621263564485d-4*t10*t34*t41*t9+2.708905315891122d-4* 2577 @ t12*t32*t41*t9-8.126715947673364d-5*t34*t41*t7*t8+8.12671 2578 1 5947673364d-5*t32*t41*t6*t8+1.625343189534673d-4*t10*t32* 2579 2 t41*t7-5.417810631782243d-5*t2*t34*t41*t6+2.7089053158911 2580 3 22d-4*t19*t22*t36*t41+1.625343189534673d-4*t17*t20*t36*t4 2581 4 1+8.126715947673364d-5*t16*t18*t36*t41+2.7089053158911214 2582 5 d-5*t14*t36*t41-2.7089053158911214d-5*t13*t34*t41-1.35445 2583 6 2657945561d-4*t11*t12*t34*t41+2.7089053158911214d-5*t2*t3 2584 7 2*t41-1.3544526579455607d-5*t15*t23*t41-6.772263289727805 2585 8 d-5*t15*t21*t22*t41-5.417810631782243d-5*t15*t19*t20*t41- 2586 9 4.063357973836682d-5*t15*t17*t18*t41-2.7089053158911214d- 2587 : 5*t14*t15*t16*t41)*wght+Cmat3(iq,D3_RB_GBB_GBB) 2588 Cmat3(iq,D3_GBB_GBB_GBB) = Cmat3(iq,D3_GBB_GBB_GBB)-9.305257 2589 1 363491002d-1*t1*(t26*t3*(-1.9939108471767675d-6*t12*t34*t 2590 2 41*t9-5.981732541530301d-7*t34*t41*t6*t8+2.99086627076515 2591 3 07d-7*t32*t41*t8-1.1963465083060604d-6*t10*t34*t41*t7+2.9 2592 4 90866270765151d-6*t12*t32*t41*t7+1.1963465083060604d-6*t1 2593 5 0*t32*t41*t6-1.9939108471767675d-7*t2*t34*t41)+t3*(2.9908 2594 6 66270765151d-6*t17*t22*t41*t49+1.1963465083060604d-6*t16* 2595 7 t20*t41*t49+2.9908662707651507d-7*t18*t41*t49-2.990866270 2596 8 765151d-6*t19*t22*t36*t41-1.7945197624590903d-6*t17*t20*t 2597 9 36*t41-8.972598812295453d-7*t16*t18*t36*t41-2.99086627076 2598 : 5151d-7*t14*t36*t41+4.9847771179419187d-8*t15*t23*t41+2.4 2599 ; 923885589709593d-7*t15*t21*t22*t41+1.9939108471767675d-7* 2600 < t15*t19*t20*t41+1.4954331353825753d-7*t15*t17*t18*t41+9.9 2601 = 69554235883837d-8*t14*t15*t16*t41)-1.4721155704335503d-2* 2602 > t34*t41*t42+8.126715947673364d-5*t29*t32/rhob**8)*wght 2603 endif ! rhoa.gt.tol_rho.and.rhob.gt.tol_rho 2604 endif ! ipol.eq.1 2605 enddo ! iq 2606 end 2607C> @} 2608