Line data Source code
1 : !--------------------------------------------------------------------------------------------------!
2 : ! CP2K: A general program to perform molecular dynamics simulations !
3 : ! Copyright 2000-2025 CP2K developers group <https://cp2k.org> !
4 : ! !
5 : ! SPDX-License-Identifier: GPL-2.0-or-later !
6 : !--------------------------------------------------------------------------------------------------!
7 :
8 : ! **************************************************************************************************
9 : !> \par History
10 : !> 06.2004 created
11 : !> \author jgh
12 : ! **************************************************************************************************
13 : MODULE sto_ng
14 :
15 : USE kinds, ONLY: dp
16 : #include "../base/base_uses.f90"
17 :
18 : IMPLICIT NONE
19 : PRIVATE
20 :
21 : LOGICAL, PRIVATE, PARAMETER :: debug_this_module = .TRUE.
22 : CHARACTER(len=*), PARAMETER, PRIVATE :: moduleN = 'sto_ng'
23 :
24 : PUBLIC :: get_sto_ng
25 :
26 : ! **************************************************************************************************
27 : !> \brief return STO-NG parameters;
28 : !> INPUT: zeta (Slater exponent)
29 : !> n (Expansion length)
30 : !> nq (principle quantum number)
31 : !> lq (angular quantum number)
32 : !> OUTPUT: alpha (n Gaussian exponents)
33 : !> coef (n corresponding expansion coefficients)
34 : !>
35 : !> Error of expansion: Int ( |Phi - Chi|^2 )
36 : !>
37 : !> \par History
38 : !> 06.2004 created using parameters from : RF Stewart JCP 52 p431 1970
39 : !> 01.2008 added newly generated parameters for 6s - 7i
40 : !> 08.2018 added newly generated parameters for 8s - 9l
41 : !> \author jgh
42 : CONTAINS
43 :
44 : ! **************************************************************************************************
45 : !> \brief ...
46 : !> \param zeta ...
47 : !> \param n ...
48 : !> \param nq ...
49 : !> \param lq ...
50 : !> \param alpha ...
51 : !> \param coef ...
52 : ! **************************************************************************************************
53 9842 : SUBROUTINE get_sto_ng(zeta, n, nq, lq, alpha, coef)
54 :
55 : REAL(KIND=dp), INTENT(IN) :: zeta
56 : INTEGER, INTENT(IN) :: n, nq, lq
57 : REAL(KIND=dp), DIMENSION(:), INTENT(OUT) :: alpha, coef
58 :
59 : INTEGER :: m, na, nc
60 :
61 9842 : na = SIZE(alpha)
62 9842 : nc = SIZE(coef)
63 :
64 9842 : CPASSERT(n >= 1 .AND. n <= 6)
65 9842 : CPASSERT(na >= n)
66 9842 : CPASSERT(nc >= n)
67 9842 : CPASSERT(zeta > 0.0_dp)
68 9842 : CPASSERT(nq >= 1)
69 9842 : CPASSERT(lq >= 0)
70 :
71 9842 : m = (nq*(nq - 1))/2 + lq + 1
72 1128 : SELECT CASE (m)
73 : CASE (1) ! 1s
74 2270 : SELECT CASE (n)
75 : CASE (1) ! 4.3191E-2
76 0 : alpha(1) = 2.709496091e-1_dp; coef(1) = 1.000000000e+0_dp
77 : CASE (2) ! 3.1603E-3
78 0 : alpha(1) = 8.518186635e-1_dp; coef(1) = 4.301284983e-1_dp
79 0 : alpha(2) = 1.516232927e-1_dp; coef(2) = 6.789135305e-1_dp
80 : CASE (3) ! 3.3053E-4
81 180 : alpha(1) = 2.227660584e+0_dp; coef(1) = 1.543289673e-1_dp
82 180 : alpha(2) = 4.057711562e-1_dp; coef(2) = 5.353281423e-1_dp
83 180 : alpha(3) = 1.098175104e-1_dp; coef(3) = 4.446345422e-1_dp
84 : CASE (4) ! 4.3763E-5
85 464 : alpha(1) = 5.216844534e+0_dp; coef(1) = 5.675242080e-2_dp
86 464 : alpha(2) = 9.546182760e-1_dp; coef(2) = 2.601413550e-1_dp
87 464 : alpha(3) = 2.652034102e-1_dp; coef(3) = 5.328461143e-1_dp
88 464 : alpha(4) = 8.801862774e-2_dp; coef(4) = 2.916254405e-1_dp
89 : CASE (5) ! 6.8840E-6
90 0 : alpha(1) = 1.130563696e+1_dp; coef(1) = 2.214055312e-2_dp
91 0 : alpha(2) = 2.071728178e+0_dp; coef(2) = 1.135411520e-1_dp
92 0 : alpha(3) = 5.786484833e-1_dp; coef(3) = 3.318161484e-1_dp
93 0 : alpha(4) = 1.975724573e-1_dp; coef(4) = 4.825700713e-1_dp
94 0 : alpha(5) = 7.445271746e-2_dp; coef(5) = 1.935721966e-1_dp
95 : CASE (6) ! 1.2372E-6
96 484 : alpha(1) = 2.310303149e+1_dp; coef(1) = 9.163596280e-3_dp
97 484 : alpha(2) = 4.235915534e+0_dp; coef(2) = 4.936149294e-2_dp
98 484 : alpha(3) = 1.185056519e+0_dp; coef(3) = 1.685383049e-1_dp
99 484 : alpha(4) = 4.070988982e-1_dp; coef(4) = 3.705627997e-1_dp
100 484 : alpha(5) = 1.580884151e-1_dp; coef(5) = 4.164915298e-1_dp
101 484 : alpha(6) = 6.510953954e-2_dp; coef(6) = 1.303340841e-1_dp
102 : CASE DEFAULT
103 1128 : CPABORT("Illegal expansion")
104 : END SELECT
105 : CASE (2) ! 2s
106 1798 : SELECT CASE (n)
107 : CASE (1) ! 6.2923E-3
108 0 : alpha(1) = 1.012151084e-1_dp; coef(1) = 1.000000000e+0_dp
109 : CASE (2) ! 2.6728E-3
110 0 : alpha(1) = 1.292278611e-1_dp; coef(1) = 7.470867124e-1_dp
111 0 : alpha(2) = 4.908584205e-2_dp; coef(2) = 2.855980556e-1_dp
112 : CASE (3) ! 6.8661E-5
113 46 : alpha(1) = 2.581578398e+0_dp; coef(1) = -5.994474934e-2_dp
114 46 : alpha(2) = 1.567622104e-1_dp; coef(2) = 5.960385398e-1_dp
115 46 : alpha(3) = 6.018332272e-2_dp; coef(3) = 4.581786291e-1_dp
116 : CASE (4) ! 2.6974E-5
117 460 : alpha(1) = 1.161525551e+1_dp; coef(1) = -1.198411747e-2_dp
118 460 : alpha(2) = 2.000243111e+0_dp; coef(2) = -5.472052539e-2_dp
119 460 : alpha(3) = 1.607280687e-1_dp; coef(3) = 5.805587176e-1_dp
120 460 : alpha(4) = 6.125744532e-2_dp; coef(4) = 4.770079976e-1_dp
121 : CASE (5) ! 2.7009E-6
122 0 : alpha(1) = 8.984956862e+0_dp; coef(1) = -1.596349096e-2_dp
123 0 : alpha(2) = 1.673710636e+0_dp; coef(2) = -5.685884883e-2_dp
124 0 : alpha(3) = 1.944726668e-1_dp; coef(3) = 3.698265599e-1_dp
125 0 : alpha(4) = 8.806345634e-2_dp; coef(4) = 5.480512593e-1_dp
126 0 : alpha(5) = 4.249068522e-2_dp; coef(5) = 1.472634893e-1_dp
127 : CASE (6) ! 3.2726E-7
128 1764 : alpha(1) = 2.768496241e+1_dp; coef(1) = -4.151277819e-3_dp
129 1764 : alpha(2) = 5.077140627e+0_dp; coef(2) = -2.067024148e-2_dp
130 1764 : alpha(3) = 1.426786050e+0_dp; coef(3) = -5.150303337e-2_dp
131 1764 : alpha(4) = 2.040335729e-1_dp; coef(4) = 3.346271174e-1_dp
132 1764 : alpha(5) = 9.260298399e-2_dp; coef(5) = 5.621061301e-1_dp
133 1764 : alpha(6) = 4.416183978e-2_dp; coef(6) = 1.712994697e-1_dp
134 : CASE DEFAULT
135 2270 : CPABORT("Illegal expansion")
136 : END SELECT
137 : CASE (3) ! 2p
138 508 : SELECT CASE (n)
139 : CASE (1) ! 4.8232E-2
140 0 : alpha(1) = 1.759666885e-1_dp; coef(1) = 1.000000000e+0_dp
141 : CASE (2) ! 3.0947E-3
142 0 : alpha(1) = 4.323908358e-1_dp; coef(1) = 4.522627513e-1_dp
143 0 : alpha(2) = 1.069439065e-1_dp; coef(2) = 6.713122642e-1_dp
144 : CASE (3) ! 2.6858E-4
145 48 : alpha(1) = 9.192379002e-1_dp; coef(1) = 1.623948553e-1_dp
146 48 : alpha(2) = 2.359194503e-1_dp; coef(2) = 5.661708862e-1_dp
147 48 : alpha(3) = 8.009805746e-2_dp; coef(3) = 4.223071752e-1_dp
148 : CASE (4) ! 2.9037E-5
149 4 : alpha(1) = 1.798260992e+0_dp; coef(1) = 5.713170255e-2_dp
150 4 : alpha(2) = 4.662622228e-1_dp; coef(2) = 2.857455515e-1_dp
151 4 : alpha(3) = 1.643718620e-1_dp; coef(3) = 5.517873105e-1_dp
152 4 : alpha(4) = 6.543927065e-2_dp; coef(4) = 2.632314924e-1_dp
153 : CASE (5) ! 3.7171E-6
154 0 : alpha(1) = 3.320386533e+0_dp; coef(1) = 2.079051117e-2_dp
155 0 : alpha(2) = 8.643257633e-1_dp; coef(2) = 1.235472099e-1_dp
156 0 : alpha(3) = 3.079819284e-1_dp; coef(3) = 3.667738886e-1_dp
157 0 : alpha(4) = 1.273309895e-1_dp; coef(4) = 4.834930290e-1_dp
158 0 : alpha(5) = 5.606243164e-2_dp; coef(5) = 1.653444074e-1_dp
159 : CASE (6) ! 5.4444E-7
160 1746 : alpha(1) = 5.868285913e+0_dp; coef(1) = 7.924233646e-3_dp
161 1746 : alpha(2) = 1.530329631e+0_dp; coef(2) = 5.144104825e-2_dp
162 1746 : alpha(3) = 5.475665231e-1_dp; coef(3) = 1.898400060e-1_dp
163 1746 : alpha(4) = 2.288932733e-1_dp; coef(4) = 4.049863191e-1_dp
164 1746 : alpha(5) = 1.046655969e-1_dp; coef(5) = 4.012362861e-1_dp
165 1746 : alpha(6) = 4.948220127e-2_dp; coef(6) = 1.051855189e-1_dp
166 : CASE DEFAULT
167 1798 : CPABORT("Illegal expansion")
168 : END SELECT
169 : CASE (4) ! 3s
170 508 : SELECT CASE (n)
171 : CASE (1) ! 1.6764E-2
172 0 : alpha(1) = 5.296881757e-2_dp; coef(1) = 1.000000000e+0_dp
173 : CASE (2) ! 7.6424E-4
174 0 : alpha(1) = 6.694095822e-1_dp; coef(1) = -1.529645716e-1_dp
175 0 : alpha(2) = 5.837135094e-2_dp; coef(2) = 1.051370110e+0_dp
176 : CASE (3) ! 8.0718E-5
177 2 : alpha(1) = 5.641487709e-1_dp; coef(1) = -1.782577972e-1_dp
178 2 : alpha(2) = 6.924421391e-2_dp; coef(2) = 8.612761663e-1_dp
179 2 : alpha(3) = 3.269529097e-2_dp; coef(3) = 2.261841969e-1_dp
180 : CASE (4) ! 1.7254E-6
181 0 : alpha(1) = 1.513265591e+0_dp; coef(1) = -3.295496352e-2_dp
182 0 : alpha(2) = 4.262497508e-1_dp; coef(2) = -1.724516959e-1_dp
183 0 : alpha(3) = 7.643320863e-2_dp; coef(3) = 7.518511194e-1_dp
184 0 : alpha(4) = 3.760545063e-2_dp; coef(4) = 3.589627310e-1_dp
185 : CASE (5) ! 7.9816E-7
186 0 : alpha(1) = 4.275877914e+0_dp; coef(1) = -3.920358850e-3_dp
187 0 : alpha(2) = 1.132409433e+0_dp; coef(2) = -4.168430506e-2_dp
188 0 : alpha(3) = 4.016256968e-1_dp; coef(3) = -1.637440990e-1_dp
189 0 : alpha(4) = 7.732370620e-2_dp; coef(4) = 7.419373723e-1_dp
190 0 : alpha(5) = 3.800708627e-2_dp; coef(5) = 3.724364929e-1_dp
191 : CASE (6) ! 4.0662E-8
192 506 : alpha(1) = 3.273031938e+0_dp; coef(1) = -6.775596947e-3_dp
193 506 : alpha(2) = 9.200611311e-1_dp; coef(2) = -5.639325779e-2_dp
194 506 : alpha(3) = 3.593349765e-1_dp; coef(3) = -1.587856086e-1_dp
195 506 : alpha(4) = 8.636686991e-2_dp; coef(4) = 5.534527651e-1_dp
196 506 : alpha(5) = 4.797373812e-2_dp; coef(5) = 5.015351020e-1_dp
197 506 : alpha(6) = 2.724741144e-2_dp; coef(6) = 7.223633674e-2_dp
198 : CASE DEFAULT
199 508 : CPABORT("Illegal expansion")
200 : END SELECT
201 : CASE (5) ! 3p
202 842 : SELECT CASE (n)
203 : CASE (1) ! 1.2745E-2
204 0 : alpha(1) = 9.113614253e-2_dp; coef(1) = 1.000000000e+0_dp
205 : CASE (2) ! 2.3771E-4
206 0 : alpha(1) = 1.458620964e-1_dp; coef(1) = 5.349653144e-1_dp
207 0 : alpha(2) = 5.664210742e-2_dp; coef(2) = 5.299607212e-1_dp
208 : CASE (3) ! 1.3487E-4
209 2 : alpha(1) = 2.692880368e+0_dp; coef(1) = -1.061945788e-2_dp
210 2 : alpha(2) = 1.489359592e-1_dp; coef(2) = 5.218564264e-1_dp
211 2 : alpha(3) = 5.739585040e-2_dp; coef(3) = 5.450015143e-1_dp
212 : CASE (4) ! 2.9785E-6
213 0 : alpha(1) = 1.853180239e+0_dp; coef(1) = -1.434249391e-2_dp
214 0 : alpha(2) = 1.915075719e-1_dp; coef(2) = 2.755177589e-1_dp
215 0 : alpha(3) = 8.655487938e-2_dp; coef(3) = 5.846750879e-1_dp
216 0 : alpha(4) = 4.184253862e-2_dp; coef(4) = 2.144986514e-1_dp
217 : CASE (5) ! 1.3387E-6
218 0 : alpha(1) = 6.466803859e+0_dp; coef(1) = -2.329023747e-3_dp
219 0 : alpha(2) = 1.555914802e+0_dp; coef(2) = -1.357395221e-2_dp
220 0 : alpha(3) = 1.955925255e-1_dp; coef(3) = 2.632185383e-1_dp
221 0 : alpha(4) = 8.809647701e-2_dp; coef(4) = 5.880427024e-1_dp
222 0 : alpha(5) = 4.234835707e-2_dp; coef(5) = 2.242794445e-1_dp
223 : CASE (6) ! 7.9285E-8
224 506 : alpha(1) = 5.077973607e+0_dp; coef(1) = -3.329929840e-3_dp
225 506 : alpha(2) = 1.340786940e+0_dp; coef(2) = -1.419488340e-2_dp
226 506 : alpha(3) = 2.248434849e-1_dp; coef(3) = 1.639395770e-1_dp
227 506 : alpha(4) = 1.131741848e-1_dp; coef(4) = 4.485358256e-1_dp
228 506 : alpha(5) = 6.076408893e-2_dp; coef(5) = 3.908813050e-1_dp
229 506 : alpha(6) = 3.315424265e-2_dp; coef(6) = 7.411456232e-2_dp
230 : CASE DEFAULT
231 508 : CPABORT("Illegal expansion")
232 : END SELECT
233 : CASE (6) ! 3d
234 604 : SELECT CASE (n)
235 : CASE (1) ! 5.0728E-2
236 0 : alpha(1) = 1.302270363e-1_dp; coef(1) = 1.000000000e+0_dp
237 : CASE (2) ! 2.9834E-3
238 0 : alpha(1) = 2.777427345e-1_dp; coef(1) = 4.666137923e-1_dp
239 0 : alpha(2) = 8.336507714e-2_dp; coef(2) = 6.644706516e-1_dp
240 : CASE (3) ! 2.2687E-4
241 0 : alpha(1) = 5.229112225e-1_dp; coef(1) = 1.696596060e-1_dp
242 0 : alpha(2) = 1.639595876e-1_dp; coef(2) = 5.847984817e-1_dp
243 0 : alpha(3) = 6.386630021e-2_dp; coef(3) = 4.056779523e-1_dp
244 : CASE (4) ! 2.1116E-5
245 0 : alpha(1) = 9.185846715e-1_dp; coef(1) = 5.799057705e-2_dp
246 0 : alpha(2) = 2.920461109e-1_dp; coef(2) = 3.045581349e-1_dp
247 0 : alpha(3) = 1.187568890e-1_dp; coef(3) = 5.601358038e-1_dp
248 0 : alpha(4) = 5.286755896e-2_dp; coef(4) = 2.432423313e-1_dp
249 : CASE (5) ! 2.3115E-6
250 0 : alpha(1) = 1.539033958e+0_dp; coef(1) = 2.020869128e-2_dp
251 0 : alpha(2) = 4.922090297e-1_dp; coef(2) = 1.321157923e-1_dp
252 0 : alpha(3) = 2.029756928e-1_dp; coef(3) = 3.911240346e-1_dp
253 0 : alpha(4) = 9.424112917e-2_dp; coef(4) = 4.779609701e-1_dp
254 0 : alpha(5) = 4.569058269e-2_dp; coef(5) = 1.463662294e-1_dp
255 : CASE (6) ! 2.8899E-7
256 842 : alpha(1) = 2.488296923e+0_dp; coef(1) = 7.283828112e-3_dp
257 842 : alpha(2) = 7.981487853e-1_dp; coef(2) = 5.386799363e-2_dp
258 842 : alpha(3) = 3.311327490e-1_dp; coef(3) = 2.072139149e-1_dp
259 842 : alpha(4) = 1.559114463e-1_dp; coef(4) = 4.266269092e-1_dp
260 842 : alpha(5) = 7.877734732e-2_dp; coef(5) = 3.843100204e-1_dp
261 842 : alpha(6) = 4.058484363e-2_dp; coef(6) = 8.902827546e-2_dp
262 : CASE DEFAULT
263 842 : CPABORT("Illegal expansion")
264 : END SELECT
265 : CASE (7) ! 4s
266 604 : SELECT CASE (n)
267 : CASE (1) ! 4.1760E-2
268 0 : alpha(1) = 3.264600274e-2_dp; coef(1) = 1.000000000e+0_dp
269 : CASE (2) ! 1.7480E-4
270 0 : alpha(1) = 2.441785453e-1_dp; coef(1) = -3.046656896e-1_dp
271 0 : alpha(2) = 4.051097664e-2_dp; coef(2) = 1.146877294e+0_dp
272 : CASE (3) ! 1.6867E-5
273 0 : alpha(1) = 2.267938753e-1_dp; coef(1) = -3.349048323e-1_dp
274 0 : alpha(2) = 4.448178019e-2_dp; coef(2) = 1.056744667e+0_dp
275 0 : alpha(3) = 2.195294664e-2_dp; coef(3) = 1.256661680e-1_dp
276 : CASE (4) ! 8.4105E-7
277 0 : alpha(1) = 3.242212833e-1_dp; coef(1) = -1.120682822e-1_dp
278 0 : alpha(2) = 1.663217177e-1_dp; coef(2) = -2.845426863e-1_dp
279 0 : alpha(3) = 5.081097451e-2_dp; coef(3) = 8.909873788e-1_dp
280 0 : alpha(4) = 2.829066600e-2_dp; coef(4) = 3.517811205e-1_dp
281 : CASE (5) ! 6.0273E-8
282 0 : alpha(1) = 2.980263783e+0_dp; coef(1) = 1.513948997e-3_dp
283 0 : alpha(2) = 3.792228833e-1_dp; coef(2) = -7.316801548e-2_dp
284 0 : alpha(3) = 1.789717224e-1_dp; coef(3) = -3.143703799e-1_dp
285 0 : alpha(4) = 5.002110360e-2_dp; coef(4) = 9.032615169e-1_dp
286 0 : alpha(5) = 2.789361681e-2_dp; coef(5) = 3.294210848e-1_dp
287 : CASE (6) ! 5.9700E-9
288 604 : alpha(1) = 3.232838646e+0_dp; coef(1) = 1.374817488e-3_dp
289 604 : alpha(2) = 3.605788802e-1_dp; coef(2) = -8.666390043e-2_dp
290 604 : alpha(3) = 1.717905487e-1_dp; coef(3) = -3.130627309e-1_dp
291 604 : alpha(4) = 5.277666487e-2_dp; coef(4) = 7.812787397e-1_dp
292 604 : alpha(5) = 3.163400284e-2_dp; coef(5) = 4.389247988e-1_dp
293 604 : alpha(6) = 1.874093091e-2_dp; coef(6) = 2.487178756e-2_dp
294 : CASE DEFAULT
295 604 : CPABORT("Illegal expansion")
296 : END SELECT
297 : CASE (8) ! 4p
298 276 : SELECT CASE (n)
299 : CASE (1) ! 3.9516E-3
300 0 : alpha(1) = 5.578350235e-2_dp; coef(1) = 1.000000000e+0_dp
301 : CASE (2) ! 2.1579E-3
302 0 : alpha(1) = 6.190052680e-2_dp; coef(1) = 8.743116767e-1_dp
303 0 : alpha(2) = 2.648418407e-2_dp; coef(2) = 1.513640107e-1_dp
304 : CASE (3) ! 1.2621E-5
305 0 : alpha(1) = 4.859692220e-1_dp; coef(1) = -6.147823411e-2_dp
306 0 : alpha(2) = 7.430216918e-2_dp; coef(2) = 6.604172234e-1_dp
307 0 : alpha(3) = 3.653340923e-2_dp; coef(3) = 3.932639495e-1_dp
308 : CASE (4) ! 5.4740E-6
309 0 : alpha(1) = 1.492607880e+0_dp; coef(1) = -6.035216774e-3_dp
310 0 : alpha(2) = 4.327619272e-1_dp; coef(2) = -6.013310874e-2_dp
311 0 : alpha(3) = 7.553156064e-2_dp; coef(3) = 6.451518200e-1_dp
312 0 : alpha(4) = 3.706272183e-2_dp; coef(4) = 4.117923820e-1_dp
313 : CASE (5) ! 1.3595E-7
314 0 : alpha(1) = 1.091977298e+0_dp; coef(1) = -1.143929558e-2_dp
315 0 : alpha(2) = 3.719985051e-1_dp; coef(2) = -6.322651538e-2_dp
316 0 : alpha(3) = 8.590019352e-2_dp; coef(3) = 4.398907721e-1_dp
317 0 : alpha(4) = 4.786503860e-2_dp; coef(4) = 5.245859166e-1_dp
318 0 : alpha(5) = 2.730479990e-2_dp; coef(5) = 1.017072253e-1_dp
319 : CASE (6) ! 1.3897E-8
320 604 : alpha(1) = 2.389722618e+0_dp; coef(1) = -1.665913575e-3_dp
321 604 : alpha(2) = 7.960947826e-1_dp; coef(2) = -1.657464971e-2_dp
322 604 : alpha(3) = 3.415541380e-1_dp; coef(3) = -5.958513378e-2_dp
323 604 : alpha(4) = 8.847434525e-2_dp; coef(4) = 4.053115554e-1_dp
324 604 : alpha(5) = 4.958248334e-2_dp; coef(5) = 5.433958189e-1_dp
325 604 : alpha(6) = 2.816929784e-2_dp; coef(6) = 1.204970491e-1_dp
326 : CASE DEFAULT
327 604 : CPABORT("Illegal expansion")
328 : END SELECT
329 : CASE (9) ! 4d
330 0 : SELECT CASE (n)
331 : CASE (1) ! 2.0360E-2
332 0 : alpha(1) = 7.941656339e-2_dp; coef(1) = 1.000000000e+0_dp
333 : CASE (2) ! 3.7488E-4
334 0 : alpha(1) = 1.330958892e-1_dp; coef(1) = 4.932764167e-1_dp
335 0 : alpha(2) = 5.272119659e-2_dp; coef(2) = 5.918727866e-1_dp
336 : CASE (3) ! 1.2729E-5
337 0 : alpha(1) = 1.777717219e-1_dp; coef(1) = 2.308552718e-1_dp
338 0 : alpha(2) = 8.040647350e-2_dp; coef(2) = 6.042409177e-1_dp
339 0 : alpha(3) = 3.949855551e-2_dp; coef(3) = 2.595768926e-1_dp
340 : CASE (4) ! 5.7655E-6
341 0 : alpha(1) = 1.995825422e+0_dp; coef(1) = -2.816702620e-3_dp
342 0 : alpha(2) = 1.823461280e-1_dp; coef(2) = 2.177095871e-1_dp
343 0 : alpha(3) = 8.197240896e-2_dp; coef(3) = 6.058047348e-1_dp
344 0 : alpha(4) = 4.000634951e-2_dp; coef(4) = 2.717811257e-1_dp
345 : CASE (5) ! 1.5122E-7
346 0 : alpha(1) = 1.522122079e+0_dp; coef(1) = -3.673711876e-3_dp
347 0 : alpha(2) = 2.173041823e-1_dp; coef(2) = 1.167122499e-1_dp
348 0 : alpha(3) = 1.084876577e-1_dp; coef(3) = 4.216476416e-1_dp
349 0 : alpha(4) = 5.836797641e-2_dp; coef(4) = 4.547673415e-1_dp
350 0 : alpha(5) = 3.206682246e-2_dp; coef(5) = 1.037803318e-1_dp
351 : CASE (6) ! 8.0888E-8
352 276 : alpha(1) = 4.634239420e+0_dp; coef(1) = -4.749842876e-4_dp
353 276 : alpha(2) = 1.341648295e+0_dp; coef(2) = -3.566777891e-3_dp
354 276 : alpha(3) = 2.209593028e-1_dp; coef(3) = 1.108670481e-1_dp
355 276 : alpha(4) = 1.101467943e-1_dp; coef(4) = 4.159646930e-1_dp
356 276 : alpha(5) = 5.904190370e-2_dp; coef(5) = 4.621672517e-1_dp
357 276 : alpha(6) = 3.232628887e-2_dp; coef(6) = 1.081250196e-1_dp
358 : CASE DEFAULT
359 276 : CPABORT("Illegal expansion")
360 : END SELECT
361 : CASE (10) ! 4f
362 316 : SELECT CASE (n)
363 : CASE (1) ! 5.2215E-2
364 0 : alpha(1) = 1.033434062e-1_dp; coef(1) = 1.000000000e+0_dp
365 : CASE (2) ! 2.8877E-3
366 0 : alpha(1) = 2.006693538e-1_dp; coef(1) = 4.769346276e-1_dp
367 0 : alpha(2) = 6.865384900e-2_dp; coef(2) = 6.587383976e-1_dp
368 : CASE (3) ! 1.9904E-4
369 0 : alpha(1) = 3.483826963e-1_dp; coef(1) = 1.737856685e-1_dp
370 0 : alpha(2) = 1.249380537e-1_dp; coef(2) = 5.973380628e-1_dp
371 0 : alpha(3) = 5.349995725e-2_dp; coef(3) = 3.929395614e-1_dp
372 : CASE (4) ! 1.6508E-5
373 0 : alpha(1) = 5.691670217e-1_dp; coef(1) = 5.902730589e-2_dp
374 0 : alpha(2) = 2.074585819e-1_dp; coef(2) = 3.191828952e-1_dp
375 0 : alpha(3) = 9.298346885e-2_dp; coef(3) = 5.639423893e-1_dp
376 0 : alpha(4) = 4.473508853e-2_dp; coef(4) = 2.284796537e-1_dp
377 : CASE (5) ! 1.5974E-6
378 0 : alpha(1) = 8.925960415e-1_dp; coef(1) = 1.999839052e-2_dp
379 0 : alpha(2) = 3.277589120e-1_dp; coef(2) = 1.395427440e-1_dp
380 0 : alpha(3) = 1.492869962e-1_dp; coef(3) = 4.091508237e-1_dp
381 0 : alpha(4) = 7.506099109e-2_dp; coef(4) = 4.708252119e-1_dp
382 0 : alpha(5) = 3.892475795e-2_dp; coef(5) = 1.328082566e-1_dp
383 : CASE (6) ! 1.7590E-7
384 0 : alpha(1) = 1.357718039e+0_dp; coef(1) = 6.930234381e-3_dp
385 0 : alpha(2) = 5.004907278e-1_dp; coef(2) = 5.634263745e-2_dp
386 0 : alpha(3) = 2.296565064e-1_dp; coef(3) = 2.217065797e-1_dp
387 0 : alpha(4) = 1.173146814e-1_dp; coef(4) = 4.411388883e-1_dp
388 0 : alpha(5) = 6.350097171e-2_dp; coef(5) = 3.688112625e-1_dp
389 0 : alpha(6) = 3.474556673e-2_dp; coef(6) = 7.787514504e-2_dp
390 : CASE DEFAULT
391 0 : CPABORT("Illegal expansion")
392 : END SELECT
393 : CASE (11) ! 5s
394 316 : SELECT CASE (n)
395 : CASE (1) ! 7.1317E-2
396 0 : alpha(1) = 2.216912938e-2_dp; coef(1) = 1.000000000e+0_dp
397 : CASE (2) ! 1.4289E-4
398 0 : alpha(1) = 1.213425654e-1_dp; coef(1) = -5.114756049e-1_dp
399 0 : alpha(2) = 3.133152144e-2_dp; coef(2) = 1.307377277e+0_dp
400 : CASE (3) ! 4.1124E-5
401 0 : alpha(1) = 1.080198458e-1_dp; coef(1) = -6.617401158e-1_dp
402 0 : alpha(2) = 4.408119328e-2_dp; coef(2) = 7.467595004e-1_dp
403 0 : alpha(3) = 2.610811810e-2_dp; coef(3) = 7.146490945e-1_dp
404 : CASE (4) ! 5.4159E-7
405 0 : alpha(1) = 8.602284252e-1_dp; coef(1) = 1.103657561e-2_dp
406 0 : alpha(2) = 1.189050200e-1_dp; coef(2) = -5.606519023e-1_dp
407 0 : alpha(3) = 3.446076176e-2_dp; coef(3) = 1.179429987e+0_dp
408 0 : alpha(4) = 1.974798796e-2_dp; coef(4) = 1.734974376e-1_dp
409 : CASE (5) ! 7.0816E-8
410 0 : alpha(1) = 7.403763257e-1_dp; coef(1) = 1.375523371e-2_dp
411 0 : alpha(2) = 1.367990863e-1_dp; coef(2) = -3.097344179e-1_dp
412 0 : alpha(3) = 9.135301779e-2_dp; coef(3) = -3.199192259e-1_dp
413 0 : alpha(4) = 3.726907315e-2_dp; coef(4) = 1.084547038e+0_dp
414 0 : alpha(5) = 2.241490836e-2_dp; coef(5) = 3.345288361e-1_dp
415 : CASE (6) ! 7.9988E-9
416 316 : alpha(1) = 1.410128298e+0_dp; coef(1) = 2.695439582e-3_dp
417 316 : alpha(2) = 5.077878915e-1_dp; coef(2) = 1.850157487e-2_dp
418 316 : alpha(3) = 1.847926858e-1_dp; coef(3) = -9.588628125e-2_dp
419 316 : alpha(4) = 1.061070594e-1_dp; coef(4) = -5.200673560e-1_dp
420 316 : alpha(5) = 3.669584901e-2_dp; coef(5) = 1.087619490e+0_dp
421 316 : alpha(6) = 2.213558430e-2_dp; coef(6) = 3.103964343e-1_dp
422 : CASE DEFAULT
423 316 : CPABORT("Illegal expansion")
424 : END SELECT
425 : CASE (12) ! 5p
426 224 : SELECT CASE (n)
427 : CASE (1) ! 8.0406E-3
428 0 : alpha(1) = 3.769845216e-2_dp; coef(1) = 1.000000000e+0_dp
429 : CASE (2) ! 6.8912E-4
430 0 : alpha(1) = 2.691294191e-1_dp; coef(1) = -1.034227010e-1_dp
431 0 : alpha(2) = 3.980805011e-2_dp; coef(2) = 1.033376378e+0_dp
432 : CASE (3) ! 6.5766E-6
433 0 : alpha(1) = 2.127482317e-1_dp; coef(1) = -1.389529695e-1_dp
434 0 : alpha(2) = 4.729648620e-2_dp; coef(2) = 8.076691064e-1_dp
435 0 : alpha(3) = 2.604865324e-2_dp; coef(3) = 2.726029342e-1_dp
436 : CASE (4) ! 4.4493E-7
437 0 : alpha(1) = 3.962838833e-1_dp; coef(1) = -1.801459207e-2_dp
438 0 : alpha(2) = 1.838858552e-1_dp; coef(2) = -1.360777372e-1_dp
439 0 : alpha(3) = 4.943555157e-2_dp; coef(3) = 7.533973719e-1_dp
440 0 : alpha(4) = 2.750222273e-2_dp; coef(4) = 3.409304859e-1_dp
441 : CASE (5) ! 1.3483E-8
442 0 : alpha(1) = 3.422168934e-1_dp; coef(1) = -3.113958289e-2_dp
443 0 : alpha(2) = 1.665099900e-1_dp; coef(2) = -1.374007017e-1_dp
444 0 : alpha(3) = 5.443732013e-2_dp; coef(3) = 5.573881018e-1_dp
445 0 : alpha(4) = 3.367775277e-2_dp; coef(4) = 4.855428100e-1_dp
446 0 : alpha(5) = 2.091949042e-2_dp; coef(5) = 6.605423564e-2_dp
447 : CASE (6) ! 3.9301E-9
448 316 : alpha(1) = 3.778623374e+0_dp; coef(1) = 1.163246387e-4_dp
449 316 : alpha(2) = 3.499121109e-1_dp; coef(2) = -2.920771322e-2_dp
450 316 : alpha(3) = 1.683175469e-1_dp; coef(3) = -1.381051233e-1_dp
451 316 : alpha(4) = 5.404070736e-2_dp; coef(4) = 5.706134877e-1_dp
452 316 : alpha(5) = 3.328911801e-2_dp; coef(5) = 4.768808140e-1_dp
453 316 : alpha(6) = 2.063815019e-2_dp; coef(6) = 6.021665516e-2_dp
454 : CASE DEFAULT
455 316 : CPABORT("Illegal expansion")
456 : END SELECT
457 : CASE (13) ! 5d
458 0 : SELECT CASE (n)
459 : CASE (1) ! 6.7308E-3
460 0 : alpha(1) = 5.352200793e-2_dp; coef(1) = 1.000000000e+0_dp
461 : CASE (2) ! 3.1257E-4
462 0 : alpha(1) = 6.906014388e-2_dp; coef(1) = 6.539405185e-1_dp
463 0 : alpha(2) = 3.399457777e-2_dp; coef(2) = 3.948945302e-1_dp
464 : CASE (3) ! 2.4664E-5
465 0 : alpha(1) = 4.913352950e-1_dp; coef(1) = -2.010175008e-2_dp
466 0 : alpha(2) = 7.329090601e-2_dp; coef(2) = 5.899370608e-1_dp
467 0 : alpha(3) = 3.594209290e-2_dp; coef(3) = 4.658445960e-1_dp
468 : CASE (4) ! 1.2737E-6
469 0 : alpha(1) = 4.230617826e-1_dp; coef(1) = -2.421626009e-2_dp
470 0 : alpha(2) = 8.293863702e-2_dp; coef(2) = 3.937644956e-1_dp
471 0 : alpha(3) = 4.590326388e-2_dp; coef(3) = 5.489520286e-1_dp
472 0 : alpha(4) = 2.628744797e-2_dp; coef(4) = 1.190436963e-1_dp
473 : CASE (5) ! 8.6929E-8
474 0 : alpha(1) = 9.702946470e-1_dp; coef(1) = -3.231527611e-3_dp
475 0 : alpha(2) = 3.603270196e-1_dp; coef(2) = -2.434931372e-2_dp
476 0 : alpha(3) = 8.668717752e-2_dp; coef(3) = 3.440817054e-1_dp
477 0 : alpha(4) = 4.833708379e-2_dp; coef(4) = 5.693674376e-1_dp
478 0 : alpha(5) = 2.751899341e-2_dp; coef(5) = 1.511340183e-1_dp
479 : CASE (6) ! 1.4086E-8
480 224 : alpha(1) = 8.820520428e-1_dp; coef(1) = -4.097377019e-3_dp
481 224 : alpha(2) = 3.410838409e-1_dp; coef(2) = -2.508271857e-2_dp
482 224 : alpha(3) = 9.204308840e-2_dp; coef(3) = 2.648458555e-1_dp
483 224 : alpha(4) = 5.472831774e-2_dp; coef(4) = 5.097437054e-1_dp
484 224 : alpha(5) = 3.391202830e-2_dp; coef(5) = 2.654483467e-1_dp
485 224 : alpha(6) = 2.108227374e-2_dp; coef(6) = 2.623132212e-2_dp
486 : CASE DEFAULT
487 224 : CPABORT("Illegal expansion")
488 : END SELECT
489 : CASE (14) ! 5f
490 0 : SELECT CASE (n)
491 : CASE (1) ! 2.6196E-2
492 0 : alpha(1) = 6.952785407e-2_dp; coef(1) = 1.000000000e+0_dp
493 : CASE (2) ! 6.5045E-4
494 0 : alpha(1) = 1.156094555e-1_dp; coef(1) = 4.856637346e-1_dp
495 0 : alpha(2) = 4.778940916e-2_dp; coef(2) = 6.125980914e-1_dp
496 : CASE (3) ! 1.5513E-5
497 0 : alpha(1) = 1.649233885e-1_dp; coef(1) = 1.909729355e-1_dp
498 0 : alpha(2) = 7.487066646e-2_dp; coef(2) = 6.146060459e-1_dp
499 0 : alpha(3) = 3.735787219e-2_dp; coef(3) = 3.059611271e-1_dp
500 : CASE (4) ! 7.5442E-7
501 0 : alpha(1) = 2.017831152e-1_dp; coef(1) = 9.174268830e-2_dp
502 0 : alpha(2) = 1.001952178e-1_dp; coef(2) = 4.023496947e-1_dp
503 0 : alpha(3) = 5.447006630e-2_dp; coef(3) = 4.937432100e-1_dp
504 0 : alpha(4) = 3.037569283e-2_dp; coef(4) = 1.254001522e-1_dp
505 : CASE (5) ! 3.0371E-7
506 0 : alpha(1) = 1.670735676e+0_dp; coef(1) = -7.301193568e-4_dp
507 0 : alpha(2) = 2.072477219e-1_dp; coef(2) = 8.414991343e-2_dp
508 0 : alpha(3) = 1.024709357e-1_dp; coef(3) = 3.923683153e-1_dp
509 0 : alpha(4) = 5.537913898e-2_dp; coef(4) = 5.040033146e-1_dp
510 0 : alpha(5) = 3.072866652e-2_dp; coef(5) = 1.328979300e-1_dp
511 : CASE (6) ! 8.4380E-9
512 0 : alpha(1) = 1.334096840e+0_dp; coef(1) = -9.486751531e-4_dp
513 0 : alpha(2) = 2.372312347e-1_dp; coef(2) = 4.624275998e-2_dp
514 0 : alpha(3) = 1.269485744e-1_dp; coef(3) = 2.373699784e-1_dp
515 0 : alpha(4) = 7.290318381e-2_dp; coef(4) = 4.589112231e-1_dp
516 0 : alpha(5) = 4.351355997e-2_dp; coef(5) = 3.205010548e-1_dp
517 0 : alpha(6) = 2.598071843e-2_dp; coef(6) = 5.077063693e-2_dp
518 : CASE DEFAULT
519 0 : CPABORT("Illegal expansion")
520 : END SELECT
521 : CASE (15) ! 5g
522 224 : SELECT CASE (n)
523 : CASE (1) ! 5.3199E-2
524 0 : alpha(1) = 8.565417784e-2_dp; coef(1) = 1.000000000e+0_dp
525 : CASE (2) ! 2.8109E-3
526 0 : alpha(1) = 1.554531559e-1_dp; coef(1) = 4.848298074e-1_dp
527 0 : alpha(2) = 5.854079811e-2_dp; coef(2) = 6.539381621e-1_dp
528 : CASE (3) ! 1.7959E-4
529 0 : alpha(1) = 2.545432122e-1_dp; coef(1) = 1.780980905e-1_dp
530 0 : alpha(2) = 1.006544376e-1_dp; coef(2) = 6.063757846e-1_dp
531 0 : alpha(3) = 4.624463922e-2_dp; coef(3) = 3.828552923e-1_dp
532 : CASE (4) ! 1.3592E-5
533 0 : alpha(1) = 3.945205573e-1_dp; coef(1) = 6.010484250e-2_dp
534 0 : alpha(2) = 1.588100623e-1_dp; coef(2) = 3.309738329e-1_dp
535 0 : alpha(3) = 7.646521729e-2_dp; coef(3) = 5.655207585e-1_dp
536 0 : alpha(4) = 3.898703611e-2_dp; coef(4) = 2.171122608e-1_dp
537 : CASE (5) ! 1.1901E-6
538 0 : alpha(1) = 5.895429375e-1_dp; coef(1) = 1.998085812e-2_dp
539 0 : alpha(2) = 2.393343780e-1_dp; coef(2) = 1.460384050e-1_dp
540 0 : alpha(3) = 1.172646904e-1_dp; coef(3) = 4.230565459e-1_dp
541 0 : alpha(4) = 6.254074479e-2_dp; coef(4) = 4.635699665e-1_dp
542 0 : alpha(5) = 3.411243214e-2_dp; coef(5) = 1.226411691e-1_dp
543 : CASE (6) ! 1.1806E-7
544 0 : alpha(1) = 8.574668996e-1_dp; coef(1) = 6.729778096e-3_dp
545 0 : alpha(2) = 3.497184772e-1_dp; coef(2) = 5.874145170e-2_dp
546 0 : alpha(3) = 1.727917060e-1_dp; coef(3) = 2.339955227e-1_dp
547 0 : alpha(4) = 9.373643151e-2_dp; coef(4) = 4.512983737e-1_dp
548 0 : alpha(5) = 5.340032759e-2_dp; coef(5) = 3.552053926e-1_dp
549 0 : alpha(6) = 3.057364464e-2_dp; coef(6) = 6.974153145e-2_dp
550 : CASE DEFAULT
551 0 : CPABORT("Illegal expansion")
552 : END SELECT
553 : CASE (16) ! 6s
554 224 : SELECT CASE (n)
555 : CASE (1) ! 0.10174284692137370
556 0 : alpha(1) = 0.016053956888690133_dp; coef(1) = 1.000000000000000_dp
557 : CASE (2) ! 4.7289518343962555E-004
558 0 : alpha(1) = 0.026188993287017705_dp; coef(1) = 1.6061745480037777_dp
559 0 : alpha(2) = 0.06916086082602657_dp; coef(2) = -0.8493191121412285_dp
560 : CASE (3) ! 2.2051964796210299E-005
561 0 : alpha(1) = 0.025012605890022674_dp; coef(1) = 1.4570914918085252_dp
562 0 : alpha(2) = 0.08530028544682955_dp; coef(2) = -0.7792202598134607_dp
563 0 : alpha(3) = 0.23664111527549864_dp; coef(3) = 0.08944830584494995_dp
564 : CASE (4) ! 7.8703519701406321E-008
565 0 : alpha(1) = 0.018111879224996335_dp; coef(1) = 0.2742426110211285_dp
566 0 : alpha(2) = 0.028489853269487397_dp; coef(2) = 1.3154513257751648_dp
567 0 : alpha(3) = 0.07575858742450885_dp; coef(3) = -0.8700267823821266_dp
568 0 : alpha(4) = 0.3135211502054625_dp; coef(4) = 0.04933652686369165_dp
569 : CASE (5) ! 1.4679699233965948E-008
570 0 : alpha(1) = 0.017704122931955696_dp; coef(1) = 0.23979549908360312_dp
571 0 : alpha(2) = 0.02816438780280081_dp; coef(2) = 1.339995854967376_dp
572 0 : alpha(3) = 0.07635157423691516_dp; coef(3) = -0.8631396815113626_dp
573 0 : alpha(4) = 0.29378907244008734_dp; coef(4) = 0.05070584407672884_dp
574 0 : alpha(5) = 0.7609367674925651_dp; coef(5) = 0.0017452546896168622_dp
575 : CASE (6) ! 1.1007299516307967E-009
576 224 : alpha(1) = 0.018375086251195376_dp; coef(1) = 0.3019609612694464_dp
577 224 : alpha(2) = 0.02883213591739931_dp; coef(2) = 1.3047682665168656_dp
578 224 : alpha(3) = 0.0735171952084867_dp; coef(3) = -0.8423706115013339_dp
579 224 : alpha(4) = 0.13718508837897095_dp; coef(4) = -0.08693662797569257_dp
580 224 : alpha(5) = 0.21928060661775448_dp; coef(5) = 0.08040482815742164_dp
581 224 : alpha(6) = 0.47255402578342814_dp; coef(6) = 0.011258177324556012_dp
582 : CASE DEFAULT
583 224 : CPABORT("Illegal expansion")
584 : END SELECT
585 : CASE (17) ! 6p
586 0 : SELECT CASE (n)
587 : CASE (1) ! 1.8826022835702449E-002
588 0 : alpha(1) = 0.02720326117498455_dp; coef(1) = 1.0000000000000000_dp
589 : CASE (2) ! 2.3458059254877206E-004
590 0 : alpha(1) = 0.03068554921378584_dp; coef(1) = 1.0932524470142648_dp
591 0 : alpha(2) = 0.13327144868476606_dp; coef(2) = -0.20022333756955418_dp
592 : CASE (3) ! 2.0181514870376560E-006
593 0 : alpha(1) = 0.021306449714000038_dp; coef(1) = 0.2589896573574047_dp
594 0 : alpha(2) = 0.03558737683798757_dp; coef(2) = 0.8948520093263641_dp
595 0 : alpha(3) = 0.1159879775604416_dp; coef(3) = -0.2541710812641519_dp
596 : CASE (4) ! 5.8503101629803211E-007
597 0 : alpha(1) = 0.02094853126286551_dp; coef(1) = 0.23874968368587424_dp
598 0 : alpha(2) = 0.03524009985593678_dp; coef(2) = 0.9113069782415131_dp
599 0 : alpha(3) = 0.1172381116493136_dp; coef(3) = -0.25095169849099785_dp
600 0 : alpha(4) = 1.074757975437711_dp; coef(4) = 0.0014270633206840072_dp
601 : CASE (5) ! 5.5095088491441402E-008
602 0 : alpha(1) = 0.02191796448535917_dp; coef(1) = 0.29958347534070895_dp
603 0 : alpha(2) = 0.036406617593622265_dp; coef(2) = 0.8669095451744081_dp
604 0 : alpha(3) = 0.10823682952141411_dp; coef(3) = -0.24403207325952317_dp
605 0 : alpha(4) = 0.1912844969312091_dp; coef(4) = -0.025610699331187835_dp
606 0 : alpha(5) = 0.605311988824089_dp; coef(5) = 0.003533893449371835_dp
607 : CASE (6) ! 3.1217388674065205E-009
608 224 : alpha(1) = 0.01836987035282947_dp; coef(1) = 0.0881865874022419_dp
609 224 : alpha(2) = 0.028283616813330213_dp; coef(2) = 0.58260237820929_dp
610 224 : alpha(3) = 0.0424808315746305_dp; coef(3) = 0.5465800645782257_dp
611 224 : alpha(4) = 0.08775028399997764_dp; coef(4) = -0.20802232268176662_dp
612 224 : alpha(5) = 0.14284922158351138_dp; coef(5) = -0.1117378797434228_dp
613 224 : alpha(6) = 0.6631101746841396_dp; coef(6) = 0.0028390610573703423_dp
614 : CASE DEFAULT
615 224 : CPABORT("Illegal expansion")
616 : END SELECT
617 : CASE (18) ! 6d
618 0 : SELECT CASE (n)
619 : CASE (1) ! 2.8755369986284141E-003
620 0 : alpha(1) = 0.038539962557578994_dp; coef(1) = 1.0000000000000000_dp
621 : CASE (2) ! 1.7076604937522610E-003
622 0 : alpha(1) = 0.018343252403866257_dp; coef(1) = 0.1002697090882244_dp
623 0 : alpha(2) = 0.04095508659742878_dp; coef(2) = 0.921707450678634_dp
624 : CASE (3) ! 3.0182404084921899E-006
625 0 : alpha(1) = 0.026815363906634464_dp; coef(1) = 0.36430995341001843_dp
626 0 : alpha(2) = 0.048285664795074575_dp; coef(2) = 0.6902756637148024_dp
627 0 : alpha(3) = 0.20398527022566643_dp; coef(3) = -0.061643555476797514_dp
628 : CASE (4) ! 1.8149850309345794E-006
629 0 : alpha(1) = 0.014812592588885804_dp; coef(1) = 0.011887725165713237_dp
630 0 : alpha(2) = 0.028604392422323988_dp; coef(2) = 0.4126202273551119_dp
631 0 : alpha(3) = 0.049571759954916264_dp; coef(3) = 0.6324841000859261_dp
632 0 : alpha(4) = 0.20042444873055187_dp; coef(4) = -0.06355840930231531_dp
633 : CASE (5) ! 3.5960594502171261E-009
634 0 : alpha(1) = 0.02104884011402785_dp; coef(1) = 0.09247565169723151_dp
635 0 : alpha(2) = 0.03387333992146401_dp; coef(2) = 0.5183469446932626_dp
636 0 : alpha(3) = 0.05464871753445727_dp; coef(3) = 0.4583625355467117_dp
637 0 : alpha(4) = 0.16559124243612725_dp; coef(4) = -0.06557358037625106_dp
638 0 : alpha(5) = 0.3388543915705088_dp; coef(5) = -0.01073326765431463_dp
639 : CASE (6) ! 2.2458352955112559E-009
640 0 : alpha(1) = 0.012538741501253952_dp; coef(1) = 0.0013891559057176176_dp
641 0 : alpha(2) = 0.022411877391156923_dp; coef(2) = 0.12323543239586941_dp
642 0 : alpha(3) = 0.03502206086139318_dp; coef(3) = 0.516335137452715_dp
643 0 : alpha(4) = 0.05542414129417389_dp; coef(4) = 0.42911284700977503_dp
644 0 : alpha(5) = 0.16410056143462523_dp; coef(5) = -0.065949692922377_dp
645 0 : alpha(6) = 0.33496788346358164_dp; coef(6) = -0.01123082945384288_dp
646 : CASE DEFAULT
647 0 : CPABORT("Illegal expansion")
648 : END SELECT
649 : CASE (19) ! 6f
650 0 : SELECT CASE (n)
651 : CASE (1) ! 1.1589084326864452E-002
652 0 : alpha(1) = 0.04999708511585302_dp; coef(1) = 1._dp
653 : CASE (2) ! 1.0223625463345876E-004
654 0 : alpha(1) = 0.03443190219402774_dp; coef(1) = 0.5095525299458369_dp
655 0 : alpha(2) = 0.06993938754199006_dp; coef(2) = 0.556840322894986_dp
656 : CASE (3) ! 4.5989236926224919E-005
657 0 : alpha(1) = 0.022913376030207443_dp; coef(1) = 0.0844980697596352_dp
658 0 : alpha(2) = 0.040621057779302076_dp; coef(2) = 0.558907102542338_dp
659 0 : alpha(3) = 0.07551452585114922_dp; coef(3) = 0.4268730468790412_dp
660 : CASE (4) ! 4.5763401113063651E-007
661 0 : alpha(1) = 0.026723978066792376_dp; coef(1) = 0.18313299355518015_dp
662 0 : alpha(2) = 0.04675842108187079_dp; coef(2) = 0.5931630352672648_dp
663 0 : alpha(3) = 0.08424111895397314_dp; coef(3) = 0.29815135014219757_dp
664 0 : alpha(4) = 0.40182223710248033_dp; coef(4) = -0.009003129808147884_dp
665 : CASE (5) ! 1.5904061800853242E-007
666 0 : alpha(1) = 0.019820990273457767_dp; coef(1) = 0.026554164306668928_dp
667 0 : alpha(2) = 0.031943455135755784_dp; coef(2) = 0.2857152467032053_dp
668 0 : alpha(3) = 0.05180437300600356_dp; coef(3) = 0.5249457199886216_dp
669 0 : alpha(4) = 0.08839526561404966_dp; coef(4) = 0.23802584890828332_dp
670 0 : alpha(5) = 0.3861344493937384_dp; coef(5) = -0.00959390690588398_dp
671 : CASE (6) ! 2.7517637057883348E-009
672 0 : alpha(1) = 0.021979238503298942_dp; coef(1) = 0.05529549645466706_dp
673 0 : alpha(2) = 0.0353635379450325_dp; coef(2) = 0.36260443662220726_dp
674 0 : alpha(3) = 0.056802330945072296_dp; coef(3) = 0.47981873895702293_dp
675 0 : alpha(4) = 0.09436112630657385_dp; coef(4) = 0.17913120326169676_dp
676 0 : alpha(5) = 0.3258167395765562_dp; coef(5) = -0.010025342773471209_dp
677 0 : alpha(6) = 0.7758137452357111_dp; coef(6) = -0.0013665302206626205_dp
678 : CASE DEFAULT
679 0 : CPABORT("Illegal expansion")
680 : END SELECT
681 : CASE (20) ! 6g
682 0 : SELECT CASE (n)
683 : CASE (1) ! 3.0585704257612756E-002
684 0 : alpha(1) = 0.061536068942275354_dp; coef(1) = 1._dp
685 : CASE (2) ! 8.8136922735637668E-004
686 0 : alpha(1) = 0.04332629465536664_dp; coef(1) = 0.6209033605306379_dp
687 0 : alpha(2) = 0.10013340560986961_dp; coef(2) = 0.4864065117811783_dp
688 : CASE (3) ! 2.7077377396933500E-005
689 0 : alpha(1) = 0.03454561337035713_dp; coef(1) = 0.3227633523004909_dp
690 0 : alpha(2) = 0.06729191664458245_dp; coef(2) = 0.6193784317147506_dp
691 0 : alpha(3) = 0.14454284915249543_dp; coef(3) = 0.1810539000206162_dp
692 : CASE (4) ! 7.7121157393555961E-007
693 0 : alpha(1) = 0.028983896307773004_dp; coef(1) = 0.15152805717139864_dp
694 0 : alpha(2) = 0.05135519389407211_dp; coef(2) = 0.5309701439600488_dp
695 0 : alpha(3) = 0.09369371519055944_dp; coef(3) = 0.37457949569535787_dp
696 0 : alpha(4) = 0.18939419012133174_dp; coef(4) = 0.06851383804287256_dp
697 : CASE (5) ! 4.5646906920993047E-008
698 0 : alpha(1) = 0.024699673908324754_dp; coef(1) = 0.06048210643335771_dp
699 0 : alpha(2) = 0.04083036114944879_dp; coef(2) = 0.3536959373883507_dp
700 0 : alpha(3) = 0.06763537320097322_dp; coef(3) = 0.46434612683985144_dp
701 0 : alpha(4) = 0.1170091091566765_dp; coef(4) = 0.2130170165201656_dp
702 0 : alpha(5) = 0.22066124899602302_dp; coef(5) = 0.0343912188428939_dp
703 : CASE (6) ! 1.8087060515981079E-008
704 0 : alpha(1) = 0.024944035346224053_dp; coef(1) = 0.06443914638193514_dp
705 0 : alpha(2) = 0.04138718127148023_dp; coef(2) = 0.36507904601268215_dp
706 0 : alpha(3) = 0.06886079537637349_dp; coef(3) = 0.4624056701486661_dp
707 0 : alpha(4) = 0.11972435105059721_dp; coef(4) = 0.20306165490832248_dp
708 0 : alpha(5) = 0.22639206282070937_dp; coef(5) = 0.03099725943908058_dp
709 0 : alpha(6) = 1.4892687021530484_dp; coef(6) = -0.00018343848780163463_dp
710 : CASE DEFAULT
711 0 : CPABORT("Illegal expansion")
712 : END SELECT
713 : CASE (21) ! 6h
714 0 : SELECT CASE (n)
715 : CASE (1) ! 5.3899613359310816E-002
716 0 : alpha(1) = 0.07313314184000295_dp; coef(1) = 1._dp
717 : CASE (2) ! 2.7493626733567922E-003
718 0 : alpha(1) = 0.05113303517913134_dp; coef(1) = 0.6498709211538302_dp
719 0 : alpha(2) = 0.12607272311510218_dp; coef(2) = 0.4911257514330729_dp
720 : CASE (3) ! 1.6537265492422293E-004
721 0 : alpha(1) = 0.040851454032819305_dp; coef(1) = 0.3746467681927208_dp
722 0 : alpha(2) = 0.08415648437016819_dp; coef(2) = 0.6132065860909666_dp
723 0 : alpha(3) = 0.1974425255793456_dp; coef(3) = 0.18179709985670622_dp
724 : CASE (4) ! 1.1617584376732992E-005
725 0 : alpha(1) = 0.034679493065603105_dp; coef(1) = 0.20806488992498948_dp
726 0 : alpha(2) = 0.06498507795614539_dp; coef(2) = 0.5659152898854298_dp
727 0 : alpha(3) = 0.1276799968878006_dp; coef(3) = 0.3407357791588573_dp
728 0 : alpha(4) = 0.293954336816017_dp; coef(4) = 0.061163634708810435_dp
729 : CASE (5) ! 9.3645049425994387E-007
730 0 : alpha(1) = 0.030487493495559674_dp; coef(1) = 0.1147257294844731_dp
731 0 : alpha(2) = 0.05371457065868773_dp; coef(2) = 0.45668261354533374_dp
732 0 : alpha(3) = 0.09619925104884211_dp; coef(3) = 0.434116528713387_dp
733 0 : alpha(4) = 0.18557752006634115_dp; coef(4) = 0.15177021621261605_dp
734 0 : alpha(5) = 0.42330005591830827_dp; coef(5) = 0.02006866296723323_dp
735 : CASE (6) ! 8.5105151370612475E-008
736 0 : alpha(1) = 0.027419761875036298_dp; coef(1) = 0.06355638710922437_dp
737 0 : alpha(2) = 0.04620886209790054_dp; coef(2) = 0.34336050905161936_dp
738 0 : alpha(3) = 0.07793999480997445_dp; coef(3) = 0.45863493125119364_dp
739 0 : alpha(4) = 0.13712767813357474_dp; coef(4) = 0.24456067327385683_dp
740 0 : alpha(5) = 0.2621356941062822_dp; coef(5) = 0.061018224093793164_dp
741 0 : alpha(6) = 0.5948121608710077_dp; coef(6) = 0.006618011961621055_dp
742 : CASE DEFAULT
743 0 : CPABORT("Illegal expansion")
744 : END SELECT
745 : CASE (22) ! 7s
746 0 : SELECT CASE (n)
747 : CASE (1) ! 0.13154539754786043
748 0 : alpha(1) = 0.012170316100569041_dp; coef(1) = 1._dp
749 : CASE (2) ! 1.2167263197611078E-003
750 0 : alpha(1) = 0.02380792064880498_dp; coef(1) = 2.4733498823505897_dp
751 0 : alpha(2) = 0.0413963085083486_dp; coef(2) = -1.7500626134752972_dp
752 : CASE (3) ! 9.2369221911248189E-006
753 0 : alpha(1) = 0.020979847986630586_dp; coef(1) = 1.675236183601737_dp
754 0 : alpha(2) = 0.061178936229820555_dp; coef(2) = -1.147227387784115_dp
755 0 : alpha(3) = 0.1401881324437541_dp; coef(3) = 0.2121061484210291_dp
756 : CASE (4) ! 2.7376448663574138E-008
757 0 : alpha(1) = 0.015915368005026652_dp; coef(1) = 0.3275001969711621_dp
758 0 : alpha(2) = 0.023863997843078046_dp; coef(2) = 1.5476507021661345_dp
759 0 : alpha(3) = 0.054562166429946386_dp; coef(3) = -1.2697132490611722_dp
760 0 : alpha(4) = 0.16342646591350343_dp; coef(4) = 0.13574231777373438_dp
761 : CASE (5) ! 1.0587942078643664E-008
762 0 : alpha(1) = 0.01606210559622015_dp; coef(1) = 0.3489870695674181_dp
763 0 : alpha(2) = 0.024001717565201447_dp; coef(2) = 1.5335261688987925_dp
764 0 : alpha(3) = 0.05439364645164688_dp; coef(3) = -1.275299080068857_dp
765 0 : alpha(4) = 0.16456835599844608_dp; coef(4) = 0.13406783441420897_dp
766 0 : alpha(5) = 1.8632404725730192_dp; coef(5) = -0.0001818568135349486_dp
767 : CASE (6) ! 4.4852654923488444E-010
768 0 : alpha(1) = 0.01565231604983483_dp; coef(1) = 0.29154442199853614_dp
769 0 : alpha(2) = 0.023623292255693457_dp; coef(2) = 1.5691344169994597_dp
770 0 : alpha(3) = 0.05497538487325693_dp; coef(3) = -1.2618704056879249_dp
771 0 : alpha(4) = 0.15604786033627724_dp; coef(4) = 0.13683678315315853_dp
772 0 : alpha(5) = 0.30526699650551353_dp; coef(5) = 0.006442390493458186_dp
773 0 : alpha(6) = 0.7613613898332257_dp; coef(6) = -0.0009736214432373223_dp
774 : CASE DEFAULT
775 0 : CPABORT("Illegal expansion")
776 : END SELECT
777 : CASE (23) ! 7p
778 0 : SELECT CASE (n)
779 : CASE (1) ! 3.3186835107151591E-002
780 0 : alpha(1) = 0.02056749089204262_dp; coef(1) = 1.0000000000000000_dp
781 : CASE (2) ! 1.7064265376842691E-004
782 0 : alpha(1) = 0.02509434622887706_dp; coef(1) = 1.1953936450048124_dp
783 0 : alpha(2) = 0.07932687651759715_dp; coef(2) = -0.33554981426999153_dp
784 : CASE (3) ! 2.6561728884821889E-005
785 0 : alpha(1) = 0.02216294295259616_dp; coef(1) = 0.8184285461616602_dp
786 0 : alpha(2) = 0.042045475539838104_dp; coef(2) = 0.8328277926936017_dp
787 0 : alpha(3) = 0.0622825034958455_dp; coef(3) = -0.7865628896072743_dp
788 : CASE (4) ! 2.4336365811450378E-008
789 0 : alpha(1) = 0.01798640692496774_dp; coef(1) = 0.2517796607641491_dp
790 0 : alpha(2) = 0.02838134507613473_dp; coef(2) = 1.0084655616939668_dp
791 0 : alpha(3) = 0.07596133909152862_dp; coef(3) = -0.40416345513837804_dp
792 0 : alpha(4) = 0.30794728288131357_dp; coef(4) = 0.011606225585276365_dp
793 : CASE (5) ! 1.6583495687783056E-008
794 0 : alpha(1) = 0.018253221396022562_dp; coef(1) = 0.27532738928860534_dp
795 0 : alpha(2) = 0.028708043693626412_dp; coef(2) = 0.9951443329321299_dp
796 0 : alpha(3) = 0.07061876309146031_dp; coef(3) = -0.2663034712401708_dp
797 0 : alpha(4) = 0.08392634608758946_dp; coef(4) = -0.1489548148570699_dp
798 0 : alpha(5) = 0.298415801799801_dp; coef(5) = 0.012451440490101195_dp
799 : CASE (6) ! 7.4004156136453503E-009
800 0 : alpha(1) = 0.182855762756E-01_dp; coef(1) = 0.278085459258E+00_dp
801 0 : alpha(2) = 0.287346322524E-01_dp; coef(2) = 0.992180661793E+00_dp
802 0 : alpha(3) = 0.738243712945E-01_dp; coef(3) = -0.397256781529E+00_dp
803 0 : alpha(4) = 0.127917472538E+00_dp; coef(4) = -0.238118471506E-01_dp
804 0 : alpha(5) = 0.240852415504E+00_dp; coef(5) = 0.170287124112E-01_dp
805 0 : alpha(6) = 0.507988199812E+00_dp; coef(6) = 0.146798451062E-02_dp
806 : CASE DEFAULT
807 0 : CPABORT("Illegal expansion")
808 : END SELECT
809 : CASE (24) ! 7d
810 0 : SELECT CASE (n)
811 : CASE (1) ! 5.0327602037498753E-003
812 0 : alpha(1) = 0.02909039015051073_dp; coef(1) = 1.0000000000000002_dp
813 : CASE (2) ! 6.3288899527891296E-004
814 0 : alpha(1) = 0.03018482426518148_dp; coef(1) = 1.025499895914138_dp
815 0 : alpha(2) = 0.15242731708213653_dp; coef(2) = -0.0801196219224754_dp
816 : CASE (3) ! 5.3862101490054215E-007
817 0 : alpha(1) = 0.021405281219812042_dp; coef(1) = 0.2999132044312777_dp
818 0 : alpha(2) = 0.03568228986173447_dp; coef(2) = 0.7809338560049855_dp
819 0 : alpha(3) = 0.11574152434647746_dp; coef(3) = -0.1242352213758718_dp
820 : CASE (4) ! 3.8222040621427311E-007
821 0 : alpha(1) = 0.021660976213634955_dp; coef(1) = 0.3177854736353611_dp
822 0 : alpha(2) = 0.03606163962267541_dp; coef(2) = 0.7675316218690252_dp
823 0 : alpha(3) = 0.10985898319545016_dp; coef(3) = -0.11712958841599931_dp
824 0 : alpha(4) = 0.15908195611925_dp; coef(4) = -0.011747385912275846_dp
825 : CASE (5) ! 2.5139247838978918E-007
826 0 : alpha(1) = 0.216681757691E-01_dp; coef(1) = 0.318168815768E+00_dp
827 0 : alpha(2) = 0.360617800244E-01_dp; coef(2) = 0.766844168160E+00_dp
828 0 : alpha(3) = 0.111939820291E+00_dp; coef(3) = -0.125488126534E+00_dp
829 0 : alpha(4) = 0.276558830755E+00_dp; coef(4) = -0.448229683916E-02_dp
830 0 : alpha(5) = 0.502378300635E+00_dp; coef(5) = 0.158547872047E-02_dp
831 : CASE (6) ! 3.6283775983747546E-010
832 0 : alpha(1) = 0.017457157083607015_dp; coef(1) = 0.07250557935571439_dp
833 0 : alpha(2) = 0.026593769405605233_dp; coef(2) = 0.5007763109536889_dp
834 0 : alpha(3) = 0.04008932402169768_dp; coef(3) = 0.5339957399786912_dp
835 0 : alpha(4) = 0.09560872001992007_dp; coef(4) = -0.11880032574322265_dp
836 0 : alpha(5) = 0.15425745053701811_dp; coef(5) = -0.03241452360588799_dp
837 0 : alpha(6) = 0.5964979973145561_dp; coef(6) = 0.0007012418324482315_dp
838 : CASE DEFAULT
839 0 : CPABORT("Illegal expansion")
840 : END SELECT
841 : CASE (25) ! 7f
842 0 : SELECT CASE (n)
843 : CASE (1) ! 4.4122414620793027E-003
844 0 : alpha(1) = 0.037696619888011394_dp; coef(1) = 1._dp
845 : CASE (2) ! 3.8052356073725591E-004
846 0 : alpha(1) = 0.02399618488506292_dp; coef(1) = 0.2938876408614713_dp
847 0 : alpha(2) = 0.0441727483070652_dp; coef(2) = 0.7461850531456674_dp
848 : CASE (3) ! 8.2161018017945509E-006
849 0 : alpha(1) = 0.02649072884749045_dp; coef(1) = 0.41965629582857367_dp
850 0 : alpha(2) = 0.04781482493797306_dp; coef(2) = 0.6320266162094202_dp
851 0 : alpha(3) = 0.20807007812612838_dp; coef(3) = -0.025856724476949224_dp
852 : CASE (4) ! 4.3613902489525458E-007
853 0 : alpha(1) = 0.019516667217357033_dp; coef(1) = 0.07760665191295739_dp
854 0 : alpha(2) = 0.031536542788218214_dp; coef(2) = 0.5138599419165162_dp
855 0 : alpha(3) = 0.0518809354792556_dp; coef(3) = 0.4658306981238731_dp
856 0 : alpha(4) = 0.18978036627517764_dp; coef(4) = -0.03032718718680631_dp
857 : CASE (5) ! 1.3995496761509685E-008
858 0 : alpha(1) = 0.02085272354115486_dp; coef(1) = 0.11822768394863675_dp
859 0 : alpha(2) = 0.033574888134901455_dp; coef(2) = 0.5490677063820284_dp
860 0 : alpha(3) = 0.05432263605261335_dp; coef(3) = 0.3941968220546063_dp
861 0 : alpha(4) = 0.1670441095948162_dp; coef(4) = -0.031436205691901344_dp
862 0 : alpha(5) = 0.3442595341279306_dp; coef(5) = -0.0033909812829636394_dp
863 : CASE (6) ! 8.1826723175026927E-010
864 0 : alpha(1) = 0.01641594422436568_dp; coef(1) = 0.01709822656839514_dp
865 0 : alpha(2) = 0.024762426761735977_dp; coef(2) = 0.22140165119709196_dp
866 0 : alpha(3) = 0.03711681387997685_dp; coef(3) = 0.5157825082425954_dp
867 0 : alpha(4) = 0.057006537132452996_dp; coef(4) = 0.30947877900909615_dp
868 0 : alpha(5) = 0.15940261392199198_dp; coef(5) = -0.032377223278152595_dp
869 0 : alpha(6) = 0.3168807735151213_dp; coef(6) = -0.004680397785899489_dp
870 : CASE DEFAULT
871 0 : CPABORT("Illegal expansion")
872 : END SELECT
873 : CASE (26) ! 7g
874 0 : SELECT CASE (n)
875 : CASE (1) ! 1.6232140186735133E-002
876 0 : alpha(1) = 0.04636088534182354_dp; coef(1) = 1.0000000000000002_dp
877 : CASE (2) ! 1.8148563973063858E-004
878 0 : alpha(1) = 0.033089231025105_dp; coef(1) = 0.5580805992890315_dp
879 0 : alpha(2) = 0.06689561975474233_dp; coef(2) = 0.5213501458304487_dp
880 : CASE (3) ! 7.1118265680958359E-006
881 0 : alpha(1) = 0.02536613332751714_dp; coef(1) = 0.1958347745511226_dp
882 0 : alpha(2) = 0.04392292490201606_dp; coef(2) = 0.6069779654592313_dp
883 0 : alpha(3) = 0.07935572931927462_dp; coef(3) = 0.28358299617643856_dp
884 : CASE (4) ! 1.3483475262976441E-006
885 0 : alpha(1) = 0.026003867919966516_dp; coef(1) = 0.2209616450163026_dp
886 0 : alpha(2) = 0.045349648935287534_dp; coef(2) = 0.6131566254139853_dp
887 0 : alpha(3) = 0.08207336886154683_dp; coef(3) = 0.25321528599323867_dp
888 0 : alpha(4) = 0.43630841028097767_dp; coef(4) = -0.0028051508587602996_dp
889 : CASE (5) ! 2.3403034621338747E-008
890 0 : alpha(1) = 0.021295076240560495_dp; coef(1) = 0.06733674728927509_dp
891 0 : alpha(2) = 0.03407297844465803_dp; coef(2) = 0.39912419436935137_dp
892 0 : alpha(3) = 0.05463343066262556_dp; coef(3) = 0.47165433606934565_dp
893 0 : alpha(4) = 0.09142718539759649_dp; coef(4) = 0.15054429419419305_dp
894 0 : alpha(5) = 0.3631735814032239_dp; coef(5) = -0.003735801628196915_dp
895 : CASE (6) ! 8.6698974666177264E-009
896 0 : alpha(1) = 0.02154419398101922_dp; coef(1) = 0.07294053032928545_dp
897 0 : alpha(2) = 0.03458506500828156_dp; coef(2) = 0.41255126079553106_dp
898 0 : alpha(3) = 0.055591221080949486_dp; coef(3) = 0.4632159545572935_dp
899 0 : alpha(4) = 0.0929128679746364_dp; coef(4) = 0.14023937661406255_dp
900 0 : alpha(5) = 0.3353651542417124_dp; coef(5) = -0.00381264707490568_dp
901 0 : alpha(6) = 0.8332537115987487_dp; coef(6) = -0.0002777669788215993_dp
902 : CASE DEFAULT
903 0 : CPABORT("Illegal expansion")
904 : END SELECT
905 : CASE (27) ! 7h
906 0 : SELECT CASE (n)
907 : CASE (1) ! 3.3956902793941257E-002
908 0 : alpha(1) = 0.055067144574685124_dp; coef(1) = 1.0000000000000002_dp
909 : CASE (2) ! 1.0620083024626137E-003
910 0 : alpha(1) = 0.039504306298949056_dp; coef(1) = 0.6244224977499361_dp
911 0 : alpha(2) = 0.08748752023471955_dp; coef(2) = 0.48947010311740946_dp
912 : CASE (3) ! 3.6773022004554790E-005
913 0 : alpha(1) = 0.031898703524951964_dp; coef(1) = 0.329315310335007_dp
914 0 : alpha(2) = 0.060322239914691864_dp; coef(2) = 0.6230689660925297_dp
915 0 : alpha(3) = 0.12542722211419774_dp; coef(3) = 0.1792628471936351_dp
916 : CASE (4) ! 1.3161279064366482E-006
917 0 : alpha(1) = 0.027133297390849163_dp; coef(1) = 0.16105237279351875_dp
918 0 : alpha(2) = 0.04709911293196238_dp; coef(2) = 0.5444503553138231_dp
919 0 : alpha(3) = 0.08417053216258696_dp; coef(3) = 0.36701928787783233_dp
920 0 : alpha(4) = 0.16769024925679932_dp; coef(4) = 0.06200372233567246_dp
921 : CASE (5) ! 4.2949577450102083E-008
922 0 : alpha(1) = 0.0236897013320386_dp; coef(1) = 0.07357940603188007_dp
923 0 : alpha(2) = 0.0387782492773279_dp; coef(2) = 0.39203903619828495_dp
924 0 : alpha(3) = 0.0637197820910416_dp; coef(3) = 0.46247919691910666_dp
925 0 : alpha(4) = 0.10978567271801772_dp; coef(4) = 0.1832898128285397_dp
926 0 : alpha(5) = 0.2085364358880184_dp; coef(5) = 0.023617413014962847_dp
927 : CASE (6) ! 2.7450561823627595E-009
928 0 : alpha(1) = 0.020820906789523693_dp; coef(1) = 0.029194538236458435_dp
929 0 : alpha(2) = 0.032494198134763036_dp; coef(2) = 0.23574088940165333_dp
930 0 : alpha(3) = 0.05023584266268183_dp; coef(3) = 0.44360291827793874_dp
931 0 : alpha(4) = 0.0794251556241889_dp; coef(4) = 0.3155567845762703_dp
932 0 : alpha(5) = 0.13148712880820534_dp; coef(5) = 0.09872391034903429_dp
933 0 : alpha(6) = 0.2359872300875659_dp; coef(6) = 0.012260115931631366_dp
934 : CASE DEFAULT
935 0 : CPABORT("Illegal expansion")
936 : END SELECT
937 : CASE (28) ! 7i
938 0 : SELECT CASE (n)
939 : CASE (1) ! 5.4422862380136161E-002
940 0 : alpha(1) = 0.06380473723420682_dp; coef(1) = 0.9999999999999998_dp
941 : CASE (2) ! 2.6995295321672330E-003
942 0 : alpha(1) = 0.045457834184705205_dp; coef(1) = 0.6463784604860205_dp
943 0 : alpha(2) = 0.10559967649617007_dp; coef(2) = 0.49629977931368163_dp
944 : CASE (3) ! 1.5458937276235929E-004
945 0 : alpha(1) = 0.03666777792117483_dp; coef(1) = 0.3678119967003228_dp
946 0 : alpha(2) = 0.07224640498805254_dp; coef(2) = 0.618554233547922_dp
947 0 : alpha(3) = 0.15965614371413928_dp; coef(3) = 0.18501800416077063_dp
948 : CASE (4) ! 1.0208819409163183E-005
949 0 : alpha(1) = 0.031314605885208034_dp; coef(1) = 0.20067272567322478_dp
950 0 : alpha(2) = 0.05654362551330421_dp; coef(2) = 0.5656501384781_dp
951 0 : alpha(3) = 0.1062477818701912_dp; coef(3) = 0.3489852946890129_dp
952 0 : alpha(4) = 0.230241610829344_dp; coef(4) = 0.06217858499289526_dp
953 : CASE (5) ! 7.6749801847242338E-007
954 0 : alpha(1) = 0.02764326937219174_dp; coef(1) = 0.1083794411727515_dp
955 0 : alpha(2) = 0.047149043197080166_dp; coef(2) = 0.4503068342384467_dp
956 0 : alpha(3) = 0.08137277011103897_dp; coef(3) = 0.4431260931378365_dp
957 0 : alpha(4) = 0.1500423393404324_dp; coef(4) = 0.15687089041229385_dp
958 0 : alpha(5) = 0.32194304635741355_dp; coef(5) = 0.020215660073712404_dp
959 : CASE (6) ! 6.4734517968290106E-008
960 0 : alpha(1) = 0.024937530903194137_dp; coef(1) = 0.058696755716280226_dp
961 0 : alpha(2) = 0.04081596003413946_dp; coef(2) = 0.3330255270864295_dp
962 0 : alpha(3) = 0.06665805855772095_dp; coef(3) = 0.4640568401312629_dp
963 0 : alpha(4) = 0.11296341467059927_dp; coef(4) = 0.253753255644_dp
964 0 : alpha(5) = 0.2062966749989214_dp; coef(5) = 0.06316006418978992_dp
965 0 : alpha(6) = 0.4401320366389093_dp; coef(6) = 0.0065607991581329616_dp
966 : CASE DEFAULT
967 0 : CPABORT("Illegal expansion")
968 : END SELECT
969 : CASE (29) ! 8s
970 0 : SELECT CASE (n)
971 : CASE (1) !Final Error 0.16012012792726149 Nfun: 26
972 0 : alpha(1) = 0.954817062770E-02_dp; coef(1) = 0.100000000000E+01_dp
973 : CASE (2) !Final Error 2.5381935191433058E-003 Nfun: 5000
974 0 : alpha(1) = 0.233437156506E-01_dp; coef(1) = 0.119129429454E+02_dp
975 0 : alpha(2) = 0.258428856774E-01_dp; coef(2) = -0.112184681311E+02_dp
976 : CASE (3) !Final Error 3.7901704366127831E-006 Nfun: 84
977 0 : alpha(1) = 0.180016350547E-01_dp; coef(1) = 0.192251210431E+01_dp
978 0 : alpha(2) = 0.483977532005E-01_dp; coef(2) = -0.174735592554E+01_dp
979 0 : alpha(3) = 0.862089558510E-01_dp; coef(3) = 0.542216684260E+00_dp
980 : CASE (4) !Final Error 8.7725764097434933E-007 Nfun: 124
981 0 : alpha(1) = 0.112292312447E-01_dp; coef(1) = 0.800230664629E-01_dp
982 0 : alpha(2) = 0.189551778937E-01_dp; coef(2) = 0.198501632216E+01_dp
983 0 : alpha(3) = 0.447185315682E-01_dp; coef(3) = -0.172756054240E+01_dp
984 0 : alpha(4) = 0.936481128491E-01_dp; coef(4) = 0.380520807030E+00_dp
985 : CASE (5) !Final Error 6.5327121490099671E-010 Nfun: 156
986 0 : alpha(1) = 0.140923696754E-01_dp; coef(1) = 0.372819666670E+00_dp
987 0 : alpha(2) = 0.204188098143E-01_dp; coef(2) = 0.184957327860E+01_dp
988 0 : alpha(3) = 0.421384023783E-01_dp; coef(3) = -0.179644496345E+01_dp
989 0 : alpha(4) = 0.103255591497E+00_dp; coef(4) = 0.295269129687E+00_dp
990 0 : alpha(5) = 0.407317552947E+00_dp; coef(5) = -0.363956012755E-02_dp
991 : CASE (6) !Final Error 3.5843905621391059E-010 Nfun: 202
992 0 : alpha(1) = 0.774373712240E-02_dp; coef(1) = 0.177912928441E-02_dp
993 0 : alpha(2) = 0.146710572275E-01_dp; coef(2) = 0.473873521097E+00_dp
994 0 : alpha(3) = 0.207400451684E-01_dp; coef(3) = 0.176348848069E+01_dp
995 0 : alpha(4) = 0.420012824724E-01_dp; coef(4) = -0.181118198359E+01_dp
996 0 : alpha(5) = 0.103495646254E+00_dp; coef(5) = 0.293340582373E+00_dp
997 0 : alpha(6) = 0.403606855142E+00_dp; coef(6) = -0.371676924018E-02_dp
998 : CASE DEFAULT
999 0 : CPABORT("Illegal expansion")
1000 : END SELECT
1001 : CASE (30) ! 8p
1002 0 : SELECT CASE (n)
1003 : CASE (1) ! Final Error 4.9424644896695069E-002 Nfun: 32
1004 0 : alpha(1) = 0.161028140061E-01_dp; coef(1) = 0.100000000000E+01_dp
1005 : CASE (2) ! Final Error 2.8975996622193634E-004 Nfun: 56
1006 0 : alpha(1) = 0.214927884597E-01_dp; coef(1) = 0.137340335964E+01_dp
1007 0 : alpha(2) = 0.517288456046E-01_dp; coef(2) = -0.543362689377E+00_dp
1008 : CASE (3) ! Final Error 2.4112893364236498E-005 Nfun: 5000
1009 0 : alpha(1) = 0.207032799112E-01_dp; coef(1) = 0.125897435808E+01_dp
1010 0 : alpha(2) = 0.775417675460E-01_dp; coef(2) = -0.175313428477E+01_dp
1011 0 : alpha(3) = 0.853618175731E-01_dp; coef(3) = 0.133222160068E+01_dp
1012 : CASE (4) ! Final Error 5.1550181900950065E-009 Nfun: 115
1013 0 : alpha(1) = 0.157817873157E-01_dp; coef(1) = 0.275272236164E+00_dp
1014 0 : alpha(2) = 0.237507657245E-01_dp; coef(2) = 0.113175870878E+01_dp
1015 0 : alpha(3) = 0.546913738102E-01_dp; coef(3) = -0.604838325903E+00_dp
1016 0 : alpha(4) = 0.162719740193E+00_dp; coef(4) = 0.379559818155E-01_dp
1017 : CASE (5) ! Final Error 3.3981357727697059E-009 Nfun: 208
1018 0 : alpha(1) = 0.831136251369E-02_dp; coef(1) = 0.120783003696E-02_dp
1019 0 : alpha(2) = 0.162032540236E-01_dp; coef(2) = 0.311803068732E+00_dp
1020 0 : alpha(3) = 0.239700730039E-01_dp; coef(3) = 0.109809634731E+01_dp
1021 0 : alpha(4) = 0.545591646588E-01_dp; coef(4) = -0.608585838680E+00_dp
1022 0 : alpha(5) = 0.163206247987E+00_dp; coef(5) = 0.376432425906E-01_dp
1023 : CASE (6) ! Final Error 1.7629542270469756E-009 Nfun: 181
1024 0 : alpha(1) = 0.762583234870E-02_dp; coef(1) = 0.608041238574E-03_dp
1025 0 : alpha(2) = 0.159886043406E-01_dp; coef(2) = 0.290715964586E+00_dp
1026 0 : alpha(3) = 0.238233242498E-01_dp; coef(3) = 0.111572208650E+01_dp
1027 0 : alpha(4) = 0.547475656337E-01_dp; coef(4) = -0.605573011155E+00_dp
1028 0 : alpha(5) = 0.159838909861E+00_dp; coef(5) = 0.381832212541E-01_dp
1029 0 : alpha(6) = 0.303650029843E+00_dp; coef(6) = 0.521829479449E-03_dp
1030 : CASE DEFAULT
1031 0 : CPABORT("Illegal expansion")
1032 : END SELECT
1033 : CASE (31) ! 8d
1034 0 : SELECT CASE (n)
1035 : CASE (1) ! Final Error 1.1007451787931499E-002 Nfun: 30
1036 0 : alpha(1) = 0.227452786936E-01_dp; coef(1) = 0.100000000000E+01_dp
1037 : CASE (2) ! Final Error 2.6261780162051274E-004 Nfun: 59
1038 0 : alpha(1) = 0.246415518724E-01_dp; coef(1) = 0.106888910159E+01_dp
1039 0 : alpha(2) = 0.882423565832E-01_dp; coef(2) = -0.150832991506E+00_dp
1040 : CASE (3) ! Final Error 3.1438629715108135E-006 Nfun: 79
1041 0 : alpha(1) = 0.187908325877E-01_dp; coef(1) = 0.345753063788E+00_dp
1042 0 : alpha(2) = 0.294062808451E-01_dp; coef(2) = 0.805900635094E+00_dp
1043 0 : alpha(3) = 0.729972483983E-01_dp; coef(3) = -0.226419150580E+00_dp
1044 : CASE (4) ! Final Error 4.6681045251517617E-008 Nfun: 155
1045 0 : alpha(1) = 0.180591659594E-01_dp; coef(1) = 0.276777914435E+00_dp
1046 0 : alpha(2) = 0.284516297282E-01_dp; coef(2) = 0.859179877241E+00_dp
1047 0 : alpha(3) = 0.757835234545E-01_dp; coef(3) = -0.212512286908E+00_dp
1048 0 : alpha(4) = 0.316179197045E+00_dp; coef(4) = 0.290411896524E-02_dp
1049 : CASE (5) ! Final Error 2.8592438860997049E-008 Nfun: 157
1050 0 : alpha(1) = 0.788957125965E-02_dp; coef(1) = 0.922033355948E-03_dp
1051 0 : alpha(2) = 0.184048411402E-01_dp; coef(2) = 0.297899483367E+00_dp
1052 0 : alpha(3) = 0.286569642469E-01_dp; coef(3) = 0.838829716148E+00_dp
1053 0 : alpha(4) = 0.755539142959E-01_dp; coef(4) = -0.214060069719E+00_dp
1054 0 : alpha(5) = 0.321295771453E+00_dp; coef(5) = 0.281601399193E-02_dp
1055 : CASE (6) ! Final Error 2.5824181237865673E-008 Nfun: 360
1056 0 : alpha(1) = 0.799566301376E-02_dp; coef(1) = 0.989916078242E-03_dp
1057 0 : alpha(2) = 0.184314393623E-01_dp; coef(2) = 0.299806753776E+00_dp
1058 0 : alpha(3) = 0.286793174182E-01_dp; coef(3) = 0.837161648054E+00_dp
1059 0 : alpha(4) = 0.754861483294E-01_dp; coef(4) = -0.214279054211E+00_dp
1060 0 : alpha(5) = 0.347665717476E+00_dp; coef(5) = 0.316665708546E-02_dp
1061 0 : alpha(6) = 0.519145041687E+00_dp; coef(6) = -0.456310557032E-03_dp
1062 : CASE DEFAULT
1063 0 : CPABORT("Illegal expansion")
1064 : END SELECT
1065 : CASE (32) ! 8f
1066 0 : SELECT CASE (n)
1067 : CASE (1) ! Final Error 2.2576226875590244E-003 Nfun: 34
1068 0 : alpha(1) = 0.294475259826E-01_dp; coef(1) = 0.100000000000E+01_dp
1069 : CASE (2) ! Final Error 1.5251988552043017E-003 Nfun: 57
1070 0 : alpha(1) = 0.296782812720E-01_dp; coef(1) = 0.100475463592E+01_dp
1071 0 : alpha(2) = 0.190795493774E+00_dp; coef(2) = -0.287320744182E-01_dp
1072 : CASE (3) ! Final Error 1.1028715960481605E-006 Nfun: 81
1073 0 : alpha(1) = 0.213883927368E-01_dp; coef(1) = 0.349292158371E+00_dp
1074 0 : alpha(2) = 0.356767971245E-01_dp; coef(2) = 0.706980758418E+00_dp
1075 0 : alpha(3) = 0.115522086790E+00_dp; coef(3) = -0.624625138479E-01_dp
1076 : CASE (4) ! Final Error 2.5905283851379579E-007 Nfun: 114
1077 0 : alpha(1) = 0.135735156650E-01_dp; coef(1) = 0.160565058328E-01_dp
1078 0 : alpha(2) = 0.230188101338E-01_dp; coef(2) = 0.412074616105E+00_dp
1079 0 : alpha(3) = 0.367683495092E-01_dp; coef(3) = 0.631581445296E+00_dp
1080 0 : alpha(4) = 0.113172928529E+00_dp; coef(4) = -0.654897582475E-01_dp
1081 : CASE (5) ! Final Error 9.1994127870975717E-009 Nfun: 138
1082 0 : alpha(1) = 0.174175453826E-01_dp; coef(1) = 0.926732388033E-01_dp
1083 0 : alpha(2) = 0.266164388803E-01_dp; coef(2) = 0.530370002863E+00_dp
1084 0 : alpha(3) = 0.402882842937E-01_dp; coef(3) = 0.452897093313E+00_dp
1085 0 : alpha(4) = 0.909981814695E-01_dp; coef(4) = -0.598885399214E-01_dp
1086 0 : alpha(5) = 0.140524344225E+00_dp; coef(5) = -0.220199882869E-01_dp
1087 : CASE (6) ! Final Error 9.2777363569496174E-010 Nfun: 201
1088 0 : alpha(1) = 0.171461611966E-01_dp; coef(1) = 0.818763681195E-01_dp
1089 0 : alpha(2) = 0.261005461673E-01_dp; coef(2) = 0.507613187845E+00_dp
1090 0 : alpha(3) = 0.395039423214E-01_dp; coef(3) = 0.481514356460E+00_dp
1091 0 : alpha(4) = 0.991873066686E-01_dp; coef(4) = -0.676983741468E-01_dp
1092 0 : alpha(5) = 0.169263793429E+00_dp; coef(5) = -0.951176902180E-02_dp
1093 0 : alpha(6) = 0.446424281621E+00_dp; coef(6) = 0.287939510863E-03_dp
1094 : CASE DEFAULT
1095 0 : CPABORT("Illegal expansion")
1096 : END SELECT
1097 : CASE (33) ! 8g
1098 0 : SELECT CASE (n)
1099 : CASE (1) ! Final Error 7.6546829464960719E-003 Nfun: 32
1100 0 : alpha(1) = 0.361922956953E-01_dp; coef(1) = 0.100000000000E+01_dp
1101 : CASE (2) ! Final Error 9.1507803362755880E-005 Nfun: 56
1102 0 : alpha(1) = 0.253468957727E-01_dp; coef(1) = 0.432183514630E+00_dp
1103 0 : alpha(2) = 0.457296941015E-01_dp; coef(2) = 0.622891258660E+00_dp
1104 : CASE (3) ! Final Error 2.5033245749872535E-005 Nfun: 83
1105 0 : alpha(1) = 0.258871489345E-01_dp; coef(1) = 0.465225762875E+00_dp
1106 0 : alpha(2) = 0.467908293387E-01_dp; coef(2) = 0.592676637235E+00_dp
1107 0 : alpha(3) = 0.235898727433E+00_dp; coef(3) = -0.936999722044E-02_dp
1108 : CASE (4) ! Final Error 1.2374131963532875E-007 Nfun: 99
1109 0 : alpha(1) = 0.202912068011E-01_dp; coef(1) = 0.134834556651E+00_dp
1110 0 : alpha(2) = 0.325870891557E-01_dp; coef(2) = 0.568204416951E+00_dp
1111 0 : alpha(3) = 0.529799382791E-01_dp; coef(3) = 0.361768272513E+00_dp
1112 0 : alpha(4) = 0.182951379245E+00_dp; coef(4) = -0.143138058545E-01_dp
1113 : CASE (5) ! Final Error 6.1520559757610727E-008 Nfun: 137
1114 0 : alpha(1) = 0.204904098441E-01_dp; coef(1) = 0.143247104144E+00_dp
1115 0 : alpha(2) = 0.329662129320E-01_dp; coef(2) = 0.574577306053E+00_dp
1116 0 : alpha(3) = 0.535480229206E-01_dp; coef(3) = 0.347771773873E+00_dp
1117 0 : alpha(4) = 0.173905195437E+00_dp; coef(4) = -0.146105870157E-01_dp
1118 0 : alpha(5) = 0.411974802698E+00_dp; coef(5) = -0.630478427757E-03_dp
1119 : CASE (6) ! Final Error 2.8878899271944647E-010 Nfun: 224
1120 0 : alpha(1) = 0.169892734782E-01_dp; coef(1) = 0.343634181341E-01_dp
1121 0 : alpha(2) = 0.255306653359E-01_dp; coef(2) = 0.297490048232E+00_dp
1122 0 : alpha(3) = 0.380226605577E-01_dp; coef(3) = 0.504330081770E+00_dp
1123 0 : alpha(4) = 0.578237162858E-01_dp; coef(4) = 0.232028681855E+00_dp
1124 0 : alpha(5) = 0.156319297580E+00_dp; coef(5) = -0.158757742665E-01_dp
1125 0 : alpha(6) = 0.303215876261E+00_dp; coef(6) = -0.190549114536E-02_dp
1126 : CASE DEFAULT
1127 0 : CPABORT("Illegal expansion")
1128 : END SELECT
1129 : CASE (34) ! 8h
1130 0 : SELECT CASE (n)
1131 : CASE (1) ! Final Error 2.0263452932776316E-002 Nfun: 30
1132 0 : alpha(1) = 0.429683678636E-01_dp; coef(1) = 0.100000000000E+01_dp
1133 : CASE (2) ! Final Error 3.1675309856771250E-004 Nfun: 55
1134 0 : alpha(1) = 0.313343436418E-01_dp; coef(1) = 0.581445295878E+00_dp
1135 0 : alpha(2) = 0.624854594695E-01_dp; coef(2) = 0.507843999042E+00_dp
1136 : CASE (3) ! Final Error 3.9852674413864975E-006 Nfun: 84
1137 0 : alpha(1) = 0.250505193613E-01_dp; coef(1) = 0.249866933077E+00_dp
1138 0 : alpha(2) = 0.433715388861E-01_dp; coef(2) = 0.624281652229E+00_dp
1139 0 : alpha(3) = 0.785922725627E-01_dp; coef(3) = 0.224723740642E+00_dp
1140 : CASE (4) ! Final Error 9.6134466009978325E-007 Nfun: 102
1141 0 : alpha(1) = 0.197053704551E-01_dp; coef(1) = 0.587329016952E-01_dp
1142 0 : alpha(2) = 0.311703214507E-01_dp; coef(2) = 0.391556705376E+00_dp
1143 0 : alpha(3) = 0.498252109293E-01_dp; coef(3) = 0.495622127752E+00_dp
1144 0 : alpha(4) = 0.847225051968E-01_dp; coef(4) = 0.153759464550E+00_dp
1145 : CASE (5) ! Final Error 3.1387072496613655E-008 Nfun: 171
1146 0 : alpha(1) = 0.209637027387E-01_dp; coef(1) = 0.896162511950E-01_dp
1147 0 : alpha(2) = 0.335031104007E-01_dp; coef(2) = 0.451988472126E+00_dp
1148 0 : alpha(3) = 0.537855393028E-01_dp; coef(3) = 0.445684549220E+00_dp
1149 0 : alpha(4) = 0.904685841856E-01_dp; coef(4) = 0.112975621737E+00_dp
1150 0 : alpha(5) = 0.367009548127E+00_dp; coef(5) = -0.128702498903E-02_dp
1151 : CASE (6) ! Final Error 2.3379744806817371E-009 Nfun: 178
1152 0 : alpha(1) = 0.176131589633E-01_dp; coef(1) = 0.228801729726E-01_dp
1153 0 : alpha(2) = 0.265241759564E-01_dp; coef(2) = 0.219935173899E+00_dp
1154 0 : alpha(3) = 0.395682502275E-01_dp; coef(3) = 0.457742042442E+00_dp
1155 0 : alpha(4) = 0.603163601880E-01_dp; coef(4) = 0.322355672010E+00_dp
1156 0 : alpha(5) = 0.962509769419E-01_dp; coef(5) = 0.776110865189E-01_dp
1157 0 : alpha(6) = 0.340456560556E+00_dp; coef(6) = -0.149039074155E-02_dp
1158 : CASE DEFAULT
1159 0 : CPABORT("Illegal expansion")
1160 : END SELECT
1161 : CASE (35) ! 8i
1162 0 : SELECT CASE (n)
1163 : CASE (1) ! Final Error 3.6610861464450251E-002 Nfun: 28
1164 0 : alpha(1) = 0.497681342869E-01_dp; coef(1) = 0.100000000000E+01_dp
1165 : CASE (2) ! Final Error 1.2037998634699676E-003 Nfun: 54
1166 0 : alpha(1) = 0.362582580722E-01_dp; coef(1) = 0.625797636897E+00_dp
1167 0 : alpha(2) = 0.772789743491E-01_dp; coef(2) = 0.493087055190E+00_dp
1168 : CASE (3) ! Final Error 4.4138907268287397E-005 Nfun: 84
1169 0 : alpha(1) = 0.295565302253E-01_dp; coef(1) = 0.331648536218E+00_dp
1170 0 : alpha(2) = 0.543650167678E-01_dp; coef(2) = 0.626252487836E+00_dp
1171 0 : alpha(3) = 0.109385279185E+00_dp; coef(3) = 0.180132637952E+00_dp
1172 : CASE (4) ! Final Error 1.7565340795222539E-006 Nfun: 109
1173 0 : alpha(1) = 0.253506952420E-01_dp; coef(1) = 0.164411803656E+00_dp
1174 0 : alpha(2) = 0.430745189784E-01_dp; coef(2) = 0.550397809114E+00_dp
1175 0 : alpha(3) = 0.752046515091E-01_dp; coef(3) = 0.366301098603E+00_dp
1176 0 : alpha(4) = 0.146328151358E+00_dp; coef(4) = 0.601407102534E-01_dp
1177 : CASE (5) ! Final Error 7.0760998394092667E-008 Nfun: 135
1178 0 : alpha(1) = 0.223631558595E-01_dp; coef(1) = 0.782316855563E-01_dp
1179 0 : alpha(2) = 0.360324076062E-01_dp; coef(2) = 0.405608377951E+00_dp
1180 0 : alpha(3) = 0.582625147882E-01_dp; coef(3) = 0.463320173139E+00_dp
1181 0 : alpha(4) = 0.988379770544E-01_dp; coef(4) = 0.174224918486E+00_dp
1182 0 : alpha(5) = 0.186254974327E+00_dp; coef(5) = 0.204375851962E-01_dp
1183 : CASE (6) ! Final Error 2.5812996184981785E-009 Nfun: 154
1184 0 : alpha(1) = 0.200353504400E-01_dp; coef(1) = 0.353572119094E-01_dp
1185 0 : alpha(2) = 0.310058228263E-01_dp; coef(2) = 0.264986349092E+00_dp
1186 0 : alpha(3) = 0.475789622751E-01_dp; coef(3) = 0.459604400295E+00_dp
1187 0 : alpha(4) = 0.747945594816E-01_dp; coef(4) = 0.294520734067E+00_dp
1188 0 : alpha(5) = 0.123608348534E+00_dp; coef(5) = 0.795678135397E-01_dp
1189 0 : alpha(6) = 0.223837832433E+00_dp; coef(6) = 0.788911126553E-02_dp
1190 : CASE DEFAULT
1191 0 : CPABORT("Illegal expansion")
1192 : END SELECT
1193 : CASE (36) ! 8k
1194 0 : SELECT CASE (n)
1195 : CASE (1) ! Final Error 5.4828647243574391E-002 Nfun: 31
1196 0 : alpha(1) = 0.565862527158E-01_dp; coef(1) = 0.100000000000E+01_dp
1197 : CASE (2) ! Final Error 2.6585281818616302E-003 Nfun: 58
1198 0 : alpha(1) = 0.409621413283E-01_dp; coef(1) = 0.643341930303E+00_dp
1199 0 : alpha(2) = 0.905906355164E-01_dp; coef(2) = 0.500650234401E+00_dp
1200 : CASE (3) ! Final Error 1.4615614325030890E-004 Nfun: 79
1201 0 : alpha(1) = 0.333174897003E-01_dp; coef(1) = 0.362014818487E+00_dp
1202 0 : alpha(2) = 0.632575769483E-01_dp; coef(2) = 0.622856136324E+00_dp
1203 0 : alpha(3) = 0.133092573863E+00_dp; coef(3) = 0.187857098375E+00_dp
1204 : CASE (4) ! Final Error 9.1612612234115431E-006 Nfun: 101
1205 0 : alpha(1) = 0.286033556743E-01_dp; coef(1) = 0.194503877864E+00_dp
1206 0 : alpha(2) = 0.500739500873E-01_dp; coef(2) = 0.565008796654E+00_dp
1207 0 : alpha(3) = 0.906868771708E-01_dp; coef(3) = 0.356072167996E+00_dp
1208 0 : alpha(4) = 0.187014077875E+00_dp; coef(4) = 0.631401639920E-01_dp
1209 : CASE (5) ! Final Error 6.4892919304782026E-007 Nfun: 129
1210 0 : alpha(1) = 0.253426041474E-01_dp; coef(1) = 0.103171589032E+00_dp
1211 0 : alpha(2) = 0.420679943919E-01_dp; coef(2) = 0.444461963838E+00_dp
1212 0 : alpha(3) = 0.704104195426E-01_dp; coef(3) = 0.450607242799E+00_dp
1213 0 : alpha(4) = 0.125087213598E+00_dp; coef(4) = 0.161443127250E+00_dp
1214 0 : alpha(5) = 0.255297703738E+00_dp; coef(5) = 0.203951623802E-01_dp
1215 : CASE (6) ! Final Error 5.1319749783118596E-008 Nfun: 167
1216 0 : alpha(1) = 0.229249907854E-01_dp; coef(1) = 0.547921797808E-01_dp
1217 0 : alpha(2) = 0.366159972070E-01_dp; coef(2) = 0.324017832257E+00_dp
1218 0 : alpha(3) = 0.582200416027E-01_dp; coef(3) = 0.468159342618E+00_dp
1219 0 : alpha(4) = 0.956611769853E-01_dp; coef(4) = 0.261784418007E+00_dp
1220 0 : alpha(5) = 0.168269053498E+00_dp; coef(5) = 0.651261040640E-01_dp
1221 0 : alpha(6) = 0.341392440896E+00_dp; coef(6) = 0.652958748406E-02_dp
1222 : CASE DEFAULT
1223 0 : CPABORT("Illegal expansion")
1224 : END SELECT
1225 : CASE (37) ! 9s
1226 0 : SELECT CASE (n)
1227 : CASE (1) ! Final Error 0.18725174229991048 Nfun: 27
1228 0 : alpha(1) = 0.769349917851E-02_dp; coef(1) = 0.100000000000E+01_dp
1229 : CASE (2) ! Final Error 5.4066663410257121E-003 Nfun: 5000
1230 0 : alpha(1) = 0.189568723452E-01_dp; coef(1) = 0.112741628118E+02_dp
1231 0 : alpha(2) = 0.211773359716E-01_dp; coef(2) = -0.106026364073E+02_dp
1232 : CASE (3) ! Final Error 5.7494822049974914E-006 Nfun: 5000
1233 0 : alpha(1) = 0.156765999362E-01_dp; coef(1) = 0.217812259686E+01_dp
1234 0 : alpha(2) = 0.452235262760E-01_dp; coef(2) = -0.775211723209E+01_dp
1235 0 : alpha(3) = 0.501515376761E-01_dp; coef(3) = 0.627207417672E+01_dp
1236 : CASE (4) ! Final Error 5.3790535541331508E-006 Nfun: 138
1237 0 : alpha(1) = 0.456007702938E-02_dp; coef(1) = 0.273356915234E-02_dp
1238 0 : alpha(2) = 0.157626429250E-01_dp; coef(2) = 0.219752378246E+01_dp
1239 0 : alpha(3) = 0.439949979621E-01_dp; coef(3) = -0.553333931604E+01_dp
1240 0 : alpha(4) = 0.513218824088E-01_dp; coef(4) = 0.403137965730E+01_dp
1241 : CASE (5) ! Final Error 1.1499532903691545E-007 Nfun: 5000
1242 0 : alpha(1) = 0.145726040912E-01_dp; coef(1) = 0.144719347822E+01_dp
1243 0 : alpha(2) = 0.254992984481E-01_dp; coef(2) = 0.798252833958E+01_dp
1244 0 : alpha(3) = 0.281130573683E-01_dp; coef(3) = -0.912426799710E+01_dp
1245 0 : alpha(4) = 0.864957612715E-01_dp; coef(4) = 0.480287729936E+00_dp
1246 0 : alpha(5) = 0.139046050110E+00_dp; coef(5) = -0.883281830654E-01_dp
1247 : CASE (6) ! Final Error 5.3905318209146458E-008 Nfun: 5000
1248 0 : alpha(1) = 0.145726040912E-01_dp; coef(1) = 0.144495498475E+01_dp
1249 0 : alpha(2) = 0.254992984481E-01_dp; coef(2) = 0.801876742489E+01_dp
1250 0 : alpha(3) = 0.281130573683E-01_dp; coef(3) = -0.916277091786E+01_dp
1251 0 : alpha(4) = 0.854957612715E-01_dp; coef(4) = 0.483824740433E+00_dp
1252 0 : alpha(5) = 0.133046050110E+00_dp; coef(5) = -0.854674447612E-01_dp
1253 0 : alpha(6) = 0.338046050110E+00_dp; coef(6) = -0.199498664467E-02_dp
1254 : CASE DEFAULT
1255 0 : CPABORT("Illegal expansion")
1256 : END SELECT
1257 : CASE (38) ! 9p
1258 0 : SELECT CASE (n)
1259 : CASE (1) ! Final Error 6.6567424680416876E-002 Nfun: 27
1260 0 : alpha(1) = 0.129537478531E-01_dp; coef(1) = 0.100000000000E+01_dp
1261 : CASE (2) ! Final Error 5.7874505043797875E-004 Nfun: 59
1262 0 : alpha(1) = 0.192770197819E-01_dp; coef(1) = 0.175728933087E+01_dp
1263 0 : alpha(2) = 0.352243700375E-01_dp; coef(2) = -0.954147437837E+00_dp
1264 : CASE (3) ! Final Error 1.0318638513195921E-005 Nfun: 81
1265 0 : alpha(1) = 0.178673196113E-01_dp; coef(1) = 0.139343045871E+01_dp
1266 0 : alpha(2) = 0.527645536481E-01_dp; coef(2) = -0.991286262027E+00_dp
1267 0 : alpha(3) = 0.738583901124E-01_dp; coef(3) = 0.413150119926E+00_dp
1268 : CASE (4) ! Final Error 4.8420569775942113E-008 Nfun: 110
1269 0 : alpha(1) = 0.136234961681E-01_dp; coef(1) = 0.242173247853E+00_dp
1270 0 : alpha(2) = 0.200005112607E-01_dp; coef(2) = 0.132452980029E+01_dp
1271 0 : alpha(3) = 0.427996048691E-01_dp; coef(3) = -0.849105094814E+00_dp
1272 0 : alpha(4) = 0.996245179618E-01_dp; coef(4) = 0.990043491665E-01_dp
1273 : CASE (5) ! Final Error 4.2303451852632179E-009 Nfun: 155
1274 0 : alpha(1) = 0.140237921640E-01_dp; coef(1) = 0.300921484527E+00_dp
1275 0 : alpha(2) = 0.203711629454E-01_dp; coef(2) = 0.129026895819E+01_dp
1276 0 : alpha(3) = 0.421355382404E-01_dp; coef(3) = -0.864335601306E+00_dp
1277 0 : alpha(4) = 0.103998185340E+00_dp; coef(4) = 0.905676566706E-01_dp
1278 0 : alpha(5) = 0.296838493801E+00_dp; coef(5) = -0.921081091161E-03_dp
1279 : CASE (6) ! Final Error 7.8384676527321062E-010 Nfun: 209
1280 0 : alpha(1) = 0.137404800610E-01_dp; coef(1) = 0.256851266967E+00_dp
1281 0 : alpha(2) = 0.200717709084E-01_dp; coef(2) = 0.131145904095E+01_dp
1282 0 : alpha(3) = 0.430180557283E-01_dp; coef(3) = -0.867675787268E+00_dp
1283 0 : alpha(4) = 0.725488993672E-01_dp; coef(4) = 0.503842041627E-01_dp
1284 0 : alpha(5) = 0.110730465365E+00_dp; coef(5) = 0.665510025893E-01_dp
1285 0 : alpha(6) = 0.312803980774E+00_dp; coef(6) = -0.107397924374E-02_dp
1286 : CASE DEFAULT
1287 0 : CPABORT("Illegal expansion")
1288 : END SELECT
1289 : CASE (39) ! 9d
1290 0 : SELECT CASE (n)
1291 : CASE (1) ! Final Error 1.9446423107279065E-002 Nfun: 29
1292 0 : alpha(1) = 0.182773605707E-01_dp; coef(1) = 0.100000000000E+01_dp
1293 : CASE (2) ! Final Error 1.7827653387159081E-004 Nfun: 60
1294 0 : alpha(1) = 0.208881247198E-01_dp; coef(1) = 0.114298696342E+01_dp
1295 0 : alpha(2) = 0.580996673168E-01_dp; coef(2) = -0.250564466849E+00_dp
1296 : CASE (3) ! Final Error 1.8158482513186414E-005 Nfun: 5000
1297 0 : alpha(1) = 0.187491333354E-01_dp; coef(1) = 0.799553035255E+00_dp
1298 0 : alpha(2) = 0.366808493267E-01_dp; coef(2) = 0.203831143189E+01_dp
1299 0 : alpha(3) = 0.412043605803E-01_dp; coef(3) = -0.194036514672E+01_dp
1300 : CASE (4) ! Final Error 8.8698213218663113E-009 Nfun: 112
1301 0 : alpha(1) = 0.156726689461E-01_dp; coef(1) = 0.268520959785E+00_dp
1302 0 : alpha(2) = 0.236479821892E-01_dp; coef(2) = 0.947834833544E+00_dp
1303 0 : alpha(3) = 0.548782222741E-01_dp; coef(3) = -0.328498127965E+00_dp
1304 0 : alpha(4) = 0.160594602797E+00_dp; coef(4) = 0.123971623459E-01_dp
1305 : CASE (5) ! Final Error 1.5829011434931317E-009 Nfun: 131
1306 0 : alpha(1) = 0.888001143555E-02_dp; coef(1) = 0.206436961917E-02_dp
1307 0 : alpha(2) = 0.161772821811E-01_dp; coef(2) = 0.308460403880E+00_dp
1308 0 : alpha(3) = 0.239306136185E-01_dp; coef(3) = 0.910003374354E+00_dp
1309 0 : alpha(4) = 0.546247989358E-01_dp; coef(4) = -0.332279687588E+00_dp
1310 0 : alpha(5) = 0.162395488787E+00_dp; coef(5) = 0.120409054874E-01_dp
1311 : CASE (6) ! Final Error 1.5047603163509393E-009 Nfun: 197
1312 0 : alpha(1) = 0.870001973021E-02_dp; coef(1) = 0.179237366982E-02_dp
1313 0 : alpha(2) = 0.161294730998E-01_dp; coef(2) = 0.304341866264E+00_dp
1314 0 : alpha(3) = 0.238974541743E-01_dp; coef(3) = 0.913709005226E+00_dp
1315 0 : alpha(4) = 0.546831680853E-01_dp; coef(4) = -0.331785002293E+00_dp
1316 0 : alpha(5) = 0.159962733647E+00_dp; coef(5) = 0.120202087140E-01_dp
1317 0 : alpha(6) = 0.251779315045E+00_dp; coef(6) = 0.214722618963E-03_dp
1318 : CASE DEFAULT
1319 0 : CPABORT("Illegal expansion")
1320 : END SELECT
1321 : CASE (40) ! 9f
1322 0 : SELECT CASE (n)
1323 : CASE (1) ! Final Error 3.5866854898298772E-003 Nfun: 30
1324 0 : alpha(1) = 0.236451214456E-01_dp; coef(1) = 0.100000000000E+01_dp
1325 : CASE (2) ! Final Error 5.7884916918893303E-004 Nfun: 56
1326 0 : alpha(1) = 0.243065324818E-01_dp; coef(1) = 0.102101453863E+01_dp
1327 0 : alpha(2) = 0.101415832337E+00_dp; coef(2) = -0.663738453708E-01_dp
1328 : CASE (3) ! Final Error 5.0962693998179986E-007 Nfun: 82
1329 0 : alpha(1) = 0.181242665872E-01_dp; coef(1) = 0.318224500768E+00_dp
1330 0 : alpha(2) = 0.285618680076E-01_dp; coef(2) = 0.765670747468E+00_dp
1331 0 : alpha(3) = 0.749787638189E-01_dp; coef(3) = -0.118327893498E+00_dp
1332 : CASE (4) ! Final Error 3.6966872118959770E-007 Nfun: 5000
1333 0 : alpha(1) = 0.179393655766E-01_dp; coef(1) = 0.299539260646E+00_dp
1334 0 : alpha(2) = 0.282203526140E-01_dp; coef(2) = 0.775036811710E+00_dp
1335 0 : alpha(3) = 0.627633883519E-01_dp; coef(3) = 0.110203506108E+00_dp
1336 0 : alpha(4) = 0.701650018606E-01_dp; coef(4) = -0.219105186325E+00_dp
1337 : CASE (5) ! Final Error 2.8785715144863389E-008 Nfun: 208
1338 0 : alpha(1) = 0.112002739189E-01_dp; coef(1) = 0.783936105666E-02_dp
1339 0 : alpha(2) = 0.189972972767E-01_dp; coef(2) = 0.362667355976E+00_dp
1340 0 : alpha(3) = 0.290110276248E-01_dp; coef(3) = 0.714799764594E+00_dp
1341 0 : alpha(4) = 0.750038510116E-01_dp; coef(4) = -0.119828548388E+00_dp
1342 0 : alpha(5) = 0.364343520874E+00_dp; coef(5) = 0.632058496643E-03_dp
1343 : CASE (6) ! Final Error 2.7361617638277380E-008 Nfun: 5000
1344 0 : alpha(1) = 0.747151007821E-02_dp; coef(1) = -0.508489048126E-02_dp
1345 0 : alpha(2) = 0.834341100476E-02_dp; coef(2) = 0.919759286561E-02_dp
1346 0 : alpha(3) = 0.188388804576E-01_dp; coef(3) = 0.359513481163E+00_dp
1347 0 : alpha(4) = 0.289596243605E-01_dp; coef(4) = 0.721522410714E+00_dp
1348 0 : alpha(5) = 0.750304334833E-01_dp; coef(5) = -0.119686679826E+00_dp
1349 0 : alpha(6) = 0.363852001112E+00_dp; coef(6) = 0.634389826897E-03_dp
1350 : CASE DEFAULT
1351 0 : CPABORT("Illegal expansion")
1352 : END SELECT
1353 : CASE (41) ! 9g
1354 0 : SELECT CASE (n)
1355 : CASE (1) ! Final Error 3.2311360041026305E-003 Nfun: 28
1356 0 : alpha(1) = 0.290448768988E-01_dp; coef(1) = 0.100000000000E+01_dp
1357 : CASE (2) ! Final Error 4.0309036684949007E-004 Nfun: 58
1358 0 : alpha(1) = 0.184555219268E-01_dp; coef(1) = 0.224411382739E+00_dp
1359 0 : alpha(2) = 0.323633375144E-01_dp; coef(2) = 0.810028895258E+00_dp
1360 : CASE (3) ! Final Error 3.7960899590405717E-006 Nfun: 85
1361 0 : alpha(1) = 0.211235010765E-01_dp; coef(1) = 0.390218406191E+00_dp
1362 0 : alpha(2) = 0.353165989409E-01_dp; coef(2) = 0.659927541501E+00_dp
1363 0 : alpha(3) = 0.118631219816E+00_dp; coef(3) = -0.300201339669E-01_dp
1364 : CASE (4) ! Final Error 1.0936530059346694E-007 Nfun: 115
1365 0 : alpha(1) = 0.159350384599E-01_dp; coef(1) = 0.627750934903E-01_dp
1366 0 : alpha(2) = 0.244502567718E-01_dp; coef(2) = 0.492305494010E+00_dp
1367 0 : alpha(3) = 0.377511852441E-01_dp; coef(3) = 0.501102410850E+00_dp
1368 0 : alpha(4) = 0.110460493417E+00_dp; coef(4) = -0.352406429893E-01_dp
1369 : CASE (5) ! Final Error 1.0707199282755653E-007 Nfun: 5000
1370 0 : alpha(1) = 0.128314035490E-01_dp; coef(1) = -0.246201451659E-01_dp
1371 0 : alpha(2) = 0.141795688822E-01_dp; coef(2) = 0.707044826121E-01_dp
1372 0 : alpha(3) = 0.241033889047E-01_dp; coef(3) = 0.498271439917E+00_dp
1373 0 : alpha(4) = 0.376170364805E-01_dp; coef(4) = 0.511689743479E+00_dp
1374 0 : alpha(5) = 0.110592915547E+00_dp; coef(5) = -0.351198855531E-01_dp
1375 : CASE (6) ! Final Error 4.3275267813669416E-009 Nfun: 174
1376 0 : alpha(1) = 0.169601718642E-01_dp; coef(1) = 0.992638967613E-01_dp
1377 0 : alpha(2) = 0.258271395411E-01_dp; coef(2) = 0.532122570919E+00_dp
1378 0 : alpha(3) = 0.392098811035E-01_dp; coef(3) = 0.429410181833E+00_dp
1379 0 : alpha(4) = 0.100427254790E+00_dp; coef(4) = -0.364948541963E-01_dp
1380 0 : alpha(5) = 0.170035053051E+00_dp; coef(5) = -0.351897199401E-02_dp
1381 0 : alpha(6) = 0.793628524125E+00_dp; coef(6) = 0.366533419657E-04_dp
1382 : CASE DEFAULT
1383 0 : CPABORT("Illegal expansion")
1384 : END SELECT
1385 : CASE (42) ! 9h
1386 0 : SELECT CASE (n)
1387 : CASE (1) ! Final Error 1.1167176664406142E-002 Nfun: 28
1388 0 : alpha(1) = 0.344685478967E-01_dp; coef(1) = 0.100000000000E+01_dp
1389 : CASE (2) ! Final Error 6.8510386961317948E-005 Nfun: 58
1390 0 : alpha(1) = 0.251457484930E-01_dp; coef(1) = 0.503639183505E+00_dp
1391 0 : alpha(2) = 0.454325437047E-01_dp; coef(2) = 0.563469443918E+00_dp
1392 : CASE (3) ! Final Error 1.8408975835715324E-005 Nfun: 77
1393 0 : alpha(1) = 0.178507120540E-01_dp; coef(1) = 0.843155675708E-01_dp
1394 0 : alpha(2) = 0.290680331860E-01_dp; coef(2) = 0.562740517373E+00_dp
1395 0 : alpha(3) = 0.486416415762E-01_dp; coef(3) = 0.423883783920E+00_dp
1396 : CASE (4) ! Final Error 2.1966773844361853E-007 Nfun: 114
1397 0 : alpha(1) = 0.200910816379E-01_dp; coef(1) = 0.170082883593E+00_dp
1398 0 : alpha(2) = 0.322821386101E-01_dp; coef(2) = 0.596685776818E+00_dp
1399 0 : alpha(3) = 0.526413846701E-01_dp; coef(3) = 0.307378666817E+00_dp
1400 0 : alpha(4) = 0.184393487575E+00_dp; coef(4) = -0.620858825903E-02_dp
1401 : CASE (5) ! Final Error 1.9557704344919102E-008 Nfun: 137
1402 0 : alpha(1) = 0.159683939401E-01_dp; coef(1) = 0.297824322771E-01_dp
1403 0 : alpha(2) = 0.239574844043E-01_dp; coef(2) = 0.293299673556E+00_dp
1404 0 : alpha(3) = 0.358631388520E-01_dp; coef(3) = 0.523064519812E+00_dp
1405 0 : alpha(4) = 0.554715180474E-01_dp; coef(4) = 0.229020307265E+00_dp
1406 0 : alpha(5) = 0.174061705184E+00_dp; coef(5) = -0.705759779206E-02_dp
1407 : CASE (6) ! Final Error 6.9780936584606934E-010 Nfun: 185
1408 0 : alpha(1) = 0.168559281324E-01_dp; coef(1) = 0.469638749404E-01_dp
1409 0 : alpha(2) = 0.253308929084E-01_dp; coef(2) = 0.346139318258E+00_dp
1410 0 : alpha(3) = 0.377673118695E-01_dp; coef(3) = 0.495506766374E+00_dp
1411 0 : alpha(4) = 0.575806728406E-01_dp; coef(4) = 0.187620357184E+00_dp
1412 0 : alpha(5) = 0.157214165657E+00_dp; coef(5) = -0.756380602750E-02_dp
1413 0 : alpha(6) = 0.306486717171E+00_dp; coef(6) = -0.623803960659E-03_dp
1414 : CASE DEFAULT
1415 0 : CPABORT("Illegal expansion")
1416 : END SELECT
1417 : CASE (43) ! 9i
1418 0 : SELECT CASE (n)
1419 : CASE (1) ! Final Error 2.3689235998586300E-002 Nfun: 31
1420 0 : alpha(1) = 0.399105521873E-01_dp; coef(1) = 0.100000000000E+01_dp
1421 : CASE (2) ! Final Error 4.5496038034653630E-004 Nfun: 55
1422 0 : alpha(1) = 0.295580534767E-01_dp; coef(1) = 0.593981286347E+00_dp
1423 0 : alpha(2) = 0.578889901228E-01_dp; coef(2) = 0.502956913677E+00_dp
1424 : CASE (3) ! Final Error 7.5259707621455618E-006 Nfun: 81
1425 0 : alpha(1) = 0.240893745271E-01_dp; coef(1) = 0.275981205704E+00_dp
1426 0 : alpha(2) = 0.413540745940E-01_dp; coef(2) = 0.630778447691E+00_dp
1427 0 : alpha(3) = 0.748077719001E-01_dp; coef(3) = 0.201877111693E+00_dp
1428 : CASE (4) ! Final Error 1.8243439536824724E-007 Nfun: 102
1429 0 : alpha(1) = 0.201737742424E-01_dp; coef(1) = 0.100332915029E+00_dp
1430 0 : alpha(2) = 0.319785024939E-01_dp; coef(2) = 0.475110362981E+00_dp
1431 0 : alpha(3) = 0.510717423884E-01_dp; coef(3) = 0.435843680539E+00_dp
1432 0 : alpha(4) = 0.862948975252E-01_dp; coef(4) = 0.986301945129E-01_dp
1433 : CASE (5) ! Final Error 8.8678959953014669E-008 Nfun: 132
1434 0 : alpha(1) = 0.203495702186E-01_dp; coef(1) = 0.106257112776E+00_dp
1435 0 : alpha(2) = 0.323489564862E-01_dp; coef(2) = 0.485290988284E+00_dp
1436 0 : alpha(3) = 0.518116731159E-01_dp; coef(3) = 0.426725886325E+00_dp
1437 0 : alpha(4) = 0.876363333272E-01_dp; coef(4) = 0.917412903436E-01_dp
1438 0 : alpha(5) = 0.429175342128E+00_dp; coef(5) = -0.343597906434E-03_dp
1439 : CASE (6) ! Final Error 9.8620400734716895E-010 Nfun: 163
1440 0 : alpha(1) = 0.176126553735E-01_dp; coef(1) = 0.356142042204E-01_dp
1441 0 : alpha(2) = 0.265571556005E-01_dp; coef(2) = 0.280406572602E+00_dp
1442 0 : alpha(3) = 0.396805511195E-01_dp; coef(3) = 0.475897619059E+00_dp
1443 0 : alpha(4) = 0.605783936792E-01_dp; coef(4) = 0.268114480926E+00_dp
1444 0 : alpha(5) = 0.966879484399E-01_dp; coef(5) = 0.502715249385E-01_dp
1445 0 : alpha(6) = 0.333829877064E+00_dp; coef(6) = -0.541522750889E-03_dp
1446 : CASE DEFAULT
1447 0 : CPABORT("Illegal expansion")
1448 : END SELECT
1449 : CASE (44) ! 9k
1450 0 : SELECT CASE (n)
1451 : CASE (1) ! Final Error 3.8748038276702701E-002 Nfun: 30
1452 0 : alpha(1) = 0.453669165294E-01_dp; coef(1) = 0.100000000000E+01_dp
1453 : CASE (2) ! Final Error 1.3169626327722561E-003 Nfun: 59
1454 0 : alpha(1) = 0.334895210540E-01_dp; coef(1) = 0.626118257597E+00_dp
1455 0 : alpha(2) = 0.689848257957E-01_dp; coef(2) = 0.496677586083E+00_dp
1456 : CASE (3) ! Final Error 4.9719370870615620E-005 Nfun: 75
1457 0 : alpha(1) = 0.275115841886E-01_dp; coef(1) = 0.332044884932E+00_dp
1458 0 : alpha(2) = 0.493456345687E-01_dp; coef(2) = 0.629036646023E+00_dp
1459 0 : alpha(3) = 0.962703662345E-01_dp; coef(3) = 0.181940947342E+00_dp
1460 : CASE (4) ! Final Error 2.0711119399496880E-006 Nfun: 111
1461 0 : alpha(1) = 0.237393163999E-01_dp; coef(1) = 0.165166797322E+00_dp
1462 0 : alpha(2) = 0.395303853809E-01_dp; coef(2) = 0.553244937874E+00_dp
1463 0 : alpha(3) = 0.674713019152E-01_dp; coef(3) = 0.368187388808E+00_dp
1464 0 : alpha(4) = 0.127917815446E+00_dp; coef(4) = 0.598886690687E-01_dp
1465 : CASE (5) ! Final Error 9.1917908173755336E-008 Nfun: 139
1466 0 : alpha(1) = 0.210689085098E-01_dp; coef(1) = 0.796318173638E-01_dp
1467 0 : alpha(2) = 0.333936927595E-01_dp; coef(2) = 0.410598293202E+00_dp
1468 0 : alpha(3) = 0.530601295988E-01_dp; coef(3) = 0.465704656520E+00_dp
1469 0 : alpha(4) = 0.883303285687E-01_dp; coef(4) = 0.171826635928E+00_dp
1470 0 : alpha(5) = 0.163567598229E+00_dp; coef(5) = 0.193597808880E-01_dp
1471 : CASE (6) ! Final Error 4.0797716316376409E-009 Nfun: 176
1472 0 : alpha(1) = 0.190356002937E-01_dp; coef(1) = 0.375463358934E-01_dp
1473 0 : alpha(2) = 0.290884695505E-01_dp; coef(2) = 0.275392194343E+00_dp
1474 0 : alpha(3) = 0.440695090027E-01_dp; coef(3) = 0.466380998480E+00_dp
1475 0 : alpha(4) = 0.683849761340E-01_dp; coef(4) = 0.288141727085E+00_dp
1476 0 : alpha(5) = 0.111687327365E+00_dp; coef(5) = 0.732462424004E-01_dp
1477 0 : alpha(6) = 0.201494488599E+00_dp; coef(6) = 0.653481769685E-02_dp
1478 : CASE DEFAULT
1479 0 : CPABORT("Illegal expansion")
1480 : END SELECT
1481 : CASE (45) ! 9l
1482 0 : SELECT CASE (n)
1483 : CASE (1) ! Final Error 5.5152499658008169E-002 Nfun: 28
1484 0 : alpha(1) = 0.508347257404E-01_dp; coef(1) = 0.100000000000E+01_dp
1485 : CASE (2) ! Final Error 2.6242963416316378E-003 Nfun: 54
1486 0 : alpha(1) = 0.373073954899E-01_dp; coef(1) = 0.640672393832E+00_dp
1487 0 : alpha(2) = 0.791555644687E-01_dp; coef(2) = 0.504374727065E+00_dp
1488 : CASE (3) ! Final Error 1.3939440085208865E-004 Nfun: 81
1489 0 : alpha(1) = 0.305676686410E-01_dp; coef(1) = 0.357021646712E+00_dp
1490 0 : alpha(2) = 0.562394587234E-01_dp; coef(2) = 0.626392745228E+00_dp
1491 0 : alpha(3) = 0.113548661618E+00_dp; coef(3) = 0.190385558084E+00_dp
1492 : CASE (4) ! Final Error 8.3561457435710196E-006 Nfun: 106
1493 0 : alpha(1) = 0.263657375595E-01_dp; coef(1) = 0.189266601464E+00_dp
1494 0 : alpha(2) = 0.449557719142E-01_dp; coef(2) = 0.564151044943E+00_dp
1495 0 : alpha(3) = 0.789244640149E-01_dp; coef(3) = 0.362243128056E+00_dp
1496 0 : alpha(4) = 0.156137313529E+00_dp; coef(4) = 0.640470311719E-01_dp
1497 : CASE (5) ! Final Error 5.6219615807151513E-007 Nfun: 136
1498 0 : alpha(1) = 0.234378071768E-01_dp; coef(1) = 0.988329543303E-01_dp
1499 0 : alpha(2) = 0.380161165399E-01_dp; coef(2) = 0.439153630304E+00_dp
1500 0 : alpha(3) = 0.619990036683E-01_dp; coef(3) = 0.456902356995E+00_dp
1501 0 : alpha(4) = 0.106750312347E+00_dp; coef(4) = 0.165539804648E+00_dp
1502 0 : alpha(5) = 0.208942371572E+00_dp; coef(5) = 0.205854955241E-01_dp
1503 : CASE (6) ! Final Error 4.2032549218973259E-008 Nfun: 179
1504 0 : alpha(1) = 0.212582275797E-01_dp; coef(1) = 0.516510174658E-01_dp
1505 0 : alpha(2) = 0.332541608621E-01_dp; coef(2) = 0.316300050287E+00_dp
1506 0 : alpha(3) = 0.516918539766E-01_dp; coef(3) = 0.471298406512E+00_dp
1507 0 : alpha(4) = 0.827531017668E-01_dp; coef(4) = 0.268695845454E+00_dp
1508 0 : alpha(5) = 0.141048916908E+00_dp; coef(5) = 0.668686375578E-01_dp
1509 0 : alpha(6) = 0.274360292511E+00_dp; coef(6) = 0.651128382051E-02_dp
1510 : CASE DEFAULT
1511 0 : CPABORT("Illegal expansion")
1512 : END SELECT
1513 :
1514 : CASE DEFAULT
1515 9842 : CPABORT("Illegal STO")
1516 : END SELECT
1517 : ! scaling: a = zeta^2 * a
1518 66204 : alpha(1:n) = zeta**2*alpha(1:n)
1519 :
1520 9842 : END SUBROUTINE get_sto_ng
1521 :
1522 : END MODULE sto_ng
1523 :
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