Lines Matching refs:ik
51 … ik = 1 is = 1 idiag = 1 dE(Ry) = 241.672685893641102 residual = 262.912948819295025
52 … ik = 1 is = 1 idiag = 2 dE(Ry) = 54.221786251301069 residual = 70.941237457337536
53 … ik = 1 is = 1 idiag = 3 dE(Ry) = 72.114378360957431 residual = 84.126704393236750
54 … ik = 1 is = 1 idiag = 4 dE(Ry) = 48.090267667210341 residual = 55.828648364641211
55 … ik = 1 is = 1 idiag = 5 dE(Ry) = 30.688674116583613 residual = 35.401469923045497
56 … ik = 1 is = 1 idiag = 6 dE(Ry) = 18.577491099916827 residual = 21.486041308507335
57 … ik = 1 is = 1 idiag = 7 dE(Ry) = 10.860909894906586 residual = 12.744515410263469
58 … ik = 1 is = 1 idiag = 8 dE(Ry) = 5.955077204423302 residual = 9.226202708146456
59 … ik = 1 is = 1 idiag = 9 dE(Ry) = 6.593591349499368 residual = 9.110452489327976
60 … ik = 1 is = 1 idiag = 10 dE(Ry) = 3.436710358743871 residual = 5.521951662912197
61 … ik = 1 is = 1 idiag = 11 dE(Ry) = 1.558192130430209 residual = 2.513103644959427
62 … ik = 1 is = 1 idiag = 12 dE(Ry) = 0.706156551226174 residual = 3.148300721083989
63 … ik = 1 is = 1 idiag = 13 dE(Ry) = 0.315393159907969 residual = 1.076932383107326
64 … ik = 1 is = 1 idiag = 14 dE(Ry) = 0.017246594489800 residual = 0.151094163474881
65 … ik = 1 is = 1 idiag = 15 dE(Ry) = 0.000292419814538 residual = 0.020370648838770
66 … ik = 1 is = 1 idiag = 16 dE(Ry) = 0.000005088183906 residual = 0.002268440496740
67 … ik = 1 is = 1 idiag = 17 dE(Ry) = 0.000000056752551 residual = 0.000217645424132
68 … ik = 1 is = 1 idiag = 18 dE(Ry) = 0.000000000495113 residual = 0.000016653386657
69 … ik = 1 is = 1 idiag = 19 dE(Ry) = 0.000000000002774 residual = 0.000001869200256
70 … ik = 1 is = 1 idiag = 20 dE(Ry) = 0.000000000005314 residual = 0.000023024656713
71 … ik = 1 is = 1 idiag = 21 dE(Ry) = 0.000000000737820 residual = 0.000227328329254
72 … ik = 1 is = 1 idiag = 22 dE(Ry) = 0.000000000746152 residual = 0.000027808608569
73 … ik = 1 is = 1 idiag = 23 dE(Ry) = 0.000000000007852 residual = 0.000002458754556
74 … ik = 1 is = 1 idiag = 24 dE(Ry) = 0.000000000000073 residual = 0.000000221518650
75 … ik = 1 is = 1 idiag = 25 dE(Ry) = 0.000000000000046 residual = 0.000000075727146
76 … ik = 2 is = 1 idiag = 1 dE(Ry) = 241.639262048550592 residual = 262.919086299416392
77 … ik = 2 is = 1 idiag = 2 dE(Ry) = 54.349218753460775 residual = 71.341674490372228
78 … ik = 2 is = 1 idiag = 3 dE(Ry) = 71.915398658692880 residual = 83.771713919285119
79 … ik = 2 is = 1 idiag = 4 dE(Ry) = 47.991489759590181 residual = 55.643889248787218
80 … ik = 2 is = 1 idiag = 5 dE(Ry) = 30.958403684909072 residual = 35.545244249644881
81 … ik = 2 is = 1 idiag = 6 dE(Ry) = 18.516127425583527 residual = 21.397795216296267
82 … ik = 2 is = 1 idiag = 7 dE(Ry) = 10.980734261688079 residual = 12.642460731135719
83 … ik = 2 is = 1 idiag = 8 dE(Ry) = 5.734212670291406 residual = 8.317273926876263
84 … ik = 2 is = 1 idiag = 9 dE(Ry) = 6.873971210492773 residual = 9.335032991465487
85 … ik = 2 is = 1 idiag = 10 dE(Ry) = 3.440076203006726 residual = 5.551444332277147
86 … ik = 2 is = 1 idiag = 11 dE(Ry) = 1.780155486295911 residual = 2.549667911783660
87 … ik = 2 is = 1 idiag = 12 dE(Ry) = 0.712766033607190 residual = 3.116184911343807
88 … ik = 2 is = 1 idiag = 13 dE(Ry) = 0.291044666675264 residual = 1.003258289549051
89 … ik = 2 is = 1 idiag = 14 dE(Ry) = 0.014828778089249 residual = 0.139864020405586
90 … ik = 2 is = 1 idiag = 15 dE(Ry) = 0.000273586771356 residual = 0.018380702895771
91 … ik = 2 is = 1 idiag = 16 dE(Ry) = 0.000004453589773 residual = 0.002045394175838
92 … ik = 2 is = 1 idiag = 17 dE(Ry) = 0.000000046311645 residual = 0.000193683559016
93 … ik = 2 is = 1 idiag = 18 dE(Ry) = 0.000000000406298 residual = 0.000015263723277
94 … ik = 2 is = 1 idiag = 19 dE(Ry) = 0.000000000002445 residual = 0.000001635131252
95 … ik = 2 is = 1 idiag = 20 dE(Ry) = 0.000000000003467 residual = 0.000018259322031
96 … ik = 2 is = 1 idiag = 21 dE(Ry) = 0.000000000276105 residual = 0.000132650159966
97 … ik = 2 is = 1 idiag = 22 dE(Ry) = 0.000000000311299 residual = 0.000023015232927
98 … ik = 2 is = 1 idiag = 23 dE(Ry) = 0.000000000005194 residual = 0.000002042229662
99 … ik = 2 is = 1 idiag = 24 dE(Ry) = 0.000000000000079 residual = 0.000000171488066
100 … ik = 2 is = 1 idiag = 25 dE(Ry) = 0.000000000000081 residual = 0.000000067212687
101 … ik = 3 is = 1 idiag = 1 dE(Ry) = 241.742190862826931 residual = 263.057807179585893
102 … ik = 3 is = 1 idiag = 2 dE(Ry) = 54.412344470823768 residual = 71.106958578446424
103 … ik = 3 is = 1 idiag = 3 dE(Ry) = 71.985330973006228 residual = 84.109964529353320
104 … ik = 3 is = 1 idiag = 4 dE(Ry) = 48.614472522044878 residual = 56.240236368510018
105 … ik = 3 is = 1 idiag = 5 dE(Ry) = 30.753182957258119 residual = 35.607558604321632
106 … ik = 3 is = 1 idiag = 6 dE(Ry) = 18.442041480533156 residual = 21.349088784875889
107 … ik = 3 is = 1 idiag = 7 dE(Ry) = 10.964606568920837 residual = 12.594473007416878
108 … ik = 3 is = 1 idiag = 8 dE(Ry) = 6.087645695738366 residual = 8.844648884082764
109 … ik = 3 is = 1 idiag = 9 dE(Ry) = 6.611459811180873 residual = 9.375687885290178
110 … ik = 3 is = 1 idiag = 10 dE(Ry) = 3.589371566422096 residual = 5.614931047561284
111 … ik = 3 is = 1 idiag = 11 dE(Ry) = 1.673122243555241 residual = 2.573022944285479
112 … ik = 3 is = 1 idiag = 12 dE(Ry) = 0.689939611617710 residual = 3.155343567823470
113 … ik = 3 is = 1 idiag = 13 dE(Ry) = 0.321918537789259 residual = 1.100908264531881
114 … ik = 3 is = 1 idiag = 14 dE(Ry) = 0.018609928636959 residual = 0.167734571827008
115 … ik = 3 is = 1 idiag = 15 dE(Ry) = 0.000373538491365 residual = 0.019680137796219
116 … ik = 3 is = 1 idiag = 16 dE(Ry) = 0.000004850885202 residual = 0.001994144290996
117 … ik = 3 is = 1 idiag = 17 dE(Ry) = 0.000000044525636 residual = 0.000184438089852
118 … ik = 3 is = 1 idiag = 18 dE(Ry) = 0.000000000366955 residual = 0.000015468733483
119 … ik = 3 is = 1 idiag = 19 dE(Ry) = 0.000000000002493 residual = 0.000001157919086
120 … ik = 3 is = 1 idiag = 20 dE(Ry) = 0.000000000000706 residual = 0.000007919491757
121 … ik = 3 is = 1 idiag = 21 dE(Ry) = 0.000000000137546 residual = 0.000131305047579
122 … ik = 3 is = 1 idiag = 22 dE(Ry) = 0.000000001893112 residual = 0.000072037818972
123 … ik = 3 is = 1 idiag = 23 dE(Ry) = 0.000000000049551 residual = 0.000006719832835
124 … ik = 3 is = 1 idiag = 24 dE(Ry) = 0.000000000000425 residual = 0.000000573790198
125 … ik = 3 is = 1 idiag = 25 dE(Ry) = 0.000000000000077 residual = 0.000000084324460
126 … ik = 4 is = 1 idiag = 1 dE(Ry) = 241.588934718196441 residual = 262.979207604020587
127 … ik = 4 is = 1 idiag = 2 dE(Ry) = 54.189820919069035 residual = 70.949598916009293
128 … ik = 4 is = 1 idiag = 3 dE(Ry) = 72.085574760507228 residual = 83.764583220253840
129 … ik = 4 is = 1 idiag = 4 dE(Ry) = 48.193276937497174 residual = 55.793355718402623
130 … ik = 4 is = 1 idiag = 5 dE(Ry) = 30.721466598784318 residual = 35.432445883781575
131 … ik = 4 is = 1 idiag = 6 dE(Ry) = 18.642250145525466 residual = 21.512322774783488
132 … ik = 4 is = 1 idiag = 7 dE(Ry) = 10.705638244324504 residual = 12.512198712019206
133 … ik = 4 is = 1 idiag = 8 dE(Ry) = 5.963340930748299 residual = 9.144245191667739
134 … ik = 4 is = 1 idiag = 9 dE(Ry) = 6.748102870663737 residual = 9.317382455487850
135 … ik = 4 is = 1 idiag = 10 dE(Ry) = 3.538261417630180 residual = 5.633892584803202
136 … ik = 4 is = 1 idiag = 11 dE(Ry) = 1.742389353675801 residual = 2.687276193568784
137 … ik = 4 is = 1 idiag = 12 dE(Ry) = 0.724689432344324 residual = 3.126256954391917
138 … ik = 4 is = 1 idiag = 13 dE(Ry) = 0.297234406715501 residual = 1.027216303073371
139 … ik = 4 is = 1 idiag = 14 dE(Ry) = 0.015734042813965 residual = 0.141407069405487
140 … ik = 4 is = 1 idiag = 15 dE(Ry) = 0.000254635890067 residual = 0.018189449384295
141 … ik = 4 is = 1 idiag = 16 dE(Ry) = 0.000004240082197 residual = 0.001925770683252
142 … ik = 4 is = 1 idiag = 17 dE(Ry) = 0.000000038774429 residual = 0.000184591878460
143 … ik = 4 is = 1 idiag = 18 dE(Ry) = 0.000000000353706 residual = 0.000014067355191
144 … ik = 4 is = 1 idiag = 19 dE(Ry) = 0.000000000001997 residual = 0.000001330283796
145 … ik = 4 is = 1 idiag = 20 dE(Ry) = 0.000000000001941 residual = 0.000013176226888
146 … ik = 4 is = 1 idiag = 21 dE(Ry) = 0.000000000173521 residual = 0.000106311778055
147 … ik = 4 is = 1 idiag = 22 dE(Ry) = 0.000000000268423 residual = 0.000021891198536
148 … ik = 4 is = 1 idiag = 23 dE(Ry) = 0.000000000004639 residual = 0.000001873383937
149 … ik = 4 is = 1 idiag = 24 dE(Ry) = 0.000000000000061 residual = 0.000000165963123
150 … ik = 4 is = 1 idiag = 25 dE(Ry) = 0.000000000000063 residual = 0.000000067790337
151 … ik = 5 is = 1 idiag = 1 dE(Ry) = 241.488715630426782 residual = 262.903356441046753
152 … ik = 5 is = 1 idiag = 2 dE(Ry) = 54.283198255971456 residual = 70.966211600597006
153 … ik = 5 is = 1 idiag = 3 dE(Ry) = 72.054654765007513 residual = 84.163988036793938
154 … ik = 5 is = 1 idiag = 4 dE(Ry) = 47.952132071193759 residual = 55.578140115215874
155 … ik = 5 is = 1 idiag = 5 dE(Ry) = 31.109773112936651 residual = 35.978909344433944
156 … ik = 5 is = 1 idiag = 6 dE(Ry) = 18.538607835308778 residual = 21.413676068500074
157 … ik = 5 is = 1 idiag = 7 dE(Ry) = 10.642354053964652 residual = 12.355426809798127
158 … ik = 5 is = 1 idiag = 8 dE(Ry) = 6.213806262468330 residual = 8.981270198285303
159 … ik = 5 is = 1 idiag = 9 dE(Ry) = 6.364415245734374 residual = 8.953112307496706
160 … ik = 5 is = 1 idiag = 10 dE(Ry) = 3.502175725923668 residual = 5.572437601081871
161 … ik = 5 is = 1 idiag = 11 dE(Ry) = 1.914831796431077 residual = 2.540228147949772
162 … ik = 5 is = 1 idiag = 12 dE(Ry) = 0.734633078751222 residual = 3.120619705474383
163 … ik = 5 is = 1 idiag = 13 dE(Ry) = 0.329648447322483 residual = 1.049487863388926
164 … ik = 5 is = 1 idiag = 14 dE(Ry) = 0.016229142818440 residual = 0.148457199178008
165 … ik = 5 is = 1 idiag = 15 dE(Ry) = 0.000288631648082 residual = 0.019958201233798
166 … ik = 5 is = 1 idiag = 16 dE(Ry) = 0.000005172341285 residual = 0.002331573594964
167 … ik = 5 is = 1 idiag = 17 dE(Ry) = 0.000000060985910 residual = 0.000203562317999
168 … ik = 5 is = 1 idiag = 18 dE(Ry) = 0.000000000446481 residual = 0.000015355885579
169 … ik = 5 is = 1 idiag = 19 dE(Ry) = 0.000000000002366 residual = 0.000002094874687
170 … ik = 5 is = 1 idiag = 20 dE(Ry) = 0.000000000006506 residual = 0.000024946880533
171 … ik = 5 is = 1 idiag = 21 dE(Ry) = 0.000000000492214 residual = 0.000160552905642
172 … ik = 5 is = 1 idiag = 22 dE(Ry) = 0.000000000401755 residual = 0.000022601666357
173 … ik = 5 is = 1 idiag = 23 dE(Ry) = 0.000000000004845 residual = 0.000001892557521
174 … ik = 5 is = 1 idiag = 24 dE(Ry) = 0.000000000000065 residual = 0.000000172427887
175 … ik = 5 is = 1 idiag = 25 dE(Ry) = 0.000000000000050 residual = 0.000000082758896
176 … ik = 6 is = 1 idiag = 1 dE(Ry) = 241.863419977970011 residual = 263.133375583794873
177 … ik = 6 is = 1 idiag = 2 dE(Ry) = 54.395895351849560 residual = 71.187003993544621
178 … ik = 6 is = 1 idiag = 3 dE(Ry) = 71.948621403520036 residual = 83.909588920697217
179 … ik = 6 is = 1 idiag = 4 dE(Ry) = 48.177005225834662 residual = 55.771216452958335
180 … ik = 6 is = 1 idiag = 5 dE(Ry) = 30.689884448231140 residual = 35.551151587354155
181 … ik = 6 is = 1 idiag = 6 dE(Ry) = 18.507942989949544 residual = 21.387512634668902
182 … ik = 6 is = 1 idiag = 7 dE(Ry) = 10.669623351876666 residual = 12.373701092405369
183 … ik = 6 is = 1 idiag = 8 dE(Ry) = 5.769776835555882 residual = 8.963938857638558
184 … ik = 6 is = 1 idiag = 9 dE(Ry) = 6.941272501019658 residual = 9.463965501061033
185 … ik = 6 is = 1 idiag = 10 dE(Ry) = 3.423877337757069 residual = 5.569419540418012
186 … ik = 6 is = 1 idiag = 11 dE(Ry) = 1.966269438865404 residual = 2.567243074321409
187 … ik = 6 is = 1 idiag = 12 dE(Ry) = 0.738745224580677 residual = 3.085948265293099
188 … ik = 6 is = 1 idiag = 13 dE(Ry) = 0.307473700128002 residual = 1.012012300382983
189 … ik = 6 is = 1 idiag = 14 dE(Ry) = 0.015215502612637 residual = 0.145139912160618
190 … ik = 6 is = 1 idiag = 15 dE(Ry) = 0.000276336483253 residual = 0.017811634192812
191 … ik = 6 is = 1 idiag = 16 dE(Ry) = 0.000003973733925 residual = 0.001874255650204
192 … ik = 6 is = 1 idiag = 17 dE(Ry) = 0.000000036034169 residual = 0.000166473815174
193 … ik = 6 is = 1 idiag = 18 dE(Ry) = 0.000000000293839 residual = 0.000013276746229
194 … ik = 6 is = 1 idiag = 19 dE(Ry) = 0.000000000001776 residual = 0.000001974472288
195 … ik = 6 is = 1 idiag = 20 dE(Ry) = 0.000000000006499 residual = 0.000025401661513
196 … ik = 6 is = 1 idiag = 21 dE(Ry) = 0.000000000635545 residual = 0.000215904414209
197 … ik = 6 is = 1 idiag = 22 dE(Ry) = 0.000000000807487 residual = 0.000033118900574
198 … ik = 6 is = 1 idiag = 23 dE(Ry) = 0.000000000010943 residual = 0.000002909844970
199 … ik = 6 is = 1 idiag = 24 dE(Ry) = 0.000000000000119 residual = 0.000000239718681
200 … ik = 6 is = 1 idiag = 25 dE(Ry) = 0.000000000000059 residual = 0.000000061767310
201 … ik = 7 is = 1 idiag = 1 dE(Ry) = 241.677544786741379 residual = 262.908643517140263
202 … ik = 7 is = 1 idiag = 2 dE(Ry) = 54.150764589671894 residual = 70.893334336209421
203 … ik = 7 is = 1 idiag = 3 dE(Ry) = 71.742886515479483 residual = 83.593870434173638
204 … ik = 7 is = 1 idiag = 4 dE(Ry) = 47.838377923208270 residual = 55.547668484329130
205 … ik = 7 is = 1 idiag = 5 dE(Ry) = 30.805888900298896 residual = 35.565645869796178
206 … ik = 7 is = 1 idiag = 6 dE(Ry) = 19.088420703461423 residual = 22.060452197682068
207 … ik = 7 is = 1 idiag = 7 dE(Ry) = 10.674950827619350 residual = 12.430944281696677
208 … ik = 7 is = 1 idiag = 8 dE(Ry) = 5.700320384382855 residual = 8.297628577722623
209 … ik = 7 is = 1 idiag = 9 dE(Ry) = 6.502424212430386 residual = 9.140582278869966
210 … ik = 7 is = 1 idiag = 10 dE(Ry) = 3.518313785927417 residual = 5.583800107490750
211 … ik = 7 is = 1 idiag = 11 dE(Ry) = 1.904582246547893 residual = 2.578730520156636
212 … ik = 7 is = 1 idiag = 12 dE(Ry) = 0.717031370188595 residual = 3.443771256149999
213 … ik = 7 is = 1 idiag = 13 dE(Ry) = 0.312637816691109 residual = 1.089290411938887
214 … ik = 7 is = 1 idiag = 14 dE(Ry) = 0.018601307689657 residual = 0.161568238128674
215 … ik = 7 is = 1 idiag = 15 dE(Ry) = 0.000317460642992 residual = 0.020519778561604
216 … ik = 7 is = 1 idiag = 16 dE(Ry) = 0.000005640821803 residual = 0.002249659625459
217 … ik = 7 is = 1 idiag = 17 dE(Ry) = 0.000000051478838 residual = 0.000233746623720
218 … ik = 7 is = 1 idiag = 18 dE(Ry) = 0.000000000591019 residual = 0.000019041158509
219 … ik = 7 is = 1 idiag = 19 dE(Ry) = 0.000000000003661 residual = 0.000002988275304
220 … ik = 7 is = 1 idiag = 20 dE(Ry) = 0.000000000013411 residual = 0.000035903490626
221 … ik = 7 is = 1 idiag = 21 dE(Ry) = 0.000000000467105 residual = 0.000113217748127
222 … ik = 7 is = 1 idiag = 22 dE(Ry) = 0.000000000156604 residual = 0.000012650335584
223 … ik = 7 is = 1 idiag = 23 dE(Ry) = 0.000000000001659 residual = 0.000001138921588
224 … ik = 7 is = 1 idiag = 24 dE(Ry) = 0.000000000000068 residual = 0.000000101835779
225 … ik = 7 is = 1 idiag = 25 dE(Ry) = 0.000000000000054 residual = 0.000000094869876
226 … ik = 8 is = 1 idiag = 1 dE(Ry) = 242.177571165903771 residual = 263.427480320579946
227 … ik = 8 is = 1 idiag = 2 dE(Ry) = 54.164837872502915 residual = 70.938558238612003
228 … ik = 8 is = 1 idiag = 3 dE(Ry) = 71.824676803049670 residual = 83.776962441650340
229 … ik = 8 is = 1 idiag = 4 dE(Ry) = 48.473151336457619 residual = 56.052698839353738
230 … ik = 8 is = 1 idiag = 5 dE(Ry) = 30.784845752316699 residual = 35.532950382665305
231 … ik = 8 is = 1 idiag = 6 dE(Ry) = 18.665459864496118 residual = 21.546564744591944
232 … ik = 8 is = 1 idiag = 7 dE(Ry) = 10.936609746627321 residual = 12.735025596201687
233 … ik = 8 is = 1 idiag = 8 dE(Ry) = 6.408160510876931 residual = 9.067985424178641
234 … ik = 8 is = 1 idiag = 9 dE(Ry) = 6.453859147028162 residual = 9.001045781116773
235 … ik = 8 is = 1 idiag = 10 dE(Ry) = 3.556170011218728 residual = 5.566322047226757
236 … ik = 8 is = 1 idiag = 11 dE(Ry) = 1.949299156281379 residual = 2.492795936400244
237 … ik = 8 is = 1 idiag = 12 dE(Ry) = 0.715493655498833 residual = 3.208611695009315
238 … ik = 8 is = 1 idiag = 13 dE(Ry) = 0.297730531407266 residual = 1.142125418901078
239 … ik = 8 is = 1 idiag = 14 dE(Ry) = 0.021635365124571 residual = 0.191243477639428
240 … ik = 8 is = 1 idiag = 15 dE(Ry) = 0.000500820427480 residual = 0.023290728103741
241 … ik = 8 is = 1 idiag = 16 dE(Ry) = 0.000007003881053 residual = 0.002458759878248
242 … ik = 8 is = 1 idiag = 17 dE(Ry) = 0.000000066948039 residual = 0.000226630908430
243 … ik = 8 is = 1 idiag = 18 dE(Ry) = 0.000000000559888 residual = 0.000018338344260
244 … ik = 8 is = 1 idiag = 19 dE(Ry) = 0.000000000003530 residual = 0.000003352749468
245 … ik = 8 is = 1 idiag = 20 dE(Ry) = 0.000000000022216 residual = 0.000044515628817
246 … ik = 8 is = 1 idiag = 21 dE(Ry) = 0.000000000754969 residual = 0.000113660827764
247 … ik = 8 is = 1 idiag = 22 dE(Ry) = 0.000000000148070 residual = 0.000011753076444
248 … ik = 8 is = 1 idiag = 23 dE(Ry) = 0.000000000001318 residual = 0.000001076374843
249 … ik = 8 is = 1 idiag = 24 dE(Ry) = 0.000000000000066 residual = 0.000000097986832
250 … ik = 9 is = 1 idiag = 1 dE(Ry) = 241.743461184969362 residual = 262.922860382357158
251 … ik = 9 is = 1 idiag = 2 dE(Ry) = 54.452732877691716 residual = 71.147408893765316
252 … ik = 9 is = 1 idiag = 3 dE(Ry) = 71.711357885113529 residual = 83.596068366040384
253 … ik = 9 is = 1 idiag = 4 dE(Ry) = 48.304920011000519 residual = 56.022911381497593
254 … ik = 9 is = 1 idiag = 5 dE(Ry) = 30.929864951421379 residual = 35.683567583929808
255 … ik = 9 is = 1 idiag = 6 dE(Ry) = 18.576764993260461 residual = 21.538529019293971
256 … ik = 9 is = 1 idiag = 7 dE(Ry) = 10.765466924404604 residual = 12.448863918163978
257 … ik = 9 is = 1 idiag = 8 dE(Ry) = 6.168075505753013 residual = 8.749457296258226
258 … ik = 9 is = 1 idiag = 9 dE(Ry) = 6.480025143769621 residual = 9.217491382252362
259 … ik = 9 is = 1 idiag = 10 dE(Ry) = 3.451047196203726 residual = 5.553485268418587
260 … ik = 9 is = 1 idiag = 11 dE(Ry) = 1.763093271121664 residual = 2.522798001259729
261 … ik = 9 is = 1 idiag = 12 dE(Ry) = 0.722053472934984 residual = 3.498907521491918
262 … ik = 9 is = 1 idiag = 13 dE(Ry) = 0.306203597306990 residual = 1.076606730264595
263 … ik = 9 is = 1 idiag = 14 dE(Ry) = 0.017453652306704 residual = 0.173412118589348
264 … ik = 9 is = 1 idiag = 15 dE(Ry) = 0.000301386349530 residual = 0.023315284553535
265 … ik = 9 is = 1 idiag = 16 dE(Ry) = 0.000007520419669 residual = 0.002633779137280
266 … ik = 9 is = 1 idiag = 17 dE(Ry) = 0.000000080780856 residual = 0.000228549014302
267 … ik = 9 is = 1 idiag = 18 dE(Ry) = 0.000000000523943 residual = 0.000017535557494
268 … ik = 9 is = 1 idiag = 19 dE(Ry) = 0.000000000003045 residual = 0.000003962220009
269 … ik = 9 is = 1 idiag = 20 dE(Ry) = 0.000000000027210 residual = 0.000051646516645
270 … ik = 9 is = 1 idiag = 21 dE(Ry) = 0.000000001144408 residual = 0.000176714207168
271 … ik = 9 is = 1 idiag = 22 dE(Ry) = 0.000000000340633 residual = 0.000019115339500
272 … ik = 9 is = 1 idiag = 23 dE(Ry) = 0.000000000003475 residual = 0.000001706051505
273 … ik = 9 is = 1 idiag = 24 dE(Ry) = 0.000000000000074 residual = 0.000000147893586
274 … ik = 9 is = 1 idiag = 25 dE(Ry) = 0.000000000000063 residual = 0.000000087360465
275 … ik = 10 is = 1 idiag = 1 dE(Ry) = 242.063012313943801 residual = 263.335872991384178
276 … ik = 10 is = 1 idiag = 2 dE(Ry) = 54.377719931124034 residual = 71.175375646637974
277 … ik = 10 is = 1 idiag = 3 dE(Ry) = 71.898721185503575 residual = 83.872917156884782
278 … ik = 10 is = 1 idiag = 4 dE(Ry) = 48.361214746975691 residual = 55.997809482631723
279 … ik = 10 is = 1 idiag = 5 dE(Ry) = 30.878700199836459 residual = 35.612729046028100
280 … ik = 10 is = 1 idiag = 6 dE(Ry) = 18.611091061306148 residual = 21.401662652997643
281 … ik = 10 is = 1 idiag = 7 dE(Ry) = 10.730626278248891 residual = 12.369950364962829
282 … ik = 10 is = 1 idiag = 8 dE(Ry) = 5.684403036970513 residual = 8.178728266011126
283 … ik = 10 is = 1 idiag = 9 dE(Ry) = 6.809215759185971 residual = 9.394579194960734
284 … ik = 10 is = 1 idiag = 10 dE(Ry) = 3.468655478867417 residual = 5.658589115684219
285 … ik = 10 is = 1 idiag = 11 dE(Ry) = 1.996034000639232 residual = 2.539827377997059
286 … ik = 10 is = 1 idiag = 12 dE(Ry) = 0.729400323941473 residual = 3.188939371217142
287 … ik = 10 is = 1 idiag = 13 dE(Ry) = 0.312493724349638 residual = 1.037569988005606
288 … ik = 10 is = 1 idiag = 14 dE(Ry) = 0.015947542700771 residual = 0.150903194573015
289 … ik = 10 is = 1 idiag = 15 dE(Ry) = 0.000293129004326 residual = 0.017128961841001
290 … ik = 10 is = 1 idiag = 16 dE(Ry) = 0.000003666264958 residual = 0.001916307968555
291 … ik = 10 is = 1 idiag = 17 dE(Ry) = 0.000000038831006 residual = 0.000171602361168
292 … ik = 10 is = 1 idiag = 18 dE(Ry) = 0.000000000313379 residual = 0.000012708136978
293 … ik = 10 is = 1 idiag = 19 dE(Ry) = 0.000000000001656 residual = 0.000002821666212
294 … ik = 10 is = 1 idiag = 20 dE(Ry) = 0.000000000013804 residual = 0.000037215400829
295 … ik = 10 is = 1 idiag = 21 dE(Ry) = 0.000000002534003 residual = 0.000265911052371
296 … ik = 10 is = 1 idiag = 22 dE(Ry) = 0.000000000679345 residual = 0.000024841865992
297 … ik = 10 is = 1 idiag = 23 dE(Ry) = 0.000000000005777 residual = 0.000002178120391
298 … ik = 10 is = 1 idiag = 24 dE(Ry) = 0.000000000000060 residual = 0.000000200743027
299 … ik = 10 is = 1 idiag = 25 dE(Ry) = 0.000000000000071 residual = 0.000000076725262
300 … ik = 11 is = 1 idiag = 1 dE(Ry) = 241.955509872269346 residual = 263.041255148524669
301 … ik = 11 is = 1 idiag = 2 dE(Ry) = 54.219482418018060 residual = 70.887266501903724
302 … ik = 11 is = 1 idiag = 3 dE(Ry) = 72.331580868074155 residual = 84.244296144552933
303 … ik = 11 is = 1 idiag = 4 dE(Ry) = 48.341980873087309 residual = 55.840621441746642
304 … ik = 11 is = 1 idiag = 5 dE(Ry) = 30.679814290208057 residual = 35.461317454403570
305 … ik = 11 is = 1 idiag = 6 dE(Ry) = 18.785332787408251 residual = 21.745097610367729
306 … ik = 11 is = 1 idiag = 7 dE(Ry) = 10.727059123852300 residual = 12.406287414128093
307 … ik = 11 is = 1 idiag = 8 dE(Ry) = 6.087062754000832 residual = 8.989447270720310
308 … ik = 11 is = 1 idiag = 9 dE(Ry) = 6.905539633573572 residual = 9.289594651513941
309 … ik = 11 is = 1 idiag = 10 dE(Ry) = 3.513566407887453 residual = 5.640952478571099
310 … ik = 11 is = 1 idiag = 11 dE(Ry) = 2.046825445032727 residual = 2.589498369532082
311 … ik = 11 is = 1 idiag = 12 dE(Ry) = 0.715994454901012 residual = 3.365725317034450
312 … ik = 11 is = 1 idiag = 13 dE(Ry) = 0.312263261620595 residual = 1.068587733279396
313 … ik = 11 is = 1 idiag = 14 dE(Ry) = 0.016953987173540 residual = 0.154234243245578
314 … ik = 11 is = 1 idiag = 15 dE(Ry) = 0.000311053853364 residual = 0.019031013339709
315 … ik = 11 is = 1 idiag = 16 dE(Ry) = 0.000004538612913 residual = 0.002113815581514
316 … ik = 11 is = 1 idiag = 17 dE(Ry) = 0.000000043584453 residual = 0.000198527518293
317 … ik = 11 is = 1 idiag = 18 dE(Ry) = 0.000000000421253 residual = 0.000014677297705
318 … ik = 11 is = 1 idiag = 19 dE(Ry) = 0.000000000002190 residual = 0.000003169360542
319 … ik = 11 is = 1 idiag = 20 dE(Ry) = 0.000000000017428 residual = 0.000040799266841
320 … ik = 11 is = 1 idiag = 21 dE(Ry) = 0.000000002533034 residual = 0.000255683447040
321 … ik = 11 is = 1 idiag = 22 dE(Ry) = 0.000000000663399 residual = 0.000025732384682
322 … ik = 11 is = 1 idiag = 23 dE(Ry) = 0.000000000006469 residual = 0.000002240363427
323 … ik = 11 is = 1 idiag = 24 dE(Ry) = 0.000000000000060 residual = 0.000000192927181
324 … ik = 11 is = 1 idiag = 25 dE(Ry) = 0.000000000000069 residual = 0.000000074353762
325 … ik = 12 is = 1 idiag = 1 dE(Ry) = 242.071971401361736 residual = 263.407226483820637
326 … ik = 12 is = 1 idiag = 2 dE(Ry) = 54.509579320935927 residual = 71.088219244131579
327 … ik = 12 is = 1 idiag = 3 dE(Ry) = 71.782757817793367 residual = 83.743379727526403
328 … ik = 12 is = 1 idiag = 4 dE(Ry) = 48.349744173389595 residual = 56.011423992433265
329 … ik = 12 is = 1 idiag = 5 dE(Ry) = 30.758534050258859 residual = 35.588597056437067
330 … ik = 12 is = 1 idiag = 6 dE(Ry) = 18.723822136648405 residual = 21.571144788804016
331 … ik = 12 is = 1 idiag = 7 dE(Ry) = 10.841839471270694 residual = 12.595190124564544
332 … ik = 12 is = 1 idiag = 8 dE(Ry) = 5.859445490696716 residual = 8.513581994596359
333 … ik = 12 is = 1 idiag = 9 dE(Ry) = 6.737850905464136 residual = 9.268972606587251
334 … ik = 12 is = 1 idiag = 10 dE(Ry) = 3.344125582215807 residual = 5.630032705260457
335 … ik = 12 is = 1 idiag = 11 dE(Ry) = 1.873774713118298 residual = 2.578613985735252
336 … ik = 12 is = 1 idiag = 12 dE(Ry) = 0.739876590403730 residual = 3.177348355643196
337 … ik = 12 is = 1 idiag = 13 dE(Ry) = 0.313333113033368 residual = 1.003102927571879
338 … ik = 12 is = 1 idiag = 14 dE(Ry) = 0.014853079980477 residual = 0.150103913669820
339 … ik = 12 is = 1 idiag = 15 dE(Ry) = 0.000317197274458 residual = 0.018945312632646
340 … ik = 12 is = 1 idiag = 16 dE(Ry) = 0.000004282422578 residual = 0.001919102676087
341 … ik = 12 is = 1 idiag = 17 dE(Ry) = 0.000000039080860 residual = 0.000194345997745
342 … ik = 12 is = 1 idiag = 18 dE(Ry) = 0.000000000402378 residual = 0.000015845239586
343 … ik = 12 is = 1 idiag = 19 dE(Ry) = 0.000000000002638 residual = 0.000002517688849
344 … ik = 12 is = 1 idiag = 20 dE(Ry) = 0.000000000010959 residual = 0.000031656368802
345 … ik = 12 is = 1 idiag = 21 dE(Ry) = 0.000000000817399 residual = 0.000197992231127
346 … ik = 12 is = 1 idiag = 22 dE(Ry) = 0.000000000578348 residual = 0.000026263919741
347 … ik = 12 is = 1 idiag = 23 dE(Ry) = 0.000000000006654 residual = 0.000002250762104
348 … ik = 12 is = 1 idiag = 24 dE(Ry) = 0.000000000000074 residual = 0.000000199359496
349 … ik = 12 is = 1 idiag = 25 dE(Ry) = 0.000000000000063 residual = 0.000000085008928
350 … ik = 13 is = 1 idiag = 1 dE(Ry) = 241.964663260444297 residual = 263.296077358031880
351 … ik = 13 is = 1 idiag = 2 dE(Ry) = 54.042509142996607 residual = 70.764928343003064
352 … ik = 13 is = 1 idiag = 3 dE(Ry) = 72.176843479265415 residual = 84.020188582425945
353 … ik = 13 is = 1 idiag = 4 dE(Ry) = 47.965868766593587 residual = 55.609211503073411
354 … ik = 13 is = 1 idiag = 5 dE(Ry) = 30.858321160863653 residual = 35.575125419295254
355 … ik = 13 is = 1 idiag = 6 dE(Ry) = 18.664752528157880 residual = 21.338872981956087
356 … ik = 13 is = 1 idiag = 7 dE(Ry) = 10.676281568352518 residual = 12.348555814252101
357 … ik = 13 is = 1 idiag = 8 dE(Ry) = 6.688271259294966 residual = 9.083072554243689
358 … ik = 13 is = 1 idiag = 9 dE(Ry) = 6.351403938475530 residual = 9.052486190801822
359 … ik = 13 is = 1 idiag = 10 dE(Ry) = 3.354983952862458 residual = 5.572256375801421
360 … ik = 13 is = 1 idiag = 11 dE(Ry) = 1.866609027499405 residual = 2.464248155974999
361 … ik = 13 is = 1 idiag = 12 dE(Ry) = 0.726283943360029 residual = 3.455371061833324
362 … ik = 13 is = 1 idiag = 13 dE(Ry) = 0.342234605143255 residual = 1.115511981686022
363 … ik = 13 is = 1 idiag = 14 dE(Ry) = 0.019239274819135 residual = 0.178434332673367
364 … ik = 13 is = 1 idiag = 15 dE(Ry) = 0.000444633286243 residual = 0.022912324615626
365 … ik = 13 is = 1 idiag = 16 dE(Ry) = 0.000006560391934 residual = 0.002543465074375
366 … ik = 13 is = 1 idiag = 17 dE(Ry) = 0.000000069843776 residual = 0.000242860405327
367 … ik = 13 is = 1 idiag = 18 dE(Ry) = 0.000000000617667 residual = 0.000018314335190
368 … ik = 13 is = 1 idiag = 19 dE(Ry) = 0.000000000003500 residual = 0.000003958758973
369 … ik = 13 is = 1 idiag = 20 dE(Ry) = 0.000000000030056 residual = 0.000054437779648
370 … ik = 13 is = 1 idiag = 21 dE(Ry) = 0.000000001715180 residual = 0.000203668726072
371 … ik = 13 is = 1 idiag = 22 dE(Ry) = 0.000000000444541 residual = 0.000020207024704
372 … ik = 13 is = 1 idiag = 23 dE(Ry) = 0.000000000003902 residual = 0.000001750661547
373 … ik = 13 is = 1 idiag = 24 dE(Ry) = 0.000000000000054 residual = 0.000000144965749
374 … ik = 13 is = 1 idiag = 25 dE(Ry) = 0.000000000000070 residual = 0.000000089154432
375 … ik = 14 is = 1 idiag = 1 dE(Ry) = 242.290312574448620 residual = 263.641558471965141
376 … ik = 14 is = 1 idiag = 2 dE(Ry) = 54.572424519397714 residual = 71.345103842039890
377 … ik = 14 is = 1 idiag = 3 dE(Ry) = 71.879669119479587 residual = 83.776769553939388
378 … ik = 14 is = 1 idiag = 4 dE(Ry) = 48.279166373817503 residual = 56.022504307574359
379 … ik = 14 is = 1 idiag = 5 dE(Ry) = 30.977276727081133 residual = 35.765822563964569
380 … ik = 14 is = 1 idiag = 6 dE(Ry) = 18.585654977083358 residual = 21.659702541397440
381 … ik = 14 is = 1 idiag = 7 dE(Ry) = 10.656275936460045 residual = 12.397429895097059
382 … ik = 14 is = 1 idiag = 8 dE(Ry) = 6.253353765330544 residual = 9.254696142343825
383 … ik = 14 is = 1 idiag = 9 dE(Ry) = 6.752134182217264 residual = 9.321654231549328
384 … ik = 14 is = 1 idiag = 10 dE(Ry) = 3.521097989266175 residual = 5.579492295297772
385 … ik = 14 is = 1 idiag = 11 dE(Ry) = 1.805451869804764 residual = 2.635937268842955
386 … ik = 14 is = 1 idiag = 12 dE(Ry) = 0.761475873880214 residual = 3.086424781338811
387 … ik = 14 is = 1 idiag = 13 dE(Ry) = 0.325678063251780 residual = 1.144051817868339
388 … ik = 14 is = 1 idiag = 14 dE(Ry) = 0.020969142096352 residual = 0.176748788670278
389 … ik = 14 is = 1 idiag = 15 dE(Ry) = 0.000435095157103 residual = 0.023219212693241
390 … ik = 14 is = 1 idiag = 16 dE(Ry) = 0.000006960418168 residual = 0.002572528517926
391 … ik = 14 is = 1 idiag = 17 dE(Ry) = 0.000000074270338 residual = 0.000250066570546
392 … ik = 14 is = 1 idiag = 18 dE(Ry) = 0.000000000668438 residual = 0.000020603795231
393 … ik = 14 is = 1 idiag = 19 dE(Ry) = 0.000000000004115 residual = 0.000003370188827
394 … ik = 14 is = 1 idiag = 20 dE(Ry) = 0.000000000020242 residual = 0.000043541339281
395 … ik = 14 is = 1 idiag = 21 dE(Ry) = 0.000000002413953 residual = 0.000266273284200
396 … ik = 14 is = 1 idiag = 22 dE(Ry) = 0.000000000729117 residual = 0.000025830934870
397 … ik = 14 is = 1 idiag = 23 dE(Ry) = 0.000000000006587 residual = 0.000002394439345
398 … ik = 14 is = 1 idiag = 24 dE(Ry) = 0.000000000000064 residual = 0.000000204808547
399 … ik = 14 is = 1 idiag = 25 dE(Ry) = 0.000000000000065 residual = 0.000000086240475
400 … ik = 15 is = 1 idiag = 1 dE(Ry) = 242.070146847685209 residual = 263.309955585225055
401 … ik = 15 is = 1 idiag = 2 dE(Ry) = 54.311757477255753 residual = 71.023862574045197
402 … ik = 15 is = 1 idiag = 3 dE(Ry) = 72.129487873984118 residual = 84.111170922259234
403 … ik = 15 is = 1 idiag = 4 dE(Ry) = 48.109775680135158 residual = 55.703978948853518
404 … ik = 15 is = 1 idiag = 5 dE(Ry) = 30.581249146755368 residual = 35.410602210484690
405 … ik = 15 is = 1 idiag = 6 dE(Ry) = 18.678960405794463 residual = 21.732441596190530
406 … ik = 15 is = 1 idiag = 7 dE(Ry) = 10.739023606223785 residual = 12.532151797833654
407 … ik = 15 is = 1 idiag = 8 dE(Ry) = 5.972407056049672 residual = 8.917576260110586
408 … ik = 15 is = 1 idiag = 9 dE(Ry) = 6.674041664349431 residual = 9.369917309064682
409 … ik = 15 is = 1 idiag = 10 dE(Ry) = 3.481068282013663 residual = 5.634866260997367
410 … ik = 15 is = 1 idiag = 11 dE(Ry) = 1.503508654463024 residual = 2.583325555930006
411 … ik = 15 is = 1 idiag = 12 dE(Ry) = 0.746900975940307 residual = 3.148745845305590
412 … ik = 15 is = 1 idiag = 13 dE(Ry) = 0.340716897130115 residual = 1.131146391738401
413 … ik = 15 is = 1 idiag = 14 dE(Ry) = 0.018714603521487 residual = 0.165685828529943
414 … ik = 15 is = 1 idiag = 15 dE(Ry) = 0.000363091696167 residual = 0.019534777589843
415 … ik = 15 is = 1 idiag = 16 dE(Ry) = 0.000004490585812 residual = 0.001936937694280
416 … ik = 15 is = 1 idiag = 17 dE(Ry) = 0.000000040280196 residual = 0.000195192967421
417 … ik = 15 is = 1 idiag = 18 dE(Ry) = 0.000000000422519 residual = 0.000016515063235
418 … ik = 15 is = 1 idiag = 19 dE(Ry) = 0.000000000002847 residual = 0.000006475693870
419 … ik = 15 is = 1 idiag = 20 dE(Ry) = 0.000000000070591 residual = 0.000084196017985
420 … ik = 15 is = 1 idiag = 21 dE(Ry) = 0.000000001760178 residual = 0.000136502366719
421 … ik = 15 is = 1 idiag = 22 dE(Ry) = 0.000000000182516 residual = 0.000013951382165
422 … ik = 15 is = 1 idiag = 23 dE(Ry) = 0.000000000001758 residual = 0.000001200405533
423 … ik = 15 is = 1 idiag = 24 dE(Ry) = 0.000000000000068 residual = 0.000000096889635
424 … ik = 16 is = 1 idiag = 1 dE(Ry) = 241.648603406099113 residual = 263.041008313095745
425 … ik = 16 is = 1 idiag = 2 dE(Ry) = 54.371615211853907 residual = 71.113042576954783
426 … ik = 16 is = 1 idiag = 3 dE(Ry) = 71.849463823233009 residual = 83.737216770780080
427 … ik = 16 is = 1 idiag = 4 dE(Ry) = 47.978103800444075 residual = 55.505947541232260
428 … ik = 16 is = 1 idiag = 5 dE(Ry) = 30.626075370107955 residual = 35.490953094991653
429 … ik = 16 is = 1 idiag = 6 dE(Ry) = 18.734294823826282 residual = 21.699040372481228
430 … ik = 16 is = 1 idiag = 7 dE(Ry) = 10.789842611998115 residual = 12.494003023733567
431 … ik = 16 is = 1 idiag = 8 dE(Ry) = 6.083673803425006 residual = 8.537189280055856
432 … ik = 16 is = 1 idiag = 9 dE(Ry) = 6.546102627567715 residual = 9.168586732991818
433 … ik = 16 is = 1 idiag = 10 dE(Ry) = 3.503949504912311 residual = 5.589458557950285
434 … ik = 16 is = 1 idiag = 11 dE(Ry) = 1.927973769794478 residual = 2.428077839880116
435 … ik = 16 is = 1 idiag = 12 dE(Ry) = 0.702114890037011 residual = 3.627895066140272
436 … ik = 16 is = 1 idiag = 13 dE(Ry) = 0.310341236280597 residual = 1.178529491419937
437 … ik = 16 is = 1 idiag = 14 dE(Ry) = 0.021947539965651 residual = 0.180456924295384
438 … ik = 16 is = 1 idiag = 15 dE(Ry) = 0.000413963611741 residual = 0.019336645601552
439 … ik = 16 is = 1 idiag = 16 dE(Ry) = 0.000004670917003 residual = 0.002043942146975
440 … ik = 16 is = 1 idiag = 17 dE(Ry) = 0.000000045030322 residual = 0.000206562182356
441 … ik = 16 is = 1 idiag = 18 dE(Ry) = 0.000000000454976 residual = 0.000016442855847
442 … ik = 16 is = 1 idiag = 19 dE(Ry) = 0.000000000002761 residual = 0.000002971894434
443 … ik = 16 is = 1 idiag = 20 dE(Ry) = 0.000000000016354 residual = 0.000039736588635
444 … ik = 16 is = 1 idiag = 21 dE(Ry) = 0.000000001845867 residual = 0.000283321045245
445 … ik = 16 is = 1 idiag = 22 dE(Ry) = 0.000000000898750 residual = 0.000029898840731
446 … ik = 16 is = 1 idiag = 23 dE(Ry) = 0.000000000008587 residual = 0.000002635055033
447 … ik = 16 is = 1 idiag = 24 dE(Ry) = 0.000000000000083 residual = 0.000000224722290
448 … ik = 16 is = 1 idiag = 25 dE(Ry) = 0.000000000000065 residual = 0.000000089969930
449 … ik = 17 is = 1 idiag = 1 dE(Ry) = 242.407913864509766 residual = 263.544286015124385
450 … ik = 17 is = 1 idiag = 2 dE(Ry) = 54.293523266675777 residual = 70.997028166924807
451 … ik = 17 is = 1 idiag = 3 dE(Ry) = 72.438701252918378 residual = 84.157980640050923
452 … ik = 17 is = 1 idiag = 4 dE(Ry) = 48.024315255053736 residual = 55.648165613177710
453 … ik = 17 is = 1 idiag = 5 dE(Ry) = 30.740215048934132 residual = 35.536120120823441
454 … ik = 17 is = 1 idiag = 6 dE(Ry) = 19.032404672625990 residual = 21.976320876715196
455 … ik = 17 is = 1 idiag = 7 dE(Ry) = 10.746833320814449 residual = 12.484913408402836
456 … ik = 17 is = 1 idiag = 8 dE(Ry) = 6.000433689645780 residual = 8.478737194558077
457 … ik = 17 is = 1 idiag = 9 dE(Ry) = 6.594883161512157 residual = 9.341578223607781
458 … ik = 17 is = 1 idiag = 10 dE(Ry) = 3.494329974078471 residual = 5.754602363355271
459 … ik = 17 is = 1 idiag = 11 dE(Ry) = 1.820352795496492 residual = 2.533576003495313
460 … ik = 17 is = 1 idiag = 12 dE(Ry) = 0.729630223358238 residual = 3.130508980598652
461 … ik = 17 is = 1 idiag = 13 dE(Ry) = 0.318644595139507 residual = 1.123983140353960
462 … ik = 17 is = 1 idiag = 14 dE(Ry) = 0.019452893386072 residual = 0.163628195660122
463 … ik = 17 is = 1 idiag = 15 dE(Ry) = 0.000342858123890 residual = 0.020824018928178
464 … ik = 17 is = 1 idiag = 16 dE(Ry) = 0.000005552913521 residual = 0.002189215495679
465 … ik = 17 is = 1 idiag = 17 dE(Ry) = 0.000000054527965 residual = 0.000207226536782
466 … ik = 17 is = 1 idiag = 18 dE(Ry) = 0.000000000429114 residual = 0.000015601882661
467 … ik = 17 is = 1 idiag = 19 dE(Ry) = 0.000000000002346 residual = 0.000002137094799
468 … ik = 17 is = 1 idiag = 20 dE(Ry) = 0.000000000008560 residual = 0.000028962379372
469 … ik = 17 is = 1 idiag = 21 dE(Ry) = 0.000000001952234 residual = 0.000339159648683
470 … ik = 17 is = 1 idiag = 22 dE(Ry) = 0.000000001243689 residual = 0.000036439728440
471 … ik = 17 is = 1 idiag = 23 dE(Ry) = 0.000000000012742 residual = 0.000003377172511
472 … ik = 17 is = 1 idiag = 24 dE(Ry) = 0.000000000000110 residual = 0.000000282267355
473 … ik = 17 is = 1 idiag = 25 dE(Ry) = 0.000000000000066 residual = 0.000000080302167
474 … ik = 18 is = 1 idiag = 1 dE(Ry) = 242.016098673278179 residual = 263.221682810124832
475 … ik = 18 is = 1 idiag = 2 dE(Ry) = 54.203029020673114 residual = 71.051860984221250
476 … ik = 18 is = 1 idiag = 3 dE(Ry) = 72.321209328204901 residual = 84.355646772832898
477 … ik = 18 is = 1 idiag = 4 dE(Ry) = 48.316608120564325 residual = 55.863604342750293
478 … ik = 18 is = 1 idiag = 5 dE(Ry) = 30.714046011911719 residual = 35.446267125513565
479 … ik = 18 is = 1 idiag = 6 dE(Ry) = 18.744821482740392 residual = 21.676881272094011
480 … ik = 18 is = 1 idiag = 7 dE(Ry) = 10.623069923201644 residual = 12.418283673327760
481 … ik = 18 is = 1 idiag = 8 dE(Ry) = 5.844459073931958 residual = 8.112506916761783
482 … ik = 18 is = 1 idiag = 9 dE(Ry) = 6.838232823681583 residual = 9.365767238724255
483 … ik = 18 is = 1 idiag = 10 dE(Ry) = 3.505984887534668 residual = 5.606247700654220
484 … ik = 18 is = 1 idiag = 11 dE(Ry) = 1.809685608564549 residual = 2.613744019161903
485 … ik = 18 is = 1 idiag = 12 dE(Ry) = 0.703313615489722 residual = 3.051001234312347
486 … ik = 18 is = 1 idiag = 13 dE(Ry) = 0.286114729729595 residual = 1.064400271624951
487 … ik = 18 is = 1 idiag = 14 dE(Ry) = 0.016919661563623 residual = 0.154732259960418
488 … ik = 18 is = 1 idiag = 15 dE(Ry) = 0.000302932550674 residual = 0.019353280034775
489 … ik = 18 is = 1 idiag = 16 dE(Ry) = 0.000004690460840 residual = 0.002153847446060
490 … ik = 18 is = 1 idiag = 17 dE(Ry) = 0.000000051149621 residual = 0.000214721233146
491 … ik = 18 is = 1 idiag = 18 dE(Ry) = 0.000000000492226 residual = 0.000016994672979
492 … ik = 18 is = 1 idiag = 19 dE(Ry) = 0.000000000002883 residual = 0.000001197340300
493 … ik = 18 is = 1 idiag = 20 dE(Ry) = 0.000000000000096 residual = 0.000002232398897
494 … ik = 18 is = 1 idiag = 21 dE(Ry) = 0.000000000006190 residual = 0.000022035662082
495 … ik = 18 is = 1 idiag = 22 dE(Ry) = 0.000000000019253 residual = 0.000008568282353
496 … ik = 18 is = 1 idiag = 23 dE(Ry) = 0.000000000000734 residual = 0.000000845239634
497 … ik = 18 is = 1 idiag = 24 dE(Ry) = 0.000000000000087 residual = 0.000000068673398
498 … ik = 19 is = 1 idiag = 1 dE(Ry) = 241.598801453227281 residual = 262.805898222884650
499 … ik = 19 is = 1 idiag = 2 dE(Ry) = 54.341575287297530 residual = 71.075219454273537
500 … ik = 19 is = 1 idiag = 3 dE(Ry) = 71.927789301345797 residual = 83.717243290365616
501 … ik = 19 is = 1 idiag = 4 dE(Ry) = 48.249710503958312 residual = 55.791519033170566
502 … ik = 19 is = 1 idiag = 5 dE(Ry) = 30.713054157486141 residual = 35.563654942917729
503 … ik = 19 is = 1 idiag = 6 dE(Ry) = 18.820057907437061 residual = 21.681713086682205
504 … ik = 19 is = 1 idiag = 7 dE(Ry) = 10.814633704802864 residual = 12.532593565957226
505 … ik = 19 is = 1 idiag = 8 dE(Ry) = 6.450316409029882 residual = 9.324479178934903
506 … ik = 19 is = 1 idiag = 9 dE(Ry) = 6.410587751650887 residual = 9.123961499406882
507 … ik = 19 is = 1 idiag = 10 dE(Ry) = 3.581707532328724 residual = 5.490786756828877
508 … ik = 19 is = 1 idiag = 11 dE(Ry) = 1.960294298068960 residual = 2.576574934469031
509 … ik = 19 is = 1 idiag = 12 dE(Ry) = 0.721212916059242 residual = 3.391678301768550
510 … ik = 19 is = 1 idiag = 13 dE(Ry) = 0.318076765529965 residual = 1.180285712484452
511 … ik = 19 is = 1 idiag = 14 dE(Ry) = 0.021855244348846 residual = 0.179477037457727
512 … ik = 19 is = 1 idiag = 15 dE(Ry) = 0.000416568654478 residual = 0.019535174423197
513 … ik = 19 is = 1 idiag = 16 dE(Ry) = 0.000004982980710 residual = 0.002327453008617
514 … ik = 19 is = 1 idiag = 17 dE(Ry) = 0.000000059448288 residual = 0.000219354423127
515 … ik = 19 is = 1 idiag = 18 dE(Ry) = 0.000000000517866 residual = 0.000018086409989
516 … ik = 19 is = 1 idiag = 19 dE(Ry) = 0.000000000003196 residual = 0.000002993024400
517 … ik = 19 is = 1 idiag = 20 dE(Ry) = 0.000000000016793 residual = 0.000041381171891
518 … ik = 19 is = 1 idiag = 21 dE(Ry) = 0.000000001964103 residual = 0.000255295852922
519 … ik = 19 is = 1 idiag = 22 dE(Ry) = 0.000000000694265 residual = 0.000025904372588
520 … ik = 19 is = 1 idiag = 23 dE(Ry) = 0.000000000006444 residual = 0.000002117551090
521 … ik = 19 is = 1 idiag = 24 dE(Ry) = 0.000000000000069 residual = 0.000000183977791
522 … ik = 19 is = 1 idiag = 25 dE(Ry) = 0.000000000000060 residual = 0.000000097071864
523 … ik = 20 is = 1 idiag = 1 dE(Ry) = 241.491043672819160 residual = 262.822850031535552
524 … ik = 20 is = 1 idiag = 2 dE(Ry) = 54.318857578119804 residual = 70.995562354322416
525 … ik = 20 is = 1 idiag = 3 dE(Ry) = 71.602111326405122 residual = 83.663824535389821
526 … ik = 20 is = 1 idiag = 4 dE(Ry) = 48.433257022134867 residual = 56.010250433809532
527 … ik = 20 is = 1 idiag = 5 dE(Ry) = 30.656950909439956 residual = 35.411323136912657
528 … ik = 20 is = 1 idiag = 6 dE(Ry) = 18.794464421543562 residual = 21.738599388831382
529 … ik = 20 is = 1 idiag = 7 dE(Ry) = 10.794931830747734 residual = 12.503838518820697
530 … ik = 20 is = 1 idiag = 8 dE(Ry) = 6.523580461444743 residual = 9.695045341127029
531 … ik = 20 is = 1 idiag = 9 dE(Ry) = 6.536580948703683 residual = 9.261817422057751
532 … ik = 20 is = 1 idiag = 10 dE(Ry) = 3.522930858963930 residual = 5.451498813744925
533 … ik = 20 is = 1 idiag = 11 dE(Ry) = 2.263499961492475 residual = 2.771972165873686
534 … ik = 20 is = 1 idiag = 12 dE(Ry) = 0.707843910999699 residual = 3.477290972023089
535 … ik = 20 is = 1 idiag = 13 dE(Ry) = 0.291943032507974 residual = 1.182164023282006
536 … ik = 20 is = 1 idiag = 14 dE(Ry) = 0.023610061804236 residual = 0.189393710411950
537 … ik = 20 is = 1 idiag = 15 dE(Ry) = 0.000449945934771 residual = 0.020941480969343
538 … ik = 20 is = 1 idiag = 16 dE(Ry) = 0.000005501275097 residual = 0.002293167739975
539 … ik = 20 is = 1 idiag = 17 dE(Ry) = 0.000000053223190 residual = 0.000218757739842
540 … ik = 20 is = 1 idiag = 18 dE(Ry) = 0.000000000525614 residual = 0.000017144278959
541 … ik = 20 is = 1 idiag = 19 dE(Ry) = 0.000000000003013 residual = 0.000005196472503
542 … ik = 20 is = 1 idiag = 20 dE(Ry) = 0.000000000050441 residual = 0.000070335912143
543 … ik = 20 is = 1 idiag = 21 dE(Ry) = 0.000000002327834 residual = 0.000145980523042
544 … ik = 20 is = 1 idiag = 22 dE(Ry) = 0.000000000215978 residual = 0.000014203530444
545 … ik = 20 is = 1 idiag = 23 dE(Ry) = 0.000000000001956 residual = 0.000001321422481
546 … ik = 20 is = 1 idiag = 24 dE(Ry) = 0.000000000000096 residual = 0.000000114279440
547 … ik = 20 is = 1 idiag = 25 dE(Ry) = 0.000000000000083 residual = 0.000000092673308
548 … ik = 21 is = 1 idiag = 1 dE(Ry) = 241.658632378109161 residual = 263.021466949753631
549 … ik = 21 is = 1 idiag = 2 dE(Ry) = 54.182789317545030 residual = 70.950588772399286
550 … ik = 21 is = 1 idiag = 3 dE(Ry) = 71.736147936752332 residual = 83.637445212673256
551 … ik = 21 is = 1 idiag = 4 dE(Ry) = 48.395175768431500 residual = 56.074814462905373
552 … ik = 21 is = 1 idiag = 5 dE(Ry) = 30.677308137089909 residual = 35.320342893796074
553 … ik = 21 is = 1 idiag = 6 dE(Ry) = 18.739564916382765 residual = 21.647651803323360
554 … ik = 21 is = 1 idiag = 7 dE(Ry) = 10.851730136499128 residual = 12.496724413624188
555 … ik = 21 is = 1 idiag = 8 dE(Ry) = 5.975984025043514 residual = 8.635058663975407
556 … ik = 21 is = 1 idiag = 9 dE(Ry) = 6.569168491352766 residual = 9.107822708429596
557 … ik = 21 is = 1 idiag = 10 dE(Ry) = 3.505946223507475 residual = 5.551461924648374
558 … ik = 21 is = 1 idiag = 11 dE(Ry) = 1.785460751575994 residual = 2.482444889754741
559 … ik = 21 is = 1 idiag = 12 dE(Ry) = 0.730992563092107 residual = 3.211139992978393
560 … ik = 21 is = 1 idiag = 13 dE(Ry) = 0.317421844037873 residual = 1.057347318098781
561 … ik = 21 is = 1 idiag = 14 dE(Ry) = 0.016970854805709 residual = 0.147541836065230
562 … ik = 21 is = 1 idiag = 15 dE(Ry) = 0.000277903487303 residual = 0.018090298379148
563 … ik = 21 is = 1 idiag = 16 dE(Ry) = 0.000004330352895 residual = 0.002088357149368
564 … ik = 21 is = 1 idiag = 17 dE(Ry) = 0.000000050100319 residual = 0.000206233750400
565 … ik = 21 is = 1 idiag = 18 dE(Ry) = 0.000000000450394 residual = 0.000016356301914
566 … ik = 21 is = 1 idiag = 19 dE(Ry) = 0.000000000002733 residual = 0.000002610205900
567 … ik = 21 is = 1 idiag = 20 dE(Ry) = 0.000000000010719 residual = 0.000032451971424
568 … ik = 21 is = 1 idiag = 21 dE(Ry) = 0.000000002208787 residual = 0.000283219470189
569 … ik = 21 is = 1 idiag = 22 dE(Ry) = 0.000000000774246 residual = 0.000027678573006
570 … ik = 21 is = 1 idiag = 23 dE(Ry) = 0.000000000007294 residual = 0.000002352613999
571 … ik = 21 is = 1 idiag = 24 dE(Ry) = 0.000000000000064 residual = 0.000000202907015
572 … ik = 21 is = 1 idiag = 25 dE(Ry) = 0.000000000000086 residual = 0.000000075073743
573 … ik = 22 is = 1 idiag = 1 dE(Ry) = 241.443132331367764 residual = 262.824974747707756
574 … ik = 22 is = 1 idiag = 2 dE(Ry) = 54.384203935595707 residual = 71.200154789697606
575 … ik = 22 is = 1 idiag = 3 dE(Ry) = 71.547274022365855 residual = 83.503197395537129
576 … ik = 22 is = 1 idiag = 4 dE(Ry) = 48.141170147744575 residual = 55.899001331532162
577 … ik = 22 is = 1 idiag = 5 dE(Ry) = 30.872927410953565 residual = 35.592626722876929
578 … ik = 22 is = 1 idiag = 6 dE(Ry) = 18.637832861335841 residual = 21.560864467885178
579 … ik = 22 is = 1 idiag = 7 dE(Ry) = 10.791152047410655 residual = 12.480228551697714
580 … ik = 22 is = 1 idiag = 8 dE(Ry) = 5.915685836301225 residual = 8.566239186130273
581 … ik = 22 is = 1 idiag = 9 dE(Ry) = 6.201749529829917 residual = 8.929072291106596
582 … ik = 22 is = 1 idiag = 10 dE(Ry) = 3.468515787478715 residual = 5.533943619796923
583 … ik = 22 is = 1 idiag = 11 dE(Ry) = 1.884554901680893 residual = 2.563070709286577
584 … ik = 22 is = 1 idiag = 12 dE(Ry) = 0.709481623086574 residual = 3.051304645722154
585 … ik = 22 is = 1 idiag = 13 dE(Ry) = 0.325725709514660 residual = 1.142844307530709
586 … ik = 22 is = 1 idiag = 14 dE(Ry) = 0.019945932998078 residual = 0.167230609771823
587 … ik = 22 is = 1 idiag = 15 dE(Ry) = 0.000363274925365 residual = 0.020591515118375
588 … ik = 22 is = 1 idiag = 16 dE(Ry) = 0.000005491799717 residual = 0.002268224674010
589 … ik = 22 is = 1 idiag = 17 dE(Ry) = 0.000000055906488 residual = 0.000217516752964
590 … ik = 22 is = 1 idiag = 18 dE(Ry) = 0.000000000500962 residual = 0.000016938034887
591 … ik = 22 is = 1 idiag = 19 dE(Ry) = 0.000000000003019 residual = 0.000002889651111
592 … ik = 22 is = 1 idiag = 20 dE(Ry) = 0.000000000015702 residual = 0.000039276272622
593 … ik = 22 is = 1 idiag = 21 dE(Ry) = 0.000000000939401 residual = 0.000170286800710
594 … ik = 22 is = 1 idiag = 22 dE(Ry) = 0.000000000363889 residual = 0.000018423091680
595 … ik = 22 is = 1 idiag = 23 dE(Ry) = 0.000000000003476 residual = 0.000001684980687
596 … ik = 22 is = 1 idiag = 24 dE(Ry) = 0.000000000000070 residual = 0.000000156350999
597 … ik = 22 is = 1 idiag = 25 dE(Ry) = 0.000000000000050 residual = 0.000000089651912
598 … ik = 23 is = 1 idiag = 1 dE(Ry) = 241.552733118622456 residual = 262.779306265082823
599 … ik = 23 is = 1 idiag = 2 dE(Ry) = 53.943236682794407 residual = 70.779484371747259
600 … ik = 23 is = 1 idiag = 3 dE(Ry) = 72.246925522973271 residual = 84.213434697887322
601 … ik = 23 is = 1 idiag = 4 dE(Ry) = 48.234009885991014 residual = 55.688375909299793
602 … ik = 23 is = 1 idiag = 5 dE(Ry) = 30.661804596695745 residual = 35.408134521313706
603 … ik = 23 is = 1 idiag = 6 dE(Ry) = 18.774477407322898 residual = 21.718511449901619
604 … ik = 23 is = 1 idiag = 7 dE(Ry) = 10.797272556526817 residual = 12.477524382976558
605 … ik = 23 is = 1 idiag = 8 dE(Ry) = 6.024473253154262 residual = 8.423700066291747
606 … ik = 23 is = 1 idiag = 9 dE(Ry) = 6.575125387171407 residual = 9.233606708073120
607 … ik = 23 is = 1 idiag = 10 dE(Ry) = 3.434277296044987 residual = 5.507353096721963
608 … ik = 23 is = 1 idiag = 11 dE(Ry) = 1.622444575387179 residual = 2.463222200571868
609 … ik = 23 is = 1 idiag = 12 dE(Ry) = 0.726956103551685 residual = 3.036482095495362
610 … ik = 23 is = 1 idiag = 13 dE(Ry) = 0.308382440158393 residual = 1.027062477789733
611 … ik = 23 is = 1 idiag = 14 dE(Ry) = 0.015889097289584 residual = 0.142167226930479
612 … ik = 23 is = 1 idiag = 15 dE(Ry) = 0.000255937025757 residual = 0.020540196750463
613 … ik = 23 is = 1 idiag = 16 dE(Ry) = 0.000005841676813 residual = 0.002535877487220
614 … ik = 23 is = 1 idiag = 17 dE(Ry) = 0.000000068483744 residual = 0.000216908883914
615 … ik = 23 is = 1 idiag = 18 dE(Ry) = 0.000000000489690 residual = 0.000015705759200
616 … ik = 23 is = 1 idiag = 19 dE(Ry) = 0.000000000002576 residual = 0.000001840375775
617 … ik = 23 is = 1 idiag = 20 dE(Ry) = 0.000000000006669 residual = 0.000024938550102
618 … ik = 23 is = 1 idiag = 21 dE(Ry) = 0.000000000665684 residual = 0.000220309849126
619 … ik = 23 is = 1 idiag = 22 dE(Ry) = 0.000000000859741 residual = 0.000037904255868
620 … ik = 23 is = 1 idiag = 23 dE(Ry) = 0.000000000013844 residual = 0.000003042222242
621 … ik = 23 is = 1 idiag = 24 dE(Ry) = 0.000000000000140 residual = 0.000000233585566
622 … ik = 23 is = 1 idiag = 25 dE(Ry) = 0.000000000000087 residual = 0.000000078593026
623 … ik = 24 is = 1 idiag = 1 dE(Ry) = 241.538862347484127 residual = 262.829055910900081
624 … ik = 24 is = 1 idiag = 2 dE(Ry) = 54.306882796987679 residual = 71.078323266500334
625 … ik = 24 is = 1 idiag = 3 dE(Ry) = 71.616862461962029 residual = 83.528385656254272
626 … ik = 24 is = 1 idiag = 4 dE(Ry) = 48.141905954184139 residual = 55.799445560063639
627 … ik = 24 is = 1 idiag = 5 dE(Ry) = 30.935450300662779 residual = 35.619528084373989
628 … ik = 24 is = 1 idiag = 6 dE(Ry) = 18.570516158111563 residual = 21.468594988189807
629 … ik = 24 is = 1 idiag = 7 dE(Ry) = 10.735263447060916 residual = 12.448778718916037
630 … ik = 24 is = 1 idiag = 8 dE(Ry) = 6.044728782408538 residual = 9.232404863982607
631 … ik = 24 is = 1 idiag = 9 dE(Ry) = 7.024093510882306 residual = 9.386555848234812
632 … ik = 24 is = 1 idiag = 10 dE(Ry) = 3.554542483518160 residual = 5.618965096948438
633 … ik = 24 is = 1 idiag = 11 dE(Ry) = 1.648732114421560 residual = 2.406665600687108
634 … ik = 24 is = 1 idiag = 12 dE(Ry) = 0.715222005509422 residual = 3.496963184388994
635 … ik = 24 is = 1 idiag = 13 dE(Ry) = 0.335100137545236 residual = 1.086210599802722
636 … ik = 24 is = 1 idiag = 14 dE(Ry) = 0.016791090677457 residual = 0.151904778316834
637 … ik = 24 is = 1 idiag = 15 dE(Ry) = 0.000303581572897 residual = 0.018727013316331
638 … ik = 24 is = 1 idiag = 16 dE(Ry) = 0.000004403596515 residual = 0.001993409577820
639 … ik = 24 is = 1 idiag = 17 dE(Ry) = 0.000000044010781 residual = 0.000218460669444
640 … ik = 24 is = 1 idiag = 18 dE(Ry) = 0.000000000497657 residual = 0.000017655087187
641 … ik = 24 is = 1 idiag = 19 dE(Ry) = 0.000000000003222 residual = 0.000002022666053
642 … ik = 24 is = 1 idiag = 20 dE(Ry) = 0.000000000005850 residual = 0.000024459219232
643 … ik = 24 is = 1 idiag = 21 dE(Ry) = 0.000000001422808 residual = 0.000300781714504
644 … ik = 24 is = 1 idiag = 22 dE(Ry) = 0.000000001013240 residual = 0.000034013537310
645 … ik = 24 is = 1 idiag = 23 dE(Ry) = 0.000000000011068 residual = 0.000003107596196
646 … ik = 24 is = 1 idiag = 24 dE(Ry) = 0.000000000000139 residual = 0.000000242115233
647 … ik = 24 is = 1 idiag = 25 dE(Ry) = 0.000000000000066 residual = 0.000000079933906
648 … ik = 25 is = 1 idiag = 1 dE(Ry) = 241.691300474506932 residual = 262.938869166641382
649 … ik = 25 is = 1 idiag = 2 dE(Ry) = 54.274411191642287 residual = 71.117526871961729
650 … ik = 25 is = 1 idiag = 3 dE(Ry) = 71.959408771991633 residual = 83.918021178246960
651 … ik = 25 is = 1 idiag = 4 dE(Ry) = 48.381645623396153 residual = 55.806544659125656
652 … ik = 25 is = 1 idiag = 5 dE(Ry) = 30.766898910413147 residual = 35.647752078524988
653 … ik = 25 is = 1 idiag = 6 dE(Ry) = 18.985542527631861 residual = 21.818837314646196
654 … ik = 25 is = 1 idiag = 7 dE(Ry) = 10.727842045107051 residual = 12.522439828597275
655 … ik = 25 is = 1 idiag = 8 dE(Ry) = 6.327605335551522 residual = 8.931676491436843
656 … ik = 25 is = 1 idiag = 9 dE(Ry) = 6.355123310811785 residual = 8.977179248840550
657 … ik = 25 is = 1 idiag = 10 dE(Ry) = 3.458201949887306 residual = 5.538237022857430
658 … ik = 25 is = 1 idiag = 11 dE(Ry) = 1.701552266431361 residual = 2.506269671937602
659 … ik = 25 is = 1 idiag = 12 dE(Ry) = 0.708828827147377 residual = 3.145646335816184
660 … ik = 25 is = 1 idiag = 13 dE(Ry) = 0.306878826134283 residual = 1.036041393661094
661 … ik = 25 is = 1 idiag = 14 dE(Ry) = 0.015543556763074 residual = 0.138590050676438
662 … ik = 25 is = 1 idiag = 15 dE(Ry) = 0.000243401779706 residual = 0.019321099738677
663 … ik = 25 is = 1 idiag = 16 dE(Ry) = 0.000004787156797 residual = 0.002186072698411
664 … ik = 25 is = 1 idiag = 17 dE(Ry) = 0.000000054790628 residual = 0.000229709896417
665 … ik = 25 is = 1 idiag = 18 dE(Ry) = 0.000000000558703 residual = 0.000017476990016
666 … ik = 25 is = 1 idiag = 19 dE(Ry) = 0.000000000003128 residual = 0.000001194305232
667 … ik = 25 is = 1 idiag = 20 dE(Ry) = 0.000000000000274 residual = 0.000005383049949
668 … ik = 25 is = 1 idiag = 21 dE(Ry) = 0.000000000058914 residual = 0.000091976539146
669 … ik = 25 is = 1 idiag = 22 dE(Ry) = 0.000000002576127 residual = 0.000086212328217
670 … ik = 25 is = 1 idiag = 23 dE(Ry) = 0.000000000071618 residual = 0.000007491954900
671 … ik = 25 is = 1 idiag = 24 dE(Ry) = 0.000000000000518 residual = 0.000000641590708
672 … ik = 25 is = 1 idiag = 25 dE(Ry) = 0.000000000000062 residual = 0.000000092742550
673 … ik = 26 is = 1 idiag = 1 dE(Ry) = 241.553021296088474 residual = 263.013295922082079
674 … ik = 26 is = 1 idiag = 2 dE(Ry) = 54.265540598385542 residual = 71.302749408054538
675 … ik = 26 is = 1 idiag = 3 dE(Ry) = 72.062782365940365 residual = 83.714064069619781
676 … ik = 26 is = 1 idiag = 4 dE(Ry) = 48.065740757627296 residual = 55.829065280323547
677 … ik = 26 is = 1 idiag = 5 dE(Ry) = 30.662618927349641 residual = 35.364691987459814
678 … ik = 26 is = 1 idiag = 6 dE(Ry) = 18.643097908592484 residual = 21.527361763472218
679 … ik = 26 is = 1 idiag = 7 dE(Ry) = 11.111737267848952 residual = 12.788996853035105
680 … ik = 26 is = 1 idiag = 8 dE(Ry) = 5.739544416926309 residual = 7.921240423706101
681 … ik = 26 is = 1 idiag = 9 dE(Ry) = 6.915605046738158 residual = 9.342822756839997
682 … ik = 26 is = 1 idiag = 10 dE(Ry) = 3.462614635495125 residual = 5.551432593795617
683 … ik = 26 is = 1 idiag = 11 dE(Ry) = 2.000479779821171 residual = 2.504491347277198
684 … ik = 26 is = 1 idiag = 12 dE(Ry) = 0.706045172838922 residual = 3.165283139714373
685 … ik = 26 is = 1 idiag = 13 dE(Ry) = 0.320674560500075 residual = 1.107602684000793
686 … ik = 26 is = 1 idiag = 14 dE(Ry) = 0.019042116573153 residual = 0.152571329597687
687 … ik = 26 is = 1 idiag = 15 dE(Ry) = 0.000287744345507 residual = 0.019705146912272
688 … ik = 26 is = 1 idiag = 16 dE(Ry) = 0.000005278673119 residual = 0.002268645113612
689 … ik = 26 is = 1 idiag = 17 dE(Ry) = 0.000000056990755 residual = 0.000211272636041
690 … ik = 26 is = 1 idiag = 18 dE(Ry) = 0.000000000483518 residual = 0.000016703993270
691 … ik = 26 is = 1 idiag = 19 dE(Ry) = 0.000000000002783 residual = 0.000001676184377
692 … ik = 26 is = 1 idiag = 20 dE(Ry) = 0.000000000005435 residual = 0.000022898354474
693 … ik = 26 is = 1 idiag = 21 dE(Ry) = 0.000000000440485 residual = 0.000169116116821
694 … ik = 26 is = 1 idiag = 22 dE(Ry) = 0.000000000496851 residual = 0.000029038838244
695 … ik = 26 is = 1 idiag = 23 dE(Ry) = 0.000000000008277 residual = 0.000002419497590
696 … ik = 26 is = 1 idiag = 24 dE(Ry) = 0.000000000000075 residual = 0.000000204565197
697 … ik = 26 is = 1 idiag = 25 dE(Ry) = 0.000000000000068 residual = 0.000000083770382
698 … ik = 27 is = 1 idiag = 1 dE(Ry) = 242.192884085344957 residual = 263.491372982019527
699 … ik = 27 is = 1 idiag = 2 dE(Ry) = 53.827588754325603 residual = 70.776993062670144
700 … ik = 27 is = 1 idiag = 3 dE(Ry) = 72.122974876798850 residual = 84.077934387578765
701 … ik = 27 is = 1 idiag = 4 dE(Ry) = 48.219330402974862 residual = 55.833737536110569
702 … ik = 27 is = 1 idiag = 5 dE(Ry) = 30.928251925683526 residual = 35.702493197057017
703 … ik = 27 is = 1 idiag = 6 dE(Ry) = 18.673943978907683 residual = 21.536239270645925
704 … ik = 27 is = 1 idiag = 7 dE(Ry) = 10.593278856425373 residual = 12.282818102598799
705 … ik = 27 is = 1 idiag = 8 dE(Ry) = 5.901003579248652 residual = 8.317360099358565
706 … ik = 27 is = 1 idiag = 9 dE(Ry) = 6.587450145986820 residual = 9.279939268229247
707 … ik = 27 is = 1 idiag = 10 dE(Ry) = 3.481687076894961 residual = 5.633100087457072
708 … ik = 27 is = 1 idiag = 11 dE(Ry) = 1.716490266053817 residual = 2.585012826994994
709 … ik = 27 is = 1 idiag = 12 dE(Ry) = 0.714199997458290 residual = 3.429342565028517
710 … ik = 27 is = 1 idiag = 13 dE(Ry) = 0.297586232527550 residual = 1.040946755884604
711 … ik = 27 is = 1 idiag = 14 dE(Ry) = 0.016050168760173 residual = 0.145896318893308
712 … ik = 27 is = 1 idiag = 15 dE(Ry) = 0.000280634664981 residual = 0.017230856064595
713 … ik = 27 is = 1 idiag = 16 dE(Ry) = 0.000003919242678 residual = 0.001900664069541
714 … ik = 27 is = 1 idiag = 17 dE(Ry) = 0.000000040718063 residual = 0.000182277842935
715 … ik = 27 is = 1 idiag = 18 dE(Ry) = 0.000000000355712 residual = 0.000014190294998
716 … ik = 27 is = 1 idiag = 19 dE(Ry) = 0.000000000002036 residual = 0.000001577507322
717 … ik = 27 is = 1 idiag = 20 dE(Ry) = 0.000000000003492 residual = 0.000018135135645
718 … ik = 27 is = 1 idiag = 21 dE(Ry) = 0.000000000753867 residual = 0.000270157712259
719 … ik = 27 is = 1 idiag = 22 dE(Ry) = 0.000000001192728 residual = 0.000039949485318
720 … ik = 27 is = 1 idiag = 23 dE(Ry) = 0.000000000014228 residual = 0.000003698411280
721 … ik = 27 is = 1 idiag = 24 dE(Ry) = 0.000000000000182 residual = 0.000000300644752
722 … ik = 27 is = 1 idiag = 25 dE(Ry) = 0.000000000000072 residual = 0.000000069705095
723 … ik = 28 is = 1 idiag = 1 dE(Ry) = 241.986192931317163 residual = 263.382793899789363
724 … ik = 28 is = 1 idiag = 2 dE(Ry) = 54.112051698957629 residual = 70.880356118721934
725 … ik = 28 is = 1 idiag = 3 dE(Ry) = 71.763087910409382 residual = 83.684932279386345
726 … ik = 28 is = 1 idiag = 4 dE(Ry) = 48.043223996216369 residual = 55.619353731683013
727 … ik = 28 is = 1 idiag = 5 dE(Ry) = 30.743665118941692 residual = 35.504644728170305
728 … ik = 28 is = 1 idiag = 6 dE(Ry) = 18.470210767418344 residual = 21.401575102772597
729 … ik = 28 is = 1 idiag = 7 dE(Ry) = 10.844867377178078 residual = 12.590715095834925
730 … ik = 28 is = 1 idiag = 8 dE(Ry) = 6.130088489634391 residual = 8.975958363869017
731 … ik = 28 is = 1 idiag = 9 dE(Ry) = 6.464466595924596 residual = 8.952577959735180
732 … ik = 28 is = 1 idiag = 10 dE(Ry) = 3.507007954443625 residual = 5.523254926425805
733 … ik = 28 is = 1 idiag = 11 dE(Ry) = 1.823103423493243 residual = 2.565638566188521
734 … ik = 28 is = 1 idiag = 12 dE(Ry) = 0.711333347652438 residual = 3.308995848307651
735 … ik = 28 is = 1 idiag = 13 dE(Ry) = 0.308842998042157 residual = 1.001834045562698
736 … ik = 28 is = 1 idiag = 14 dE(Ry) = 0.014819538570982 residual = 0.141462226812923
737 … ik = 28 is = 1 idiag = 15 dE(Ry) = 0.000262864427783 residual = 0.017234672437035
738 … ik = 28 is = 1 idiag = 16 dE(Ry) = 0.000003613767398 residual = 0.001822035762662
739 … ik = 28 is = 1 idiag = 17 dE(Ry) = 0.000000036940907 residual = 0.000178372046622
740 … ik = 28 is = 1 idiag = 18 dE(Ry) = 0.000000000342926 residual = 0.000014133651363
741 … ik = 28 is = 1 idiag = 19 dE(Ry) = 0.000000000002051 residual = 0.000001976018380
742 … ik = 28 is = 1 idiag = 20 dE(Ry) = 0.000000000006267 residual = 0.000024057976591
743 … ik = 28 is = 1 idiag = 21 dE(Ry) = 0.000000000934100 residual = 0.000248482743753
744 … ik = 28 is = 1 idiag = 22 dE(Ry) = 0.000000000856382 residual = 0.000031048248497
745 … ik = 28 is = 1 idiag = 23 dE(Ry) = 0.000000000009145 residual = 0.000002728128470
746 … ik = 28 is = 1 idiag = 24 dE(Ry) = 0.000000000000110 residual = 0.000000231416729
747 … ik = 28 is = 1 idiag = 25 dE(Ry) = 0.000000000000054 residual = 0.000000071148888
748 … ik = 29 is = 1 idiag = 1 dE(Ry) = 241.799256264021182 residual = 262.968994384490998
749 … ik = 29 is = 1 idiag = 2 dE(Ry) = 54.048456995959157 residual = 70.933328463419912
750 … ik = 29 is = 1 idiag = 3 dE(Ry) = 72.287507992811300 residual = 84.008548816553770
751 … ik = 29 is = 1 idiag = 4 dE(Ry) = 48.096019196561258 residual = 55.803520114461193
752 … ik = 29 is = 1 idiag = 5 dE(Ry) = 30.837790162808233 residual = 35.402656243958369
753 … ik = 29 is = 1 idiag = 6 dE(Ry) = 18.804094877314760 residual = 21.810834534510082
754 … ik = 29 is = 1 idiag = 7 dE(Ry) = 10.689995266432565 residual = 12.384044322336292
755 … ik = 29 is = 1 idiag = 8 dE(Ry) = 5.737692014100142 residual = 8.065639364238882
756 … ik = 29 is = 1 idiag = 9 dE(Ry) = 6.558829766319352 residual = 9.219892040676832
757 … ik = 29 is = 1 idiag = 10 dE(Ry) = 3.430183061175624 residual = 5.655536822634732
758 … ik = 29 is = 1 idiag = 11 dE(Ry) = 1.907836618734065 residual = 2.518794267444895
759 … ik = 29 is = 1 idiag = 12 dE(Ry) = 0.700481079628287 residual = 3.227484381148384
760 … ik = 29 is = 1 idiag = 13 dE(Ry) = 0.315498368554994 residual = 1.107185133375963
761 … ik = 29 is = 1 idiag = 14 dE(Ry) = 0.019135524865262 residual = 0.149183754181571
762 … ik = 29 is = 1 idiag = 15 dE(Ry) = 0.000272970971621 residual = 0.019442862716706
763 … ik = 29 is = 1 idiag = 16 dE(Ry) = 0.000004973034839 residual = 0.002301785194492
764 … ik = 29 is = 1 idiag = 17 dE(Ry) = 0.000000053094957 residual = 0.000215226067771
765 … ik = 29 is = 1 idiag = 18 dE(Ry) = 0.000000000503439 residual = 0.000015846358518
766 … ik = 29 is = 1 idiag = 19 dE(Ry) = 0.000000000002661 residual = 0.000001076739439
767 … ik = 29 is = 1 idiag = 20 dE(Ry) = 0.000000000000998 residual = 0.000009866942136
768 … ik = 29 is = 1 idiag = 21 dE(Ry) = 0.000000000260159 residual = 0.000194343819934
769 … ik = 29 is = 1 idiag = 22 dE(Ry) = 0.000000001865557 residual = 0.000060458192926
770 … ik = 29 is = 1 idiag = 23 dE(Ry) = 0.000000000033979 residual = 0.000005550367097
771 … ik = 29 is = 1 idiag = 24 dE(Ry) = 0.000000000000327 residual = 0.000000487856881
772 … ik = 29 is = 1 idiag = 25 dE(Ry) = 0.000000000000054 residual = 0.000000073406047
773 … ik = 30 is = 1 idiag = 1 dE(Ry) = 241.763668272085795 residual = 263.069281229643423
774 … ik = 30 is = 1 idiag = 2 dE(Ry) = 54.020258152756355 residual = 70.800015249386973
775 … ik = 30 is = 1 idiag = 3 dE(Ry) = 71.991624526051794 residual = 84.016603013965266
776 … ik = 30 is = 1 idiag = 4 dE(Ry) = 48.198973465497104 residual = 55.787439839806787
777 … ik = 30 is = 1 idiag = 5 dE(Ry) = 30.653018830371892 residual = 35.455704228512253
778 … ik = 30 is = 1 idiag = 6 dE(Ry) = 18.615428353931922 residual = 21.526804024361766
779 … ik = 30 is = 1 idiag = 7 dE(Ry) = 10.851953047932071 residual = 12.548829001496951
780 … ik = 30 is = 1 idiag = 8 dE(Ry) = 6.577268202681968 residual = 9.685054939593895
781 … ik = 30 is = 1 idiag = 9 dE(Ry) = 6.427535329755115 residual = 9.055806257323509
782 … ik = 30 is = 1 idiag = 10 dE(Ry) = 3.495992092735782 residual = 5.470065627492825
783 … ik = 30 is = 1 idiag = 11 dE(Ry) = 1.560739504845750 residual = 2.547549301821902
784 … ik = 30 is = 1 idiag = 12 dE(Ry) = 0.699162081010713 residual = 3.207482293566335
785 … ik = 30 is = 1 idiag = 13 dE(Ry) = 0.294412469126813 residual = 0.988695771304954
786 … ik = 30 is = 1 idiag = 14 dE(Ry) = 0.013777805673281 residual = 0.127075456816445
787 … ik = 30 is = 1 idiag = 15 dE(Ry) = 0.000221866406727 residual = 0.018468648334285
788 … ik = 30 is = 1 idiag = 16 dE(Ry) = 0.000004369069578 residual = 0.002144672590906
789 … ik = 30 is = 1 idiag = 17 dE(Ry) = 0.000000049708602 residual = 0.000197808528948
790 … ik = 30 is = 1 idiag = 18 dE(Ry) = 0.000000000420119 residual = 0.000014391480600
791 … ik = 30 is = 1 idiag = 19 dE(Ry) = 0.000000000002320 residual = 0.000001096072140
792 … ik = 30 is = 1 idiag = 20 dE(Ry) = 0.000000000001001 residual = 0.000009881561761
793 … ik = 30 is = 1 idiag = 21 dE(Ry) = 0.000000000119877 residual = 0.000095022500358
794 … ik = 30 is = 1 idiag = 22 dE(Ry) = 0.000000000297669 residual = 0.000028902594948
795 … ik = 30 is = 1 idiag = 23 dE(Ry) = 0.000000000008291 residual = 0.000002644829857
796 … ik = 30 is = 1 idiag = 24 dE(Ry) = 0.000000000000109 residual = 0.000000233375020
797 … ik = 30 is = 1 idiag = 25 dE(Ry) = 0.000000000000062 residual = 0.000000078941713
798 … ik = 31 is = 1 idiag = 1 dE(Ry) = 241.624788111785222 residual = 262.814709965811858
799 … ik = 31 is = 1 idiag = 2 dE(Ry) = 54.114713009613638 residual = 70.894709903796013
800 … ik = 31 is = 1 idiag = 3 dE(Ry) = 71.672323070329497 residual = 83.549011356701641
801 … ik = 31 is = 1 idiag = 4 dE(Ry) = 48.282631139283183 residual = 55.948445561539302
802 … ik = 31 is = 1 idiag = 5 dE(Ry) = 30.726563244956409 residual = 35.518319717251636
803 … ik = 31 is = 1 idiag = 6 dE(Ry) = 18.578625357460631 residual = 21.473519328223865
804 … ik = 31 is = 1 idiag = 7 dE(Ry) = 10.814292550052574 residual = 12.575493242638945
805 … ik = 31 is = 1 idiag = 8 dE(Ry) = 6.411463158968171 residual = 9.239046014046595
806 … ik = 31 is = 1 idiag = 9 dE(Ry) = 6.626322973670321 residual = 9.206685329587129
807 … ik = 31 is = 1 idiag = 10 dE(Ry) = 3.466825696874607 residual = 5.517552271536431
808 … ik = 31 is = 1 idiag = 11 dE(Ry) = 1.725480961367307 residual = 2.564991946508069
809 … ik = 31 is = 1 idiag = 12 dE(Ry) = 0.695620092447941 residual = 3.336629289068881
810 … ik = 31 is = 1 idiag = 13 dE(Ry) = 0.344708946595708 residual = 1.243551819774701
811 … ik = 31 is = 1 idiag = 14 dE(Ry) = 0.025898101583532 residual = 0.189187483153898
812 … ik = 31 is = 1 idiag = 15 dE(Ry) = 0.000451580380932 residual = 0.022369685484097
813 … ik = 31 is = 1 idiag = 16 dE(Ry) = 0.000007205095623 residual = 0.002678407402614
814 … ik = 31 is = 1 idiag = 17 dE(Ry) = 0.000000084013739 residual = 0.000239632761100
815 … ik = 31 is = 1 idiag = 18 dE(Ry) = 0.000000000628460 residual = 0.000018993283690
816 … ik = 31 is = 1 idiag = 19 dE(Ry) = 0.000000000003819 residual = 0.000001271866671
817 … ik = 31 is = 1 idiag = 20 dE(Ry) = 0.000000000000447 residual = 0.000006366402658
818 … ik = 31 is = 1 idiag = 21 dE(Ry) = 0.000000000074769 residual = 0.000104248475009
819 … ik = 31 is = 1 idiag = 22 dE(Ry) = 0.000000002144683 residual = 0.000080793458686
820 … ik = 31 is = 1 idiag = 23 dE(Ry) = 0.000000000063086 residual = 0.000007386587009
821 … ik = 31 is = 1 idiag = 24 dE(Ry) = 0.000000000000502 residual = 0.000000628475861
822 … ik = 31 is = 1 idiag = 25 dE(Ry) = 0.000000000000072 residual = 0.000000097614805
823 … ik = 32 is = 1 idiag = 1 dE(Ry) = 241.654872309873667 residual = 262.943480799088945
824 … ik = 32 is = 1 idiag = 2 dE(Ry) = 54.129212547926585 residual = 70.990705402162391
825 … ik = 32 is = 1 idiag = 3 dE(Ry) = 72.383477264283727 residual = 84.167337427325066
826 … ik = 32 is = 1 idiag = 4 dE(Ry) = 48.044734004987731 residual = 55.620553720892808
827 … ik = 32 is = 1 idiag = 5 dE(Ry) = 30.568703816620499 residual = 35.266665058411277
828 … ik = 32 is = 1 idiag = 6 dE(Ry) = 18.689407667126478 residual = 21.561711960460919
829 … ik = 32 is = 1 idiag = 7 dE(Ry) = 10.645453999260754 residual = 12.393525176502063
830 … ik = 32 is = 1 idiag = 8 dE(Ry) = 6.453269478200782 residual = 9.609070983607046
831 … ik = 32 is = 1 idiag = 9 dE(Ry) = 6.640084942641195 residual = 9.217832306128233
832 … ik = 32 is = 1 idiag = 10 dE(Ry) = 3.489744406340048 residual = 5.559917811132580
833 … ik = 32 is = 1 idiag = 11 dE(Ry) = 1.995786058025258 residual = 2.680772910063021
834 … ik = 32 is = 1 idiag = 12 dE(Ry) = 0.715525867374103 residual = 3.465931384415255
835 … ik = 32 is = 1 idiag = 13 dE(Ry) = 0.352599856998955 residual = 1.126238377007443
836 … ik = 32 is = 1 idiag = 14 dE(Ry) = 0.019892452849570 residual = 0.158108835924878
837 … ik = 32 is = 1 idiag = 15 dE(Ry) = 0.000356977399710 residual = 0.022332058029726
838 … ik = 32 is = 1 idiag = 16 dE(Ry) = 0.000006944568330 residual = 0.002469452045410
839 … ik = 32 is = 1 idiag = 17 dE(Ry) = 0.000000067747168 residual = 0.000258235766343
840 … ik = 32 is = 1 idiag = 18 dE(Ry) = 0.000000000744390 residual = 0.000021700920706
841 … ik = 32 is = 1 idiag = 19 dE(Ry) = 0.000000000004777 residual = 0.000001713670637
842 … ik = 32 is = 1 idiag = 20 dE(Ry) = 0.000000000004788 residual = 0.000021425637230
843 … ik = 32 is = 1 idiag = 21 dE(Ry) = 0.000000000451195 residual = 0.000146314699298
844 … ik = 32 is = 1 idiag = 22 dE(Ry) = 0.000000000343731 residual = 0.000020554889906
845 … ik = 32 is = 1 idiag = 23 dE(Ry) = 0.000000000004252 residual = 0.000001882367068
846 … ik = 32 is = 1 idiag = 24 dE(Ry) = 0.000000000000062 residual = 0.000000169273991
847 … ik = 32 is = 1 idiag = 25 dE(Ry) = 0.000000000000052 residual = 0.000000087501647
848 … ik = 33 is = 1 idiag = 1 dE(Ry) = 241.502527223029745 residual = 262.769876638092228
849 … ik = 33 is = 1 idiag = 2 dE(Ry) = 53.961465987650911 residual = 70.804664485270592
850 … ik = 33 is = 1 idiag = 3 dE(Ry) = 71.844818166704130 residual = 83.791596224012039
851 … ik = 33 is = 1 idiag = 4 dE(Ry) = 48.257551253942566 residual = 55.677955531655350
852 … ik = 33 is = 1 idiag = 5 dE(Ry) = 30.603460542409366 residual = 35.349762153188394
853 … ik = 33 is = 1 idiag = 6 dE(Ry) = 18.594737139922238 residual = 21.470916892442304
854 … ik = 33 is = 1 idiag = 7 dE(Ry) = 10.642930860679625 residual = 12.487267763962883
855 … ik = 33 is = 1 idiag = 8 dE(Ry) = 6.283908447542569 residual = 9.102659555736139
856 … ik = 33 is = 1 idiag = 9 dE(Ry) = 6.104366461411824 residual = 8.841674017597356
857 … ik = 33 is = 1 idiag = 10 dE(Ry) = 3.415420476729894 residual = 5.514906732869392
858 … ik = 33 is = 1 idiag = 11 dE(Ry) = 1.726424168313119 residual = 2.650562580347776
859 … ik = 33 is = 1 idiag = 12 dE(Ry) = 0.735148041072194 residual = 3.394908014733396
860 … ik = 33 is = 1 idiag = 13 dE(Ry) = 0.297100528745347 residual = 1.030017655524341
861 … ik = 33 is = 1 idiag = 14 dE(Ry) = 0.016293184422109 residual = 0.138064695023682
862 … ik = 33 is = 1 idiag = 15 dE(Ry) = 0.000258582626467 residual = 0.016095072832531
863 … ik = 33 is = 1 idiag = 16 dE(Ry) = 0.000003498776482 residual = 0.001815595829170
864 … ik = 33 is = 1 idiag = 17 dE(Ry) = 0.000000039332442 residual = 0.000170182986480
865 … ik = 33 is = 1 idiag = 18 dE(Ry) = 0.000000000317015 residual = 0.000013736774432
866 … ik = 33 is = 1 idiag = 19 dE(Ry) = 0.000000000002016 residual = 0.000001774500710
867 … ik = 33 is = 1 idiag = 20 dE(Ry) = 0.000000000005468 residual = 0.000022833776073
868 … ik = 33 is = 1 idiag = 21 dE(Ry) = 0.000000000423718 residual = 0.000134510647252
869 … ik = 33 is = 1 idiag = 22 dE(Ry) = 0.000000000275936 residual = 0.000020471040260
870 … ik = 33 is = 1 idiag = 23 dE(Ry) = 0.000000000003965 residual = 0.000001784386294
871 … ik = 33 is = 1 idiag = 24 dE(Ry) = 0.000000000000046 residual = 0.000000151886528
872 … ik = 33 is = 1 idiag = 25 dE(Ry) = 0.000000000000061 residual = 0.000000071376807
873 … ik = 34 is = 1 idiag = 1 dE(Ry) = 241.701788175176091 residual = 263.159417747389796
874 … ik = 34 is = 1 idiag = 2 dE(Ry) = 54.017510265444287 residual = 70.679855945048445
875 … ik = 34 is = 1 idiag = 3 dE(Ry) = 71.800759829763535 residual = 83.806123600965535
876 … ik = 34 is = 1 idiag = 4 dE(Ry) = 48.139450829238200 residual = 55.683963700831193
877 … ik = 34 is = 1 idiag = 5 dE(Ry) = 30.835624985111380 residual = 35.512011538047894
878 … ik = 34 is = 1 idiag = 6 dE(Ry) = 18.696774634978809 residual = 21.624451200462225
879 … ik = 34 is = 1 idiag = 7 dE(Ry) = 10.792083800071177 residual = 12.577416335903481
880 … ik = 34 is = 1 idiag = 8 dE(Ry) = 6.062117917650388 residual = 9.042047636592551
881 … ik = 34 is = 1 idiag = 9 dE(Ry) = 6.625598418572346 residual = 9.242304783668661
882 … ik = 34 is = 1 idiag = 10 dE(Ry) = 3.485729497765754 residual = 5.509409869509658
883 … ik = 34 is = 1 idiag = 11 dE(Ry) = 1.978680181987965 residual = 2.489832243860481
884 … ik = 34 is = 1 idiag = 12 dE(Ry) = 0.698123677161298 residual = 3.235412461758639
885 … ik = 34 is = 1 idiag = 13 dE(Ry) = 0.354081312240932 residual = 1.158049993877278
886 … ik = 34 is = 1 idiag = 14 dE(Ry) = 0.019461959970287 residual = 0.161159196736094
887 … ik = 34 is = 1 idiag = 15 dE(Ry) = 0.000336078470577 residual = 0.018941313061661
888 … ik = 34 is = 1 idiag = 16 dE(Ry) = 0.000004336790585 residual = 0.001987762551622
889 … ik = 34 is = 1 idiag = 17 dE(Ry) = 0.000000043375214 residual = 0.000186109644112
890 … ik = 34 is = 1 idiag = 18 dE(Ry) = 0.000000000383275 residual = 0.000014819111271
891 … ik = 34 is = 1 idiag = 19 dE(Ry) = 0.000000000002199 residual = 0.000001908430401
892 … ik = 34 is = 1 idiag = 20 dE(Ry) = 0.000000000005391 residual = 0.000022767974177
893 … ik = 34 is = 1 idiag = 21 dE(Ry) = 0.000000000334707 residual = 0.000119479286218
894 … ik = 34 is = 1 idiag = 22 dE(Ry) = 0.000000000197034 residual = 0.000015962224130
895 … ik = 34 is = 1 idiag = 23 dE(Ry) = 0.000000000002543 residual = 0.000001455718689
896 … ik = 34 is = 1 idiag = 24 dE(Ry) = 0.000000000000066 residual = 0.000000125582939
897 … ik = 34 is = 1 idiag = 25 dE(Ry) = 0.000000000000065 residual = 0.000000075214274
898 … ik = 35 is = 1 idiag = 1 dE(Ry) = 241.563949145255378 residual = 262.865141500099583
899 … ik = 35 is = 1 idiag = 2 dE(Ry) = 54.259563944874714 residual = 70.966509316875104
900 … ik = 35 is = 1 idiag = 3 dE(Ry) = 72.127856324328604 residual = 83.950736126520852
901 … ik = 35 is = 1 idiag = 4 dE(Ry) = 47.939857255860389 residual = 55.398055365233233
902 … ik = 35 is = 1 idiag = 5 dE(Ry) = 30.759066591857163 residual = 35.444693547333934
903 … ik = 35 is = 1 idiag = 6 dE(Ry) = 18.536138189476056 residual = 21.405074156681565
904 … ik = 35 is = 1 idiag = 7 dE(Ry) = 10.767948941325740 residual = 12.633313352653550
905 … ik = 35 is = 1 idiag = 8 dE(Ry) = 6.551056970641771 residual = 9.830624604170113
906 … ik = 35 is = 1 idiag = 9 dE(Ry) = 6.416023900705988 residual = 8.975614105293790
907 … ik = 35 is = 1 idiag = 10 dE(Ry) = 3.608548989169787 residual = 5.653595480963063
908 … ik = 35 is = 1 idiag = 11 dE(Ry) = 1.728909782421855 residual = 2.502935310877019
909 … ik = 35 is = 1 idiag = 12 dE(Ry) = 0.685205423361800 residual = 3.378393533707533
910 … ik = 35 is = 1 idiag = 13 dE(Ry) = 0.323144285926777 residual = 1.019762702876651
911 … ik = 35 is = 1 idiag = 14 dE(Ry) = 0.015192979057280 residual = 0.149987611884952
912 … ik = 35 is = 1 idiag = 15 dE(Ry) = 0.000335101169575 residual = 0.021350355069422
913 … ik = 35 is = 1 idiag = 16 dE(Ry) = 0.000006226989120 residual = 0.002492029714402
914 … ik = 35 is = 1 idiag = 17 dE(Ry) = 0.000000069556334 residual = 0.000217877684229
915 … ik = 35 is = 1 idiag = 18 dE(Ry) = 0.000000000516959 residual = 0.000016334881964
916 … ik = 35 is = 1 idiag = 19 dE(Ry) = 0.000000000002833 residual = 0.000001153325640
917 … ik = 35 is = 1 idiag = 20 dE(Ry) = 0.000000000000431 residual = 0.000006432420471
918 … ik = 35 is = 1 idiag = 21 dE(Ry) = 0.000000000043158 residual = 0.000058010746825
919 … ik = 35 is = 1 idiag = 22 dE(Ry) = 0.000000000102297 residual = 0.000018322126999
920 … ik = 35 is = 1 idiag = 23 dE(Ry) = 0.000000000003264 residual = 0.000001713439727
921 … ik = 35 is = 1 idiag = 24 dE(Ry) = 0.000000000000077 residual = 0.000000138040721
922 … ik = 35 is = 1 idiag = 25 dE(Ry) = 0.000000000000055 residual = 0.000000079323287
923 … ik = 36 is = 1 idiag = 1 dE(Ry) = 241.568589393957183 residual = 262.838912163470638
924 … ik = 36 is = 1 idiag = 2 dE(Ry) = 54.275090671243277 residual = 70.939452613747648
925 … ik = 36 is = 1 idiag = 3 dE(Ry) = 71.548233400642971 residual = 83.604567041791526
926 … ik = 36 is = 1 idiag = 4 dE(Ry) = 48.172814935685508 residual = 55.762909033506837
927 … ik = 36 is = 1 idiag = 5 dE(Ry) = 30.800855692407509 residual = 35.569034112701566
928 … ik = 36 is = 1 idiag = 6 dE(Ry) = 18.646944671793932 residual = 21.629285356920438
929 … ik = 36 is = 1 idiag = 7 dE(Ry) = 10.849027083569847 residual = 12.663389355378937
930 … ik = 36 is = 1 idiag = 8 dE(Ry) = 5.753621369048798 residual = 8.223411187248315
931 … ik = 36 is = 1 idiag = 9 dE(Ry) = 7.128486338283121 residual = 9.558192515893898
932 … ik = 36 is = 1 idiag = 10 dE(Ry) = 3.499817171227629 residual = 5.538463256398535
933 … ik = 36 is = 1 idiag = 11 dE(Ry) = 1.715564729246729 residual = 2.545831797428420
934 … ik = 36 is = 1 idiag = 12 dE(Ry) = 0.746447082545507 residual = 3.322578902980341
935 … ik = 36 is = 1 idiag = 13 dE(Ry) = 0.262601207657054 residual = 0.870238435012226
936 … ik = 36 is = 1 idiag = 14 dE(Ry) = 0.010174405371633 residual = 0.128050239262060
937 … ik = 36 is = 1 idiag = 15 dE(Ry) = 0.000242235080123 residual = 0.018190516501935
938 … ik = 36 is = 1 idiag = 16 dE(Ry) = 0.000004563089510 residual = 0.002161145428631
939 … ik = 36 is = 1 idiag = 17 dE(Ry) = 0.000000050356136 residual = 0.000191089695308
940 … ik = 36 is = 1 idiag = 18 dE(Ry) = 0.000000000389336 residual = 0.000013994973569
941 … ik = 36 is = 1 idiag = 19 dE(Ry) = 0.000000000002087 residual = 0.000001635485909
942 … ik = 36 is = 1 idiag = 20 dE(Ry) = 0.000000000004054 residual = 0.000019475401518
943 … ik = 36 is = 1 idiag = 21 dE(Ry) = 0.000000000604586 residual = 0.000229903669838
944 … ik = 36 is = 1 idiag = 22 dE(Ry) = 0.000000001049801 residual = 0.000038354181391
945 … ik = 36 is = 1 idiag = 23 dE(Ry) = 0.000000000014657 residual = 0.000003457542502
946 … ik = 36 is = 1 idiag = 24 dE(Ry) = 0.000000000000100 residual = 0.000000313449493
947 … ik = 36 is = 1 idiag = 25 dE(Ry) = 0.000000000000066 residual = 0.000000067601939
948 … ik = 37 is = 1 idiag = 1 dE(Ry) = 241.737680915741379 residual = 263.096797610789451
949 … ik = 37 is = 1 idiag = 2 dE(Ry) = 54.071220134093579 residual = 70.774159429647028
950 … ik = 37 is = 1 idiag = 3 dE(Ry) = 71.867234387356831 residual = 83.742449867848819
951 … ik = 37 is = 1 idiag = 4 dE(Ry) = 48.094115236635830 residual = 55.835312775814074
952 … ik = 37 is = 1 idiag = 5 dE(Ry) = 30.955653178403367 residual = 35.547369008466610
953 … ik = 37 is = 1 idiag = 6 dE(Ry) = 18.543317187626958 residual = 21.389444443645342
954 … ik = 37 is = 1 idiag = 7 dE(Ry) = 10.808255412150883 residual = 12.554908341786112
955 … ik = 37 is = 1 idiag = 8 dE(Ry) = 5.996127887551840 residual = 8.793807225593856
956 … ik = 37 is = 1 idiag = 9 dE(Ry) = 6.644348837255464 residual = 9.164256392576853
957 … ik = 37 is = 1 idiag = 10 dE(Ry) = 3.479926158600206 residual = 5.643219713232193
958 … ik = 37 is = 1 idiag = 11 dE(Ry) = 1.558854674408795 residual = 2.534861934918673
959 … ik = 37 is = 1 idiag = 12 dE(Ry) = 0.686116862092337 residual = 3.469871425396054
960 … ik = 37 is = 1 idiag = 13 dE(Ry) = 0.352212097503015 residual = 0.974347850281342
961 … ik = 37 is = 1 idiag = 14 dE(Ry) = 0.014059089185022 residual = 0.132304179577909
962 … ik = 37 is = 1 idiag = 15 dE(Ry) = 0.000236616985795 residual = 0.019112350747657
963 … ik = 37 is = 1 idiag = 16 dE(Ry) = 0.000004878915703 residual = 0.002296777187026
964 … ik = 37 is = 1 idiag = 17 dE(Ry) = 0.000000054063202 residual = 0.000211412505245
965 … ik = 37 is = 1 idiag = 18 dE(Ry) = 0.000000000476440 residual = 0.000015851359520
966 … ik = 37 is = 1 idiag = 19 dE(Ry) = 0.000000000002617 residual = 0.000001072708070
967 … ik = 37 is = 1 idiag = 20 dE(Ry) = 0.000000000000377 residual = 0.000005985024739
968 … ik = 37 is = 1 idiag = 21 dE(Ry) = 0.000000000093250 residual = 0.000114644721099
969 … ik = 37 is = 1 idiag = 22 dE(Ry) = 0.000000002303545 residual = 0.000069710224634
970 … ik = 37 is = 1 idiag = 23 dE(Ry) = 0.000000000048166 residual = 0.000006547351432
971 … ik = 37 is = 1 idiag = 24 dE(Ry) = 0.000000000000452 residual = 0.000000612966541
972 … ik = 37 is = 1 idiag = 25 dE(Ry) = 0.000000000000071 residual = 0.000000078014381
973 … ik = 38 is = 1 idiag = 1 dE(Ry) = 241.694391321640239 residual = 263.121740827604128
974 … ik = 38 is = 1 idiag = 2 dE(Ry) = 53.852434856198983 residual = 70.683644780593866
975 … ik = 38 is = 1 idiag = 3 dE(Ry) = 71.841034498832613 residual = 83.540979760644930
976 … ik = 38 is = 1 idiag = 4 dE(Ry) = 48.172637634214311 residual = 55.845138865259784
977 … ik = 38 is = 1 idiag = 5 dE(Ry) = 30.717624179982380 residual = 35.427903117055600
978 … ik = 38 is = 1 idiag = 6 dE(Ry) = 18.529162821236270 residual = 21.409764884058877
979 … ik = 38 is = 1 idiag = 7 dE(Ry) = 10.871243636653222 residual = 12.710271852815129
980 … ik = 38 is = 1 idiag = 8 dE(Ry) = 5.941648926007998 residual = 8.572818894975574
981 … ik = 38 is = 1 idiag = 9 dE(Ry) = 6.846268441118301 residual = 9.206215863845111
982 … ik = 38 is = 1 idiag = 10 dE(Ry) = 3.454743650838132 residual = 5.523212579303438
983 … ik = 38 is = 1 idiag = 11 dE(Ry) = 1.669639733060549 residual = 2.605837134274607
984 … ik = 38 is = 1 idiag = 12 dE(Ry) = 0.771923158489183 residual = 3.219666421713419
985 … ik = 38 is = 1 idiag = 13 dE(Ry) = 0.329377473006952 residual = 0.952527321280033
986 … ik = 38 is = 1 idiag = 14 dE(Ry) = 0.013564569543138 residual = 0.129944946264783
987 … ik = 38 is = 1 idiag = 15 dE(Ry) = 0.000253107746549 residual = 0.017375576585315
988 … ik = 38 is = 1 idiag = 16 dE(Ry) = 0.000003933343916 residual = 0.001997017833962
989 … ik = 38 is = 1 idiag = 17 dE(Ry) = 0.000000043699579 residual = 0.000189464728953
990 … ik = 38 is = 1 idiag = 18 dE(Ry) = 0.000000000371902 residual = 0.000014827092629
991 … ik = 38 is = 1 idiag = 19 dE(Ry) = 0.000000000002249 residual = 0.000001055391736
992 … ik = 38 is = 1 idiag = 20 dE(Ry) = 0.000000000000066 residual = 0.000000560375110
993 … ik = 38 is = 1 idiag = 21 dE(Ry) = 0.000000000000298 residual = 0.000005963302944
994 … ik = 38 is = 1 idiag = 22 dE(Ry) = 0.000000000011811 residual = 0.000021117772161
995 … ik = 38 is = 1 idiag = 23 dE(Ry) = 0.000000000006433 residual = 0.000002765895787
996 … ik = 38 is = 1 idiag = 24 dE(Ry) = 0.000000000000107 residual = 0.000000241118917
997 … ik = 38 is = 1 idiag = 25 dE(Ry) = 0.000000000000070 residual = 0.000000075451843
998 … ik = 39 is = 1 idiag = 1 dE(Ry) = 241.411474026164882 residual = 262.611504457958972
999 … ik = 39 is = 1 idiag = 2 dE(Ry) = 54.091237048856158 residual = 70.934031881547682
1000 … ik = 39 is = 1 idiag = 3 dE(Ry) = 72.050934120623054 residual = 83.832955072544877
1001 … ik = 39 is = 1 idiag = 4 dE(Ry) = 48.027740659426840 residual = 55.547638651357566
1002 … ik = 39 is = 1 idiag = 5 dE(Ry) = 31.098199075796380 residual = 35.853599079648006
1003 … ik = 39 is = 1 idiag = 6 dE(Ry) = 18.528867445156557 residual = 21.424819715841512
1004 … ik = 39 is = 1 idiag = 7 dE(Ry) = 10.853138610888534 residual = 12.575631103085355
1005 … ik = 39 is = 1 idiag = 8 dE(Ry) = 6.384470490483732 residual = 9.609422310547108
1006 … ik = 39 is = 1 idiag = 9 dE(Ry) = 6.418259445246219 residual = 8.819212797729829
1007 … ik = 39 is = 1 idiag = 10 dE(Ry) = 3.495684245016061 residual = 5.523321118527684
1008 … ik = 39 is = 1 idiag = 11 dE(Ry) = 1.964612647156215 residual = 2.720020942542708
1009 … ik = 39 is = 1 idiag = 12 dE(Ry) = 0.717102607178416 residual = 3.359655211492234
1010 … ik = 39 is = 1 idiag = 13 dE(Ry) = 0.335156375643180 residual = 1.036345102250907
1011 … ik = 39 is = 1 idiag = 14 dE(Ry) = 0.016446515770371 residual = 0.142170282874062
1012 … ik = 39 is = 1 idiag = 15 dE(Ry) = 0.000283031785836 residual = 0.019472571890562
1013 … ik = 39 is = 1 idiag = 16 dE(Ry) = 0.000005379565639 residual = 0.002323818136650
1014 … ik = 39 is = 1 idiag = 17 dE(Ry) = 0.000000061368578 residual = 0.000218679089410
1015 … ik = 39 is = 1 idiag = 18 dE(Ry) = 0.000000000509671 residual = 0.000017945309153
1016 … ik = 39 is = 1 idiag = 19 dE(Ry) = 0.000000000003257 residual = 0.000001611946816
1017 … ik = 39 is = 1 idiag = 20 dE(Ry) = 0.000000000004533 residual = 0.000020961509822
1018 … ik = 39 is = 1 idiag = 21 dE(Ry) = 0.000000000397702 residual = 0.000160392732267
1019 … ik = 39 is = 1 idiag = 22 dE(Ry) = 0.000000000468900 residual = 0.000027706945825
1020 … ik = 39 is = 1 idiag = 23 dE(Ry) = 0.000000000007200 residual = 0.000002306212876
1021 … ik = 39 is = 1 idiag = 24 dE(Ry) = 0.000000000000076 residual = 0.000000197217747
1022 … ik = 39 is = 1 idiag = 25 dE(Ry) = 0.000000000000059 residual = 0.000000091910770
1023 … ik = 40 is = 1 idiag = 1 dE(Ry) = 241.929027807484403 residual = 263.205959742356413
1024 … ik = 40 is = 1 idiag = 2 dE(Ry) = 54.077715402426691 residual = 70.777006320950349
1025 … ik = 40 is = 1 idiag = 3 dE(Ry) = 71.986364942182291 residual = 83.787126699659936
1026 … ik = 40 is = 1 idiag = 4 dE(Ry) = 48.231949990949929 residual = 55.825496980401560
1027 … ik = 40 is = 1 idiag = 5 dE(Ry) = 30.894751621723941 residual = 35.512964693351570
1028 … ik = 40 is = 1 idiag = 6 dE(Ry) = 18.387417833172929 residual = 21.390913473173882
1029 … ik = 40 is = 1 idiag = 7 dE(Ry) = 10.802893086236645 residual = 12.638398392154032
1030 … ik = 40 is = 1 idiag = 8 dE(Ry) = 5.827900799607237 residual = 8.531088108062024
1031 … ik = 40 is = 1 idiag = 9 dE(Ry) = 6.415374606029975 residual = 8.959159754910301
1032 … ik = 40 is = 1 idiag = 10 dE(Ry) = 3.471377830052162 residual = 5.637484558308858
1033 … ik = 40 is = 1 idiag = 11 dE(Ry) = 1.638454014985976 residual = 2.724303397305751
1034 … ik = 40 is = 1 idiag = 12 dE(Ry) = 0.729619901867617 residual = 3.501483278872756
1035 … ik = 40 is = 1 idiag = 13 dE(Ry) = 0.323926372778628 residual = 1.069208708638526
1036 … ik = 40 is = 1 idiag = 14 dE(Ry) = 0.015636670828507 residual = 0.139798922477236
1037 … ik = 40 is = 1 idiag = 15 dE(Ry) = 0.000270767995542 residual = 0.018505778304473
1038 … ik = 40 is = 1 idiag = 16 dE(Ry) = 0.000004064016079 residual = 0.001918740125778
1039 … ik = 40 is = 1 idiag = 17 dE(Ry) = 0.000000041676738 residual = 0.000180123583842
1040 … ik = 40 is = 1 idiag = 18 dE(Ry) = 0.000000000335727 residual = 0.000014914693267
1041 … ik = 40 is = 1 idiag = 19 dE(Ry) = 0.000000000002272 residual = 0.000001097000820
1042 … ik = 40 is = 1 idiag = 20 dE(Ry) = 0.000000000000257 residual = 0.000004632324408
1043 … ik = 40 is = 1 idiag = 21 dE(Ry) = 0.000000000036285 residual = 0.000063222300919
1044 … ik = 40 is = 1 idiag = 22 dE(Ry) = 0.000000001886627 residual = 0.000132401036662
1045 … ik = 40 is = 1 idiag = 23 dE(Ry) = 0.000000000173733 residual = 0.000012004397955
1046 … ik = 40 is = 1 idiag = 24 dE(Ry) = 0.000000000001390 residual = 0.000001099676781
1047 … ik = 40 is = 1 idiag = 25 dE(Ry) = 0.000000000000073 residual = 0.000000094194848
1048 … ik = 41 is = 1 idiag = 1 dE(Ry) = 241.554488517316571 residual = 262.876285134331795
1049 … ik = 41 is = 1 idiag = 2 dE(Ry) = 53.846484141955244 residual = 70.779856120848748
1050 … ik = 41 is = 1 idiag = 3 dE(Ry) = 72.029880232486164 residual = 83.922622379014044
1051 … ik = 41 is = 1 idiag = 4 dE(Ry) = 47.923771025388248 residual = 55.575471455069220
1052 … ik = 41 is = 1 idiag = 5 dE(Ry) = 30.842655577341020 residual = 35.624887637260116
1053 … ik = 41 is = 1 idiag = 6 dE(Ry) = 18.555241491369159 residual = 21.476695343699717
1054 … ik = 41 is = 1 idiag = 7 dE(Ry) = 10.589218067213489 residual = 12.326266772878931
1055 … ik = 41 is = 1 idiag = 8 dE(Ry) = 5.913192215518301 residual = 8.749596153036020
1056 … ik = 41 is = 1 idiag = 9 dE(Ry) = 6.794486982599820 residual = 9.282843106549459
1057 … ik = 41 is = 1 idiag = 10 dE(Ry) = 3.459152558580232 residual = 5.510842374792445
1058 … ik = 41 is = 1 idiag = 11 dE(Ry) = 1.880682816831413 residual = 2.522890686030687
1059 … ik = 41 is = 1 idiag = 12 dE(Ry) = 0.704636799128837 residual = 3.411250374516080
1060 … ik = 41 is = 1 idiag = 13 dE(Ry) = 0.296073478762229 residual = 1.036730976384949
1061 … ik = 41 is = 1 idiag = 14 dE(Ry) = 0.015176946525365 residual = 0.151490839980258
1062 … ik = 41 is = 1 idiag = 15 dE(Ry) = 0.000308829369970 residual = 0.018330265426852
1063 … ik = 41 is = 1 idiag = 16 dE(Ry) = 0.000004369815967 residual = 0.001997564386024
1064 … ik = 41 is = 1 idiag = 17 dE(Ry) = 0.000000047093455 residual = 0.000213997177264
1065 … ik = 41 is = 1 idiag = 18 dE(Ry) = 0.000000000495806 residual = 0.000016401218531
1066 … ik = 41 is = 1 idiag = 19 dE(Ry) = 0.000000000002694 residual = 0.000001472933813
1067 … ik = 41 is = 1 idiag = 20 dE(Ry) = 0.000000000002090 residual = 0.000013933624758
1068 … ik = 41 is = 1 idiag = 21 dE(Ry) = 0.000000000594427 residual = 0.000269883154458
1069 … ik = 41 is = 1 idiag = 22 dE(Ry) = 0.000000001392244 residual = 0.000041477466719
1070 … ik = 41 is = 1 idiag = 23 dE(Ry) = 0.000000000016533 residual = 0.000003539887398
1071 … ik = 41 is = 1 idiag = 24 dE(Ry) = 0.000000000000128 residual = 0.000000312392617
1072 … ik = 41 is = 1 idiag = 25 dE(Ry) = 0.000000000000060 residual = 0.000000086378725
1073 … ik = 42 is = 1 idiag = 1 dE(Ry) = 241.798241056036346 residual = 263.174924308987102
1074 … ik = 42 is = 1 idiag = 2 dE(Ry) = 54.143450248025999 residual = 71.024744466294223
1075 … ik = 42 is = 1 idiag = 3 dE(Ry) = 71.695636141714061 residual = 83.565670620231472
1076 … ik = 42 is = 1 idiag = 4 dE(Ry) = 48.051978992442827 residual = 55.736045605634914
1077 … ik = 42 is = 1 idiag = 5 dE(Ry) = 30.931622620663234 residual = 35.591932755566432
1078 … ik = 42 is = 1 idiag = 6 dE(Ry) = 18.565643678580706 residual = 21.383863559543226
1079 … ik = 42 is = 1 idiag = 7 dE(Ry) = 10.899954488861294 residual = 12.580237307703506
1080 … ik = 42 is = 1 idiag = 8 dE(Ry) = 6.025683284334670 residual = 8.561145528062031
1081 … ik = 42 is = 1 idiag = 9 dE(Ry) = 6.608263169397897 residual = 9.269531858825497
1082 … ik = 42 is = 1 idiag = 10 dE(Ry) = 3.407807432169665 residual = 5.591255962348694
1083 … ik = 42 is = 1 idiag = 11 dE(Ry) = 1.881033280655612 residual = 2.738840401134877
1084 … ik = 42 is = 1 idiag = 12 dE(Ry) = 0.747019415244881 residual = 3.394725057560737
1085 … ik = 42 is = 1 idiag = 13 dE(Ry) = 0.374274573424025 residual = 1.029179650292437
1086 … ik = 42 is = 1 idiag = 14 dE(Ry) = 0.014977059546139 residual = 0.137042652061452
1087 … ik = 42 is = 1 idiag = 15 dE(Ry) = 0.000263462721092 residual = 0.019086912206055
1088 … ik = 42 is = 1 idiag = 16 dE(Ry) = 0.000004792979996 residual = 0.002268482495949
1089 … ik = 42 is = 1 idiag = 17 dE(Ry) = 0.000000055789144 residual = 0.000208064500828
1090 … ik = 42 is = 1 idiag = 18 dE(Ry) = 0.000000000467249 residual = 0.000016448026183
1091 … ik = 42 is = 1 idiag = 19 dE(Ry) = 0.000000000002730 residual = 0.000001148229862
1092 … ik = 42 is = 1 idiag = 20 dE(Ry) = 0.000000000000999 residual = 0.000009933933756
1093 … ik = 42 is = 1 idiag = 21 dE(Ry) = 0.000000000102156 residual = 0.000090748286659
1094 … ik = 42 is = 1 idiag = 22 dE(Ry) = 0.000000000274039 residual = 0.000026759039156
1095 … ik = 42 is = 1 idiag = 23 dE(Ry) = 0.000000000007189 residual = 0.000002179828556
1096 … ik = 42 is = 1 idiag = 24 dE(Ry) = 0.000000000000071 residual = 0.000000195793058
1097 … ik = 42 is = 1 idiag = 25 dE(Ry) = 0.000000000000053 residual = 0.000000077540283
1098 … ik = 43 is = 1 idiag = 1 dE(Ry) = 241.403949977899231 residual = 262.741969438041394
1099 … ik = 43 is = 1 idiag = 2 dE(Ry) = 54.126146546910718 residual = 71.067881508105117
1100 … ik = 43 is = 1 idiag = 3 dE(Ry) = 71.741129260060148 residual = 83.441562789268772
1101 … ik = 43 is = 1 idiag = 4 dE(Ry) = 47.921492135798275 residual = 55.635157259915275
1102 … ik = 43 is = 1 idiag = 5 dE(Ry) = 30.936572097545351 residual = 35.761426279794527
1103 … ik = 43 is = 1 idiag = 6 dE(Ry) = 18.527349270013936 residual = 21.462711761608062
1104 … ik = 43 is = 1 idiag = 7 dE(Ry) = 10.825829550763263 residual = 12.620532995676818
1105 … ik = 43 is = 1 idiag = 8 dE(Ry) = 6.137499849215742 residual = 8.907668143000349
1106 … ik = 43 is = 1 idiag = 9 dE(Ry) = 6.366302044493082 residual = 8.920473830132476
1107 … ik = 43 is = 1 idiag = 10 dE(Ry) = 3.424909684729343 residual = 5.572537656430854
1108 … ik = 43 is = 1 idiag = 11 dE(Ry) = 2.099144434898491 residual = 2.666100327593385
1109 … ik = 43 is = 1 idiag = 12 dE(Ry) = 0.760400073032145 residual = 3.406788461389673
1110 … ik = 43 is = 1 idiag = 13 dE(Ry) = 0.296717708412377 residual = 1.061865162829895
1111 … ik = 43 is = 1 idiag = 14 dE(Ry) = 0.016265124229257 residual = 0.143742604077908
1112 … ik = 43 is = 1 idiag = 15 dE(Ry) = 0.000297469289980 residual = 0.018216154173633
1113 … ik = 43 is = 1 idiag = 16 dE(Ry) = 0.000004294432785 residual = 0.002067822851579
1114 … ik = 43 is = 1 idiag = 17 dE(Ry) = 0.000000043139981 residual = 0.000186409546440
1115 … ik = 43 is = 1 idiag = 18 dE(Ry) = 0.000000000377288 residual = 0.000015101568331
1116 … ik = 43 is = 1 idiag = 19 dE(Ry) = 0.000000000002359 residual = 0.000001098518538
1117 … ik = 43 is = 1 idiag = 20 dE(Ry) = 0.000000000000703 residual = 0.000008000830362
1118 … ik = 43 is = 1 idiag = 21 dE(Ry) = 0.000000000098318 residual = 0.000098038055880
1119 … ik = 43 is = 1 idiag = 22 dE(Ry) = 0.000000000741839 residual = 0.000057296920258
1120 … ik = 43 is = 1 idiag = 23 dE(Ry) = 0.000000000032782 residual = 0.000005268990570
1121 … ik = 43 is = 1 idiag = 24 dE(Ry) = 0.000000000000284 residual = 0.000000430625248
1122 … ik = 43 is = 1 idiag = 25 dE(Ry) = 0.000000000000068 residual = 0.000000086707187
1123 … ik = 44 is = 1 idiag = 1 dE(Ry) = 241.313179198206171 residual = 262.642847803626807
1124 … ik = 44 is = 1 idiag = 2 dE(Ry) = 53.914353147399453 residual = 70.820112388693104
1125 … ik = 44 is = 1 idiag = 3 dE(Ry) = 71.491926295630577 residual = 83.532338068571931
1126 … ik = 44 is = 1 idiag = 4 dE(Ry) = 48.286043273856990 residual = 55.733513174031181
1127 … ik = 44 is = 1 idiag = 5 dE(Ry) = 30.842866169923198 residual = 35.538108009064672
1128 … ik = 44 is = 1 idiag = 6 dE(Ry) = 18.996673872609350 residual = 21.906606820469285
1129 … ik = 44 is = 1 idiag = 7 dE(Ry) = 10.621569002518299 residual = 12.498055158864236
1130 … ik = 44 is = 1 idiag = 8 dE(Ry) = 5.761402322442610 residual = 8.324591363146764
1131 … ik = 44 is = 1 idiag = 9 dE(Ry) = 6.767326882474561 residual = 9.304393098804992
1132 … ik = 44 is = 1 idiag = 10 dE(Ry) = 3.416645646600369 residual = 5.538224659688853
1133 … ik = 44 is = 1 idiag = 11 dE(Ry) = 1.643691871669906 residual = 2.666161819121019
1134 … ik = 44 is = 1 idiag = 12 dE(Ry) = 0.762338106371306 residual = 3.398547086297704
1135 … ik = 44 is = 1 idiag = 13 dE(Ry) = 0.348575198437720 residual = 1.078419886927272
1136 … ik = 44 is = 1 idiag = 14 dE(Ry) = 0.018137617689425 residual = 0.143999789189004
1137 … ik = 44 is = 1 idiag = 15 dE(Ry) = 0.000284680321592 residual = 0.018388298683853
1138 … ik = 44 is = 1 idiag = 16 dE(Ry) = 0.000004594295268 residual = 0.002185423806206
1139 … ik = 44 is = 1 idiag = 17 dE(Ry) = 0.000000052499067 residual = 0.000203351315855
1140 … ik = 44 is = 1 idiag = 18 dE(Ry) = 0.000000000436662 residual = 0.000015397027100
1141 … ik = 44 is = 1 idiag = 19 dE(Ry) = 0.000000000002393 residual = 0.000001109808206
1142 … ik = 44 is = 1 idiag = 20 dE(Ry) = 0.000000000000459 residual = 0.000006363820869
1143 … ik = 44 is = 1 idiag = 21 dE(Ry) = 0.000000000060643 residual = 0.000077296538760
1144 … ik = 44 is = 1 idiag = 22 dE(Ry) = 0.000000000645644 residual = 0.000065432194119
1145 … ik = 44 is = 1 idiag = 23 dE(Ry) = 0.000000000043491 residual = 0.000005977161243
1146 … ik = 44 is = 1 idiag = 24 dE(Ry) = 0.000000000000376 residual = 0.000000510570824
1147 … ik = 44 is = 1 idiag = 25 dE(Ry) = 0.000000000000067 residual = 0.000000088004800
1148 … ik = 45 is = 1 idiag = 1 dE(Ry) = 241.508317486072741 residual = 262.781177968394104
1149 … ik = 45 is = 1 idiag = 2 dE(Ry) = 53.828203753344610 residual = 70.961520591264772
1150 … ik = 45 is = 1 idiag = 3 dE(Ry) = 71.651221509045541 residual = 83.456501803638005
1151 … ik = 45 is = 1 idiag = 4 dE(Ry) = 48.084041893899723 residual = 55.856847761860763
1152 … ik = 45 is = 1 idiag = 5 dE(Ry) = 30.862401358890367 residual = 35.490890946198085
1153 … ik = 45 is = 1 idiag = 6 dE(Ry) = 18.548167122552321 residual = 21.379502331283980
1154 … ik = 45 is = 1 idiag = 7 dE(Ry) = 10.825834128906248 residual = 12.572548275513274
1155 … ik = 45 is = 1 idiag = 8 dE(Ry) = 6.362305683369032 residual = 9.584286187273529
1156 … ik = 45 is = 1 idiag = 9 dE(Ry) = 6.454454022017413 residual = 9.006895192408379
1157 … ik = 45 is = 1 idiag = 10 dE(Ry) = 3.448081150052332 residual = 5.557826478697486
1158 … ik = 45 is = 1 idiag = 11 dE(Ry) = 1.596394465907739 residual = 2.749062194683723
1159 … ik = 45 is = 1 idiag = 12 dE(Ry) = 0.720367242330862 residual = 3.381585308035707
1160 … ik = 45 is = 1 idiag = 13 dE(Ry) = 0.271329792755200 residual = 1.052371907643509
1161 … ik = 45 is = 1 idiag = 14 dE(Ry) = 0.016758296474178 residual = 0.152886630407062
1162 … ik = 45 is = 1 idiag = 15 dE(Ry) = 0.000314157471568 residual = 0.019426723365431
1163 … ik = 45 is = 1 idiag = 16 dE(Ry) = 0.000004679525499 residual = 0.002141748643764
1164 … ik = 45 is = 1 idiag = 17 dE(Ry) = 0.000000052872933 residual = 0.000220209710378
1165 … ik = 45 is = 1 idiag = 18 dE(Ry) = 0.000000000502355 residual = 0.000016687364873
1166 … ik = 45 is = 1 idiag = 19 dE(Ry) = 0.000000000002931 residual = 0.000001176419057
1167 … ik = 45 is = 1 idiag = 20 dE(Ry) = 0.000000000000075 residual = 0.000000876536403
1168 … ik = 45 is = 1 idiag = 21 dE(Ry) = 0.000000000001103 residual = 0.000010590529598
1169 … ik = 45 is = 1 idiag = 22 dE(Ry) = 0.000000000327613 residual = 0.000239666313405
1170 … ik = 45 is = 1 idiag = 23 dE(Ry) = 0.000000000990943 residual = 0.000029918964076
1171 … ik = 45 is = 1 idiag = 24 dE(Ry) = 0.000000000009183 residual = 0.000002518595713
1172 … ik = 45 is = 1 idiag = 25 dE(Ry) = 0.000000000000066 residual = 0.000000228494318
1173 … ik = 45 is = 1 idiag = 26 dE(Ry) = 0.000000000000089 residual = 0.000000081934202
1174 … ik = 46 is = 1 idiag = 1 dE(Ry) = 241.291360001355343 residual = 262.461363638932880
1175 … ik = 46 is = 1 idiag = 2 dE(Ry) = 54.136812514763534 residual = 70.976435223558312
1176 … ik = 46 is = 1 idiag = 3 dE(Ry) = 71.670327678921041 residual = 83.542256385750861
1177 … ik = 46 is = 1 idiag = 4 dE(Ry) = 47.883913802602081 residual = 55.553861965372498
1178 … ik = 46 is = 1 idiag = 5 dE(Ry) = 30.975559628101934 residual = 35.799012738717295
1179 … ik = 46 is = 1 idiag = 6 dE(Ry) = 19.040744264552689 residual = 21.917577716448548
1180 … ik = 46 is = 1 idiag = 7 dE(Ry) = 10.821853557803898 residual = 12.627224882140323
1181 … ik = 46 is = 1 idiag = 8 dE(Ry) = 5.856228037487562 residual = 8.873775949403530
1182 … ik = 46 is = 1 idiag = 9 dE(Ry) = 6.776176089022448 residual = 9.202675694951656
1183 … ik = 46 is = 1 idiag = 10 dE(Ry) = 3.530627399855632 residual = 5.654745901443238
1184 … ik = 46 is = 1 idiag = 11 dE(Ry) = 2.010643840760401 residual = 2.662791416086402
1185 … ik = 46 is = 1 idiag = 12 dE(Ry) = 0.770874986524620 residual = 3.459345806882426
1186 … ik = 46 is = 1 idiag = 13 dE(Ry) = 0.356182407340021 residual = 0.987506462100227
1187 … ik = 46 is = 1 idiag = 14 dE(Ry) = 0.014745004574396 residual = 0.139846349995470
1188 … ik = 46 is = 1 idiag = 15 dE(Ry) = 0.000269209931669 residual = 0.017422001924714
1189 … ik = 46 is = 1 idiag = 16 dE(Ry) = 0.000003980858213 residual = 0.001839143787213
1190 … ik = 46 is = 1 idiag = 17 dE(Ry) = 0.000000038869223 residual = 0.000180605434400
1191 … ik = 46 is = 1 idiag = 18 dE(Ry) = 0.000000000349399 residual = 0.000014287681708
1192 … ik = 46 is = 1 idiag = 19 dE(Ry) = 0.000000000002162 residual = 0.000001035845400
1193 … ik = 46 is = 1 idiag = 20 dE(Ry) = 0.000000000000068 residual = 0.000001464136058
1194 … ik = 46 is = 1 idiag = 21 dE(Ry) = 0.000000000002935 residual = 0.000016965857245
1195 … ik = 46 is = 1 idiag = 22 dE(Ry) = 0.000000000239755 residual = 0.000117479395488
1196 … ik = 46 is = 1 idiag = 23 dE(Ry) = 0.000000000234306 residual = 0.000016575490261
1197 … ik = 46 is = 1 idiag = 24 dE(Ry) = 0.000000000002646 residual = 0.000001431322883
1198 … ik = 46 is = 1 idiag = 25 dE(Ry) = 0.000000000000057 residual = 0.000000135136180
1199 … ik = 46 is = 1 idiag = 26 dE(Ry) = 0.000000000000057 residual = 0.000000073966336
1200 … ik = 47 is = 1 idiag = 1 dE(Ry) = 241.419754167737210 residual = 262.574654476463309
1201 … ik = 47 is = 1 idiag = 2 dE(Ry) = 53.899673367707550 residual = 70.765856809372522
1202 … ik = 47 is = 1 idiag = 3 dE(Ry) = 71.735008804481112 residual = 83.408870837484457
1203 … ik = 47 is = 1 idiag = 4 dE(Ry) = 47.840037909131311 residual = 55.555644549269090
1204 … ik = 47 is = 1 idiag = 5 dE(Ry) = 31.210546399391774 residual = 35.795136278427357
1205 … ik = 47 is = 1 idiag = 6 dE(Ry) = 18.483082320865204 residual = 21.396531021809402
1206 … ik = 47 is = 1 idiag = 7 dE(Ry) = 10.884403202066721 residual = 12.654148884261229
1207 … ik = 47 is = 1 idiag = 8 dE(Ry) = 6.506340405932137 residual = 9.659777860224922
1208 … ik = 47 is = 1 idiag = 9 dE(Ry) = 6.686417548281412 residual = 9.321864380269050
1209 … ik = 47 is = 1 idiag = 10 dE(Ry) = 3.446083683922940 residual = 5.615892876973325
1210 … ik = 47 is = 1 idiag = 11 dE(Ry) = 1.670743093348971 residual = 2.775746288782223
1211 … ik = 47 is = 1 idiag = 12 dE(Ry) = 0.726222107246707 residual = 3.358215988533450
1212 … ik = 47 is = 1 idiag = 13 dE(Ry) = 0.293685779901594 residual = 0.935611412257336
1213 … ik = 47 is = 1 idiag = 14 dE(Ry) = 0.013086505486515 residual = 0.132884854031920
1214 … ik = 47 is = 1 idiag = 15 dE(Ry) = 0.000242118037341 residual = 0.017406209578814
1215 … ik = 47 is = 1 idiag = 16 dE(Ry) = 0.000003910426861 residual = 0.001998431190226
1216 … ik = 47 is = 1 idiag = 17 dE(Ry) = 0.000000043648925 residual = 0.000182726333543
1217 … ik = 47 is = 1 idiag = 18 dE(Ry) = 0.000000000337685 residual = 0.000014850267896
1218 … ik = 47 is = 1 idiag = 19 dE(Ry) = 0.000000000002431 residual = 0.000001024664522
1219 … ik = 47 is = 1 idiag = 20 dE(Ry) = 0.000000000000071 residual = 0.000000270206208
1220 … ik = 47 is = 1 idiag = 21 dE(Ry) = 0.000000000000055 residual = 0.000001867684189
1221 … ik = 47 is = 1 idiag = 22 dE(Ry) = 0.000000000005241 residual = 0.000024022490875
1222 … ik = 47 is = 1 idiag = 23 dE(Ry) = 0.000000000573711 residual = 0.000132956105843
1223 … ik = 47 is = 1 idiag = 24 dE(Ry) = 0.000000000172689 residual = 0.000012957489963
1224 … ik = 47 is = 1 idiag = 25 dE(Ry) = 0.000000000001512 residual = 0.000001071327371
1225 … ik = 47 is = 1 idiag = 26 dE(Ry) = 0.000000000000060 residual = 0.000000094727706
1226 … ik = 48 is = 1 idiag = 1 dE(Ry) = 241.620947664083502 residual = 262.914331822289114
1227 … ik = 48 is = 1 idiag = 2 dE(Ry) = 54.151627935750184 residual = 70.911182481831062
1228 … ik = 48 is = 1 idiag = 3 dE(Ry) = 71.535678739070363 residual = 83.559973228303122
1229 … ik = 48 is = 1 idiag = 4 dE(Ry) = 47.965859649530074 residual = 55.375868817448996
1230 … ik = 48 is = 1 idiag = 5 dE(Ry) = 30.653673504586806 residual = 35.430553666585702
1231 … ik = 48 is = 1 idiag = 6 dE(Ry) = 18.785513793345089 residual = 21.587652672050748
1232 … ik = 48 is = 1 idiag = 7 dE(Ry) = 10.873426300262706 residual = 12.612970809201578
1233 … ik = 48 is = 1 idiag = 8 dE(Ry) = 6.376363422393612 residual = 9.257110436070962
1234 … ik = 48 is = 1 idiag = 9 dE(Ry) = 6.777070722224137 residual = 9.323016531753506
1235 … ik = 48 is = 1 idiag = 10 dE(Ry) = 3.509719546595408 residual = 5.459122636810521
1236 … ik = 48 is = 1 idiag = 11 dE(Ry) = 2.029534003249291 residual = 2.639806447008109
1237 … ik = 48 is = 1 idiag = 12 dE(Ry) = 0.750833540989977 residual = 3.484159663523377
1238 … ik = 48 is = 1 idiag = 13 dE(Ry) = 0.316813546547732 residual = 1.189116223331496
1239 … ik = 48 is = 1 idiag = 14 dE(Ry) = 0.022192102358500 residual = 0.164626310836630
1240 … ik = 48 is = 1 idiag = 15 dE(Ry) = 0.000397848811430 residual = 0.021106086505209
1241 … ik = 48 is = 1 idiag = 16 dE(Ry) = 0.000006009705773 residual = 0.002472255242754
1242 … ik = 48 is = 1 idiag = 17 dE(Ry) = 0.000000070271565 residual = 0.000261951289061
1243 … ik = 48 is = 1 idiag = 18 dE(Ry) = 0.000000000719557 residual = 0.000019229908333
1244 … ik = 48 is = 1 idiag = 19 dE(Ry) = 0.000000000003823 residual = 0.000001326050036
1245 … ik = 48 is = 1 idiag = 20 dE(Ry) = 0.000000000000048 residual = 0.000000186391065
1246 … ik = 48 is = 1 idiag = 21 dE(Ry) = 0.000000000000061 residual = 0.000000731547792
1247 … ik = 48 is = 1 idiag = 22 dE(Ry) = 0.000000000000624 residual = 0.000008199965209
1248 … ik = 48 is = 1 idiag = 23 dE(Ry) = 0.000000000070656 residual = 0.000078427986019
1249 … ik = 48 is = 1 idiag = 24 dE(Ry) = 0.000000000240816 residual = 0.000024990838919
1250 … ik = 48 is = 1 idiag = 25 dE(Ry) = 0.000000000005913 residual = 0.000002305718886
1251 … ik = 48 is = 1 idiag = 26 dE(Ry) = 0.000000000000062 residual = 0.000000186096836
1252 … ik = 48 is = 1 idiag = 27 dE(Ry) = 0.000000000000055 residual = 0.000000090562140
1253 … ik = 49 is = 1 idiag = 1 dE(Ry) = 241.204995985096673 residual = 262.365841433514447
1254 … ik = 49 is = 1 idiag = 2 dE(Ry) = 54.142694715805590 residual = 71.059406700079208
1255 … ik = 49 is = 1 idiag = 3 dE(Ry) = 71.441187197588505 residual = 83.311805728827352
1256 … ik = 49 is = 1 idiag = 4 dE(Ry) = 48.269383034181914 residual = 55.811443514210040
1257 … ik = 49 is = 1 idiag = 5 dE(Ry) = 31.097173325102773 residual = 35.698742470951032
1258 … ik = 49 is = 1 idiag = 6 dE(Ry) = 18.671907368338264 residual = 21.464678947200614
1259 … ik = 49 is = 1 idiag = 7 dE(Ry) = 10.972669014480438 residual = 12.749576136225949
1260 … ik = 49 is = 1 idiag = 8 dE(Ry) = 6.375125630392880 residual = 9.235160492237789
1261 … ik = 49 is = 1 idiag = 9 dE(Ry) = 6.613822436014917 residual = 9.142957630649832
1262 … ik = 49 is = 1 idiag = 10 dE(Ry) = 3.605303233758477 residual = 5.580984643082759
1263 … ik = 49 is = 1 idiag = 11 dE(Ry) = 1.649553430882763 residual = 2.728377465045912
1264 … ik = 49 is = 1 idiag = 12 dE(Ry) = 0.721287323678720 residual = 3.518081460651764
1265 … ik = 49 is = 1 idiag = 13 dE(Ry) = 0.340893941673236 residual = 0.989397022477768
1266 … ik = 49 is = 1 idiag = 14 dE(Ry) = 0.013578000197823 residual = 0.132994366719175
1267 … ik = 49 is = 1 idiag = 15 dE(Ry) = 0.000235008567739 residual = 0.017722517559435
1268 … ik = 49 is = 1 idiag = 16 dE(Ry) = 0.000004000158714 residual = 0.001926392406689
1269 … ik = 49 is = 1 idiag = 17 dE(Ry) = 0.000000041450767 residual = 0.000182289476820
1270 … ik = 49 is = 1 idiag = 18 dE(Ry) = 0.000000000365339 residual = 0.000014342921395
1271 … ik = 49 is = 1 idiag = 19 dE(Ry) = 0.000000000002235 residual = 0.000000978467294
1272 … ik = 49 is = 1 idiag = 20 dE(Ry) = 0.000000000000062 residual = 0.000000284874519
1273 … ik = 49 is = 1 idiag = 21 dE(Ry) = 0.000000000000067 residual = 0.000001513711198
1274 … ik = 49 is = 1 idiag = 22 dE(Ry) = 0.000000000002570 residual = 0.000016281918844
1275 … ik = 49 is = 1 idiag = 23 dE(Ry) = 0.000000000109564 residual = 0.000058219302288
1276 … ik = 49 is = 1 idiag = 24 dE(Ry) = 0.000000000042771 residual = 0.000007011536636
1277 … ik = 49 is = 1 idiag = 25 dE(Ry) = 0.000000000000453 residual = 0.000000627355199
1278 … ik = 49 is = 1 idiag = 26 dE(Ry) = 0.000000000000058 residual = 0.000000068699854
1279 … ik = 50 is = 1 idiag = 1 dE(Ry) = 241.006575410874490 residual = 262.341573295190415
1280 … ik = 50 is = 1 idiag = 2 dE(Ry) = 53.816659912514098 residual = 70.749192337364420
1281 … ik = 50 is = 1 idiag = 3 dE(Ry) = 71.685621291227108 residual = 83.526081474808294
1282 … ik = 50 is = 1 idiag = 4 dE(Ry) = 48.171679418930509 residual = 55.681259771970829
1283 … ik = 50 is = 1 idiag = 5 dE(Ry) = 30.654165181881751 residual = 35.274384472383900
1284 … ik = 50 is = 1 idiag = 6 dE(Ry) = 18.458299697150416 residual = 21.338455099580354
1285 … ik = 50 is = 1 idiag = 7 dE(Ry) = 10.794093119703524 residual = 12.554417709199056
1286 … ik = 50 is = 1 idiag = 8 dE(Ry) = 6.174993564159903 residual = 8.110557326817064
1287 … ik = 50 is = 1 idiag = 9 dE(Ry) = 6.839355956994378 residual = 9.331060894594195
1288 … ik = 50 is = 1 idiag = 10 dE(Ry) = 3.460883646394714 residual = 5.559916023128304
1289 … ik = 50 is = 1 idiag = 11 dE(Ry) = 1.891759745298948 residual = 2.667693880178950
1290 … ik = 50 is = 1 idiag = 12 dE(Ry) = 0.764852927870161 residual = 3.368799007843530
1291 … ik = 50 is = 1 idiag = 13 dE(Ry) = 0.349199143814058 residual = 1.080073036303646
1292 … ik = 50 is = 1 idiag = 14 dE(Ry) = 0.016958896320251 residual = 0.151768772051957
1293 … ik = 50 is = 1 idiag = 15 dE(Ry) = 0.000302634400775 residual = 0.018997953140178
1294 … ik = 50 is = 1 idiag = 16 dE(Ry) = 0.000004487024678 residual = 0.002124881667772
1295 … ik = 50 is = 1 idiag = 17 dE(Ry) = 0.000000048894901 residual = 0.000195672271992
1296 … ik = 50 is = 1 idiag = 18 dE(Ry) = 0.000000000414773 residual = 0.000014777823630
1297 … ik = 50 is = 1 idiag = 19 dE(Ry) = 0.000000000002280 residual = 0.000000979064080
1298 … ik = 50 is = 1 idiag = 20 dE(Ry) = 0.000000000000058 residual = 0.000000242749183
1299 … ik = 50 is = 1 idiag = 21 dE(Ry) = 0.000000000000058 residual = 0.000001408305427
1300 … ik = 50 is = 1 idiag = 22 dE(Ry) = 0.000000000002627 residual = 0.000016842505934
1301 … ik = 50 is = 1 idiag = 23 dE(Ry) = 0.000000000401370 residual = 0.000129180322376
1302 … ik = 50 is = 1 idiag = 24 dE(Ry) = 0.000000000176821 residual = 0.000012445099220
1303 … ik = 50 is = 1 idiag = 25 dE(Ry) = 0.000000000001492 residual = 0.000001090259862
1304 … ik = 50 is = 1 idiag = 26 dE(Ry) = 0.000000000000054 residual = 0.000000101121722
1305 … ik = 50 is = 1 idiag = 27 dE(Ry) = 0.000000000000052 residual = 0.000000072897602
1306 … ik = 51 is = 1 idiag = 1 dE(Ry) = 240.958581190680036 residual = 262.266535914782366
1307 … ik = 51 is = 1 idiag = 2 dE(Ry) = 53.990333605833428 residual = 70.909499326639718
1308 … ik = 51 is = 1 idiag = 3 dE(Ry) = 72.063989289087971 residual = 83.914635690286801
1309 … ik = 51 is = 1 idiag = 4 dE(Ry) = 47.838901243493083 residual = 55.535934972679719
1310 … ik = 51 is = 1 idiag = 5 dE(Ry) = 31.005070160335038 residual = 35.670631029609758
1311 … ik = 51 is = 1 idiag = 6 dE(Ry) = 18.544732830606691 residual = 21.438704915754023
1312 … ik = 51 is = 1 idiag = 7 dE(Ry) = 10.606386014827976 residual = 12.386254581124780
1313 … ik = 51 is = 1 idiag = 8 dE(Ry) = 6.512563657799677 residual = 9.495247028903393
1314 … ik = 51 is = 1 idiag = 9 dE(Ry) = 6.376682061056000 residual = 9.016003404584874
1315 … ik = 51 is = 1 idiag = 10 dE(Ry) = 3.516249236373353 residual = 5.571291946903347
1316 … ik = 51 is = 1 idiag = 11 dE(Ry) = 1.785395210363632 residual = 2.685742427097093
1317 … ik = 51 is = 1 idiag = 12 dE(Ry) = 0.769045865898918 residual = 3.340799734575977
1318 … ik = 51 is = 1 idiag = 13 dE(Ry) = 0.317492120872987 residual = 0.981276964161011
1319 … ik = 51 is = 1 idiag = 14 dE(Ry) = 0.012912138661308 residual = 0.141147223456853
1320 … ik = 51 is = 1 idiag = 15 dE(Ry) = 0.000273950838020 residual = 0.018205712471362
1321 … ik = 51 is = 1 idiag = 16 dE(Ry) = 0.000004201752383 residual = 0.001993702533584
1322 … ik = 51 is = 1 idiag = 17 dE(Ry) = 0.000000044689478 residual = 0.000189837237362
1323 … ik = 51 is = 1 idiag = 18 dE(Ry) = 0.000000000378520 residual = 0.000014189295391
1324 … ik = 51 is = 1 idiag = 19 dE(Ry) = 0.000000000002075 residual = 0.000000997896491
1325 … ik = 51 is = 1 idiag = 20 dE(Ry) = 0.000000000000075 residual = 0.000000562512841
1326 … ik = 51 is = 1 idiag = 21 dE(Ry) = 0.000000000000298 residual = 0.000005406139433
1327 … ik = 51 is = 1 idiag = 22 dE(Ry) = 0.000000000034859 residual = 0.000059412678322
1328 … ik = 51 is = 1 idiag = 23 dE(Ry) = 0.000000000249528 residual = 0.000034339464892
1329 … ik = 51 is = 1 idiag = 24 dE(Ry) = 0.000000000011528 residual = 0.000002931089135
1330 … ik = 51 is = 1 idiag = 25 dE(Ry) = 0.000000000000084 residual = 0.000000243063516
1331 … ik = 51 is = 1 idiag = 26 dE(Ry) = 0.000000000000052 residual = 0.000000076701950
1332 … ik = 52 is = 1 idiag = 1 dE(Ry) = 241.328440748846248 residual = 262.633712932540789
1333 … ik = 52 is = 1 idiag = 2 dE(Ry) = 53.982331004861834 residual = 70.699975187728100
1334 … ik = 52 is = 1 idiag = 3 dE(Ry) = 71.434804380547320 residual = 83.360941846047609
1335 … ik = 52 is = 1 idiag = 4 dE(Ry) = 47.775058416220062 residual = 55.503632649369081
1336 … ik = 52 is = 1 idiag = 5 dE(Ry) = 31.023106506378028 residual = 35.681192711467887
1337 … ik = 52 is = 1 idiag = 6 dE(Ry) = 18.514636917517372 residual = 21.537271262135658
1338 … ik = 52 is = 1 idiag = 7 dE(Ry) = 10.877643601174087 residual = 12.638076712500560
1339 … ik = 52 is = 1 idiag = 8 dE(Ry) = 6.474234833642707 residual = 9.122952950330731
1340 … ik = 52 is = 1 idiag = 9 dE(Ry) = 6.261642898337820 residual = 9.019973035879582
1341 … ik = 52 is = 1 idiag = 10 dE(Ry) = 3.483856457151442 residual = 5.491247648048106
1342 … ik = 52 is = 1 idiag = 11 dE(Ry) = 1.687028988410674 residual = 2.657472269534745
1343 … ik = 52 is = 1 idiag = 12 dE(Ry) = 0.772696693951175 residual = 3.496807284300883
1344 … ik = 52 is = 1 idiag = 13 dE(Ry) = 0.321637994639397 residual = 1.007298351007942
1345 … ik = 52 is = 1 idiag = 14 dE(Ry) = 0.015455279040553 residual = 0.139114144147755
1346 … ik = 52 is = 1 idiag = 15 dE(Ry) = 0.000262695453972 residual = 0.017191231143923
1347 … ik = 52 is = 1 idiag = 16 dE(Ry) = 0.000003766026279 residual = 0.001926459603464
1348 … ik = 52 is = 1 idiag = 17 dE(Ry) = 0.000000040600049 residual = 0.000181370067139
1349 … ik = 52 is = 1 idiag = 18 dE(Ry) = 0.000000000348303 residual = 0.000013933441348
1350 … ik = 52 is = 1 idiag = 19 dE(Ry) = 0.000000000001921 residual = 0.000000926532152
1351 … ik = 52 is = 1 idiag = 20 dE(Ry) = 0.000000000000076 residual = 0.000000452675377
1352 … ik = 52 is = 1 idiag = 21 dE(Ry) = 0.000000000000068 residual = 0.000003148595335
1353 … ik = 52 is = 1 idiag = 22 dE(Ry) = 0.000000000012280 residual = 0.000036611150157
1354 … ik = 52 is = 1 idiag = 23 dE(Ry) = 0.000000000359334 residual = 0.000061132751138
1355 … ik = 52 is = 1 idiag = 24 dE(Ry) = 0.000000000037378 residual = 0.000005571513959
1356 … ik = 52 is = 1 idiag = 25 dE(Ry) = 0.000000000000258 residual = 0.000000463674727
1357 … ik = 52 is = 1 idiag = 26 dE(Ry) = 0.000000000000051 residual = 0.000000064137715
1358 … ik = 53 is = 1 idiag = 1 dE(Ry) = 241.065061193611257 residual = 262.393088107359176
1359 … ik = 53 is = 1 idiag = 2 dE(Ry) = 53.952290877447723 residual = 70.678370602311432
1360 … ik = 53 is = 1 idiag = 3 dE(Ry) = 71.856188253196080 residual = 83.594188383343905
1361 … ik = 53 is = 1 idiag = 4 dE(Ry) = 47.800775238769830 residual = 55.312488674601347
1362 … ik = 53 is = 1 idiag = 5 dE(Ry) = 30.867110929976704 residual = 35.448314048893600
1363 … ik = 53 is = 1 idiag = 6 dE(Ry) = 18.642427035160566 residual = 21.491671914254805
1364 … ik = 53 is = 1 idiag = 7 dE(Ry) = 10.873629078979308 residual = 12.711674799558697
1365 … ik = 53 is = 1 idiag = 8 dE(Ry) = 6.850469410394215 residual = 9.563985971647480
1366 … ik = 53 is = 1 idiag = 9 dE(Ry) = 6.437083895631195 residual = 9.104435644949621
1367 … ik = 53 is = 1 idiag = 10 dE(Ry) = 3.396415421693767 residual = 5.735092208781551
1368 … ik = 53 is = 1 idiag = 11 dE(Ry) = 1.869046246243981 residual = 2.782640044731217
1369 … ik = 53 is = 1 idiag = 12 dE(Ry) = 0.722810987855480 residual = 3.432571973731473
1370 … ik = 53 is = 1 idiag = 13 dE(Ry) = 0.356099475283465 residual = 1.035015082377236
1371 … ik = 53 is = 1 idiag = 14 dE(Ry) = 0.015141214115383 residual = 0.147126799758929
1372 … ik = 53 is = 1 idiag = 15 dE(Ry) = 0.000314740484195 residual = 0.020572335692371
1373 … ik = 53 is = 1 idiag = 16 dE(Ry) = 0.000005539789662 residual = 0.002141450328172
1374 … ik = 53 is = 1 idiag = 17 dE(Ry) = 0.000000053517468 residual = 0.000194074589508
1375 … ik = 53 is = 1 idiag = 18 dE(Ry) = 0.000000000410690 residual = 0.000015289153004
1376 … ik = 53 is = 1 idiag = 19 dE(Ry) = 0.000000000002306 residual = 0.000001048550123
1377 … ik = 53 is = 1 idiag = 20 dE(Ry) = 0.000000000000068 residual = 0.000000203835315
1378 … ik = 53 is = 1 idiag = 21 dE(Ry) = 0.000000000000059 residual = 0.000000875506888
1379 … ik = 53 is = 1 idiag = 22 dE(Ry) = 0.000000000000859 residual = 0.000009644170128
1380 … ik = 53 is = 1 idiag = 23 dE(Ry) = 0.000000000088993 residual = 0.000080747363008
1381 … ik = 53 is = 1 idiag = 24 dE(Ry) = 0.000000000138523 residual = 0.000013408284899
1382 … ik = 53 is = 1 idiag = 25 dE(Ry) = 0.000000000001670 residual = 0.000001166878291
1383 … ik = 53 is = 1 idiag = 26 dE(Ry) = 0.000000000000066 residual = 0.000000113293572
1384 … ik = 53 is = 1 idiag = 27 dE(Ry) = 0.000000000000056 residual = 0.000000077359903
1385 … ik = 54 is = 1 idiag = 1 dE(Ry) = 241.319722659350276 residual = 262.488454149443726
1386 … ik = 54 is = 1 idiag = 2 dE(Ry) = 53.699766038779075 residual = 70.621039600846785
1387 … ik = 54 is = 1 idiag = 3 dE(Ry) = 71.520490897957302 residual = 83.521841526593747
1388 … ik = 54 is = 1 idiag = 4 dE(Ry) = 48.294025522892014 residual = 55.863136589391431
1389 … ik = 54 is = 1 idiag = 5 dE(Ry) = 30.964039632785358 residual = 35.641767288886385
1390 … ik = 54 is = 1 idiag = 6 dE(Ry) = 18.504293827562385 residual = 21.319396774580341
1391 … ik = 54 is = 1 idiag = 7 dE(Ry) = 10.651407015751539 residual = 12.362489316034941
1392 … ik = 54 is = 1 idiag = 8 dE(Ry) = 6.160576828461675 residual = 9.140398915676810
1393 … ik = 54 is = 1 idiag = 9 dE(Ry) = 6.458762807646321 residual = 8.889307322296666
1394 … ik = 54 is = 1 idiag = 10 dE(Ry) = 3.482957483725659 residual = 5.562140855269765
1395 … ik = 54 is = 1 idiag = 11 dE(Ry) = 1.946038634508923 residual = 2.818473533153711
1396 … ik = 54 is = 1 idiag = 12 dE(Ry) = 0.758068695199157 residual = 3.424104889477531
1397 … ik = 54 is = 1 idiag = 13 dE(Ry) = 0.346618110451398 residual = 0.973657741736498
1398 … ik = 54 is = 1 idiag = 14 dE(Ry) = 0.013451088745403 residual = 0.128752011505112
1399 … ik = 54 is = 1 idiag = 15 dE(Ry) = 0.000234003281563 residual = 0.017120122318957
1400 … ik = 54 is = 1 idiag = 16 dE(Ry) = 0.000003893404618 residual = 0.001962414421914
1401 … ik = 54 is = 1 idiag = 17 dE(Ry) = 0.000000044207765 residual = 0.000213661009482
1402 … ik = 54 is = 1 idiag = 18 dE(Ry) = 0.000000000711808 residual = 0.000019608155212
1403 … ik = 54 is = 1 idiag = 19 dE(Ry) = 0.000000000005111 residual = 0.000001578578478
1404 … ik = 54 is = 1 idiag = 20 dE(Ry) = 0.000000000000075 residual = 0.000000260119546
1405 … ik = 54 is = 1 idiag = 21 dE(Ry) = 0.000000000000056 residual = 0.000000983549746
1406 … ik = 54 is = 1 idiag = 22 dE(Ry) = 0.000000000001283 residual = 0.000011534818616
1407 … ik = 54 is = 1 idiag = 23 dE(Ry) = 0.000000000207152 residual = 0.000154175821628
1408 … ik = 54 is = 1 idiag = 24 dE(Ry) = 0.000000000513432 residual = 0.000025271600064
1409 … ik = 54 is = 1 idiag = 25 dE(Ry) = 0.000000000006094 residual = 0.000001989565196
1410 … ik = 54 is = 1 idiag = 26 dE(Ry) = 0.000000000000060 residual = 0.000000185838515
1411 … ik = 54 is = 1 idiag = 27 dE(Ry) = 0.000000000000062 residual = 0.000000068675283
1412 … ik = 55 is = 1 idiag = 1 dE(Ry) = 241.428732592834393 residual = 262.815204490974111
1413 … ik = 55 is = 1 idiag = 2 dE(Ry) = 53.984366325734015 residual = 70.849926365319064
1414 … ik = 55 is = 1 idiag = 3 dE(Ry) = 72.125714743212740 residual = 83.869063150536959
1415 … ik = 55 is = 1 idiag = 4 dE(Ry) = 47.932170054125052 residual = 55.593001058651950
1416 … ik = 55 is = 1 idiag = 5 dE(Ry) = 30.926076240564868 residual = 35.474115534453659
1417 … ik = 55 is = 1 idiag = 6 dE(Ry) = 18.489097032383107 residual = 21.417110194990002
1418 … ik = 55 is = 1 idiag = 7 dE(Ry) = 10.604440442721119 residual = 12.400289856882845
1419 … ik = 55 is = 1 idiag = 8 dE(Ry) = 5.846767518947674 residual = 9.049185059011199
1420 … ik = 55 is = 1 idiag = 9 dE(Ry) = 6.620819551149049 residual = 9.367086165834259
1421 … ik = 55 is = 1 idiag = 10 dE(Ry) = 3.505463481982334 residual = 5.668655542199208
1422 … ik = 55 is = 1 idiag = 11 dE(Ry) = 1.888877516783118 residual = 2.814656996981223
1423 … ik = 55 is = 1 idiag = 12 dE(Ry) = 0.751950167427160 residual = 3.336904273208865
1424 … ik = 55 is = 1 idiag = 13 dE(Ry) = 0.284309898785263 residual = 0.948820327896473
1425 … ik = 55 is = 1 idiag = 14 dE(Ry) = 0.012407773773070 residual = 0.122346768205963
1426 … ik = 55 is = 1 idiag = 15 dE(Ry) = 0.000215573151727 residual = 0.017382817267743
1427 … ik = 55 is = 1 idiag = 16 dE(Ry) = 0.000004196962253 residual = 0.002035455126365
1428 … ik = 55 is = 1 idiag = 17 dE(Ry) = 0.000000044823634 residual = 0.000178274562300
1429 … ik = 55 is = 1 idiag = 18 dE(Ry) = 0.000000000343899 residual = 0.000013468397693
1430 … ik = 55 is = 1 idiag = 19 dE(Ry) = 0.000000000001855 residual = 0.000000984899432
1431 … ik = 55 is = 1 idiag = 20 dE(Ry) = 0.000000000000059 residual = 0.000000519448274
1432 … ik = 55 is = 1 idiag = 21 dE(Ry) = 0.000000000000256 residual = 0.000004648275233
1433 … ik = 55 is = 1 idiag = 22 dE(Ry) = 0.000000000033837 residual = 0.000071703615532
1434 … ik = 55 is = 1 idiag = 23 dE(Ry) = 0.000000001021967 residual = 0.000047509615936
1435 … ik = 55 is = 1 idiag = 24 dE(Ry) = 0.000000000021464 residual = 0.000004188806981
1436 … ik = 55 is = 1 idiag = 25 dE(Ry) = 0.000000000000133 residual = 0.000000380412736
1437 … ik = 55 is = 1 idiag = 26 dE(Ry) = 0.000000000000057 residual = 0.000000069727783
1438 … ik = 56 is = 1 idiag = 1 dE(Ry) = 241.209358371856155 residual = 262.489100610895321
1439 … ik = 56 is = 1 idiag = 2 dE(Ry) = 53.677871271717322 residual = 70.764693994418792
1440 … ik = 56 is = 1 idiag = 3 dE(Ry) = 71.531425896618657 residual = 83.393570779945634
1441 … ik = 56 is = 1 idiag = 4 dE(Ry) = 48.055954694291316 residual = 55.696531459217397
1442 … ik = 56 is = 1 idiag = 5 dE(Ry) = 30.761923612641354 residual = 35.343122304526190
1443 … ik = 56 is = 1 idiag = 6 dE(Ry) = 18.663017128089965 residual = 21.576317722967080
1444 … ik = 56 is = 1 idiag = 7 dE(Ry) = 10.932811564600042 residual = 12.634326258525283
1445 … ik = 56 is = 1 idiag = 8 dE(Ry) = 6.119829796621093 residual = 8.897596311292668
1446 … ik = 56 is = 1 idiag = 9 dE(Ry) = 6.371838617078843 residual = 9.002585302519533
1447 … ik = 56 is = 1 idiag = 10 dE(Ry) = 3.568884597307419 residual = 5.526183524646515
1448 … ik = 56 is = 1 idiag = 11 dE(Ry) = 1.491757687021475 residual = 2.685624874022897
1449 … ik = 56 is = 1 idiag = 12 dE(Ry) = 0.734026666809152 residual = 3.484470947178458
1450 … ik = 56 is = 1 idiag = 13 dE(Ry) = 0.348655881144737 residual = 0.976582035800302
1451 … ik = 56 is = 1 idiag = 14 dE(Ry) = 0.013778607094958 residual = 0.136600567590589
1452 … ik = 56 is = 1 idiag = 15 dE(Ry) = 0.000256886080360 residual = 0.018226987746861
1453 … ik = 56 is = 1 idiag = 16 dE(Ry) = 0.000004251691443 residual = 0.002078082049322
1454 … ik = 56 is = 1 idiag = 17 dE(Ry) = 0.000000046788589 residual = 0.000174003835541
1455 … ik = 56 is = 1 idiag = 18 dE(Ry) = 0.000000000331662 residual = 0.000013229284504
1456 … ik = 56 is = 1 idiag = 19 dE(Ry) = 0.000000000001903 residual = 0.000000940768695
1457 … ik = 56 is = 1 idiag = 20 dE(Ry) = 0.000000000000096 residual = 0.000002145646313
1458 … ik = 56 is = 1 idiag = 21 dE(Ry) = 0.000000000007947 residual = 0.000027966426520
1459 … ik = 56 is = 1 idiag = 22 dE(Ry) = 0.000000000714668 residual = 0.000165564019391
1460 … ik = 56 is = 1 idiag = 23 dE(Ry) = 0.000000000292298 residual = 0.000016628320045
1461 … ik = 56 is = 1 idiag = 24 dE(Ry) = 0.000000000002636 residual = 0.000001456865312
1462 … ik = 56 is = 1 idiag = 25 dE(Ry) = 0.000000000000060 residual = 0.000000120471456
1463 … ik = 56 is = 1 idiag = 26 dE(Ry) = 0.000000000000054 residual = 0.000000066443640
1464 … ik = 57 is = 1 idiag = 1 dE(Ry) = 241.388483420127301 residual = 262.588425564604449
1465 … ik = 57 is = 1 idiag = 2 dE(Ry) = 53.864070995761551 residual = 70.710189208021973
1466 … ik = 57 is = 1 idiag = 3 dE(Ry) = 71.392220924468432 residual = 83.433600192021558
1467 … ik = 57 is = 1 idiag = 4 dE(Ry) = 48.150323968541116 residual = 55.824416000779962
1468 … ik = 57 is = 1 idiag = 5 dE(Ry) = 30.856335728144074 residual = 35.484972183427161
1469 … ik = 57 is = 1 idiag = 6 dE(Ry) = 18.414613446904056 residual = 21.294438400422241
1470 … ik = 57 is = 1 idiag = 7 dE(Ry) = 10.793359471252515 residual = 12.657977395800568
1471 … ik = 57 is = 1 idiag = 8 dE(Ry) = 6.037259479973342 residual = 8.646026773610851
1472 … ik = 57 is = 1 idiag = 9 dE(Ry) = 6.477188876718515 residual = 9.094195533008717
1473 … ik = 57 is = 1 idiag = 10 dE(Ry) = 3.524376698619916 residual = 5.486113377091976
1474 … ik = 57 is = 1 idiag = 11 dE(Ry) = 1.560861821452934 residual = 2.644978278566103
1475 … ik = 57 is = 1 idiag = 12 dE(Ry) = 0.734554008844301 residual = 3.414637931253958
1476 … ik = 57 is = 1 idiag = 13 dE(Ry) = 0.316071619536687 residual = 0.968524788056543
1477 … ik = 57 is = 1 idiag = 14 dE(Ry) = 0.013279109443374 residual = 0.141600390977477
1478 … ik = 57 is = 1 idiag = 15 dE(Ry) = 0.000292634255789 residual = 0.020883856074596
1479 … ik = 57 is = 1 idiag = 16 dE(Ry) = 0.000005598407872 residual = 0.002365887039996
1480 … ik = 57 is = 1 idiag = 17 dE(Ry) = 0.000000057569488 residual = 0.000224639058000
1481 … ik = 57 is = 1 idiag = 18 dE(Ry) = 0.000000000538345 residual = 0.000017276589481
1482 … ik = 57 is = 1 idiag = 19 dE(Ry) = 0.000000000003071 residual = 0.000001226833351
1483 … ik = 57 is = 1 idiag = 20 dE(Ry) = 0.000000000000643 residual = 0.000007816317009
1484 … ik = 57 is = 1 idiag = 21 dE(Ry) = 0.000000000090511 residual = 0.000100369351165
1485 … ik = 57 is = 1 idiag = 22 dE(Ry) = 0.000000000943160 residual = 0.000063419537798
1486 … ik = 57 is = 1 idiag = 23 dE(Ry) = 0.000000000037991 residual = 0.000005486716168
1487 … ik = 57 is = 1 idiag = 24 dE(Ry) = 0.000000000000275 residual = 0.000000472215446
1488 … ik = 57 is = 1 idiag = 25 dE(Ry) = 0.000000000000071 residual = 0.000000082562163
1489 … ik = 58 is = 1 idiag = 1 dE(Ry) = 241.410775890798817 residual = 262.643438738454165
1490 … ik = 58 is = 1 idiag = 2 dE(Ry) = 53.955463422243042 residual = 70.731529121496052
1491 … ik = 58 is = 1 idiag = 3 dE(Ry) = 71.682052776804483 residual = 83.577505770052156
1492 … ik = 58 is = 1 idiag = 4 dE(Ry) = 48.251788471916271 residual = 55.863576706738819
1493 … ik = 58 is = 1 idiag = 5 dE(Ry) = 30.761563904556468 residual = 35.486806887195591
1494 … ik = 58 is = 1 idiag = 6 dE(Ry) = 18.641832452962369 residual = 21.654042897611344
1495 … ik = 58 is = 1 idiag = 7 dE(Ry) = 10.570252487151002 residual = 12.287273785068955
1496 … ik = 58 is = 1 idiag = 8 dE(Ry) = 6.041319450818071 residual = 8.510819587164054
1497 … ik = 58 is = 1 idiag = 9 dE(Ry) = 6.720048135679729 residual = 9.207747317215249
1498 … ik = 58 is = 1 idiag = 10 dE(Ry) = 3.480321099595089 residual = 5.560977600002648
1499 … ik = 58 is = 1 idiag = 11 dE(Ry) = 1.755792569473897 residual = 2.752441645288094
1500 … ik = 58 is = 1 idiag = 12 dE(Ry) = 0.786641993004274 residual = 3.192421700002594
1501 … ik = 58 is = 1 idiag = 13 dE(Ry) = 0.270240624522089 residual = 0.922474848615613
1502 … ik = 58 is = 1 idiag = 14 dE(Ry) = 0.011720990152001 residual = 0.132935852008098
1503 … ik = 58 is = 1 idiag = 15 dE(Ry) = 0.000252497864285 residual = 0.017765900700125
1504 … ik = 58 is = 1 idiag = 16 dE(Ry) = 0.000004515381709 residual = 0.002198759696295
1505 … ik = 58 is = 1 idiag = 17 dE(Ry) = 0.000000051786531 residual = 0.000198474900835
1506 … ik = 58 is = 1 idiag = 18 dE(Ry) = 0.000000000420403 residual = 0.000015022620635
1507 … ik = 58 is = 1 idiag = 19 dE(Ry) = 0.000000000002459 residual = 0.000001049519997
1508 … ik = 58 is = 1 idiag = 20 dE(Ry) = 0.000000000000068 residual = 0.000001197965160
1509 … ik = 58 is = 1 idiag = 21 dE(Ry) = 0.000000000001913 residual = 0.000013734870427
1510 … ik = 58 is = 1 idiag = 22 dE(Ry) = 0.000000000035954 residual = 0.000025812974096
1511 … ik = 58 is = 1 idiag = 23 dE(Ry) = 0.000000000007677 residual = 0.000002799535455
1512 … ik = 58 is = 1 idiag = 24 dE(Ry) = 0.000000000000069 residual = 0.000000224871076
1513 … ik = 58 is = 1 idiag = 25 dE(Ry) = 0.000000000000086 residual = 0.000000076641334
1514 … ik = 59 is = 1 idiag = 1 dE(Ry) = 241.346750449576291 residual = 262.574806420994719
1515 … ik = 59 is = 1 idiag = 2 dE(Ry) = 53.676920480457341 residual = 70.543391460762777
1516 … ik = 59 is = 1 idiag = 3 dE(Ry) = 71.723471000117115 residual = 83.561651842440568
1517 … ik = 59 is = 1 idiag = 4 dE(Ry) = 47.869890011350392 residual = 55.467970809669943
1518 … ik = 59 is = 1 idiag = 5 dE(Ry) = 31.063222697230046 residual = 35.719360427015225
1519 … ik = 59 is = 1 idiag = 6 dE(Ry) = 18.552549834538617 residual = 21.470317562850017
1520 … ik = 59 is = 1 idiag = 7 dE(Ry) = 10.747805160362773 residual = 12.465348460991217
1521 … ik = 59 is = 1 idiag = 8 dE(Ry) = 6.482213824082200 residual = 9.633187557791025
1522 … ik = 59 is = 1 idiag = 9 dE(Ry) = 6.177940135696797 residual = 8.630549185558319
1523 … ik = 59 is = 1 idiag = 10 dE(Ry) = 3.518878590496715 residual = 5.681363289043689
1524 … ik = 59 is = 1 idiag = 11 dE(Ry) = 1.700907047716183 residual = 2.706303677028131
1525 … ik = 59 is = 1 idiag = 12 dE(Ry) = 0.743378448621241 residual = 3.409158670569709
1526 … ik = 59 is = 1 idiag = 13 dE(Ry) = 0.297144480245251 residual = 0.948749100599620
1527 … ik = 59 is = 1 idiag = 14 dE(Ry) = 0.012445660876453 residual = 0.151691622259139
1528 … ik = 59 is = 1 idiag = 15 dE(Ry) = 0.000325670596377 residual = 0.020765837071191
1529 … ik = 59 is = 1 idiag = 16 dE(Ry) = 0.000005688093256 residual = 0.002321691130461
1530 … ik = 59 is = 1 idiag = 17 dE(Ry) = 0.000000060510989 residual = 0.000225153709052
1531 … ik = 59 is = 1 idiag = 18 dE(Ry) = 0.000000000552757 residual = 0.000017296221401
1532 … ik = 59 is = 1 idiag = 19 dE(Ry) = 0.000000000003145 residual = 0.000001406795943
1533 … ik = 59 is = 1 idiag = 20 dE(Ry) = 0.000000000001879 residual = 0.000012992953804
1534 … ik = 59 is = 1 idiag = 21 dE(Ry) = 0.000000000221458 residual = 0.000139160483696
1535 … ik = 59 is = 1 idiag = 22 dE(Ry) = 0.000000000670664 residual = 0.000038162011256
1536 … ik = 59 is = 1 idiag = 23 dE(Ry) = 0.000000000014022 residual = 0.000003355892346
1537 … ik = 59 is = 1 idiag = 24 dE(Ry) = 0.000000000000129 residual = 0.000000303870385
1538 … ik = 59 is = 1 idiag = 25 dE(Ry) = 0.000000000000071 residual = 0.000000091328150
1539 … ik = 60 is = 1 idiag = 1 dE(Ry) = 241.179094887346224 residual = 262.559175510711270
1540 … ik = 60 is = 1 idiag = 2 dE(Ry) = 53.721384319754321 residual = 70.553047193581165
1541 … ik = 60 is = 1 idiag = 3 dE(Ry) = 71.565517117174352 residual = 83.421960494585704
1542 … ik = 60 is = 1 idiag = 4 dE(Ry) = 47.973137948046201 residual = 55.608542843267955
1543 … ik = 60 is = 1 idiag = 5 dE(Ry) = 30.719709690711966 residual = 35.262178249820131
1544 … ik = 60 is = 1 idiag = 6 dE(Ry) = 18.710497242568763 residual = 21.493890765559431
1545 … ik = 60 is = 1 idiag = 7 dE(Ry) = 10.875517926959628 residual = 12.645935737183354
1546 … ik = 60 is = 1 idiag = 8 dE(Ry) = 6.034989888430768 residual = 8.880763651348701
1547 … ik = 60 is = 1 idiag = 9 dE(Ry) = 6.895768078797307 residual = 9.366364585523975
1548 … ik = 60 is = 1 idiag = 10 dE(Ry) = 3.423548275575718 residual = 5.581698910392172
1549 … ik = 60 is = 1 idiag = 11 dE(Ry) = 1.855762689865880 residual = 2.678017054540778
1550 … ik = 60 is = 1 idiag = 12 dE(Ry) = 0.771690375845846 residual = 3.477885710497569
1551 … ik = 60 is = 1 idiag = 13 dE(Ry) = 0.302744740173464 residual = 0.991948013285166
1552 … ik = 60 is = 1 idiag = 14 dE(Ry) = 0.013190579732404 residual = 0.148948838723027
1553 … ik = 60 is = 1 idiag = 15 dE(Ry) = 0.000322500984662 residual = 0.020357354332418
1554 … ik = 60 is = 1 idiag = 16 dE(Ry) = 0.000005455261541 residual = 0.002346443531217
1555 … ik = 60 is = 1 idiag = 17 dE(Ry) = 0.000000060058738 residual = 0.000197976259786
1556 … ik = 60 is = 1 idiag = 18 dE(Ry) = 0.000000000415543 residual = 0.000014230721811
1557 … ik = 60 is = 1 idiag = 19 dE(Ry) = 0.000000000002069 residual = 0.000001001728104
1558 … ik = 60 is = 1 idiag = 20 dE(Ry) = 0.000000000000683 residual = 0.000008123998557
1559 … ik = 60 is = 1 idiag = 21 dE(Ry) = 0.000000000143717 residual = 0.000138572467896
1560 … ik = 60 is = 1 idiag = 22 dE(Ry) = 0.000000001547937 residual = 0.000064604770155
1561 … ik = 60 is = 1 idiag = 23 dE(Ry) = 0.000000000040024 residual = 0.000005821509821
1562 … ik = 60 is = 1 idiag = 24 dE(Ry) = 0.000000000000362 residual = 0.000000436693913
1563 … ik = 60 is = 1 idiag = 25 dE(Ry) = 0.000000000000071 residual = 0.000000074764037
1564 … ik = 61 is = 1 idiag = 1 dE(Ry) = 241.122071904882830 residual = 262.487056531430085
1565 … ik = 61 is = 1 idiag = 2 dE(Ry) = 53.741613467748181 residual = 70.789466188307088
1566 … ik = 61 is = 1 idiag = 3 dE(Ry) = 71.842734297486089 residual = 83.795006339431595
1567 … ik = 61 is = 1 idiag = 4 dE(Ry) = 47.930094544942818 residual = 55.420576159393114
1568 … ik = 61 is = 1 idiag = 5 dE(Ry) = 30.830462378971745 residual = 35.518471162530943
1569 … ik = 61 is = 1 idiag = 6 dE(Ry) = 18.627035517967322 residual = 21.514306901617079
1570 … ik = 61 is = 1 idiag = 7 dE(Ry) = 10.801611500316035 residual = 12.569817382569447
1571 … ik = 61 is = 1 idiag = 8 dE(Ry) = 5.695521968902295 residual = 8.297721347422099
1572 … ik = 61 is = 1 idiag = 9 dE(Ry) = 7.106384302882411 residual = 9.333234122683905
1573 … ik = 61 is = 1 idiag = 10 dE(Ry) = 3.458139611091338 residual = 5.623444827310879
1574 … ik = 61 is = 1 idiag = 11 dE(Ry) = 1.695254574578797 residual = 2.824954749546651
1575 … ik = 61 is = 1 idiag = 12 dE(Ry) = 0.762961950708349 residual = 3.371267395360413
1576 … ik = 61 is = 1 idiag = 13 dE(Ry) = 0.305435643628214 residual = 1.005684504521128
1577 … ik = 61 is = 1 idiag = 14 dE(Ry) = 0.012983212183728 residual = 0.147962818188443
1578 … ik = 61 is = 1 idiag = 15 dE(Ry) = 0.000304742678306 residual = 0.020408279479416
1579 … ik = 61 is = 1 idiag = 16 dE(Ry) = 0.000005697594170 residual = 0.002365928492582
1580 … ik = 61 is = 1 idiag = 17 dE(Ry) = 0.000000066308185 residual = 0.000233262102324
1581 … ik = 61 is = 1 idiag = 18 dE(Ry) = 0.000000000587287 residual = 0.000016998809354
1582 … ik = 61 is = 1 idiag = 19 dE(Ry) = 0.000000000003109 residual = 0.000001179562664
1583 … ik = 61 is = 1 idiag = 20 dE(Ry) = 0.000000000000853 residual = 0.000008865693189
1584 … ik = 61 is = 1 idiag = 21 dE(Ry) = 0.000000000079635 residual = 0.000076853145217
1585 … ik = 61 is = 1 idiag = 22 dE(Ry) = 0.000000000185308 residual = 0.000022498575561
1586 … ik = 61 is = 1 idiag = 23 dE(Ry) = 0.000000000005052 residual = 0.000002077315223
1587 … ik = 61 is = 1 idiag = 24 dE(Ry) = 0.000000000000063 residual = 0.000000173502433
1588 … ik = 61 is = 1 idiag = 25 dE(Ry) = 0.000000000000060 residual = 0.000000081722995
1589 … ik = 62 is = 1 idiag = 1 dE(Ry) = 241.054152878218844 residual = 262.412403827212643
1590 … ik = 62 is = 1 idiag = 2 dE(Ry) = 53.926357388301909 residual = 70.679801700688884
1591 … ik = 62 is = 1 idiag = 3 dE(Ry) = 71.756022425232146 residual = 83.525058474739069
1592 … ik = 62 is = 1 idiag = 4 dE(Ry) = 48.164251764864161 residual = 55.815462711870346
1593 … ik = 62 is = 1 idiag = 5 dE(Ry) = 30.891788281474767 residual = 35.577621728076572
1594 … ik = 62 is = 1 idiag = 6 dE(Ry) = 18.536021650388896 residual = 21.563742427221637
1595 … ik = 62 is = 1 idiag = 7 dE(Ry) = 10.594793638043082 residual = 12.324809299262046
1596 … ik = 62 is = 1 idiag = 8 dE(Ry) = 6.132585482841863 residual = 9.048324148435814
1597 … ik = 62 is = 1 idiag = 9 dE(Ry) = 6.964080873151012 residual = 9.316760773021727
1598 … ik = 62 is = 1 idiag = 10 dE(Ry) = 3.508858073157222 residual = 5.549634699161070
1599 … ik = 62 is = 1 idiag = 11 dE(Ry) = 1.976850009931884 residual = 2.678401559235492
1600 … ik = 62 is = 1 idiag = 12 dE(Ry) = 0.779949576595550 residual = 3.435431303655775
1601 … ik = 62 is = 1 idiag = 13 dE(Ry) = 0.309572602013472 residual = 0.907873630933894
1602 … ik = 62 is = 1 idiag = 14 dE(Ry) = 0.011651297531587 residual = 0.128916414117680
1603 … ik = 62 is = 1 idiag = 15 dE(Ry) = 0.000238183079076 residual = 0.016567314151933
1604 … ik = 62 is = 1 idiag = 16 dE(Ry) = 0.000003677584779 residual = 0.001810646612539
1605 … ik = 62 is = 1 idiag = 17 dE(Ry) = 0.000000036266988 residual = 0.000156469579555
1606 … ik = 62 is = 1 idiag = 18 dE(Ry) = 0.000000000260924 residual = 0.000011898068240
1607 … ik = 62 is = 1 idiag = 19 dE(Ry) = 0.000000000001465 residual = 0.000001169713413
1608 … ik = 62 is = 1 idiag = 20 dE(Ry) = 0.000000000001336 residual = 0.000010529829754
1609 … ik = 62 is = 1 idiag = 21 dE(Ry) = 0.000000000199925 residual = 0.000140733114235
1610 … ik = 62 is = 1 idiag = 22 dE(Ry) = 0.000000001100395 residual = 0.000055374957806
1611 … ik = 62 is = 1 idiag = 23 dE(Ry) = 0.000000000029996 residual = 0.000004978831505
1612 … ik = 62 is = 1 idiag = 24 dE(Ry) = 0.000000000000290 residual = 0.000000439025020
1613 … ik = 62 is = 1 idiag = 25 dE(Ry) = 0.000000000000080 residual = 0.000000062710116
1614 … ik = 63 is = 1 idiag = 1 dE(Ry) = 241.054366939133757 residual = 262.265237761018284
1615 … ik = 63 is = 1 idiag = 2 dE(Ry) = 53.757703847172820 residual = 70.873933740988946
1616 … ik = 63 is = 1 idiag = 3 dE(Ry) = 71.621562277206550 residual = 83.342649332521830
1617 … ik = 63 is = 1 idiag = 4 dE(Ry) = 47.984165490312691 residual = 55.618166521870705
1618 … ik = 63 is = 1 idiag = 5 dE(Ry) = 31.166361270196816 residual = 35.725189358532639
1619 … ik = 63 is = 1 idiag = 6 dE(Ry) = 18.409458023472659 residual = 21.296626342288487
1620 … ik = 63 is = 1 idiag = 7 dE(Ry) = 10.820787910514733 residual = 12.543225904841391
1621 … ik = 63 is = 1 idiag = 8 dE(Ry) = 6.086109353257364 residual = 9.272654837509934
1622 … ik = 63 is = 1 idiag = 9 dE(Ry) = 6.581354643055491 residual = 9.148141744553534
1623 … ik = 63 is = 1 idiag = 10 dE(Ry) = 3.493323793309015 residual = 5.538674970365678
1624 … ik = 63 is = 1 idiag = 11 dE(Ry) = 1.734308868544876 residual = 2.793772417048876
1625 … ik = 63 is = 1 idiag = 12 dE(Ry) = 0.756653475455657 residual = 3.452599199270051
1626 … ik = 63 is = 1 idiag = 13 dE(Ry) = 0.369717167794413 residual = 1.066072751031361
1627 … ik = 63 is = 1 idiag = 14 dE(Ry) = 0.017639042246156 residual = 0.156241024443380
1628 … ik = 63 is = 1 idiag = 15 dE(Ry) = 0.000343732452444 residual = 0.021014900855686
1629 … ik = 63 is = 1 idiag = 16 dE(Ry) = 0.000005945536111 residual = 0.002376759834210
1630 … ik = 63 is = 1 idiag = 17 dE(Ry) = 0.000000064867132 residual = 0.000213572718229
1631 … ik = 63 is = 1 idiag = 18 dE(Ry) = 0.000000000488735 residual = 0.000017027823420
1632 … ik = 63 is = 1 idiag = 19 dE(Ry) = 0.000000000003047 residual = 0.000001234831422
1633 … ik = 63 is = 1 idiag = 20 dE(Ry) = 0.000000000001094 residual = 0.000010245323113
1634 … ik = 63 is = 1 idiag = 21 dE(Ry) = 0.000000000117652 residual = 0.000101531331664
1635 … ik = 63 is = 1 idiag = 22 dE(Ry) = 0.000000000436521 residual = 0.000039944398005
1636 … ik = 63 is = 1 idiag = 23 dE(Ry) = 0.000000000015462 residual = 0.000003420954276
1637 … ik = 63 is = 1 idiag = 24 dE(Ry) = 0.000000000000077 residual = 0.000000311034402
1638 … ik = 63 is = 1 idiag = 25 dE(Ry) = 0.000000000000052 residual = 0.000000089335365
1639 … ik = 64 is = 1 idiag = 1 dE(Ry) = 241.311010925913479 residual = 262.619544192039257
1640 … ik = 64 is = 1 idiag = 2 dE(Ry) = 53.653494570302598 residual = 70.611839538463030
1641 … ik = 64 is = 1 idiag = 3 dE(Ry) = 71.986839268298354 residual = 83.736964034613848
1642 … ik = 64 is = 1 idiag = 4 dE(Ry) = 47.848932119511801 residual = 55.634007994573871
1643 … ik = 64 is = 1 idiag = 5 dE(Ry) = 30.903695087439942 residual = 35.629058785568276
1644 … ik = 64 is = 1 idiag = 6 dE(Ry) = 18.577779924466931 residual = 21.383400779973236
1645 … ik = 64 is = 1 idiag = 7 dE(Ry) = 10.527263789850517 residual = 12.373973740778201
1646 … ik = 64 is = 1 idiag = 8 dE(Ry) = 5.974600209909891 residual = 8.832897439535085
1647 … ik = 64 is = 1 idiag = 9 dE(Ry) = 6.828221273083095 residual = 9.276807333648041
1648 … ik = 64 is = 1 idiag = 10 dE(Ry) = 3.539407319957722 residual = 5.499597273938732
1649 … ik = 64 is = 1 idiag = 11 dE(Ry) = 1.869183358805468 residual = 2.792244445755159
1650 … ik = 64 is = 1 idiag = 12 dE(Ry) = 0.732004953348521 residual = 3.409828218146065
1651 … ik = 64 is = 1 idiag = 13 dE(Ry) = 0.327303484641572 residual = 0.929230739985673
1652 … ik = 64 is = 1 idiag = 14 dE(Ry) = 0.012438555352758 residual = 0.132516599187781
1653 … ik = 64 is = 1 idiag = 15 dE(Ry) = 0.000258192241352 residual = 0.018376236140039
1654 … ik = 64 is = 1 idiag = 16 dE(Ry) = 0.000004351958381 residual = 0.001980763330032
1655 … ik = 64 is = 1 idiag = 17 dE(Ry) = 0.000000045700117 residual = 0.000173488310949
1656 … ik = 64 is = 1 idiag = 18 dE(Ry) = 0.000000000332394 residual = 0.000013673250611
1657 … ik = 64 is = 1 idiag = 19 dE(Ry) = 0.000000000001918 residual = 0.000002841666613
1658 … ik = 64 is = 1 idiag = 20 dE(Ry) = 0.000000000010967 residual = 0.000033124136265
1659 … ik = 64 is = 1 idiag = 21 dE(Ry) = 0.000000000813643 residual = 0.000177530761374
1660 … ik = 64 is = 1 idiag = 22 dE(Ry) = 0.000000000370502 residual = 0.000020932718024
1661 … ik = 64 is = 1 idiag = 23 dE(Ry) = 0.000000000004230 residual = 0.000001763097241
1662 … ik = 64 is = 1 idiag = 24 dE(Ry) = 0.000000000000069 residual = 0.000000142929882
1663 … ik = 64 is = 1 idiag = 25 dE(Ry) = 0.000000000000061 residual = 0.000000069590012
1664 … ik = 65 is = 1 idiag = 1 dE(Ry) = 241.095685684675004 residual = 262.354176984452863
1665 … ik = 65 is = 1 idiag = 2 dE(Ry) = 53.753280364895517 residual = 70.802328110844797
1666 … ik = 65 is = 1 idiag = 3 dE(Ry) = 71.690000142390403 residual = 83.419655473001058
1667 … ik = 65 is = 1 idiag = 4 dE(Ry) = 48.125573872005091 residual = 55.761280183884566
1668 … ik = 65 is = 1 idiag = 5 dE(Ry) = 30.605740189205918 residual = 35.388416279564254
1669 … ik = 65 is = 1 idiag = 6 dE(Ry) = 18.882108696484430 residual = 21.648762876794343
1670 … ik = 65 is = 1 idiag = 7 dE(Ry) = 10.601987755136449 residual = 12.391692839954676
1671 … ik = 65 is = 1 idiag = 8 dE(Ry) = 6.574386235008795 residual = 9.434287619423678
1672 … ik = 65 is = 1 idiag = 9 dE(Ry) = 6.906037635754909 residual = 9.271421181362905
1673 … ik = 65 is = 1 idiag = 10 dE(Ry) = 3.558186904482822 residual = 5.585893419844508
1674 … ik = 65 is = 1 idiag = 11 dE(Ry) = 1.891608518712410 residual = 2.726410033773822
1675 … ik = 65 is = 1 idiag = 12 dE(Ry) = 0.740826570239905 residual = 3.413149837304946
1676 … ik = 65 is = 1 idiag = 13 dE(Ry) = 0.383612202451582 residual = 1.030058440494025
1677 … ik = 65 is = 1 idiag = 14 dE(Ry) = 0.016324780551971 residual = 0.147248518907233
1678 … ik = 65 is = 1 idiag = 15 dE(Ry) = 0.000285853596782 residual = 0.018769012328766
1679 … ik = 65 is = 1 idiag = 16 dE(Ry) = 0.000004529687936 residual = 0.002072061476876
1680 … ik = 65 is = 1 idiag = 17 dE(Ry) = 0.000000047970463 residual = 0.000198282046485
1681 … ik = 65 is = 1 idiag = 18 dE(Ry) = 0.000000000429366 residual = 0.000015793127142
1682 … ik = 65 is = 1 idiag = 19 dE(Ry) = 0.000000000002558 residual = 0.000001166332164
1683 … ik = 65 is = 1 idiag = 20 dE(Ry) = 0.000000000000066 residual = 0.000000083589166
1684 … ik = 66 is = 1 idiag = 1 dE(Ry) = 240.976040414989313 residual = 262.201234896719370
1685 … ik = 66 is = 1 idiag = 2 dE(Ry) = 53.870845350314482 residual = 70.756054415858941
1686 … ik = 66 is = 1 idiag = 3 dE(Ry) = 71.431939759202038 residual = 83.277594577350726
1687 … ik = 66 is = 1 idiag = 4 dE(Ry) = 48.041486460698110 residual = 55.606011641573154
1688 … ik = 66 is = 1 idiag = 5 dE(Ry) = 30.550220095509985 residual = 35.319918724092922
1689 … ik = 66 is = 1 idiag = 6 dE(Ry) = 18.652252828691868 residual = 21.383170914588646
1690 … ik = 66 is = 1 idiag = 7 dE(Ry) = 10.724642680253785 residual = 12.533396571912538
1691 … ik = 66 is = 1 idiag = 8 dE(Ry) = 6.132847897456850 residual = 8.799521673175278
1692 … ik = 66 is = 1 idiag = 9 dE(Ry) = 6.671355815550652 residual = 9.115358491332435
1693 … ik = 66 is = 1 idiag = 10 dE(Ry) = 3.539014990778227 residual = 5.472823847858417
1694 … ik = 66 is = 1 idiag = 11 dE(Ry) = 1.479292094819321 residual = 2.743931069858013
1695 … ik = 66 is = 1 idiag = 12 dE(Ry) = 0.777138104666353 residual = 3.263389883132304
1696 … ik = 66 is = 1 idiag = 13 dE(Ry) = 0.272022963560602 residual = 0.832193514590427
1697 … ik = 66 is = 1 idiag = 14 dE(Ry) = 0.009975288046652 residual = 0.116966584442683
1698 … ik = 66 is = 1 idiag = 15 dE(Ry) = 0.000186885825687 residual = 0.016069973878632
1699 … ik = 66 is = 1 idiag = 16 dE(Ry) = 0.000003489506900 residual = 0.001818723746122
1700 … ik = 66 is = 1 idiag = 17 dE(Ry) = 0.000000039274529 residual = 0.000184704800113
1701 … ik = 66 is = 1 idiag = 18 dE(Ry) = 0.000000000353085 residual = 0.000013644967992
1702 … ik = 66 is = 1 idiag = 19 dE(Ry) = 0.000000000001953 residual = 0.000000970026998
1703 … ik = 66 is = 1 idiag = 20 dE(Ry) = 0.000000000000065 residual = 0.000000067247094
1704 … ik = 67 is = 1 idiag = 1 dE(Ry) = 241.317876454044892 residual = 262.550643212677983
1705 … ik = 67 is = 1 idiag = 2 dE(Ry) = 53.710568258302857 residual = 70.673886029737346
1706 … ik = 67 is = 1 idiag = 3 dE(Ry) = 71.524667971191718 residual = 83.402717316469108
1707 … ik = 67 is = 1 idiag = 4 dE(Ry) = 48.012061985525420 residual = 55.695950291027700
1708 … ik = 67 is = 1 idiag = 5 dE(Ry) = 30.946583033287723 residual = 35.615188423858790
1709 … ik = 67 is = 1 idiag = 6 dE(Ry) = 18.613749557792602 residual = 21.386257082489113
1710 … ik = 67 is = 1 idiag = 7 dE(Ry) = 10.950594625647582 residual = 12.618212949359524
1711 … ik = 67 is = 1 idiag = 8 dE(Ry) = 6.966462776111520 residual = 10.232084205215179
1712 … ik = 67 is = 1 idiag = 9 dE(Ry) = 6.967584696125124 residual = 9.504309253160962
1713 … ik = 67 is = 1 idiag = 10 dE(Ry) = 3.582448963241915 residual = 5.545729470604013
1714 … ik = 67 is = 1 idiag = 11 dE(Ry) = 1.438438060735574 residual = 2.731288515575445
1715 … ik = 67 is = 1 idiag = 12 dE(Ry) = 0.773884767659475 residual = 3.363343041337422
1716 … ik = 67 is = 1 idiag = 13 dE(Ry) = 0.316005411955637 residual = 0.959701376711932
1717 … ik = 67 is = 1 idiag = 14 dE(Ry) = 0.011697915076191 residual = 0.139588942386658
1718 … ik = 67 is = 1 idiag = 15 dE(Ry) = 0.000260700256842 residual = 0.016420590974791
1719 … ik = 67 is = 1 idiag = 16 dE(Ry) = 0.000003697417327 residual = 0.001773168100425
1720 … ik = 67 is = 1 idiag = 17 dE(Ry) = 0.000000040759393 residual = 0.000190527620241
1721 … ik = 67 is = 1 idiag = 18 dE(Ry) = 0.000000000429058 residual = 0.000016201914013
1722 … ik = 67 is = 1 idiag = 19 dE(Ry) = 0.000000000002702 residual = 0.000001132143552
1723 … ik = 67 is = 1 idiag = 20 dE(Ry) = 0.000000000000061 residual = 0.000000080788993
1724 … ik = 68 is = 1 idiag = 1 dE(Ry) = 241.058574023836741 residual = 262.474422037085446
1725 … ik = 68 is = 1 idiag = 2 dE(Ry) = 53.791627073861093 residual = 70.620055161081652
1726 … ik = 68 is = 1 idiag = 3 dE(Ry) = 71.422746598382247 residual = 83.317520263361985
1727 … ik = 68 is = 1 idiag = 4 dE(Ry) = 48.070871524462078 residual = 55.608258047256470
1728 … ik = 68 is = 1 idiag = 5 dE(Ry) = 31.385925395380383 residual = 35.994224127918670
1729 … ik = 68 is = 1 idiag = 6 dE(Ry) = 18.461605623302049 residual = 21.376935254777496
1730 … ik = 68 is = 1 idiag = 7 dE(Ry) = 10.434334028309458 residual = 12.234551151764034
1731 … ik = 68 is = 1 idiag = 8 dE(Ry) = 6.767943035263089 residual = 9.306049286115309
1732 … ik = 68 is = 1 idiag = 9 dE(Ry) = 6.625198031618470 residual = 9.189475221101038
1733 … ik = 68 is = 1 idiag = 10 dE(Ry) = 3.455056509338284 residual = 5.612745801124404
1734 … ik = 68 is = 1 idiag = 11 dE(Ry) = 1.982622979675356 residual = 2.789494581108263
1735 … ik = 68 is = 1 idiag = 12 dE(Ry) = 0.757793588633334 residual = 3.484031659918999
1736 … ik = 68 is = 1 idiag = 13 dE(Ry) = 0.320940762155236 residual = 0.897823606353014
1737 … ik = 68 is = 1 idiag = 14 dE(Ry) = 0.011044530542646 residual = 0.128726310083184
1738 … ik = 68 is = 1 idiag = 15 dE(Ry) = 0.000226542386742 residual = 0.017094513378749
1739 … ik = 68 is = 1 idiag = 16 dE(Ry) = 0.000003715476774 residual = 0.002011314154165
1740 … ik = 68 is = 1 idiag = 17 dE(Ry) = 0.000000043802288 residual = 0.000189308918439
1741 … ik = 68 is = 1 idiag = 18 dE(Ry) = 0.000000000360846 residual = 0.000014273900666
1742 … ik = 68 is = 1 idiag = 19 dE(Ry) = 0.000000000001998 residual = 0.000000965697373
1743 … ik = 68 is = 1 idiag = 20 dE(Ry) = 0.000000000000058 residual = 0.000000071984429
1744 … ik = 69 is = 1 idiag = 1 dE(Ry) = 241.080313815995481 residual = 262.436632386910958
1745 … ik = 69 is = 1 idiag = 2 dE(Ry) = 53.916926517567447 residual = 70.878814664120725
1746 … ik = 69 is = 1 idiag = 3 dE(Ry) = 71.296155551538334 residual = 83.201808161024857
1747 … ik = 69 is = 1 idiag = 4 dE(Ry) = 47.920667829011236 residual = 55.607073017822159
1748 … ik = 69 is = 1 idiag = 5 dE(Ry) = 30.948625350937249 residual = 35.653312668678780
1749 … ik = 69 is = 1 idiag = 6 dE(Ry) = 18.447255600769402 residual = 21.369424588604740
1750 … ik = 69 is = 1 idiag = 7 dE(Ry) = 10.637541713204058 residual = 12.366429583265131
1751 … ik = 69 is = 1 idiag = 8 dE(Ry) = 6.184662663500848 residual = 8.187505851223813
1752 … ik = 69 is = 1 idiag = 9 dE(Ry) = 6.445444251825503 residual = 9.162771896332357
1753 … ik = 69 is = 1 idiag = 10 dE(Ry) = 3.482585797214722 residual = 5.638319769038262
1754 … ik = 69 is = 1 idiag = 11 dE(Ry) = 1.588178400178097 residual = 2.784389306283039
1755 … ik = 69 is = 1 idiag = 12 dE(Ry) = 0.779265849757644 residual = 3.382767632143329
1756 … ik = 69 is = 1 idiag = 13 dE(Ry) = 0.280108406026152 residual = 0.854786960931944
1757 … ik = 69 is = 1 idiag = 14 dE(Ry) = 0.011032738519991 residual = 0.131285426377206
1758 … ik = 69 is = 1 idiag = 15 dE(Ry) = 0.000246072223509 residual = 0.018440719656064
1759 … ik = 69 is = 1 idiag = 16 dE(Ry) = 0.000004385925112 residual = 0.002016443968889
1760 … ik = 69 is = 1 idiag = 17 dE(Ry) = 0.000000045893660 residual = 0.000182504132159
1761 … ik = 69 is = 1 idiag = 18 dE(Ry) = 0.000000000360781 residual = 0.000013666531744
1762 … ik = 69 is = 1 idiag = 19 dE(Ry) = 0.000000000001907 residual = 0.000000956858317
1763 … ik = 69 is = 1 idiag = 20 dE(Ry) = 0.000000000000070 residual = 0.000000075588257
1764 … ik = 70 is = 1 idiag = 1 dE(Ry) = 241.081739947017383 residual = 262.394802891767370
1765 … ik = 70 is = 1 idiag = 2 dE(Ry) = 53.995606146507612 residual = 70.786036440469218
1766 … ik = 70 is = 1 idiag = 3 dE(Ry) = 71.819620734895267 residual = 83.594461208072772
1767 … ik = 70 is = 1 idiag = 4 dE(Ry) = 47.822945068069245 residual = 55.486893198658720
1768 … ik = 70 is = 1 idiag = 5 dE(Ry) = 30.751525972954575 residual = 35.302677306935287
1769 … ik = 70 is = 1 idiag = 6 dE(Ry) = 18.588797645684771 residual = 21.555353368198109
1770 … ik = 70 is = 1 idiag = 7 dE(Ry) = 10.683214358701342 residual = 12.379612469619170
1771 … ik = 70 is = 1 idiag = 8 dE(Ry) = 5.805859961291577 residual = 8.497515016002653
1772 … ik = 70 is = 1 idiag = 9 dE(Ry) = 6.471041006571189 residual = 9.103793390211985
1773 … ik = 70 is = 1 idiag = 10 dE(Ry) = 3.492245101820361 residual = 5.517312719367276
1774 … ik = 70 is = 1 idiag = 11 dE(Ry) = 1.656987829587860 residual = 2.674204821195563
1775 … ik = 70 is = 1 idiag = 12 dE(Ry) = 0.764006750885588 residual = 3.384750072856945
1776 … ik = 70 is = 1 idiag = 13 dE(Ry) = 0.305300382281025 residual = 0.973952889376492
1777 … ik = 70 is = 1 idiag = 14 dE(Ry) = 0.012625735875160 residual = 0.131550856379003
1778 … ik = 70 is = 1 idiag = 15 dE(Ry) = 0.000235268348473 residual = 0.016121891239971
1779 … ik = 70 is = 1 idiag = 16 dE(Ry) = 0.000003195960617 residual = 0.001669562729211
1780 … ik = 70 is = 1 idiag = 17 dE(Ry) = 0.000000031697853 residual = 0.000163490816391
1781 … ik = 70 is = 1 idiag = 18 dE(Ry) = 0.000000000286149 residual = 0.000013042470590
1782 … ik = 70 is = 1 idiag = 19 dE(Ry) = 0.000000000001727 residual = 0.000000885322366
1783 … ik = 70 is = 1 idiag = 20 dE(Ry) = 0.000000000000061 residual = 0.000000067449658
1784 … ik = 71 is = 1 idiag = 1 dE(Ry) = 241.181482835756555 residual = 262.322324987361640
1785 … ik = 71 is = 1 idiag = 2 dE(Ry) = 53.807915111426070 residual = 70.661201348757331
1786 … ik = 71 is = 1 idiag = 3 dE(Ry) = 71.586182103843299 residual = 83.566310536313381
1787 … ik = 71 is = 1 idiag = 4 dE(Ry) = 48.021087018531887 residual = 55.741963778233028
1788 … ik = 71 is = 1 idiag = 5 dE(Ry) = 31.042636098315967 residual = 35.682546978325909
1789 … ik = 71 is = 1 idiag = 6 dE(Ry) = 18.399107187026488 residual = 21.189475071865591
1790 … ik = 71 is = 1 idiag = 7 dE(Ry) = 10.621145538440599 residual = 12.539085262664754
1791 … ik = 71 is = 1 idiag = 8 dE(Ry) = 6.145490868150192 residual = 9.539020213765992
1792 … ik = 71 is = 1 idiag = 9 dE(Ry) = 7.129094779948211 residual = 9.544694244883772
1793 … ik = 71 is = 1 idiag = 10 dE(Ry) = 3.506014589651777 residual = 5.565011586614023
1794 … ik = 71 is = 1 idiag = 11 dE(Ry) = 1.715805062900579 residual = 2.805510173919821
1795 … ik = 71 is = 1 idiag = 12 dE(Ry) = 0.755951301535791 residual = 3.327674475759017
1796 … ik = 71 is = 1 idiag = 13 dE(Ry) = 0.278786474161169 residual = 0.888785671067640
1797 … ik = 71 is = 1 idiag = 14 dE(Ry) = 0.011598659637640 residual = 0.127335493159794
1798 … ik = 71 is = 1 idiag = 15 dE(Ry) = 0.000221416756134 residual = 0.016784434568105
1799 … ik = 71 is = 1 idiag = 16 dE(Ry) = 0.000003644783778 residual = 0.001892274571147
1800 … ik = 71 is = 1 idiag = 17 dE(Ry) = 0.000000043232127 residual = 0.000179919839065
1801 … ik = 71 is = 1 idiag = 18 dE(Ry) = 0.000000000350192 residual = 0.000013744307230
1802 … ik = 71 is = 1 idiag = 19 dE(Ry) = 0.000000000001939 residual = 0.000000955603630
1803 … ik = 71 is = 1 idiag = 20 dE(Ry) = 0.000000000000069 residual = 0.000000070877645
1804 … ik = 72 is = 1 idiag = 1 dE(Ry) = 241.112235157176087 residual = 262.444511114936972
1805 … ik = 72 is = 1 idiag = 2 dE(Ry) = 53.874491547407104 residual = 70.740112171941846
1806 … ik = 72 is = 1 idiag = 3 dE(Ry) = 71.422144349818069 residual = 83.411740472421911
1807 … ik = 72 is = 1 idiag = 4 dE(Ry) = 47.835853870650226 residual = 55.512239703985003
1808 … ik = 72 is = 1 idiag = 5 dE(Ry) = 30.931521549793274 residual = 35.583933209468313
1809 … ik = 72 is = 1 idiag = 6 dE(Ry) = 18.651913795438933 residual = 21.593050634724321
1810 … ik = 72 is = 1 idiag = 7 dE(Ry) = 10.673959255883501 residual = 12.297769197831034
1811 … ik = 72 is = 1 idiag = 8 dE(Ry) = 6.049683215166586 residual = 9.055094678115763
1812 … ik = 72 is = 1 idiag = 9 dE(Ry) = 6.613532051502002 residual = 9.237846985170863
1813 … ik = 72 is = 1 idiag = 10 dE(Ry) = 3.518346133063826 residual = 5.575882293763154
1814 … ik = 72 is = 1 idiag = 11 dE(Ry) = 1.721812851063408 residual = 2.641148273944051
1815 … ik = 72 is = 1 idiag = 12 dE(Ry) = 0.767451844409652 residual = 3.349980807647985
1816 … ik = 72 is = 1 idiag = 13 dE(Ry) = 0.282077972208908 residual = 1.010161281782111
1817 … ik = 72 is = 1 idiag = 14 dE(Ry) = 0.014441041144108 residual = 0.143526020587757
1818 … ik = 72 is = 1 idiag = 15 dE(Ry) = 0.000286138603223 residual = 0.019215442640284
1819 … ik = 72 is = 1 idiag = 16 dE(Ry) = 0.000004640240317 residual = 0.002100646362228
1820 … ik = 72 is = 1 idiag = 17 dE(Ry) = 0.000000059872459 residual = 0.000254614304652
1821 … ik = 72 is = 1 idiag = 18 dE(Ry) = 0.000000000788653 residual = 0.000023263172384
1822 … ik = 72 is = 1 idiag = 19 dE(Ry) = 0.000000000006170 residual = 0.000001866915092
1823 … ik = 72 is = 1 idiag = 20 dE(Ry) = 0.000000000000061 residual = 0.000000141606139
1824 … ik = 72 is = 1 idiag = 21 dE(Ry) = 0.000000000000062 residual = 0.000000091304065
1837 Checking orthonormality for ik = 1 is = 1
1838 Checking orthonormality for ik = 2 is = 1
1839 Checking orthonormality for ik = 3 is = 1
1840 Checking orthonormality for ik = 4 is = 1
1841 Checking orthonormality for ik = 5 is = 1
1842 Checking orthonormality for ik = 6 is = 1
1843 Checking orthonormality for ik = 7 is = 1
1844 Checking orthonormality for ik = 8 is = 1
1845 Checking orthonormality for ik = 9 is = 1
1846 Checking orthonormality for ik = 10 is = 1
1847 Checking orthonormality for ik = 11 is = 1
1848 Checking orthonormality for ik = 12 is = 1
1849 Checking orthonormality for ik = 13 is = 1
1850 Checking orthonormality for ik = 14 is = 1
1851 Checking orthonormality for ik = 15 is = 1
1852 Checking orthonormality for ik = 16 is = 1
1853 Checking orthonormality for ik = 17 is = 1
1854 Checking orthonormality for ik = 18 is = 1
1855 Checking orthonormality for ik = 19 is = 1
1856 Checking orthonormality for ik = 20 is = 1
1857 Checking orthonormality for ik = 21 is = 1
1858 Checking orthonormality for ik = 22 is = 1
1859 Checking orthonormality for ik = 23 is = 1
1860 Checking orthonormality for ik = 24 is = 1
1861 Checking orthonormality for ik = 25 is = 1
1862 Checking orthonormality for ik = 26 is = 1
1863 Checking orthonormality for ik = 27 is = 1
1864 Checking orthonormality for ik = 28 is = 1
1865 Checking orthonormality for ik = 29 is = 1
1866 Checking orthonormality for ik = 30 is = 1
1867 Checking orthonormality for ik = 31 is = 1
1868 Checking orthonormality for ik = 32 is = 1
1869 Checking orthonormality for ik = 33 is = 1
1870 Checking orthonormality for ik = 34 is = 1
1871 Checking orthonormality for ik = 35 is = 1
1872 Checking orthonormality for ik = 36 is = 1
1873 Checking orthonormality for ik = 37 is = 1
1874 Checking orthonormality for ik = 38 is = 1
1875 Checking orthonormality for ik = 39 is = 1
1876 Checking orthonormality for ik = 40 is = 1
1877 Checking orthonormality for ik = 41 is = 1
1878 Checking orthonormality for ik = 42 is = 1
1879 Checking orthonormality for ik = 43 is = 1
1880 Checking orthonormality for ik = 44 is = 1
1881 Checking orthonormality for ik = 45 is = 1
1882 Checking orthonormality for ik = 46 is = 1
1883 Checking orthonormality for ik = 47 is = 1
1884 Checking orthonormality for ik = 48 is = 1
1885 Checking orthonormality for ik = 49 is = 1
1886 Checking orthonormality for ik = 50 is = 1
1887 Checking orthonormality for ik = 51 is = 1
1888 Checking orthonormality for ik = 52 is = 1
1889 Checking orthonormality for ik = 53 is = 1
1890 Checking orthonormality for ik = 54 is = 1
1891 Checking orthonormality for ik = 55 is = 1
1892 Checking orthonormality for ik = 56 is = 1
1893 Checking orthonormality for ik = 57 is = 1
1894 Checking orthonormality for ik = 58 is = 1
1895 Checking orthonormality for ik = 59 is = 1
1896 Checking orthonormality for ik = 60 is = 1
1897 Checking orthonormality for ik = 61 is = 1
1898 Checking orthonormality for ik = 62 is = 1
1899 Checking orthonormality for ik = 63 is = 1
1900 Checking orthonormality for ik = 64 is = 1
1901 Checking orthonormality for ik = 65 is = 1
1902 Checking orthonormality for ik = 66 is = 1
1903 Checking orthonormality for ik = 67 is = 1
1904 Checking orthonormality for ik = 68 is = 1
1905 Checking orthonormality for ik = 69 is = 1
1906 Checking orthonormality for ik = 70 is = 1
1907 Checking orthonormality for ik = 71 is = 1
1908 Checking orthonormality for ik = 72 is = 1