Lines Matching refs:ik
51 … ik = 1 is = 1 idiag = 1 dE(Ry) = 241.026495021026989 residual = 262.434489740396998
52 … ik = 1 is = 1 idiag = 2 dE(Ry) = 54.187983733900552 residual = 70.961230109170060
53 … ik = 1 is = 1 idiag = 3 dE(Ry) = 71.860087179434089 residual = 83.801022487570336
54 … ik = 1 is = 1 idiag = 4 dE(Ry) = 48.024377228283825 residual = 55.464653366297632
55 … ik = 1 is = 1 idiag = 5 dE(Ry) = 30.481847764788014 residual = 35.092708740156553
56 … ik = 1 is = 1 idiag = 6 dE(Ry) = 18.402628421417695 residual = 21.232127459398715
57 … ik = 1 is = 1 idiag = 7 dE(Ry) = 10.522856360287765 residual = 12.343615044822737
58 … ik = 1 is = 1 idiag = 8 dE(Ry) = 6.166524038307289 residual = 8.395114830761159
59 … ik = 1 is = 1 idiag = 9 dE(Ry) = 6.282872982966504 residual = 8.959977186042199
60 … ik = 1 is = 1 idiag = 10 dE(Ry) = 3.382541317457086 residual = 5.020706840879995
61 … ik = 1 is = 1 idiag = 11 dE(Ry) = 3.218954390386910 residual = 5.087617153159406
62 … ik = 1 is = 1 idiag = 12 dE(Ry) = 1.137962726956773 residual = 1.705572157971373
63 … ik = 1 is = 1 idiag = 13 dE(Ry) = 0.351079271999716 residual = 3.046505862652389
64 … ik = 1 is = 1 idiag = 14 dE(Ry) = 0.668525442171522 residual = 3.477375088403524
65 … ik = 1 is = 1 idiag = 15 dE(Ry) = 0.361275149197712 residual = 1.901865034160464
66 … ik = 1 is = 1 idiag = 16 dE(Ry) = 0.153428610327934 residual = 1.980548653882752
67 … ik = 1 is = 1 idiag = 17 dE(Ry) = 0.045487049105681 residual = 0.390851752164080
68 … ik = 1 is = 1 idiag = 18 dE(Ry) = 0.001646648527860 residual = 0.076703169666767
69 … ik = 1 is = 1 idiag = 19 dE(Ry) = 0.000093677162000 residual = 0.013746733339299
70 … ik = 1 is = 1 idiag = 20 dE(Ry) = 0.000002792274106 residual = 0.001860418986811
71 … ik = 1 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.001860416891370
72 … ik = 1 is = 1 idiag = 22 dE(Ry) = 0.000000041266693 residual = 0.000271027258319
73 … ik = 1 is = 1 idiag = 23 dE(Ry) = 0.000000001315301 residual = 0.000054941264646
74 … ik = 1 is = 1 idiag = 24 dE(Ry) = 0.000000000056530 residual = 0.000015107311648
75 … ik = 1 is = 1 idiag = 25 dE(Ry) = 0.000000000004572 residual = 0.000004031240164
76 … ik = 1 is = 1 idiag = 26 dE(Ry) = 0.000000000000334 residual = 0.000001112871496
77 … ik = 1 is = 1 idiag = 27 dE(Ry) = 0.000000000000033 residual = 0.000000596177211
78 … ik = 1 is = 1 idiag = 28 dE(Ry) = 0.000000000000016 residual = 0.000000247760636
79 … ik = 1 is = 1 idiag = 29 dE(Ry) = 0.000000000000021 residual = 0.000000061415170
80 … ik = 2 is = 1 idiag = 1 dE(Ry) = 241.636745959702097 residual = 263.114424689001737
81 … ik = 2 is = 1 idiag = 2 dE(Ry) = 53.839941091179469 residual = 70.769634243128408
82 … ik = 2 is = 1 idiag = 3 dE(Ry) = 72.176528883354763 residual = 84.072773934902656
83 … ik = 2 is = 1 idiag = 4 dE(Ry) = 48.211883801842788 residual = 55.685706920007220
84 … ik = 2 is = 1 idiag = 5 dE(Ry) = 30.677540866893025 residual = 35.323770111297854
85 … ik = 2 is = 1 idiag = 6 dE(Ry) = 18.174943432713306 residual = 21.041062460663255
86 … ik = 2 is = 1 idiag = 7 dE(Ry) = 10.648154669649038 residual = 12.307373815218957
87 … ik = 2 is = 1 idiag = 8 dE(Ry) = 5.906681829741085 residual = 8.193061596762272
88 … ik = 2 is = 1 idiag = 9 dE(Ry) = 5.946071621549939 residual = 8.829666103122454
89 … ik = 2 is = 1 idiag = 10 dE(Ry) = 3.704764011064452 residual = 5.585170313208597
90 … ik = 2 is = 1 idiag = 11 dE(Ry) = 3.278606793121022 residual = 5.134135730614585
91 … ik = 2 is = 1 idiag = 12 dE(Ry) = 1.217828007103483 residual = 1.817381955105954
92 … ik = 2 is = 1 idiag = 13 dE(Ry) = 0.430741622241564 residual = 3.157901103186314
93 … ik = 2 is = 1 idiag = 14 dE(Ry) = 0.563188233633711 residual = 3.427570771250737
94 … ik = 2 is = 1 idiag = 15 dE(Ry) = 0.289364019034849 residual = 2.365332480379977
95 … ik = 2 is = 1 idiag = 16 dE(Ry) = 0.291638309126808 residual = 0.850356324861816
96 … ik = 2 is = 1 idiag = 17 dE(Ry) = 0.013764915128389 residual = 0.175614047137051
97 … ik = 2 is = 1 idiag = 18 dE(Ry) = 0.000435709348995 residual = 0.022825890214480
98 … ik = 2 is = 1 idiag = 19 dE(Ry) = 0.000009961963537 residual = 0.004469429383720
99 … ik = 2 is = 1 idiag = 20 dE(Ry) = 0.000000295328944 residual = 0.000558739282327
100 … ik = 2 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.000558739204278
101 … ik = 2 is = 1 idiag = 22 dE(Ry) = 0.000000003851148 residual = 0.000079950367779
102 … ik = 2 is = 1 idiag = 23 dE(Ry) = 0.000000000110855 residual = 0.000014953468526
103 … ik = 2 is = 1 idiag = 24 dE(Ry) = 0.000000000004402 residual = 0.000004256506348
104 … ik = 2 is = 1 idiag = 25 dE(Ry) = 0.000000000000337 residual = 0.000001148914087
105 … ik = 2 is = 1 idiag = 26 dE(Ry) = 0.000000000000028 residual = 0.000000338765792
106 … ik = 2 is = 1 idiag = 27 dE(Ry) = 0.000000000000016 residual = 0.000000186299172
107 … ik = 2 is = 1 idiag = 28 dE(Ry) = 0.000000000000015 residual = 0.000000076835374
108 … ik = 3 is = 1 idiag = 1 dE(Ry) = 241.651006797792462 residual = 263.092223809055440
109 … ik = 3 is = 1 idiag = 2 dE(Ry) = 54.021241987967130 residual = 71.045360573270187
110 … ik = 3 is = 1 idiag = 3 dE(Ry) = 71.656262030378912 residual = 83.760404056719949
111 … ik = 3 is = 1 idiag = 4 dE(Ry) = 48.465276498653964 residual = 55.850352976690424
112 … ik = 3 is = 1 idiag = 5 dE(Ry) = 30.685130518381726 residual = 35.476678470191018
113 … ik = 3 is = 1 idiag = 6 dE(Ry) = 18.364838005490764 residual = 21.256625918089618
114 … ik = 3 is = 1 idiag = 7 dE(Ry) = 10.515528735375154 residual = 12.198273562924467
115 … ik = 3 is = 1 idiag = 8 dE(Ry) = 5.842084434322278 residual = 8.278814778176265
116 … ik = 3 is = 1 idiag = 9 dE(Ry) = 6.196603283049615 residual = 8.930314109534095
117 … ik = 3 is = 1 idiag = 10 dE(Ry) = 3.740629725109345 residual = 5.582422992486234
118 … ik = 3 is = 1 idiag = 11 dE(Ry) = 3.218122006019259 residual = 5.175630779677058
119 … ik = 3 is = 1 idiag = 12 dE(Ry) = 1.284550161336489 residual = 1.912729270821947
120 … ik = 3 is = 1 idiag = 13 dE(Ry) = 0.318014796766259 residual = 2.692002575048637
121 … ik = 3 is = 1 idiag = 14 dE(Ry) = 0.677028747629437 residual = 3.560677138383659
122 … ik = 3 is = 1 idiag = 15 dE(Ry) = 0.385006701341888 residual = 2.016808775575869
123 … ik = 3 is = 1 idiag = 16 dE(Ry) = 0.161665019033315 residual = 1.951241406995327
124 … ik = 3 is = 1 idiag = 17 dE(Ry) = 0.044731221191412 residual = 0.315242215721657
125 … ik = 3 is = 1 idiag = 18 dE(Ry) = 0.001273280028901 residual = 0.058078781800784
126 … ik = 3 is = 1 idiag = 19 dE(Ry) = 0.000051698754401 residual = 0.009929264151894
127 … ik = 3 is = 1 idiag = 20 dE(Ry) = 0.000001320249512 residual = 0.001217711795741
128 … ik = 3 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.001217711080030
129 … ik = 3 is = 1 idiag = 22 dE(Ry) = 0.000000017661673 residual = 0.000181487218184
130 … ik = 3 is = 1 idiag = 23 dE(Ry) = 0.000000000528932 residual = 0.000034858248343
131 … ik = 3 is = 1 idiag = 24 dE(Ry) = 0.000000000020339 residual = 0.000008886761024
132 … ik = 3 is = 1 idiag = 25 dE(Ry) = 0.000000000001481 residual = 0.000002379982739
133 … ik = 3 is = 1 idiag = 26 dE(Ry) = 0.000000000000110 residual = 0.000000618054451
134 … ik = 3 is = 1 idiag = 27 dE(Ry) = 0.000000000000020 residual = 0.000000316864739
135 … ik = 3 is = 1 idiag = 28 dE(Ry) = 0.000000000000016 residual = 0.000000127447030
136 … ik = 3 is = 1 idiag = 29 dE(Ry) = 0.000000000000016 residual = 0.000000050237413
137 … ik = 4 is = 1 idiag = 1 dE(Ry) = 240.919190722944535 residual = 262.370689713793752
138 … ik = 4 is = 1 idiag = 2 dE(Ry) = 53.832249475005824 residual = 70.785425769969663
139 … ik = 4 is = 1 idiag = 3 dE(Ry) = 71.622043241998739 residual = 83.605562557975944
140 … ik = 4 is = 1 idiag = 4 dE(Ry) = 47.921913581870797 residual = 55.501352634699614
141 … ik = 4 is = 1 idiag = 5 dE(Ry) = 30.566358316012000 residual = 35.189186700035350
142 … ik = 4 is = 1 idiag = 6 dE(Ry) = 18.263863817278690 residual = 21.048292521999610
143 … ik = 4 is = 1 idiag = 7 dE(Ry) = 10.261229837908004 residual = 12.046233149730668
144 … ik = 4 is = 1 idiag = 8 dE(Ry) = 6.225567073275577 residual = 8.205983413278298
145 … ik = 4 is = 1 idiag = 9 dE(Ry) = 5.586063563969999 residual = 8.466838012638780
146 … ik = 4 is = 1 idiag = 10 dE(Ry) = 3.838939806753664 residual = 5.502888930196773
147 … ik = 4 is = 1 idiag = 11 dE(Ry) = 3.285876643600273 residual = 5.199516343201375
148 … ik = 4 is = 1 idiag = 12 dE(Ry) = 1.266286054427760 residual = 1.873090160941179
149 … ik = 4 is = 1 idiag = 13 dE(Ry) = 0.249189381346912 residual = 2.858818556868465
150 … ik = 4 is = 1 idiag = 14 dE(Ry) = 0.572103334027444 residual = 3.092277430860332
151 … ik = 4 is = 1 idiag = 15 dE(Ry) = 0.515051154784184 residual = 1.539361947890818
152 … ik = 4 is = 1 idiag = 16 dE(Ry) = 0.332879201840483 residual = 1.303257194591552
153 … ik = 4 is = 1 idiag = 17 dE(Ry) = 0.024554250361983 residual = 0.273093533029859
154 … ik = 4 is = 1 idiag = 18 dE(Ry) = 0.001152751033999 residual = 0.048656935622588
155 … ik = 4 is = 1 idiag = 19 dE(Ry) = 0.000039134361392 residual = 0.008419972767308
156 … ik = 4 is = 1 idiag = 20 dE(Ry) = 0.000000962002678 residual = 0.001023648153158
157 … ik = 4 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.001023647701124
158 … ik = 4 is = 1 idiag = 22 dE(Ry) = 0.000000012313738 residual = 0.000154502655751
159 … ik = 4 is = 1 idiag = 23 dE(Ry) = 0.000000000376070 residual = 0.000027720619236
160 … ik = 4 is = 1 idiag = 24 dE(Ry) = 0.000000000013929 residual = 0.000007951718348
161 … ik = 4 is = 1 idiag = 25 dE(Ry) = 0.000000000001171 residual = 0.000002141507174
162 … ik = 4 is = 1 idiag = 26 dE(Ry) = 0.000000000000082 residual = 0.000000493022856
163 … ik = 4 is = 1 idiag = 27 dE(Ry) = 0.000000000000014 residual = 0.000000236790427
164 … ik = 4 is = 1 idiag = 28 dE(Ry) = 0.000000000000020 residual = 0.000000108654767
165 … ik = 4 is = 1 idiag = 29 dE(Ry) = 0.000000000000016 residual = 0.000000038861157
166 … ik = 5 is = 1 idiag = 1 dE(Ry) = 240.805750140819157 residual = 262.430338223832337
167 … ik = 5 is = 1 idiag = 2 dE(Ry) = 53.949333924816102 residual = 71.008955433896091
168 … ik = 5 is = 1 idiag = 3 dE(Ry) = 71.663493484111342 residual = 83.529728972388767
169 … ik = 5 is = 1 idiag = 4 dE(Ry) = 47.827311181756514 residual = 55.436570946645062
170 … ik = 5 is = 1 idiag = 5 dE(Ry) = 30.388865775312766 residual = 34.838479829019199
171 … ik = 5 is = 1 idiag = 6 dE(Ry) = 18.276158697177767 residual = 21.285553006519162
172 … ik = 5 is = 1 idiag = 7 dE(Ry) = 10.837211490629489 residual = 12.551965431662405
173 … ik = 5 is = 1 idiag = 8 dE(Ry) = 6.185699909656728 residual = 8.673187186322867
174 … ik = 5 is = 1 idiag = 9 dE(Ry) = 6.166132036122658 residual = 8.741559321502118
175 … ik = 5 is = 1 idiag = 10 dE(Ry) = 3.160097933599587 residual = 4.825148150713157
176 … ik = 5 is = 1 idiag = 11 dE(Ry) = 3.382275430050696 residual = 5.148506678638440
177 … ik = 5 is = 1 idiag = 12 dE(Ry) = 1.102620900828978 residual = 1.662594949295093
178 … ik = 5 is = 1 idiag = 13 dE(Ry) = 0.309346603494908 residual = 2.769729795156941
179 … ik = 5 is = 1 idiag = 14 dE(Ry) = 0.512542934044845 residual = 3.592545498430979
180 … ik = 5 is = 1 idiag = 15 dE(Ry) = 0.453676662435360 residual = 2.312308665833757
181 … ik = 5 is = 1 idiag = 16 dE(Ry) = 0.436645949021952 residual = 0.950494170413745
182 … ik = 5 is = 1 idiag = 17 dE(Ry) = 0.016368027798253 residual = 0.193654633663166
183 … ik = 5 is = 1 idiag = 18 dE(Ry) = 0.000650741014755 residual = 0.035065574156516
184 … ik = 5 is = 1 idiag = 19 dE(Ry) = 0.000021325544425 residual = 0.006277017312012
185 … ik = 5 is = 1 idiag = 20 dE(Ry) = 0.000000562384783 residual = 0.000804490468452
186 … ik = 5 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.000804490271883
187 … ik = 5 is = 1 idiag = 22 dE(Ry) = 0.000000007829172 residual = 0.000118576497720
188 … ik = 5 is = 1 idiag = 23 dE(Ry) = 0.000000000260178 residual = 0.000022398422168
189 … ik = 5 is = 1 idiag = 24 dE(Ry) = 0.000000000009387 residual = 0.000006555575138
190 … ik = 5 is = 1 idiag = 25 dE(Ry) = 0.000000000000768 residual = 0.000001752245581
191 … ik = 5 is = 1 idiag = 26 dE(Ry) = 0.000000000000052 residual = 0.000000407717777
192 … ik = 5 is = 1 idiag = 27 dE(Ry) = 0.000000000000016 residual = 0.000000194261866
193 … ik = 5 is = 1 idiag = 28 dE(Ry) = 0.000000000000015 residual = 0.000000085239342
194 … ik = 6 is = 1 idiag = 1 dE(Ry) = 241.166954266291583 residual = 262.674687128545770
195 … ik = 6 is = 1 idiag = 2 dE(Ry) = 53.481950023351061 residual = 70.471286987853944
196 … ik = 6 is = 1 idiag = 3 dE(Ry) = 71.618045250231262 residual = 83.420640698057255
197 … ik = 6 is = 1 idiag = 4 dE(Ry) = 48.050920387716815 residual = 55.542437471410857
198 … ik = 6 is = 1 idiag = 5 dE(Ry) = 30.595842735861574 residual = 35.150071289599616
199 … ik = 6 is = 1 idiag = 6 dE(Ry) = 18.467732329908522 residual = 21.130945511166001
200 … ik = 6 is = 1 idiag = 7 dE(Ry) = 10.440649150271431 residual = 12.098521991922025
201 … ik = 6 is = 1 idiag = 8 dE(Ry) = 6.222832781125429 residual = 8.932435959327904
202 … ik = 6 is = 1 idiag = 9 dE(Ry) = 6.068501388379919 residual = 8.863890139921796
203 … ik = 6 is = 1 idiag = 10 dE(Ry) = 3.675876716411270 residual = 5.495680946211454
204 … ik = 6 is = 1 idiag = 11 dE(Ry) = 3.294117106963402 residual = 5.150457720054262
205 … ik = 6 is = 1 idiag = 12 dE(Ry) = 1.313506624249575 residual = 1.910660907503634
206 … ik = 6 is = 1 idiag = 13 dE(Ry) = 0.238194707547111 residual = 2.720209659284006
207 … ik = 6 is = 1 idiag = 14 dE(Ry) = 0.593822964518780 residual = 3.676416307686477
208 … ik = 6 is = 1 idiag = 15 dE(Ry) = 0.433995289236303 residual = 3.705482129891772
209 … ik = 6 is = 1 idiag = 16 dE(Ry) = 0.227535715081243 residual = 0.720277024905028
210 … ik = 6 is = 1 idiag = 17 dE(Ry) = 0.008995355661991 residual = 0.165254049386425
211 … ik = 6 is = 1 idiag = 18 dE(Ry) = 0.000499578182420 residual = 0.036907043632109
212 … ik = 6 is = 1 idiag = 19 dE(Ry) = 0.000021906688632 residual = 0.006801247699775
213 … ik = 6 is = 1 idiag = 20 dE(Ry) = 0.000000665533615 residual = 0.000896574963354
214 … ik = 6 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.000896574716339
215 … ik = 6 is = 1 idiag = 22 dE(Ry) = 0.000000009886501 residual = 0.000136788898039
216 … ik = 6 is = 1 idiag = 23 dE(Ry) = 0.000000000324629 residual = 0.000028241758989
217 … ik = 6 is = 1 idiag = 24 dE(Ry) = 0.000000000015038 residual = 0.000008195839675
218 … ik = 6 is = 1 idiag = 25 dE(Ry) = 0.000000000001318 residual = 0.000001913575328
219 … ik = 6 is = 1 idiag = 26 dE(Ry) = 0.000000000000062 residual = 0.000000471085864
220 … ik = 6 is = 1 idiag = 27 dE(Ry) = 0.000000000000014 residual = 0.000000220677059
221 … ik = 6 is = 1 idiag = 28 dE(Ry) = 0.000000000000013 residual = 0.000000085157670
222 … ik = 7 is = 1 idiag = 1 dE(Ry) = 241.040942729935267 residual = 262.681406132914844
223 … ik = 7 is = 1 idiag = 2 dE(Ry) = 53.513181815491777 residual = 70.694419819270152
224 … ik = 7 is = 1 idiag = 3 dE(Ry) = 71.797797553699326 residual = 83.583058407776221
225 … ik = 7 is = 1 idiag = 4 dE(Ry) = 48.115223325732629 residual = 55.558792181499363
226 … ik = 7 is = 1 idiag = 5 dE(Ry) = 30.820887109428568 residual = 35.317635639925314
227 … ik = 7 is = 1 idiag = 6 dE(Ry) = 18.535634692250589 residual = 21.413193100822848
228 … ik = 7 is = 1 idiag = 7 dE(Ry) = 10.335807654965279 residual = 12.138364732828880
229 … ik = 7 is = 1 idiag = 8 dE(Ry) = 6.136044032540223 residual = 8.842267455477751
230 … ik = 7 is = 1 idiag = 9 dE(Ry) = 6.229114087101243 residual = 8.839511774256589
231 … ik = 7 is = 1 idiag = 10 dE(Ry) = 3.164332829228945 residual = 4.759160581279168
232 … ik = 7 is = 1 idiag = 11 dE(Ry) = 3.268928731846726 residual = 5.094161847546886
233 … ik = 7 is = 1 idiag = 12 dE(Ry) = 1.149554396545845 residual = 1.767285008502116
234 … ik = 7 is = 1 idiag = 13 dE(Ry) = 0.347287749574312 residual = 2.727956021832991
235 … ik = 7 is = 1 idiag = 14 dE(Ry) = 0.552525136181147 residual = 3.027971590365076
236 … ik = 7 is = 1 idiag = 15 dE(Ry) = 0.492296256471463 residual = 3.082413124073242
237 … ik = 7 is = 1 idiag = 16 dE(Ry) = 0.470888126853712 residual = 1.880102466723779
238 … ik = 7 is = 1 idiag = 17 dE(Ry) = 0.038666077727800 residual = 0.394872743666499
239 … ik = 7 is = 1 idiag = 18 dE(Ry) = 0.002682272934368 residual = 0.073240571506659
240 … ik = 7 is = 1 idiag = 19 dE(Ry) = 0.000075427983450 residual = 0.009782158854554
241 … ik = 7 is = 1 idiag = 20 dE(Ry) = 0.000001280621302 residual = 0.001184664124694
242 … ik = 7 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.001184663432519
243 … ik = 7 is = 1 idiag = 22 dE(Ry) = 0.000000017328127 residual = 0.000181719031073
244 … ik = 7 is = 1 idiag = 23 dE(Ry) = 0.000000000555419 residual = 0.000031744272152
245 … ik = 7 is = 1 idiag = 24 dE(Ry) = 0.000000000017035 residual = 0.000007827708907
246 … ik = 7 is = 1 idiag = 25 dE(Ry) = 0.000000000001237 residual = 0.000002185682823
247 … ik = 7 is = 1 idiag = 26 dE(Ry) = 0.000000000000107 residual = 0.000000758511827
248 … ik = 7 is = 1 idiag = 27 dE(Ry) = 0.000000000000019 residual = 0.000000397666292
249 … ik = 7 is = 1 idiag = 28 dE(Ry) = 0.000000000000020 residual = 0.000000142645133
250 … ik = 7 is = 1 idiag = 29 dE(Ry) = 0.000000000000018 residual = 0.000000042256510
251 … ik = 8 is = 1 idiag = 1 dE(Ry) = 240.979344050069869 residual = 262.568377469360598
252 … ik = 8 is = 1 idiag = 2 dE(Ry) = 53.718007341242043 residual = 70.757493558336577
253 … ik = 8 is = 1 idiag = 3 dE(Ry) = 71.418544096976916 residual = 83.237181684456303
254 … ik = 8 is = 1 idiag = 4 dE(Ry) = 47.853450755994757 residual = 55.394568802712058
255 … ik = 8 is = 1 idiag = 5 dE(Ry) = 30.607891874011713 residual = 35.309509373518907
256 … ik = 8 is = 1 idiag = 6 dE(Ry) = 18.422095150644306 residual = 21.303633687864650
257 … ik = 8 is = 1 idiag = 7 dE(Ry) = 10.481554176727522 residual = 12.185568326421478
258 … ik = 8 is = 1 idiag = 8 dE(Ry) = 5.787203859776671 residual = 7.955288512260118
259 … ik = 8 is = 1 idiag = 9 dE(Ry) = 5.774932791407230 residual = 8.715765589852504
260 … ik = 8 is = 1 idiag = 10 dE(Ry) = 3.579397243997442 residual = 5.435296856319300
261 … ik = 8 is = 1 idiag = 11 dE(Ry) = 3.227372862452305 residual = 5.192383582081049
262 … ik = 8 is = 1 idiag = 12 dE(Ry) = 1.696796971271969 residual = 2.334597341048737
263 … ik = 8 is = 1 idiag = 13 dE(Ry) = 0.318674867812246 residual = 2.734148368053360
264 … ik = 8 is = 1 idiag = 14 dE(Ry) = 0.613724715685456 residual = 3.131160100652190
265 … ik = 8 is = 1 idiag = 15 dE(Ry) = 0.501264474269348 residual = 3.387097825942543
266 … ik = 8 is = 1 idiag = 16 dE(Ry) = 0.509751820531447 residual = 1.129093187147523
267 … ik = 8 is = 1 idiag = 17 dE(Ry) = 0.026901970867553 residual = 0.265532381943721
268 … ik = 8 is = 1 idiag = 18 dE(Ry) = 0.001293936823823 residual = 0.058394414826975
269 … ik = 8 is = 1 idiag = 19 dE(Ry) = 0.000046887844012 residual = 0.009014614762075
270 … ik = 8 is = 1 idiag = 20 dE(Ry) = 0.000001099305536 residual = 0.001120124212591
271 … ik = 8 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.001120123673154
272 … ik = 8 is = 1 idiag = 22 dE(Ry) = 0.000000014491470 residual = 0.000163439092824
273 … ik = 8 is = 1 idiag = 23 dE(Ry) = 0.000000000449454 residual = 0.000027623756767
274 … ik = 8 is = 1 idiag = 24 dE(Ry) = 0.000000000015201 residual = 0.000008313034777
275 … ik = 8 is = 1 idiag = 25 dE(Ry) = 0.000000000001310 residual = 0.000002206323916
276 … ik = 8 is = 1 idiag = 26 dE(Ry) = 0.000000000000112 residual = 0.000000759405942
277 … ik = 8 is = 1 idiag = 27 dE(Ry) = 0.000000000000016 residual = 0.000000414467699
278 … ik = 8 is = 1 idiag = 28 dE(Ry) = 0.000000000000014 residual = 0.000000130065628
279 … ik = 8 is = 1 idiag = 29 dE(Ry) = 0.000000000000018 residual = 0.000000032524316
280 … ik = 9 is = 1 idiag = 1 dE(Ry) = 241.185417716675289 residual = 262.694037853407792
281 … ik = 9 is = 1 idiag = 2 dE(Ry) = 53.798688751813614 residual = 70.776104163536829
282 … ik = 9 is = 1 idiag = 3 dE(Ry) = 71.742730525940544 residual = 83.424687733365616
283 … ik = 9 is = 1 idiag = 4 dE(Ry) = 48.059112495439777 residual = 55.698918844923803
284 … ik = 9 is = 1 idiag = 5 dE(Ry) = 30.599040604816182 residual = 35.151720833701191
285 … ik = 9 is = 1 idiag = 6 dE(Ry) = 18.241339802363029 residual = 20.953560747837429
286 … ik = 9 is = 1 idiag = 7 dE(Ry) = 10.440648986262069 residual = 12.254186272585164
287 … ik = 9 is = 1 idiag = 8 dE(Ry) = 5.832311172071252 residual = 7.745543213030166
288 … ik = 9 is = 1 idiag = 9 dE(Ry) = 5.979548747195658 residual = 8.812260949457620
289 … ik = 9 is = 1 idiag = 10 dE(Ry) = 3.403866642847778 residual = 5.197552787607836
290 … ik = 9 is = 1 idiag = 11 dE(Ry) = 3.271514527140671 residual = 5.000400933178553
291 … ik = 9 is = 1 idiag = 12 dE(Ry) = 1.019980174946876 residual = 1.595995882247329
292 … ik = 9 is = 1 idiag = 13 dE(Ry) = 0.315877822639308 residual = 2.612124408279007
293 … ik = 9 is = 1 idiag = 14 dE(Ry) = 0.564340210094714 residual = 3.397497025509203
294 … ik = 9 is = 1 idiag = 15 dE(Ry) = 0.497200981178847 residual = 4.095095836390538
295 … ik = 9 is = 1 idiag = 16 dE(Ry) = 0.468809763021987 residual = 0.960002218068451
296 … ik = 9 is = 1 idiag = 17 dE(Ry) = 0.028959793106992 residual = 0.284263947939229
297 … ik = 9 is = 1 idiag = 18 dE(Ry) = 0.001317851403622 residual = 0.047941532720609
298 … ik = 9 is = 1 idiag = 19 dE(Ry) = 0.000037867123628 residual = 0.008440702842249
299 … ik = 9 is = 1 idiag = 20 dE(Ry) = 0.000001068862465 residual = 0.001149773638271
300 … ik = 9 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.001149773141448
301 … ik = 9 is = 1 idiag = 22 dE(Ry) = 0.000000017352297 residual = 0.000168760210601
302 … ik = 9 is = 1 idiag = 23 dE(Ry) = 0.000000000553084 residual = 0.000039678833564
303 … ik = 9 is = 1 idiag = 24 dE(Ry) = 0.000000000030908 residual = 0.000010950408566
304 … ik = 9 is = 1 idiag = 25 dE(Ry) = 0.000000000002359 residual = 0.000002632356626
305 … ik = 9 is = 1 idiag = 26 dE(Ry) = 0.000000000000147 residual = 0.000000768676270
306 … ik = 9 is = 1 idiag = 27 dE(Ry) = 0.000000000000017 residual = 0.000000427334872
307 … ik = 9 is = 1 idiag = 28 dE(Ry) = 0.000000000000018 residual = 0.000000177101490
308 … ik = 9 is = 1 idiag = 29 dE(Ry) = 0.000000000000014 residual = 0.000000057490478
309 … ik = 10 is = 1 idiag = 1 dE(Ry) = 241.091148948855619 residual = 262.631277743060082
310 … ik = 10 is = 1 idiag = 2 dE(Ry) = 53.679222163361857 residual = 70.745423798907964
311 … ik = 10 is = 1 idiag = 3 dE(Ry) = 71.603818679957698 residual = 83.520347812944749
312 … ik = 10 is = 1 idiag = 4 dE(Ry) = 48.211972810010849 residual = 55.747021840221777
313 … ik = 10 is = 1 idiag = 5 dE(Ry) = 30.551735191801967 residual = 35.048097209765871
314 … ik = 10 is = 1 idiag = 6 dE(Ry) = 18.366349830821669 residual = 21.071488229964309
315 … ik = 10 is = 1 idiag = 7 dE(Ry) = 10.320034519289589 residual = 12.104666797200297
316 … ik = 10 is = 1 idiag = 8 dE(Ry) = 6.457073671069574 residual = 9.532258193522559
317 … ik = 10 is = 1 idiag = 9 dE(Ry) = 5.915340373505716 residual = 8.841475917556807
318 … ik = 10 is = 1 idiag = 10 dE(Ry) = 3.445217893428762 residual = 5.196152629310200
319 … ik = 10 is = 1 idiag = 11 dE(Ry) = 3.245068298826147 residual = 5.138472609322325
320 … ik = 10 is = 1 idiag = 12 dE(Ry) = 1.460948030829492 residual = 2.098014180505904
321 … ik = 10 is = 1 idiag = 13 dE(Ry) = 0.236397212559975 residual = 2.849038161020908
322 … ik = 10 is = 1 idiag = 14 dE(Ry) = 0.605540734466900 residual = 2.696384755697378
323 … ik = 10 is = 1 idiag = 15 dE(Ry) = 0.494096619355483 residual = 1.606708595311320
324 … ik = 10 is = 1 idiag = 16 dE(Ry) = 0.327800599469836 residual = 1.337292990451907
325 … ik = 10 is = 1 idiag = 17 dE(Ry) = 0.035884126789875 residual = 0.336936378473082
326 … ik = 10 is = 1 idiag = 18 dE(Ry) = 0.002210505449525 residual = 0.075406245830207
327 … ik = 10 is = 1 idiag = 19 dE(Ry) = 0.000088360394606 residual = 0.011388259470553
328 … ik = 10 is = 1 idiag = 20 dE(Ry) = 0.000001739088149 residual = 0.001345593587667
329 … ik = 10 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.001345592463840
330 … ik = 10 is = 1 idiag = 22 dE(Ry) = 0.000000022185058 residual = 0.000213104556575
331 … ik = 10 is = 1 idiag = 23 dE(Ry) = 0.000000000727037 residual = 0.000035115638541
332 … ik = 10 is = 1 idiag = 24 dE(Ry) = 0.000000000022717 residual = 0.000008608631266
333 … ik = 10 is = 1 idiag = 25 dE(Ry) = 0.000000000001364 residual = 0.000002280115572
334 … ik = 10 is = 1 idiag = 26 dE(Ry) = 0.000000000000108 residual = 0.000000642375794
335 … ik = 10 is = 1 idiag = 27 dE(Ry) = 0.000000000000014 residual = 0.000000292758541
336 … ik = 10 is = 1 idiag = 28 dE(Ry) = 0.000000000000018 residual = 0.000000173014650
337 … ik = 10 is = 1 idiag = 29 dE(Ry) = 0.000000000000020 residual = 0.000000065075969
338 … ik = 11 is = 1 idiag = 1 dE(Ry) = 241.678161685210739 residual = 263.002859991988089
339 … ik = 11 is = 1 idiag = 2 dE(Ry) = 53.642426430969778 residual = 70.708745932184698
340 … ik = 11 is = 1 idiag = 3 dE(Ry) = 71.784576932147246 residual = 83.751964872082340
341 … ik = 11 is = 1 idiag = 4 dE(Ry) = 48.292338026392386 residual = 55.992391636188515
342 … ik = 11 is = 1 idiag = 5 dE(Ry) = 30.572596089589481 residual = 35.192691535804443
343 … ik = 11 is = 1 idiag = 6 dE(Ry) = 18.312761653093233 residual = 21.104233744257581
344 … ik = 11 is = 1 idiag = 7 dE(Ry) = 10.609307377953181 residual = 12.303198760141770
345 … ik = 11 is = 1 idiag = 8 dE(Ry) = 6.395143176035321 residual = 8.923151992313837
346 … ik = 11 is = 1 idiag = 9 dE(Ry) = 6.415009856182081 residual = 9.137037927965903
347 … ik = 11 is = 1 idiag = 10 dE(Ry) = 3.223195061570049 residual = 4.882330343630980
348 … ik = 11 is = 1 idiag = 11 dE(Ry) = 3.294013567009601 residual = 4.968435287508986
349 … ik = 11 is = 1 idiag = 12 dE(Ry) = 0.994744635092188 residual = 1.547979084234151
350 … ik = 11 is = 1 idiag = 13 dE(Ry) = 0.240330119280987 residual = 2.809784224701089
351 … ik = 11 is = 1 idiag = 14 dE(Ry) = 0.567043205685686 residual = 3.526670036117923
352 … ik = 11 is = 1 idiag = 15 dE(Ry) = 0.456970145145035 residual = 2.309634302447672
353 … ik = 11 is = 1 idiag = 16 dE(Ry) = 0.440283452698366 residual = 0.793557412674480
354 … ik = 11 is = 1 idiag = 17 dE(Ry) = 0.010929187690190 residual = 0.179926558054295
355 … ik = 11 is = 1 idiag = 18 dE(Ry) = 0.000560376435273 residual = 0.027736561886209
356 … ik = 11 is = 1 idiag = 19 dE(Ry) = 0.000011058315041 residual = 0.004185467340420
357 … ik = 11 is = 1 idiag = 20 dE(Ry) = 0.000000248872325 residual = 0.000554621909317
358 … ik = 11 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.000554621855230
359 … ik = 11 is = 1 idiag = 22 dE(Ry) = 0.000000003799464 residual = 0.000085102857125
360 … ik = 11 is = 1 idiag = 23 dE(Ry) = 0.000000000124230 residual = 0.000016282964685
361 … ik = 11 is = 1 idiag = 24 dE(Ry) = 0.000000000004929 residual = 0.000004275184920
362 … ik = 11 is = 1 idiag = 25 dE(Ry) = 0.000000000000360 residual = 0.000001089768232
363 … ik = 11 is = 1 idiag = 26 dE(Ry) = 0.000000000000024 residual = 0.000000261633652
364 … ik = 11 is = 1 idiag = 27 dE(Ry) = 0.000000000000017 residual = 0.000000122180655
365 … ik = 11 is = 1 idiag = 28 dE(Ry) = 0.000000000000016 residual = 0.000000058624494
366 … ik = 12 is = 1 idiag = 1 dE(Ry) = 241.609819099823824 residual = 263.075235500554811
367 … ik = 12 is = 1 idiag = 2 dE(Ry) = 53.692780253429703 residual = 70.868605999909050
368 … ik = 12 is = 1 idiag = 3 dE(Ry) = 71.973522142373270 residual = 83.725007693417140
369 … ik = 12 is = 1 idiag = 4 dE(Ry) = 47.958028758438331 residual = 55.516368180178432
370 … ik = 12 is = 1 idiag = 5 dE(Ry) = 30.595271262676945 residual = 35.280135064140602
371 … ik = 12 is = 1 idiag = 6 dE(Ry) = 18.149773313215945 residual = 21.049389272007897
372 … ik = 12 is = 1 idiag = 7 dE(Ry) = 10.662647358250894 residual = 12.411116313987874
373 … ik = 12 is = 1 idiag = 8 dE(Ry) = 5.716420741190834 residual = 7.801284192080813
374 … ik = 12 is = 1 idiag = 9 dE(Ry) = 6.207842658731716 residual = 9.052520783006051
375 … ik = 12 is = 1 idiag = 10 dE(Ry) = 3.266875802588492 residual = 5.053573586275195
376 … ik = 12 is = 1 idiag = 11 dE(Ry) = 3.279052347887614 residual = 5.068911521311023
377 … ik = 12 is = 1 idiag = 12 dE(Ry) = 1.118145456892165 residual = 1.689165896909157
378 … ik = 12 is = 1 idiag = 13 dE(Ry) = 0.294840443017629 residual = 2.849534944058609
379 … ik = 12 is = 1 idiag = 14 dE(Ry) = 0.490093200667578 residual = 3.337606911318997
380 … ik = 12 is = 1 idiag = 15 dE(Ry) = 0.404158517100800 residual = 1.936351630826465
381 … ik = 12 is = 1 idiag = 16 dE(Ry) = 0.322801610570649 residual = 1.875475566373038
382 … ik = 12 is = 1 idiag = 17 dE(Ry) = 0.056792434979322 residual = 0.510966700998822
383 … ik = 12 is = 1 idiag = 18 dE(Ry) = 0.004589746137857 residual = 0.096483286970982
384 … ik = 12 is = 1 idiag = 19 dE(Ry) = 0.000146460874272 residual = 0.015727325672072
385 … ik = 12 is = 1 idiag = 20 dE(Ry) = 0.000003493473350 residual = 0.001936024903966
386 … ik = 12 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.001936021752050
387 … ik = 12 is = 1 idiag = 22 dE(Ry) = 0.000000047042334 residual = 0.000283808788526
388 … ik = 12 is = 1 idiag = 23 dE(Ry) = 0.000000001495156 residual = 0.000055771840946
389 … ik = 12 is = 1 idiag = 24 dE(Ry) = 0.000000000054749 residual = 0.000016099856853
390 … ik = 12 is = 1 idiag = 25 dE(Ry) = 0.000000000004707 residual = 0.000004435639770
391 … ik = 12 is = 1 idiag = 26 dE(Ry) = 0.000000000000379 residual = 0.000001155271903
392 … ik = 12 is = 1 idiag = 27 dE(Ry) = 0.000000000000045 residual = 0.000000597894016
393 … ik = 12 is = 1 idiag = 28 dE(Ry) = 0.000000000000018 residual = 0.000000218148918
394 … ik = 12 is = 1 idiag = 29 dE(Ry) = 0.000000000000016 residual = 0.000000050546755
395 … ik = 13 is = 1 idiag = 1 dE(Ry) = 241.041708399125667 residual = 262.704913800511918
396 … ik = 13 is = 1 idiag = 2 dE(Ry) = 53.955506244700445 residual = 70.847532333863995
397 … ik = 13 is = 1 idiag = 3 dE(Ry) = 71.896583679751387 residual = 83.871421692566329
398 … ik = 13 is = 1 idiag = 4 dE(Ry) = 48.163252638152301 residual = 55.530211078180699
399 … ik = 13 is = 1 idiag = 5 dE(Ry) = 30.342573081196733 residual = 35.011911950397618
400 … ik = 13 is = 1 idiag = 6 dE(Ry) = 18.475489843961682 residual = 21.290239641647645
401 … ik = 13 is = 1 idiag = 7 dE(Ry) = 10.558238808789941 residual = 12.330378445936818
402 … ik = 13 is = 1 idiag = 8 dE(Ry) = 5.968181993278244 residual = 8.045011242858958
403 … ik = 13 is = 1 idiag = 9 dE(Ry) = 6.158994836174534 residual = 8.820216284277354
404 … ik = 13 is = 1 idiag = 10 dE(Ry) = 3.997636510650370 residual = 5.685725689812672
405 … ik = 13 is = 1 idiag = 11 dE(Ry) = 3.263681333343120 residual = 5.234727505899031
406 … ik = 13 is = 1 idiag = 12 dE(Ry) = 1.594766059056060 residual = 2.253664258371878
407 … ik = 13 is = 1 idiag = 13 dE(Ry) = 0.367463000414348 residual = 2.793503125123410
408 … ik = 13 is = 1 idiag = 14 dE(Ry) = 0.691482987181295 residual = 3.900776689110548
409 … ik = 13 is = 1 idiag = 15 dE(Ry) = 0.331715815255324 residual = 2.422008108055256
410 … ik = 13 is = 1 idiag = 16 dE(Ry) = 0.178083161550850 residual = 1.287171519587513
411 … ik = 13 is = 1 idiag = 17 dE(Ry) = 0.045376149815740 residual = 0.239839020023184
412 … ik = 13 is = 1 idiag = 18 dE(Ry) = 0.001140683198745 residual = 0.048969143055735
413 … ik = 13 is = 1 idiag = 19 dE(Ry) = 0.000038873390538 residual = 0.008977421931633
414 … ik = 13 is = 1 idiag = 20 dE(Ry) = 0.000001150276425 residual = 0.001248149793794
415 … ik = 13 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.001248149263755
416 … ik = 13 is = 1 idiag = 22 dE(Ry) = 0.000000018762882 residual = 0.000188212494991
417 … ik = 13 is = 1 idiag = 23 dE(Ry) = 0.000000000648700 residual = 0.000038840200736
418 … ik = 13 is = 1 idiag = 24 dE(Ry) = 0.000000000028006 residual = 0.000011685854231
419 … ik = 13 is = 1 idiag = 25 dE(Ry) = 0.000000000002414 residual = 0.000002544578880
420 … ik = 13 is = 1 idiag = 26 dE(Ry) = 0.000000000000131 residual = 0.000000508058383
421 … ik = 13 is = 1 idiag = 27 dE(Ry) = 0.000000000000012 residual = 0.000000154350872
422 … ik = 13 is = 1 idiag = 28 dE(Ry) = 0.000000000000016 residual = 0.000000055440945
423 … ik = 14 is = 1 idiag = 1 dE(Ry) = 240.942168555658640 residual = 262.506889854198107
424 … ik = 14 is = 1 idiag = 2 dE(Ry) = 53.983239559386561 residual = 70.884935568270123
425 … ik = 14 is = 1 idiag = 3 dE(Ry) = 71.911801897495451 residual = 83.712058235371359
426 … ik = 14 is = 1 idiag = 4 dE(Ry) = 48.091274922034586 residual = 55.723773608386026
427 … ik = 14 is = 1 idiag = 5 dE(Ry) = 30.769800903706425 residual = 35.504206781496549
428 … ik = 14 is = 1 idiag = 6 dE(Ry) = 18.300906427173008 residual = 21.182271063646684
429 … ik = 14 is = 1 idiag = 7 dE(Ry) = 10.641633921316384 residual = 12.200779023106630
430 … ik = 14 is = 1 idiag = 8 dE(Ry) = 6.325357072678974 residual = 7.971671196066235
431 … ik = 14 is = 1 idiag = 9 dE(Ry) = 6.044723995798972 residual = 8.704914911536509
432 … ik = 14 is = 1 idiag = 10 dE(Ry) = 3.505601723742608 residual = 5.043677114283955
433 … ik = 14 is = 1 idiag = 11 dE(Ry) = 3.186444776609803 residual = 5.192363357348921
434 … ik = 14 is = 1 idiag = 12 dE(Ry) = 1.481949345927480 residual = 2.139437573276589
435 … ik = 14 is = 1 idiag = 13 dE(Ry) = 0.418933589963775 residual = 3.192745556198866
436 … ik = 14 is = 1 idiag = 14 dE(Ry) = 0.560408503687118 residual = 3.059528857509058
437 … ik = 14 is = 1 idiag = 15 dE(Ry) = 0.303780369650902 residual = 3.258708352675061
438 … ik = 14 is = 1 idiag = 16 dE(Ry) = 0.213279230463696 residual = 0.634037036910348
439 … ik = 14 is = 1 idiag = 17 dE(Ry) = 0.007992745290914 residual = 0.131433431546793
440 … ik = 14 is = 1 idiag = 18 dE(Ry) = 0.000256267317910 residual = 0.019742776170049
441 … ik = 14 is = 1 idiag = 19 dE(Ry) = 0.000005581558954 residual = 0.002560314838624
442 … ik = 14 is = 1 idiag = 20 dE(Ry) = 0.000000093491204 residual = 0.000354868907495
443 … ik = 14 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.000354868895179
444 … ik = 14 is = 1 idiag = 22 dE(Ry) = 0.000000001528686 residual = 0.000056342365240
445 … ik = 14 is = 1 idiag = 23 dE(Ry) = 0.000000000055831 residual = 0.000011344426879
446 … ik = 14 is = 1 idiag = 24 dE(Ry) = 0.000000000002330 residual = 0.000003083046771
447 … ik = 14 is = 1 idiag = 25 dE(Ry) = 0.000000000000174 residual = 0.000000751596005
448 … ik = 14 is = 1 idiag = 26 dE(Ry) = 0.000000000000020 residual = 0.000000165582180
449 … ik = 14 is = 1 idiag = 27 dE(Ry) = 0.000000000000015 residual = 0.000000085541153
450 … ik = 15 is = 1 idiag = 1 dE(Ry) = 241.178505678377434 residual = 262.687297565839117
451 … ik = 15 is = 1 idiag = 2 dE(Ry) = 53.747852313620257 residual = 70.759974221147672
452 … ik = 15 is = 1 idiag = 3 dE(Ry) = 71.786415455684590 residual = 83.827152895385709
453 … ik = 15 is = 1 idiag = 4 dE(Ry) = 48.109034233219518 residual = 55.678904571762573
454 … ik = 15 is = 1 idiag = 5 dE(Ry) = 30.494646704679042 residual = 35.255522551455222
455 … ik = 15 is = 1 idiag = 6 dE(Ry) = 18.448491193043658 residual = 21.269638245003417
456 … ik = 15 is = 1 idiag = 7 dE(Ry) = 10.522204877379760 residual = 12.193116426961891
457 … ik = 15 is = 1 idiag = 8 dE(Ry) = 6.179646997150625 residual = 9.096222804736010
458 … ik = 15 is = 1 idiag = 9 dE(Ry) = 6.115838086937970 residual = 8.708743054118504
459 … ik = 15 is = 1 idiag = 10 dE(Ry) = 3.787308822294029 residual = 5.750341417629006
460 … ik = 15 is = 1 idiag = 11 dE(Ry) = 3.270318171552381 residual = 5.066345510584255
461 … ik = 15 is = 1 idiag = 12 dE(Ry) = 1.151468866473527 residual = 1.752160644380901
462 … ik = 15 is = 1 idiag = 13 dE(Ry) = 0.362292906053725 residual = 3.047219390810775
463 … ik = 15 is = 1 idiag = 14 dE(Ry) = 0.719860403758670 residual = 2.506232960187311
464 … ik = 15 is = 1 idiag = 15 dE(Ry) = 0.469114912592148 residual = 2.657315035498587
465 … ik = 15 is = 1 idiag = 16 dE(Ry) = 0.147729471054330 residual = 2.205742088863947
466 … ik = 15 is = 1 idiag = 17 dE(Ry) = 0.063995756630195 residual = 0.478009754690441
467 … ik = 15 is = 1 idiag = 18 dE(Ry) = 0.002838009883401 residual = 0.086743756266470
468 … ik = 15 is = 1 idiag = 19 dE(Ry) = 0.000122975818443 residual = 0.012783371251385
469 … ik = 15 is = 1 idiag = 20 dE(Ry) = 0.000002166925531 residual = 0.001362962688898
470 … ik = 15 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.001362960966336
471 … ik = 15 is = 1 idiag = 22 dE(Ry) = 0.000000021798811 residual = 0.000206257200006
472 … ik = 15 is = 1 idiag = 23 dE(Ry) = 0.000000000629374 residual = 0.000036524528497
473 … ik = 15 is = 1 idiag = 24 dE(Ry) = 0.000000000022414 residual = 0.000008569751413
474 … ik = 15 is = 1 idiag = 25 dE(Ry) = 0.000000000001457 residual = 0.000002351249916
475 … ik = 15 is = 1 idiag = 26 dE(Ry) = 0.000000000000109 residual = 0.000000590620954
476 … ik = 15 is = 1 idiag = 27 dE(Ry) = 0.000000000000018 residual = 0.000000247764476
477 … ik = 15 is = 1 idiag = 28 dE(Ry) = 0.000000000000016 residual = 0.000000142737194
478 … ik = 15 is = 1 idiag = 29 dE(Ry) = 0.000000000000013 residual = 0.000000055790665
479 … ik = 16 is = 1 idiag = 1 dE(Ry) = 240.588071295155544 residual = 262.079830983728812
480 … ik = 16 is = 1 idiag = 2 dE(Ry) = 54.207916725544919 residual = 71.045592919441987
481 … ik = 16 is = 1 idiag = 3 dE(Ry) = 71.582520295660714 residual = 83.277148328902754
482 … ik = 16 is = 1 idiag = 4 dE(Ry) = 48.209103098742972 residual = 55.776255358667790
483 … ik = 16 is = 1 idiag = 5 dE(Ry) = 31.027955133623891 residual = 35.710202968719891
484 … ik = 16 is = 1 idiag = 6 dE(Ry) = 18.223699234479636 residual = 21.054358370874453
485 … ik = 16 is = 1 idiag = 7 dE(Ry) = 10.484749768918538 residual = 12.201336539764904
486 … ik = 16 is = 1 idiag = 8 dE(Ry) = 6.288776406978069 residual = 8.854526904629358
487 … ik = 16 is = 1 idiag = 9 dE(Ry) = 6.228708608275075 residual = 8.844014155272051
488 … ik = 16 is = 1 idiag = 10 dE(Ry) = 3.389480916108750 residual = 5.022930645876789
489 … ik = 16 is = 1 idiag = 11 dE(Ry) = 3.231957058635791 residual = 5.133531545281015
490 … ik = 16 is = 1 idiag = 12 dE(Ry) = 1.213669949537503 residual = 1.801151315268392
491 … ik = 16 is = 1 idiag = 13 dE(Ry) = 0.325217147978248 residual = 2.984854295152493
492 … ik = 16 is = 1 idiag = 14 dE(Ry) = 0.655585063896710 residual = 2.838817036127890
493 … ik = 16 is = 1 idiag = 15 dE(Ry) = 0.427900453533769 residual = 1.222162889161868
494 … ik = 16 is = 1 idiag = 16 dE(Ry) = 0.206129303638684 residual = 0.866895271293340
495 … ik = 16 is = 1 idiag = 17 dE(Ry) = 0.011650650057126 residual = 0.171187253873766
496 … ik = 16 is = 1 idiag = 18 dE(Ry) = 0.000549448193720 residual = 0.034051813676048
497 … ik = 16 is = 1 idiag = 19 dE(Ry) = 0.000016736457172 residual = 0.004562228862711
498 … ik = 16 is = 1 idiag = 20 dE(Ry) = 0.000000288288267 residual = 0.000583636572303
499 … ik = 16 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.000583636501103
500 … ik = 16 is = 1 idiag = 22 dE(Ry) = 0.000000004209540 residual = 0.000086648724574
501 … ik = 16 is = 1 idiag = 23 dE(Ry) = 0.000000000131344 residual = 0.000014894143453
502 … ik = 16 is = 1 idiag = 24 dE(Ry) = 0.000000000004192 residual = 0.000003946583929
503 … ik = 16 is = 1 idiag = 25 dE(Ry) = 0.000000000000298 residual = 0.000001103956785
504 … ik = 16 is = 1 idiag = 26 dE(Ry) = 0.000000000000019 residual = 0.000000279699182
505 … ik = 16 is = 1 idiag = 27 dE(Ry) = 0.000000000000014 residual = 0.000000124190829
506 … ik = 16 is = 1 idiag = 28 dE(Ry) = 0.000000000000014 residual = 0.000000063620604
507 … ik = 17 is = 1 idiag = 1 dE(Ry) = 241.426260079882439 residual = 262.799462336163003
508 … ik = 17 is = 1 idiag = 2 dE(Ry) = 54.025053673404244 residual = 71.001948275002846
509 … ik = 17 is = 1 idiag = 3 dE(Ry) = 71.841083933259597 residual = 83.764509299221686
510 … ik = 17 is = 1 idiag = 4 dE(Ry) = 48.121570960763123 residual = 55.680376067971068
511 … ik = 17 is = 1 idiag = 5 dE(Ry) = 30.720746025568474 residual = 35.276087437847288
512 … ik = 17 is = 1 idiag = 6 dE(Ry) = 18.505558235270513 residual = 21.313298358358661
513 … ik = 17 is = 1 idiag = 7 dE(Ry) = 10.557388166613649 residual = 12.164673774726053
514 … ik = 17 is = 1 idiag = 8 dE(Ry) = 6.201193036834640 residual = 8.595987128154389
515 … ik = 17 is = 1 idiag = 9 dE(Ry) = 5.847721648641594 residual = 8.582158374292785
516 … ik = 17 is = 1 idiag = 10 dE(Ry) = 3.687061853119326 residual = 5.318076424290037
517 … ik = 17 is = 1 idiag = 11 dE(Ry) = 3.330985211895420 residual = 5.087866128756449
518 … ik = 17 is = 1 idiag = 12 dE(Ry) = 1.447826045548664 residual = 2.016867920421735
519 … ik = 17 is = 1 idiag = 13 dE(Ry) = 0.357600023224728 residual = 3.006162892501994
520 … ik = 17 is = 1 idiag = 14 dE(Ry) = 0.547791969909229 residual = 3.026671721121077
521 … ik = 17 is = 1 idiag = 15 dE(Ry) = 0.345842346083066 residual = 3.275842751840083
522 … ik = 17 is = 1 idiag = 16 dE(Ry) = 0.179185119554440 residual = 0.626897814170136
523 … ik = 17 is = 1 idiag = 17 dE(Ry) = 0.007766432357195 residual = 0.112870492229570
524 … ik = 17 is = 1 idiag = 18 dE(Ry) = 0.000223211185845 residual = 0.019281792931247
525 … ik = 17 is = 1 idiag = 19 dE(Ry) = 0.000005567156433 residual = 0.002710625400203
526 … ik = 17 is = 1 idiag = 20 dE(Ry) = 0.000000097794674 residual = 0.000338180570497
527 … ik = 17 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.000338180556357
528 … ik = 17 is = 1 idiag = 22 dE(Ry) = 0.000000001332476 residual = 0.000050108494483
529 … ik = 17 is = 1 idiag = 23 dE(Ry) = 0.000000000039950 residual = 0.000008927360317
530 … ik = 17 is = 1 idiag = 24 dE(Ry) = 0.000000000001398 residual = 0.000002291607167
531 … ik = 17 is = 1 idiag = 25 dE(Ry) = 0.000000000000098 residual = 0.000000676091309
532 … ik = 17 is = 1 idiag = 26 dE(Ry) = 0.000000000000016 residual = 0.000000187350622
533 … ik = 17 is = 1 idiag = 27 dE(Ry) = 0.000000000000015 residual = 0.000000094194547
534 … ik = 18 is = 1 idiag = 1 dE(Ry) = 241.006373019710253 residual = 262.442109921892268
535 … ik = 18 is = 1 idiag = 2 dE(Ry) = 53.611082590064910 residual = 70.884361385280556
536 … ik = 18 is = 1 idiag = 3 dE(Ry) = 71.400702251742331 residual = 83.412705351423469
537 … ik = 18 is = 1 idiag = 4 dE(Ry) = 48.185617982030848 residual = 55.832046072507524
538 … ik = 18 is = 1 idiag = 5 dE(Ry) = 31.024223902112638 residual = 35.728085476191183
539 … ik = 18 is = 1 idiag = 6 dE(Ry) = 18.335557733678591 residual = 21.233035712858719
540 … ik = 18 is = 1 idiag = 7 dE(Ry) = 10.363072929148922 residual = 12.045561041212942
541 … ik = 18 is = 1 idiag = 8 dE(Ry) = 5.634640109819775 residual = 7.716410156144261
542 … ik = 18 is = 1 idiag = 9 dE(Ry) = 5.960975138379188 residual = 8.772065340836178
543 … ik = 18 is = 1 idiag = 10 dE(Ry) = 3.761652004186908 residual = 5.461775915798723
544 … ik = 18 is = 1 idiag = 11 dE(Ry) = 3.260055477389696 residual = 5.150218062248618
545 … ik = 18 is = 1 idiag = 12 dE(Ry) = 1.173584707280892 residual = 1.729864302110849
546 … ik = 18 is = 1 idiag = 13 dE(Ry) = 0.384709522634691 residual = 3.002094962132122
547 … ik = 18 is = 1 idiag = 14 dE(Ry) = 0.533369832432283 residual = 2.700724758479069
548 … ik = 18 is = 1 idiag = 15 dE(Ry) = 0.428726088527225 residual = 1.782559462116261
549 … ik = 18 is = 1 idiag = 16 dE(Ry) = 0.209929659523832 residual = 1.598470427476745
550 … ik = 18 is = 1 idiag = 17 dE(Ry) = 0.045288663157733 residual = 0.357893331933699
551 … ik = 18 is = 1 idiag = 18 dE(Ry) = 0.002396936844198 residual = 0.071373878884117
552 … ik = 18 is = 1 idiag = 19 dE(Ry) = 0.000081019439687 residual = 0.011849020860674
553 … ik = 18 is = 1 idiag = 20 dE(Ry) = 0.000001914364082 residual = 0.001468275144177
554 … ik = 18 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.001468273896184
555 … ik = 18 is = 1 idiag = 22 dE(Ry) = 0.000000026705817 residual = 0.000219637890375
556 … ik = 18 is = 1 idiag = 23 dE(Ry) = 0.000000000820791 residual = 0.000041724690979
557 … ik = 18 is = 1 idiag = 24 dE(Ry) = 0.000000000031127 residual = 0.000010256843341
558 … ik = 18 is = 1 idiag = 25 dE(Ry) = 0.000000000002052 residual = 0.000002634978410
559 … ik = 18 is = 1 idiag = 26 dE(Ry) = 0.000000000000149 residual = 0.000000592961556
560 … ik = 18 is = 1 idiag = 27 dE(Ry) = 0.000000000000023 residual = 0.000000243561214
561 … ik = 18 is = 1 idiag = 28 dE(Ry) = 0.000000000000019 residual = 0.000000096353146
562 … ik = 19 is = 1 idiag = 1 dE(Ry) = 240.960901319952285 residual = 262.485041213077182
563 … ik = 19 is = 1 idiag = 2 dE(Ry) = 53.879795249425115 residual = 70.798268665341908
564 … ik = 19 is = 1 idiag = 3 dE(Ry) = 71.376034848975053 residual = 83.192215618083637
565 … ik = 19 is = 1 idiag = 4 dE(Ry) = 48.124217708414889 residual = 55.684019654580425
566 … ik = 19 is = 1 idiag = 5 dE(Ry) = 30.832255462229497 residual = 35.426140823479159
567 … ik = 19 is = 1 idiag = 6 dE(Ry) = 18.182371168857454 residual = 20.986602019521634
568 … ik = 19 is = 1 idiag = 7 dE(Ry) = 10.677543728372321 residual = 12.459187982732976
569 … ik = 19 is = 1 idiag = 8 dE(Ry) = 5.998822288345298 residual = 8.548542096602723
570 … ik = 19 is = 1 idiag = 9 dE(Ry) = 6.207195962550280 residual = 8.782484033349686
571 … ik = 19 is = 1 idiag = 10 dE(Ry) = 3.536502217062337 residual = 5.201375327088594
572 … ik = 19 is = 1 idiag = 11 dE(Ry) = 3.232649280168169 residual = 5.161092754324947
573 … ik = 19 is = 1 idiag = 12 dE(Ry) = 1.220460035190566 residual = 1.858320884462917
574 … ik = 19 is = 1 idiag = 13 dE(Ry) = 0.248204639315047 residual = 2.897563495017363
575 … ik = 19 is = 1 idiag = 14 dE(Ry) = 0.541202433154317 residual = 3.316185434974998
576 … ik = 19 is = 1 idiag = 15 dE(Ry) = 0.511976751621723 residual = 1.422456784901548
577 … ik = 19 is = 1 idiag = 16 dE(Ry) = 0.299419429885552 residual = 1.023262272367061
578 … ik = 19 is = 1 idiag = 17 dE(Ry) = 0.017233859788843 residual = 0.245863251991163
579 … ik = 19 is = 1 idiag = 18 dE(Ry) = 0.001104277507709 residual = 0.045652979676713
580 … ik = 19 is = 1 idiag = 19 dE(Ry) = 0.000034103241969 residual = 0.006953072780650
581 … ik = 19 is = 1 idiag = 20 dE(Ry) = 0.000000662188507 residual = 0.000846904808792
582 … ik = 19 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.000846904549911
583 … ik = 19 is = 1 idiag = 22 dE(Ry) = 0.000000008699922 residual = 0.000125044556667
584 … ik = 19 is = 1 idiag = 23 dE(Ry) = 0.000000000274628 residual = 0.000021508753783
585 … ik = 19 is = 1 idiag = 24 dE(Ry) = 0.000000000008938 residual = 0.000005567266114
586 … ik = 19 is = 1 idiag = 25 dE(Ry) = 0.000000000000596 residual = 0.000001531691160
587 … ik = 19 is = 1 idiag = 26 dE(Ry) = 0.000000000000052 residual = 0.000000382902724
588 … ik = 19 is = 1 idiag = 27 dE(Ry) = 0.000000000000014 residual = 0.000000128800276
589 … ik = 19 is = 1 idiag = 28 dE(Ry) = 0.000000000000015 residual = 0.000000064558867
590 … ik = 20 is = 1 idiag = 1 dE(Ry) = 240.837831291653231 residual = 262.259165358329142
591 … ik = 20 is = 1 idiag = 2 dE(Ry) = 53.788460788859794 residual = 70.737347581014063
592 … ik = 20 is = 1 idiag = 3 dE(Ry) = 71.762106314536425 residual = 83.552950162033724
593 … ik = 20 is = 1 idiag = 4 dE(Ry) = 47.906819235050278 residual = 55.378076562638533
594 … ik = 20 is = 1 idiag = 5 dE(Ry) = 30.611030403335576 residual = 35.213658018639727
595 … ik = 20 is = 1 idiag = 6 dE(Ry) = 18.600107299302884 residual = 21.570476142891668
596 … ik = 20 is = 1 idiag = 7 dE(Ry) = 10.614278552235419 residual = 12.299060397136619
597 … ik = 20 is = 1 idiag = 8 dE(Ry) = 5.759484388333433 residual = 7.416657961253940
598 … ik = 20 is = 1 idiag = 9 dE(Ry) = 6.180929104749522 residual = 8.898105997871024
599 … ik = 20 is = 1 idiag = 10 dE(Ry) = 3.613043323505692 residual = 5.352682605145246
600 … ik = 20 is = 1 idiag = 11 dE(Ry) = 3.357356249013602 residual = 5.000684614158245
601 … ik = 20 is = 1 idiag = 12 dE(Ry) = 1.205157776586526 residual = 1.773884937970560
602 … ik = 20 is = 1 idiag = 13 dE(Ry) = 0.294345950588904 residual = 2.939131867882490
603 … ik = 20 is = 1 idiag = 14 dE(Ry) = 0.565127534983712 residual = 3.185807720824030
604 … ik = 20 is = 1 idiag = 15 dE(Ry) = 0.564596431204890 residual = 3.439194923922651
605 … ik = 20 is = 1 idiag = 16 dE(Ry) = 0.197062385128178 residual = 0.562960072337084
606 … ik = 20 is = 1 idiag = 17 dE(Ry) = 0.005189440143884 residual = 0.094337779091606
607 … ik = 20 is = 1 idiag = 18 dE(Ry) = 0.000143184713999 residual = 0.015674567774614
608 … ik = 20 is = 1 idiag = 19 dE(Ry) = 0.000003678217432 residual = 0.002603430808002
609 … ik = 20 is = 1 idiag = 20 dE(Ry) = 0.000000090884654 residual = 0.000329948104581
610 … ik = 20 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.000329948092063
611 … ik = 20 is = 1 idiag = 22 dE(Ry) = 0.000000001287367 residual = 0.000047925247639
612 … ik = 20 is = 1 idiag = 23 dE(Ry) = 0.000000000039893 residual = 0.000010318406436
613 … ik = 20 is = 1 idiag = 24 dE(Ry) = 0.000000000001904 residual = 0.000003016567029
614 … ik = 20 is = 1 idiag = 25 dE(Ry) = 0.000000000000170 residual = 0.000000723688296
615 … ik = 20 is = 1 idiag = 26 dE(Ry) = 0.000000000000020 residual = 0.000000181294854
616 … ik = 20 is = 1 idiag = 27 dE(Ry) = 0.000000000000015 residual = 0.000000102008190
617 … ik = 20 is = 1 idiag = 28 dE(Ry) = 0.000000000000017 residual = 0.000000079965345
618 … ik = 21 is = 1 idiag = 1 dE(Ry) = 241.475403155336977 residual = 262.958123792955632
619 … ik = 21 is = 1 idiag = 2 dE(Ry) = 53.888182011561412 residual = 70.754401927061565
620 … ik = 21 is = 1 idiag = 3 dE(Ry) = 71.643245361343929 residual = 83.498028930964281
621 … ik = 21 is = 1 idiag = 4 dE(Ry) = 48.016286310412596 residual = 55.431735532613395
622 … ik = 21 is = 1 idiag = 5 dE(Ry) = 30.825059220244029 residual = 35.406458681667281
623 … ik = 21 is = 1 idiag = 6 dE(Ry) = 18.311930832954069 residual = 21.179826132224036
624 … ik = 21 is = 1 idiag = 7 dE(Ry) = 10.466039327671940 residual = 12.221693766821049
625 … ik = 21 is = 1 idiag = 8 dE(Ry) = 6.354571668446440 residual = 8.704185324614638
626 … ik = 21 is = 1 idiag = 9 dE(Ry) = 5.794220446213926 residual = 8.634024072230780
627 … ik = 21 is = 1 idiag = 10 dE(Ry) = 3.677553448255360 residual = 5.413820308892499
628 … ik = 21 is = 1 idiag = 11 dE(Ry) = 3.269199929201414 residual = 5.160954648361898
629 … ik = 21 is = 1 idiag = 12 dE(Ry) = 1.300769296527335 residual = 1.863063101877206
630 … ik = 21 is = 1 idiag = 13 dE(Ry) = 0.252123182899613 residual = 2.703976160932323
631 … ik = 21 is = 1 idiag = 14 dE(Ry) = 0.563041502924368 residual = 3.667506221852450
632 … ik = 21 is = 1 idiag = 15 dE(Ry) = 0.423598088397481 residual = 1.477918752906183
633 … ik = 21 is = 1 idiag = 16 dE(Ry) = 0.303403596008233 residual = 1.267459969503067
634 … ik = 21 is = 1 idiag = 17 dE(Ry) = 0.024780726017555 residual = 0.259470977341940
635 … ik = 21 is = 1 idiag = 18 dE(Ry) = 0.001119142926455 residual = 0.048624420031192
636 … ik = 21 is = 1 idiag = 19 dE(Ry) = 0.000039090478906 residual = 0.008847631777723
637 … ik = 21 is = 1 idiag = 20 dE(Ry) = 0.000001098532644 residual = 0.001206408036685
638 … ik = 21 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.001206407536533
639 … ik = 21 is = 1 idiag = 22 dE(Ry) = 0.000000016623798 residual = 0.000183212350000
640 … ik = 21 is = 1 idiag = 23 dE(Ry) = 0.000000000506046 residual = 0.000032949428485
641 … ik = 21 is = 1 idiag = 24 dE(Ry) = 0.000000000020817 residual = 0.000009173605746
642 … ik = 21 is = 1 idiag = 25 dE(Ry) = 0.000000000001657 residual = 0.000002461605574
643 … ik = 21 is = 1 idiag = 26 dE(Ry) = 0.000000000000111 residual = 0.000000596936086
644 … ik = 21 is = 1 idiag = 27 dE(Ry) = 0.000000000000015 residual = 0.000000284090520
645 … ik = 21 is = 1 idiag = 28 dE(Ry) = 0.000000000000018 residual = 0.000000117775068
646 … ik = 21 is = 1 idiag = 29 dE(Ry) = 0.000000000000017 residual = 0.000000046121042
647 … ik = 22 is = 1 idiag = 1 dE(Ry) = 240.544175340999260 residual = 262.058388158242053
648 … ik = 22 is = 1 idiag = 2 dE(Ry) = 53.908248337933429 residual = 70.957302811559614
649 … ik = 22 is = 1 idiag = 3 dE(Ry) = 71.840596822327086 residual = 83.665209737035241
650 … ik = 22 is = 1 idiag = 4 dE(Ry) = 47.813827702844122 residual = 55.294153850570275
651 … ik = 22 is = 1 idiag = 5 dE(Ry) = 30.518228681280704 residual = 35.130679823216781
652 … ik = 22 is = 1 idiag = 6 dE(Ry) = 18.225914546853993 residual = 21.054478038592407
653 … ik = 22 is = 1 idiag = 7 dE(Ry) = 10.501600762617917 residual = 12.134573542814683
654 … ik = 22 is = 1 idiag = 8 dE(Ry) = 5.895752913914480 residual = 7.666593098703984
655 … ik = 22 is = 1 idiag = 9 dE(Ry) = 6.249169878346613 residual = 8.887936224988264
656 … ik = 22 is = 1 idiag = 10 dE(Ry) = 3.469769990689481 residual = 5.075181263417226
657 … ik = 22 is = 1 idiag = 11 dE(Ry) = 3.254898173226084 residual = 4.889175083566289
658 … ik = 22 is = 1 idiag = 12 dE(Ry) = 1.079568237337345 residual = 1.612349418851355
659 … ik = 22 is = 1 idiag = 13 dE(Ry) = 0.260917366790410 residual = 2.917353223447843
660 … ik = 22 is = 1 idiag = 14 dE(Ry) = 0.570141583346699 residual = 3.422982787986283
661 … ik = 22 is = 1 idiag = 15 dE(Ry) = 0.489587756213981 residual = 2.739658232191159
662 … ik = 22 is = 1 idiag = 16 dE(Ry) = 0.405523473435128 residual = 1.116617961806037
663 … ik = 22 is = 1 idiag = 17 dE(Ry) = 0.017217832689486 residual = 0.265389388964164
664 … ik = 22 is = 1 idiag = 18 dE(Ry) = 0.001188126832808 residual = 0.049602126445841
665 … ik = 22 is = 1 idiag = 19 dE(Ry) = 0.000035688819695 residual = 0.007236670741877
666 … ik = 22 is = 1 idiag = 20 dE(Ry) = 0.000000677766405 residual = 0.000834545605794
667 … ik = 22 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.000834545330574
668 … ik = 22 is = 1 idiag = 22 dE(Ry) = 0.000000008232151 residual = 0.000123919249189
669 … ik = 22 is = 1 idiag = 23 dE(Ry) = 0.000000000258022 residual = 0.000024295597084
670 … ik = 22 is = 1 idiag = 24 dE(Ry) = 0.000000000009428 residual = 0.000006091875452
671 … ik = 22 is = 1 idiag = 25 dE(Ry) = 0.000000000000692 residual = 0.000001603027497
672 … ik = 22 is = 1 idiag = 26 dE(Ry) = 0.000000000000057 residual = 0.000000375390616
673 … ik = 22 is = 1 idiag = 27 dE(Ry) = 0.000000000000015 residual = 0.000000138887412
674 … ik = 22 is = 1 idiag = 28 dE(Ry) = 0.000000000000016 residual = 0.000000071574765
675 … ik = 23 is = 1 idiag = 1 dE(Ry) = 240.828558089958449 residual = 262.356634373836584
676 … ik = 23 is = 1 idiag = 2 dE(Ry) = 53.892686490547732 residual = 70.995749075783905
677 … ik = 23 is = 1 idiag = 3 dE(Ry) = 71.500174911732785 residual = 83.365132170704925
678 … ik = 23 is = 1 idiag = 4 dE(Ry) = 48.047728670798833 residual = 55.695684889962237
679 … ik = 23 is = 1 idiag = 5 dE(Ry) = 30.498354530049568 residual = 34.950006560714577
680 … ik = 23 is = 1 idiag = 6 dE(Ry) = 18.215175389307525 residual = 21.003709228195930
681 … ik = 23 is = 1 idiag = 7 dE(Ry) = 10.649388005100791 residual = 12.384105558898533
682 … ik = 23 is = 1 idiag = 8 dE(Ry) = 5.675587534499087 residual = 8.139677554174323
683 … ik = 23 is = 1 idiag = 9 dE(Ry) = 6.038277923490283 residual = 8.779109719771407
684 … ik = 23 is = 1 idiag = 10 dE(Ry) = 3.767052494603539 residual = 5.237074790869760
685 … ik = 23 is = 1 idiag = 11 dE(Ry) = 3.235854770889747 residual = 5.047741386101340
686 … ik = 23 is = 1 idiag = 12 dE(Ry) = 1.304521214187145 residual = 1.965910675550863
687 … ik = 23 is = 1 idiag = 13 dE(Ry) = 0.324497077756430 residual = 2.837409443346191
688 … ik = 23 is = 1 idiag = 14 dE(Ry) = 0.551995441672158 residual = 3.341686284846238
689 … ik = 23 is = 1 idiag = 15 dE(Ry) = 0.494334507151298 residual = 3.462908290096480
690 … ik = 23 is = 1 idiag = 16 dE(Ry) = 0.181289279040180 residual = 0.647402258789385
691 … ik = 23 is = 1 idiag = 17 dE(Ry) = 0.006831150575811 residual = 0.117085910028988
692 … ik = 23 is = 1 idiag = 18 dE(Ry) = 0.000258755401393 residual = 0.022283453208826
693 … ik = 23 is = 1 idiag = 19 dE(Ry) = 0.000008203306178 residual = 0.004132864937559
694 … ik = 23 is = 1 idiag = 20 dE(Ry) = 0.000000229832662 residual = 0.000524225349126
695 … ik = 23 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.000524225298744
696 … ik = 23 is = 1 idiag = 22 dE(Ry) = 0.000000003137653 residual = 0.000080274819922
697 … ik = 23 is = 1 idiag = 23 dE(Ry) = 0.000000000097569 residual = 0.000012683500171
698 … ik = 23 is = 1 idiag = 24 dE(Ry) = 0.000000000003054 residual = 0.000003203510797
699 … ik = 23 is = 1 idiag = 25 dE(Ry) = 0.000000000000202 residual = 0.000000936356987
700 … ik = 23 is = 1 idiag = 26 dE(Ry) = 0.000000000000022 residual = 0.000000247141612
701 … ik = 23 is = 1 idiag = 27 dE(Ry) = 0.000000000000020 residual = 0.000000088230026
702 … ik = 24 is = 1 idiag = 1 dE(Ry) = 240.966760475049085 residual = 262.622145134911591
703 … ik = 24 is = 1 idiag = 2 dE(Ry) = 53.869375252530631 residual = 70.784192169649984
704 … ik = 24 is = 1 idiag = 3 dE(Ry) = 71.694797463581921 residual = 83.598747202152978
705 … ik = 24 is = 1 idiag = 4 dE(Ry) = 47.939921937096599 residual = 55.360695190596111
706 … ik = 24 is = 1 idiag = 5 dE(Ry) = 30.487885541488737 residual = 35.202761864626730
707 … ik = 24 is = 1 idiag = 6 dE(Ry) = 18.352867910297483 residual = 21.145518469728021
708 … ik = 24 is = 1 idiag = 7 dE(Ry) = 10.484394248775999 residual = 12.193866225392094
709 … ik = 24 is = 1 idiag = 8 dE(Ry) = 5.954632421410189 residual = 8.460840776966663
710 … ik = 24 is = 1 idiag = 9 dE(Ry) = 5.978801930377585 residual = 8.677079914430468
711 … ik = 24 is = 1 idiag = 10 dE(Ry) = 3.294268941546841 residual = 5.020234765223902
712 … ik = 24 is = 1 idiag = 11 dE(Ry) = 3.235935436189534 residual = 4.959332139529708
713 … ik = 24 is = 1 idiag = 12 dE(Ry) = 1.288034907290913 residual = 1.878444334318670
714 … ik = 24 is = 1 idiag = 13 dE(Ry) = 0.287579312808147 residual = 2.842408486018563
715 … ik = 24 is = 1 idiag = 14 dE(Ry) = 0.525090342669236 residual = 3.245139118124631
716 … ik = 24 is = 1 idiag = 15 dE(Ry) = 0.501275247799466 residual = 2.437493105283748
717 … ik = 24 is = 1 idiag = 16 dE(Ry) = 0.405192500114394 residual = 1.253669298613980
718 … ik = 24 is = 1 idiag = 17 dE(Ry) = 0.027933153097972 residual = 0.306717053416404
719 … ik = 24 is = 1 idiag = 18 dE(Ry) = 0.001556119475369 residual = 0.057407356780092
720 … ik = 24 is = 1 idiag = 19 dE(Ry) = 0.000050303815184 residual = 0.009110460522214
721 … ik = 24 is = 1 idiag = 20 dE(Ry) = 0.000001200144465 residual = 0.001276871015421
722 … ik = 24 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.001276870451406
723 … ik = 24 is = 1 idiag = 22 dE(Ry) = 0.000000019042152 residual = 0.000201594439289
724 … ik = 24 is = 1 idiag = 23 dE(Ry) = 0.000000000663363 residual = 0.000038372611390
725 … ik = 24 is = 1 idiag = 24 dE(Ry) = 0.000000000026451 residual = 0.000010356192356
726 … ik = 24 is = 1 idiag = 25 dE(Ry) = 0.000000000001973 residual = 0.000002618295574
727 … ik = 24 is = 1 idiag = 26 dE(Ry) = 0.000000000000132 residual = 0.000000566888576
728 … ik = 24 is = 1 idiag = 27 dE(Ry) = 0.000000000000016 residual = 0.000000193568236
729 … ik = 24 is = 1 idiag = 28 dE(Ry) = 0.000000000000014 residual = 0.000000079763870
730 … ik = 25 is = 1 idiag = 1 dE(Ry) = 240.669824569521978 residual = 262.107563081262242
731 … ik = 25 is = 1 idiag = 2 dE(Ry) = 53.844900048236610 residual = 70.955721436995631
732 … ik = 25 is = 1 idiag = 3 dE(Ry) = 71.347369838520990 residual = 83.298645712292725
733 … ik = 25 is = 1 idiag = 4 dE(Ry) = 48.118832190650096 residual = 55.818400523474473
734 … ik = 25 is = 1 idiag = 5 dE(Ry) = 30.603850384503247 residual = 35.156892064089703
735 … ik = 25 is = 1 idiag = 6 dE(Ry) = 18.161172575670943 residual = 20.995907742055824
736 … ik = 25 is = 1 idiag = 7 dE(Ry) = 10.426960703871542 residual = 12.080441540893434
737 … ik = 25 is = 1 idiag = 8 dE(Ry) = 5.739764416895178 residual = 7.289662705702412
738 … ik = 25 is = 1 idiag = 9 dE(Ry) = 6.060993073923691 residual = 8.864651928800612
739 … ik = 25 is = 1 idiag = 10 dE(Ry) = 3.891581825048596 residual = 5.825306031071227
740 … ik = 25 is = 1 idiag = 11 dE(Ry) = 3.238261698763417 residual = 5.075590123794480
741 … ik = 25 is = 1 idiag = 12 dE(Ry) = 1.594832251750898 residual = 2.279691059023718
742 … ik = 25 is = 1 idiag = 13 dE(Ry) = 0.291025145597203 residual = 2.773565302087594
743 … ik = 25 is = 1 idiag = 14 dE(Ry) = 0.548716710530087 residual = 3.251911350842864
744 … ik = 25 is = 1 idiag = 15 dE(Ry) = 0.464560452094191 residual = 2.290195020523260
745 … ik = 25 is = 1 idiag = 16 dE(Ry) = 0.489641812410934 residual = 1.327270726180008
746 … ik = 25 is = 1 idiag = 17 dE(Ry) = 0.019969063812164 residual = 0.333970262384585
747 … ik = 25 is = 1 idiag = 18 dE(Ry) = 0.002123493302922 residual = 0.069579124867869
748 … ik = 25 is = 1 idiag = 19 dE(Ry) = 0.000071714124352 residual = 0.009209567001739
749 … ik = 25 is = 1 idiag = 20 dE(Ry) = 0.000001197679566 residual = 0.001188403004124
750 … ik = 25 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.001188402400609
751 … ik = 25 is = 1 idiag = 22 dE(Ry) = 0.000000017947177 residual = 0.000192176822506
752 … ik = 25 is = 1 idiag = 23 dE(Ry) = 0.000000000653214 residual = 0.000031205605630
753 … ik = 25 is = 1 idiag = 24 dE(Ry) = 0.000000000017138 residual = 0.000008035347497
754 … ik = 25 is = 1 idiag = 25 dE(Ry) = 0.000000000001195 residual = 0.000002209333439
755 … ik = 25 is = 1 idiag = 26 dE(Ry) = 0.000000000000107 residual = 0.000000475733942
756 … ik = 25 is = 1 idiag = 27 dE(Ry) = 0.000000000000016 residual = 0.000000143317554
757 … ik = 25 is = 1 idiag = 28 dE(Ry) = 0.000000000000015 residual = 0.000000070374383
758 … ik = 26 is = 1 idiag = 1 dE(Ry) = 241.324254903686807 residual = 262.713242516685682
759 … ik = 26 is = 1 idiag = 2 dE(Ry) = 53.619971370319149 residual = 70.526932411327564
760 … ik = 26 is = 1 idiag = 3 dE(Ry) = 71.757303004791623 residual = 83.561965152970402
761 … ik = 26 is = 1 idiag = 4 dE(Ry) = 48.124792182587058 residual = 55.721969302659453
762 … ik = 26 is = 1 idiag = 5 dE(Ry) = 30.498749520408367 residual = 35.090675849533120
763 … ik = 26 is = 1 idiag = 6 dE(Ry) = 18.209043712007656 residual = 21.050496732670517
764 … ik = 26 is = 1 idiag = 7 dE(Ry) = 10.614677849667661 residual = 12.256805633760610
765 … ik = 26 is = 1 idiag = 8 dE(Ry) = 6.143905178855356 residual = 8.955780621969064
766 … ik = 26 is = 1 idiag = 9 dE(Ry) = 6.161940244344815 residual = 8.696806087228724
767 … ik = 26 is = 1 idiag = 10 dE(Ry) = 3.506905539413696 residual = 5.132311546591170
768 … ik = 26 is = 1 idiag = 11 dE(Ry) = 3.212768582781938 residual = 4.967469778901928
769 … ik = 26 is = 1 idiag = 12 dE(Ry) = 1.191229269686825 residual = 1.746273507762871
770 … ik = 26 is = 1 idiag = 13 dE(Ry) = 0.299818652905544 residual = 2.875808173747178
771 … ik = 26 is = 1 idiag = 14 dE(Ry) = 0.585859450198240 residual = 3.585242727013971
772 … ik = 26 is = 1 idiag = 15 dE(Ry) = 0.466011693338303 residual = 4.096736121548259
773 … ik = 26 is = 1 idiag = 16 dE(Ry) = 0.295024356295932 residual = 0.562275922732208
774 … ik = 26 is = 1 idiag = 17 dE(Ry) = 0.005358236567961 residual = 0.102092464495875
775 … ik = 26 is = 1 idiag = 18 dE(Ry) = 0.000229001126971 residual = 0.020232688611686
776 … ik = 26 is = 1 idiag = 19 dE(Ry) = 0.000008950320505 residual = 0.004355504905883
777 … ik = 26 is = 1 idiag = 20 dE(Ry) = 0.000000281432104 residual = 0.000589470872924
778 … ik = 26 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.000589470805742
779 … ik = 26 is = 1 idiag = 22 dE(Ry) = 0.000000004326701 residual = 0.000086865284309
780 … ik = 26 is = 1 idiag = 23 dE(Ry) = 0.000000000147972 residual = 0.000018302787682
781 … ik = 26 is = 1 idiag = 24 dE(Ry) = 0.000000000006326 residual = 0.000005497776135
782 … ik = 26 is = 1 idiag = 25 dE(Ry) = 0.000000000000545 residual = 0.000001274209053
783 … ik = 26 is = 1 idiag = 26 dE(Ry) = 0.000000000000038 residual = 0.000000305855653
784 … ik = 26 is = 1 idiag = 27 dE(Ry) = 0.000000000000017 residual = 0.000000133647618
785 … ik = 26 is = 1 idiag = 28 dE(Ry) = 0.000000000000017 residual = 0.000000055868354
786 … ik = 27 is = 1 idiag = 1 dE(Ry) = 241.054757947864857 residual = 262.601753820692295
787 … ik = 27 is = 1 idiag = 2 dE(Ry) = 53.557879758925623 residual = 70.671797080612265
788 … ik = 27 is = 1 idiag = 3 dE(Ry) = 71.953237620351501 residual = 83.847426692945845
789 … ik = 27 is = 1 idiag = 4 dE(Ry) = 47.838954353200279 residual = 55.310047362383337
790 … ik = 27 is = 1 idiag = 5 dE(Ry) = 30.700120988544853 residual = 35.428496192473673
791 … ik = 27 is = 1 idiag = 6 dE(Ry) = 18.350360872426851 residual = 21.156378334086590
792 … ik = 27 is = 1 idiag = 7 dE(Ry) = 10.611314547984625 residual = 12.262487871031233
793 … ik = 27 is = 1 idiag = 8 dE(Ry) = 5.860010759586272 residual = 8.497825336322110
794 … ik = 27 is = 1 idiag = 9 dE(Ry) = 6.152927272058372 residual = 8.828147812725851
795 … ik = 27 is = 1 idiag = 10 dE(Ry) = 3.608424749569271 residual = 5.578131649923325
796 … ik = 27 is = 1 idiag = 11 dE(Ry) = 3.257428885831067 residual = 5.145993213362596
797 … ik = 27 is = 1 idiag = 12 dE(Ry) = 1.199048213889895 residual = 1.850025298622153
798 … ik = 27 is = 1 idiag = 13 dE(Ry) = 0.271819502834868 residual = 2.833393467001952
799 … ik = 27 is = 1 idiag = 14 dE(Ry) = 0.592203260453007 residual = 3.425549698132252
800 … ik = 27 is = 1 idiag = 15 dE(Ry) = 0.496050999892278 residual = 3.346074124960609
801 … ik = 27 is = 1 idiag = 16 dE(Ry) = 0.486064125936956 residual = 1.040225846318430
802 … ik = 27 is = 1 idiag = 17 dE(Ry) = 0.015598793038347 residual = 0.230548519121646
803 … ik = 27 is = 1 idiag = 18 dE(Ry) = 0.001021970548424 residual = 0.048254127842664
804 … ik = 27 is = 1 idiag = 19 dE(Ry) = 0.000036954183297 residual = 0.007801377185993
805 … ik = 27 is = 1 idiag = 20 dE(Ry) = 0.000000833692407 residual = 0.001051160288410
806 … ik = 27 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.001051159957802
807 … ik = 27 is = 1 idiag = 22 dE(Ry) = 0.000000013564891 residual = 0.000162292516925
808 … ik = 27 is = 1 idiag = 23 dE(Ry) = 0.000000000476296 residual = 0.000032096447899
809 … ik = 27 is = 1 idiag = 24 dE(Ry) = 0.000000000018303 residual = 0.000009233400497
810 … ik = 27 is = 1 idiag = 25 dE(Ry) = 0.000000000001570 residual = 0.000002254971842
811 … ik = 27 is = 1 idiag = 26 dE(Ry) = 0.000000000000102 residual = 0.000000555997720
812 … ik = 27 is = 1 idiag = 27 dE(Ry) = 0.000000000000020 residual = 0.000000248038771
813 … ik = 27 is = 1 idiag = 28 dE(Ry) = 0.000000000000020 residual = 0.000000090024250
814 … ik = 28 is = 1 idiag = 1 dE(Ry) = 240.594316897001534 residual = 262.166330395676994
815 … ik = 28 is = 1 idiag = 2 dE(Ry) = 53.996785955098261 residual = 71.050701553825675
816 … ik = 28 is = 1 idiag = 3 dE(Ry) = 71.881555570957545 residual = 83.752676781334003
817 … ik = 28 is = 1 idiag = 4 dE(Ry) = 47.821442920919267 residual = 55.308577002211962
818 … ik = 28 is = 1 idiag = 5 dE(Ry) = 30.441786072402451 residual = 35.053694470128868
819 … ik = 28 is = 1 idiag = 6 dE(Ry) = 18.319590766646904 residual = 21.125734053313849
820 … ik = 28 is = 1 idiag = 7 dE(Ry) = 10.662071928737152 residual = 12.500378065470693
821 … ik = 28 is = 1 idiag = 8 dE(Ry) = 6.531191592822622 residual = 9.329050247169057
822 … ik = 28 is = 1 idiag = 9 dE(Ry) = 6.148053217269003 residual = 8.920968724268977
823 … ik = 28 is = 1 idiag = 10 dE(Ry) = 3.432233368657029 residual = 5.304405287753017
824 … ik = 28 is = 1 idiag = 11 dE(Ry) = 3.219159788751796 residual = 5.049714826109312
825 … ik = 28 is = 1 idiag = 12 dE(Ry) = 1.137534100935407 residual = 1.701234119711113
826 … ik = 28 is = 1 idiag = 13 dE(Ry) = 0.271160021163692 residual = 2.739104888504353
827 … ik = 28 is = 1 idiag = 14 dE(Ry) = 0.559503892930911 residual = 3.407997536457876
828 … ik = 28 is = 1 idiag = 15 dE(Ry) = 0.466867656827967 residual = 1.919246894637807
829 … ik = 28 is = 1 idiag = 16 dE(Ry) = 0.486248556518055 residual = 0.953463949130048
830 … ik = 28 is = 1 idiag = 17 dE(Ry) = 0.016245807380354 residual = 0.240759008698114
831 … ik = 28 is = 1 idiag = 18 dE(Ry) = 0.001011639306726 residual = 0.039955127187803
832 … ik = 28 is = 1 idiag = 19 dE(Ry) = 0.000024946014934 residual = 0.006556493627828
833 … ik = 28 is = 1 idiag = 20 dE(Ry) = 0.000000580154487 residual = 0.000867373224851
834 … ik = 28 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.000867373030829
835 … ik = 28 is = 1 idiag = 22 dE(Ry) = 0.000000008681798 residual = 0.000133103489908
836 … ik = 28 is = 1 idiag = 23 dE(Ry) = 0.000000000265199 residual = 0.000025742081886
837 … ik = 28 is = 1 idiag = 24 dE(Ry) = 0.000000000012474 residual = 0.000006877224431
838 … ik = 28 is = 1 idiag = 25 dE(Ry) = 0.000000000000877 residual = 0.000001567097815
839 … ik = 28 is = 1 idiag = 26 dE(Ry) = 0.000000000000061 residual = 0.000000445810279
840 … ik = 28 is = 1 idiag = 27 dE(Ry) = 0.000000000000014 residual = 0.000000201424236
841 … ik = 28 is = 1 idiag = 28 dE(Ry) = 0.000000000000018 residual = 0.000000071285060
842 … ik = 29 is = 1 idiag = 1 dE(Ry) = 240.795191100959528 residual = 262.535284297080239
843 … ik = 29 is = 1 idiag = 2 dE(Ry) = 53.839326809659099 residual = 70.910311740843468
844 … ik = 29 is = 1 idiag = 3 dE(Ry) = 71.899113516730154 residual = 83.945166189037138
845 … ik = 29 is = 1 idiag = 4 dE(Ry) = 47.726130474171299 residual = 55.284618433005178
846 … ik = 29 is = 1 idiag = 5 dE(Ry) = 30.648194364051477 residual = 35.295848616910277
847 … ik = 29 is = 1 idiag = 6 dE(Ry) = 18.394731871282609 residual = 21.177237145181653
848 … ik = 29 is = 1 idiag = 7 dE(Ry) = 10.316323492090532 residual = 12.080229198599749
849 … ik = 29 is = 1 idiag = 8 dE(Ry) = 5.949247818433685 residual = 8.162840301505597
850 … ik = 29 is = 1 idiag = 9 dE(Ry) = 6.126803744402295 residual = 8.816683590209271
851 … ik = 29 is = 1 idiag = 10 dE(Ry) = 3.335662157093034 residual = 5.109794313701913
852 … ik = 29 is = 1 idiag = 11 dE(Ry) = 3.250997484489423 residual = 5.057850785989380
853 … ik = 29 is = 1 idiag = 12 dE(Ry) = 1.178393340269897 residual = 1.774967456141192
854 … ik = 29 is = 1 idiag = 13 dE(Ry) = 0.337985773060453 residual = 2.926767937820124
855 … ik = 29 is = 1 idiag = 14 dE(Ry) = 0.628336933596676 residual = 3.353722751458774
856 … ik = 29 is = 1 idiag = 15 dE(Ry) = 0.421080836583277 residual = 4.271291385964417
857 … ik = 29 is = 1 idiag = 16 dE(Ry) = 0.361458089651289 residual = 0.703945704087424
858 … ik = 29 is = 1 idiag = 17 dE(Ry) = 0.006935004831375 residual = 0.121123450801731
859 … ik = 29 is = 1 idiag = 18 dE(Ry) = 0.000261618587817 residual = 0.022683302788082
860 … ik = 29 is = 1 idiag = 19 dE(Ry) = 0.000007703871915 residual = 0.003357688736174
861 … ik = 29 is = 1 idiag = 20 dE(Ry) = 0.000000147456898 residual = 0.000408671034059
862 … ik = 29 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.000408671007457
863 … ik = 29 is = 1 idiag = 22 dE(Ry) = 0.000000002009213 residual = 0.000063367227146
864 … ik = 29 is = 1 idiag = 23 dE(Ry) = 0.000000000064978 residual = 0.000011138518195
865 … ik = 29 is = 1 idiag = 24 dE(Ry) = 0.000000000002367 residual = 0.000003176835683
866 … ik = 29 is = 1 idiag = 25 dE(Ry) = 0.000000000000189 residual = 0.000000808094532
867 … ik = 29 is = 1 idiag = 26 dE(Ry) = 0.000000000000018 residual = 0.000000214292986
868 … ik = 29 is = 1 idiag = 27 dE(Ry) = 0.000000000000016 residual = 0.000000097468983
869 … ik = 30 is = 1 idiag = 1 dE(Ry) = 240.681900723823844 residual = 262.098864177059909
870 … ik = 30 is = 1 idiag = 2 dE(Ry) = 53.926131199409724 residual = 71.026011284712098
871 … ik = 30 is = 1 idiag = 3 dE(Ry) = 71.646438805663536 residual = 83.585302133384559
872 … ik = 30 is = 1 idiag = 4 dE(Ry) = 47.896174648109124 residual = 55.318801017445253
873 … ik = 30 is = 1 idiag = 5 dE(Ry) = 30.497022818670303 residual = 35.202211368161485
874 … ik = 30 is = 1 idiag = 6 dE(Ry) = 18.669881293219319 residual = 21.510994854606732
875 … ik = 30 is = 1 idiag = 7 dE(Ry) = 10.370506407907834 residual = 12.099190985664860
876 … ik = 30 is = 1 idiag = 8 dE(Ry) = 5.895044473624826 residual = 8.079872504892792
877 … ik = 30 is = 1 idiag = 9 dE(Ry) = 5.879442142929842 residual = 8.705764636506261
878 … ik = 30 is = 1 idiag = 10 dE(Ry) = 3.845682014817625 residual = 5.319741606794445
879 … ik = 30 is = 1 idiag = 11 dE(Ry) = 3.319159037054459 residual = 5.129314841431266
880 … ik = 30 is = 1 idiag = 12 dE(Ry) = 1.196438192018104 residual = 1.809686656643091
881 … ik = 30 is = 1 idiag = 13 dE(Ry) = 0.288508312227932 residual = 2.563128340001375
882 … ik = 30 is = 1 idiag = 14 dE(Ry) = 0.583333825819269 residual = 3.939428865977658
883 … ik = 30 is = 1 idiag = 15 dE(Ry) = 0.521898011490600 residual = 1.762130670853736
884 … ik = 30 is = 1 idiag = 16 dE(Ry) = 0.488610301445181 residual = 0.903177603501728
885 … ik = 30 is = 1 idiag = 17 dE(Ry) = 0.022191938716826 residual = 0.273451043143295
886 … ik = 30 is = 1 idiag = 18 dE(Ry) = 0.001221592438121 residual = 0.053661931005734
887 … ik = 30 is = 1 idiag = 19 dE(Ry) = 0.000044398196450 residual = 0.008796605025039
888 … ik = 30 is = 1 idiag = 20 dE(Ry) = 0.000001062243472 residual = 0.001067936247279
889 … ik = 30 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.001067935718988
890 … ik = 30 is = 1 idiag = 22 dE(Ry) = 0.000000013204548 residual = 0.000154740265673
891 … ik = 30 is = 1 idiag = 23 dE(Ry) = 0.000000000365725 residual = 0.000028801457517
892 … ik = 30 is = 1 idiag = 24 dE(Ry) = 0.000000000014925 residual = 0.000007944918715
893 … ik = 30 is = 1 idiag = 25 dE(Ry) = 0.000000000001134 residual = 0.000001960578761
894 … ik = 30 is = 1 idiag = 26 dE(Ry) = 0.000000000000085 residual = 0.000000482093672
895 … ik = 30 is = 1 idiag = 27 dE(Ry) = 0.000000000000016 residual = 0.000000232839477
896 … ik = 30 is = 1 idiag = 28 dE(Ry) = 0.000000000000013 residual = 0.000000107155622
897 … ik = 30 is = 1 idiag = 29 dE(Ry) = 0.000000000000012 residual = 0.000000042557017
898 … ik = 31 is = 1 idiag = 1 dE(Ry) = 240.596262616733156 residual = 262.122798263335255
899 … ik = 31 is = 1 idiag = 2 dE(Ry) = 53.802149658214944 residual = 70.977001091127235
900 … ik = 31 is = 1 idiag = 3 dE(Ry) = 71.934049262595153 residual = 83.704047872060087
901 … ik = 31 is = 1 idiag = 4 dE(Ry) = 47.787358691311738 residual = 55.371627987207624
902 … ik = 31 is = 1 idiag = 5 dE(Ry) = 30.575881075389375 residual = 35.186277687339604
903 … ik = 31 is = 1 idiag = 6 dE(Ry) = 18.228506012358707 residual = 21.039181375644819
904 … ik = 31 is = 1 idiag = 7 dE(Ry) = 10.483631680561800 residual = 12.190797655153583
905 … ik = 31 is = 1 idiag = 8 dE(Ry) = 5.689529277936774 residual = 7.677624413881329
906 … ik = 31 is = 1 idiag = 9 dE(Ry) = 6.341702877837575 residual = 8.975571862609101
907 … ik = 31 is = 1 idiag = 10 dE(Ry) = 3.525677543464030 residual = 5.323975092987294
908 … ik = 31 is = 1 idiag = 11 dE(Ry) = 3.295788172434399 residual = 5.221785894354134
909 … ik = 31 is = 1 idiag = 12 dE(Ry) = 1.498492498292263 residual = 2.238753542051813
910 … ik = 31 is = 1 idiag = 13 dE(Ry) = 0.251714142096174 residual = 2.890660547468748
911 … ik = 31 is = 1 idiag = 14 dE(Ry) = 0.549985024649918 residual = 3.269396405313744
912 … ik = 31 is = 1 idiag = 15 dE(Ry) = 0.555788422279122 residual = 1.129435526694541
913 … ik = 31 is = 1 idiag = 16 dE(Ry) = 0.403615017918633 residual = 1.310300313728568
914 … ik = 31 is = 1 idiag = 17 dE(Ry) = 0.027347265337367 residual = 0.279956248939507
915 … ik = 31 is = 1 idiag = 18 dE(Ry) = 0.001298756469462 residual = 0.048738005593256
916 … ik = 31 is = 1 idiag = 19 dE(Ry) = 0.000037325101790 residual = 0.007402825830869
917 … ik = 31 is = 1 idiag = 20 dE(Ry) = 0.000000727282716 residual = 0.000843150839359
918 … ik = 31 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.000843150525690
919 … ik = 31 is = 1 idiag = 22 dE(Ry) = 0.000000008613676 residual = 0.000122914502191
920 … ik = 31 is = 1 idiag = 23 dE(Ry) = 0.000000000264549 residual = 0.000023372682550
921 … ik = 31 is = 1 idiag = 24 dE(Ry) = 0.000000000010231 residual = 0.000006626534731
922 … ik = 31 is = 1 idiag = 25 dE(Ry) = 0.000000000000797 residual = 0.000001855618685
923 … ik = 31 is = 1 idiag = 26 dE(Ry) = 0.000000000000077 residual = 0.000000715288697
924 … ik = 31 is = 1 idiag = 27 dE(Ry) = 0.000000000000017 residual = 0.000000379283845
925 … ik = 31 is = 1 idiag = 28 dE(Ry) = 0.000000000000023 residual = 0.000000129350721
926 … ik = 31 is = 1 idiag = 29 dE(Ry) = 0.000000000000028 residual = 0.000000048717335
927 … ik = 32 is = 1 idiag = 1 dE(Ry) = 241.366208024390687 residual = 262.856387688997188
928 … ik = 32 is = 1 idiag = 2 dE(Ry) = 53.764709436353002 residual = 70.824040090087493
929 … ik = 32 is = 1 idiag = 3 dE(Ry) = 71.500190482529717 residual = 83.261151139384808
930 … ik = 32 is = 1 idiag = 4 dE(Ry) = 48.091453667081879 residual = 55.567085104714387
931 … ik = 32 is = 1 idiag = 5 dE(Ry) = 30.549869715405222 residual = 35.200285841593711
932 … ik = 32 is = 1 idiag = 6 dE(Ry) = 18.906933457227424 residual = 21.610401456618511
933 … ik = 32 is = 1 idiag = 7 dE(Ry) = 10.442658297934550 residual = 12.153433491957578
934 … ik = 32 is = 1 idiag = 8 dE(Ry) = 5.653761683088817 residual = 8.439931608225123
935 … ik = 32 is = 1 idiag = 9 dE(Ry) = 6.660750662249660 residual = 9.115487055970958
936 … ik = 32 is = 1 idiag = 10 dE(Ry) = 3.182899805692808 residual = 4.863031904334036
937 … ik = 32 is = 1 idiag = 11 dE(Ry) = 3.300602493638916 residual = 5.243819832079049
938 … ik = 32 is = 1 idiag = 12 dE(Ry) = 1.344739430819831 residual = 2.044730228263430
939 … ik = 32 is = 1 idiag = 13 dE(Ry) = 0.284452366187586 residual = 2.697737525820906
940 … ik = 32 is = 1 idiag = 14 dE(Ry) = 0.588655539285917 residual = 3.288749824404558
941 … ik = 32 is = 1 idiag = 15 dE(Ry) = 0.452497400261784 residual = 3.752810037744610
942 … ik = 32 is = 1 idiag = 16 dE(Ry) = 0.418674643531138 residual = 0.764572393503549
943 … ik = 32 is = 1 idiag = 17 dE(Ry) = 0.011662066104155 residual = 0.154406255176780
944 … ik = 32 is = 1 idiag = 18 dE(Ry) = 0.000422704513327 residual = 0.028521774964792
945 … ik = 32 is = 1 idiag = 19 dE(Ry) = 0.000012807491484 residual = 0.004443499011011
946 … ik = 32 is = 1 idiag = 20 dE(Ry) = 0.000000280598181 residual = 0.000551832386464
947 … ik = 32 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.000551832315124
948 … ik = 32 is = 1 idiag = 22 dE(Ry) = 0.000000003663195 residual = 0.000079496354937
949 … ik = 32 is = 1 idiag = 23 dE(Ry) = 0.000000000112595 residual = 0.000014207869593
950 … ik = 32 is = 1 idiag = 24 dE(Ry) = 0.000000000003752 residual = 0.000003843750108
951 … ik = 32 is = 1 idiag = 25 dE(Ry) = 0.000000000000284 residual = 0.000001044945370
952 … ik = 32 is = 1 idiag = 26 dE(Ry) = 0.000000000000026 residual = 0.000000314329842
953 … ik = 32 is = 1 idiag = 27 dE(Ry) = 0.000000000000018 residual = 0.000000147158562
954 … ik = 32 is = 1 idiag = 28 dE(Ry) = 0.000000000000019 residual = 0.000000059517154
955 … ik = 33 is = 1 idiag = 1 dE(Ry) = 241.170883959085103 residual = 262.462869227257954
956 … ik = 33 is = 1 idiag = 2 dE(Ry) = 53.865426421476542 residual = 70.868017720641220
957 … ik = 33 is = 1 idiag = 3 dE(Ry) = 71.735658039903427 residual = 83.454515706798702
958 … ik = 33 is = 1 idiag = 4 dE(Ry) = 47.950440493595963 residual = 55.337814666591449
959 … ik = 33 is = 1 idiag = 5 dE(Ry) = 30.622999330860623 residual = 35.384113315504479
960 … ik = 33 is = 1 idiag = 6 dE(Ry) = 18.602018792014679 residual = 21.488915555854117
961 … ik = 33 is = 1 idiag = 7 dE(Ry) = 10.637097287052974 residual = 12.300515525030598
962 … ik = 33 is = 1 idiag = 8 dE(Ry) = 6.439662693998058 residual = 8.786555042323315
963 … ik = 33 is = 1 idiag = 9 dE(Ry) = 5.385457886252921 residual = 8.364793308006860
964 … ik = 33 is = 1 idiag = 10 dE(Ry) = 3.943386631422646 residual = 5.653710618997400
965 … ik = 33 is = 1 idiag = 11 dE(Ry) = 3.310518001434006 residual = 5.211970194204469
966 … ik = 33 is = 1 idiag = 12 dE(Ry) = 1.271600726939386 residual = 1.951642620411608
967 … ik = 33 is = 1 idiag = 13 dE(Ry) = 0.264698200717107 residual = 2.823585014109166
968 … ik = 33 is = 1 idiag = 14 dE(Ry) = 0.554901678944496 residual = 3.429156123853181
969 … ik = 33 is = 1 idiag = 15 dE(Ry) = 0.542480059465212 residual = 1.583935068318604
970 … ik = 33 is = 1 idiag = 16 dE(Ry) = 0.403973492032259 residual = 1.238418547626349
971 … ik = 33 is = 1 idiag = 17 dE(Ry) = 0.021197723169842 residual = 0.240871472300694
972 … ik = 33 is = 1 idiag = 18 dE(Ry) = 0.001039627929121 residual = 0.047844197672197
973 … ik = 33 is = 1 idiag = 19 dE(Ry) = 0.000035364831526 residual = 0.007861015048880
974 … ik = 33 is = 1 idiag = 20 dE(Ry) = 0.000000864649433 residual = 0.001025230829433
975 … ik = 33 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.001025230464823
976 … ik = 33 is = 1 idiag = 22 dE(Ry) = 0.000000013033244 residual = 0.000158536424070
977 … ik = 33 is = 1 idiag = 23 dE(Ry) = 0.000000000434537 residual = 0.000029495362249
978 … ik = 33 is = 1 idiag = 24 dE(Ry) = 0.000000000016122 residual = 0.000008644252249
979 … ik = 33 is = 1 idiag = 25 dE(Ry) = 0.000000000001299 residual = 0.000002152750705
980 … ik = 33 is = 1 idiag = 26 dE(Ry) = 0.000000000000076 residual = 0.000000524021781
981 … ik = 33 is = 1 idiag = 27 dE(Ry) = 0.000000000000015 residual = 0.000000266012381
982 … ik = 33 is = 1 idiag = 28 dE(Ry) = 0.000000000000015 residual = 0.000000102415291
983 … ik = 33 is = 1 idiag = 29 dE(Ry) = 0.000000000000018 residual = 0.000000036609523
984 … ik = 34 is = 1 idiag = 1 dE(Ry) = 241.574431269579662 residual = 262.884458681968965
985 … ik = 34 is = 1 idiag = 2 dE(Ry) = 53.640137885034875 residual = 70.619979515345207
986 … ik = 34 is = 1 idiag = 3 dE(Ry) = 71.582561741413002 residual = 83.650212918038804
987 … ik = 34 is = 1 idiag = 4 dE(Ry) = 48.222547365132314 residual = 55.670913583203564
988 … ik = 34 is = 1 idiag = 5 dE(Ry) = 30.637449329829934 residual = 35.285168409340685
989 … ik = 34 is = 1 idiag = 6 dE(Ry) = 18.390398374452197 residual = 21.245248910438491
990 … ik = 34 is = 1 idiag = 7 dE(Ry) = 10.591243626043843 residual = 12.216060160608937
991 … ik = 34 is = 1 idiag = 8 dE(Ry) = 5.677231318778586 residual = 7.618864362310549
992 … ik = 34 is = 1 idiag = 9 dE(Ry) = 6.400345989251104 residual = 8.953335551436258
993 … ik = 34 is = 1 idiag = 10 dE(Ry) = 3.467877074608035 residual = 5.035487229096470
994 … ik = 34 is = 1 idiag = 11 dE(Ry) = 3.288279911129716 residual = 5.123593019935153
995 … ik = 34 is = 1 idiag = 12 dE(Ry) = 1.343380972731262 residual = 2.013625489901147
996 … ik = 34 is = 1 idiag = 13 dE(Ry) = 0.282048768483321 residual = 2.824869167923071
997 … ik = 34 is = 1 idiag = 14 dE(Ry) = 0.557013531614394 residual = 3.160444210946864
998 … ik = 34 is = 1 idiag = 15 dE(Ry) = 0.517990667449595 residual = 1.579023780051425
999 … ik = 34 is = 1 idiag = 16 dE(Ry) = 0.301301916943636 residual = 1.101442599981781
1000 … ik = 34 is = 1 idiag = 17 dE(Ry) = 0.015807489387576 residual = 0.222901324306548
1001 … ik = 34 is = 1 idiag = 18 dE(Ry) = 0.000872636384636 residual = 0.039412187795497
1002 … ik = 34 is = 1 idiag = 19 dE(Ry) = 0.000024703740980 residual = 0.006384242405659
1003 … ik = 34 is = 1 idiag = 20 dE(Ry) = 0.000000543302162 residual = 0.000793111944655
1004 … ik = 34 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.000793111758568
1005 … ik = 34 is = 1 idiag = 22 dE(Ry) = 0.000000007268584 residual = 0.000118227175897
1006 … ik = 34 is = 1 idiag = 23 dE(Ry) = 0.000000000221506 residual = 0.000019636896752
1007 … ik = 34 is = 1 idiag = 24 dE(Ry) = 0.000000000007089 residual = 0.000005096422819
1008 … ik = 34 is = 1 idiag = 25 dE(Ry) = 0.000000000000532 residual = 0.000001482304499
1009 … ik = 34 is = 1 idiag = 26 dE(Ry) = 0.000000000000056 residual = 0.000000414850457
1010 … ik = 34 is = 1 idiag = 27 dE(Ry) = 0.000000000000020 residual = 0.000000209029703
1011 … ik = 34 is = 1 idiag = 28 dE(Ry) = 0.000000000000017 residual = 0.000000086626589
1012 … ik = 35 is = 1 idiag = 1 dE(Ry) = 240.981078059131846 residual = 262.368273324048687
1013 … ik = 35 is = 1 idiag = 2 dE(Ry) = 54.030471902107678 residual = 71.052351238750745
1014 … ik = 35 is = 1 idiag = 3 dE(Ry) = 71.401366375052277 residual = 83.382968411000306
1015 … ik = 35 is = 1 idiag = 4 dE(Ry) = 47.998509017888836 residual = 55.631265504302938
1016 … ik = 35 is = 1 idiag = 5 dE(Ry) = 30.724305380243848 residual = 35.346632894029042
1017 … ik = 35 is = 1 idiag = 6 dE(Ry) = 18.430381181404506 residual = 21.195870814702825
1018 … ik = 35 is = 1 idiag = 7 dE(Ry) = 10.381799170854723 residual = 12.076380067732469
1019 … ik = 35 is = 1 idiag = 8 dE(Ry) = 5.845851610410477 residual = 7.772614566181643
1020 … ik = 35 is = 1 idiag = 9 dE(Ry) = 5.825854710324506 residual = 8.623505008041137
1021 … ik = 35 is = 1 idiag = 10 dE(Ry) = 3.803980641962525 residual = 5.631569410415324
1022 … ik = 35 is = 1 idiag = 11 dE(Ry) = 3.306120002668636 residual = 4.986977416227672
1023 … ik = 35 is = 1 idiag = 12 dE(Ry) = 1.359041801006155 residual = 1.992285490924939
1024 … ik = 35 is = 1 idiag = 13 dE(Ry) = 0.266650442358775 residual = 2.717679570257360
1025 … ik = 35 is = 1 idiag = 14 dE(Ry) = 0.549663157047482 residual = 3.403112683974153
1026 … ik = 35 is = 1 idiag = 15 dE(Ry) = 0.397494955403309 residual = 3.052471929874507
1027 … ik = 35 is = 1 idiag = 16 dE(Ry) = 0.176812253242622 residual = 0.607512097220373
1028 … ik = 35 is = 1 idiag = 17 dE(Ry) = 0.007038494343186 residual = 0.115515503259940
1029 … ik = 35 is = 1 idiag = 18 dE(Ry) = 0.000241644877661 residual = 0.021899271992181
1030 … ik = 35 is = 1 idiag = 19 dE(Ry) = 0.000007568556306 residual = 0.003702821081242
1031 … ik = 35 is = 1 idiag = 20 dE(Ry) = 0.000000187824458 residual = 0.000430445476397
1032 … ik = 35 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.000430445435418
1033 … ik = 35 is = 1 idiag = 22 dE(Ry) = 0.000000002352958 residual = 0.000062490720672
1034 … ik = 35 is = 1 idiag = 23 dE(Ry) = 0.000000000071916 residual = 0.000012612722127
1035 … ik = 35 is = 1 idiag = 24 dE(Ry) = 0.000000000002965 residual = 0.000003429801270
1036 … ik = 35 is = 1 idiag = 25 dE(Ry) = 0.000000000000221 residual = 0.000000915493104
1037 … ik = 35 is = 1 idiag = 26 dE(Ry) = 0.000000000000028 residual = 0.000000300722662
1038 … ik = 35 is = 1 idiag = 27 dE(Ry) = 0.000000000000015 residual = 0.000000169661123
1039 … ik = 35 is = 1 idiag = 28 dE(Ry) = 0.000000000000014 residual = 0.000000061609272
1040 … ik = 36 is = 1 idiag = 1 dE(Ry) = 241.809881325409407 residual = 263.306806904143968
1041 … ik = 36 is = 1 idiag = 2 dE(Ry) = 53.760320604633705 residual = 70.702046132685666
1042 … ik = 36 is = 1 idiag = 3 dE(Ry) = 72.248401547380098 residual = 84.044180824250518
1043 … ik = 36 is = 1 idiag = 4 dE(Ry) = 48.249911460021735 residual = 55.874606627377993
1044 … ik = 36 is = 1 idiag = 5 dE(Ry) = 30.665474893025504 residual = 35.279461280038596
1045 … ik = 36 is = 1 idiag = 6 dE(Ry) = 18.206870211467347 residual = 21.053546836613606
1046 … ik = 36 is = 1 idiag = 7 dE(Ry) = 10.490537643349889 residual = 12.165069503463037
1047 … ik = 36 is = 1 idiag = 8 dE(Ry) = 5.901689869624350 residual = 7.986181082840051
1048 … ik = 36 is = 1 idiag = 9 dE(Ry) = 6.359040530455653 residual = 9.011338275819973
1049 … ik = 36 is = 1 idiag = 10 dE(Ry) = 3.646870594510294 residual = 5.488102471528958
1050 … ik = 36 is = 1 idiag = 11 dE(Ry) = 3.282271040025965 residual = 5.087389930960319
1051 … ik = 36 is = 1 idiag = 12 dE(Ry) = 1.396372576028615 residual = 2.040595358919372
1052 … ik = 36 is = 1 idiag = 13 dE(Ry) = 0.261037847184260 residual = 2.906117501050472
1053 … ik = 36 is = 1 idiag = 14 dE(Ry) = 0.559210863643555 residual = 2.906893331057960
1054 … ik = 36 is = 1 idiag = 15 dE(Ry) = 0.492765859470755 residual = 1.418999332576304
1055 … ik = 36 is = 1 idiag = 16 dE(Ry) = 0.300363973291297 residual = 1.360062673873501
1056 … ik = 36 is = 1 idiag = 17 dE(Ry) = 0.043474052068130 residual = 0.314669114339507
1057 … ik = 36 is = 1 idiag = 18 dE(Ry) = 0.001739724462257 residual = 0.065866419374702
1058 … ik = 36 is = 1 idiag = 19 dE(Ry) = 0.000068982849497 residual = 0.010676569038933
1059 … ik = 36 is = 1 idiag = 20 dE(Ry) = 0.000001472684068 residual = 0.001401907965865
1060 … ik = 36 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.001401907192347
1061 … ik = 36 is = 1 idiag = 22 dE(Ry) = 0.000000021930659 residual = 0.000217985999493
1062 … ik = 36 is = 1 idiag = 23 dE(Ry) = 0.000000000748571 residual = 0.000036149461691
1063 … ik = 36 is = 1 idiag = 24 dE(Ry) = 0.000000000022772 residual = 0.000009266164552
1064 … ik = 36 is = 1 idiag = 25 dE(Ry) = 0.000000000001607 residual = 0.000002425205478
1065 … ik = 36 is = 1 idiag = 26 dE(Ry) = 0.000000000000115 residual = 0.000000563330003
1066 … ik = 36 is = 1 idiag = 27 dE(Ry) = 0.000000000000013 residual = 0.000000185602516
1067 … ik = 36 is = 1 idiag = 28 dE(Ry) = 0.000000000000012 residual = 0.000000077267587
1068 … ik = 37 is = 1 idiag = 1 dE(Ry) = 241.394047477582490 residual = 262.799890712271065
1069 … ik = 37 is = 1 idiag = 2 dE(Ry) = 53.823071240164609 residual = 70.814247099870826
1070 … ik = 37 is = 1 idiag = 3 dE(Ry) = 71.877956270825251 residual = 83.440666449619343
1071 … ik = 37 is = 1 idiag = 4 dE(Ry) = 48.157928803352547 residual = 55.683963228858069
1072 … ik = 37 is = 1 idiag = 5 dE(Ry) = 30.525831271088236 residual = 35.237124726371810
1073 … ik = 37 is = 1 idiag = 6 dE(Ry) = 18.627749481794257 residual = 21.399937605978362
1074 … ik = 37 is = 1 idiag = 7 dE(Ry) = 10.463349143207765 residual = 12.180771494903416
1075 … ik = 37 is = 1 idiag = 8 dE(Ry) = 6.144940979623523 residual = 8.561621162500874
1076 … ik = 37 is = 1 idiag = 9 dE(Ry) = 6.112154201717935 residual = 8.706175970040331
1077 … ik = 37 is = 1 idiag = 10 dE(Ry) = 3.582971267119927 residual = 5.230731117566852
1078 … ik = 37 is = 1 idiag = 11 dE(Ry) = 3.299121248369167 residual = 5.056361016817667
1079 … ik = 37 is = 1 idiag = 12 dE(Ry) = 1.295242892868004 residual = 1.913402033663387
1080 … ik = 37 is = 1 idiag = 13 dE(Ry) = 0.374233233033214 residual = 3.169213115673726
1081 … ik = 37 is = 1 idiag = 14 dE(Ry) = 0.625997257742606 residual = 3.418664124334997
1082 … ik = 37 is = 1 idiag = 15 dE(Ry) = 0.467897255329303 residual = 3.000351640111450
1083 … ik = 37 is = 1 idiag = 16 dE(Ry) = 0.169160071312706 residual = 1.962871372852151
1084 … ik = 37 is = 1 idiag = 17 dE(Ry) = 0.045313923928245 residual = 0.328125349308760
1085 … ik = 37 is = 1 idiag = 18 dE(Ry) = 0.001580513577237 residual = 0.063991407961744
1086 … ik = 37 is = 1 idiag = 19 dE(Ry) = 0.000062135486917 residual = 0.010797789870766
1087 … ik = 37 is = 1 idiag = 20 dE(Ry) = 0.000001491597259 residual = 0.001371099807032
1088 … ik = 37 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.001371098995688
1089 … ik = 37 is = 1 idiag = 22 dE(Ry) = 0.000000022137233 residual = 0.000219473747310
1090 … ik = 37 is = 1 idiag = 23 dE(Ry) = 0.000000000786719 residual = 0.000039516731736
1091 … ik = 37 is = 1 idiag = 24 dE(Ry) = 0.000000000026778 residual = 0.000011317722278
1092 … ik = 37 is = 1 idiag = 25 dE(Ry) = 0.000000000002199 residual = 0.000002636109197
1093 … ik = 37 is = 1 idiag = 26 dE(Ry) = 0.000000000000136 residual = 0.000000599827141
1094 … ik = 37 is = 1 idiag = 27 dE(Ry) = 0.000000000000016 residual = 0.000000317078427
1095 … ik = 37 is = 1 idiag = 28 dE(Ry) = 0.000000000000016 residual = 0.000000137167715
1096 … ik = 37 is = 1 idiag = 29 dE(Ry) = 0.000000000000014 residual = 0.000000059759770
1097 … ik = 38 is = 1 idiag = 1 dE(Ry) = 241.519177091895102 residual = 262.907361338964961
1098 … ik = 38 is = 1 idiag = 2 dE(Ry) = 54.307615517157529 residual = 71.199205567420151
1099 … ik = 38 is = 1 idiag = 3 dE(Ry) = 71.743550561290391 residual = 83.606410538619670
1100 … ik = 38 is = 1 idiag = 4 dE(Ry) = 48.347912082924097 residual = 55.837610355816700
1101 … ik = 38 is = 1 idiag = 5 dE(Ry) = 30.841062235235484 residual = 35.503838242396093
1102 … ik = 38 is = 1 idiag = 6 dE(Ry) = 18.230440736399547 residual = 21.051544060673034
1103 … ik = 38 is = 1 idiag = 7 dE(Ry) = 10.553218324888352 residual = 12.289265603292714
1104 … ik = 38 is = 1 idiag = 8 dE(Ry) = 6.364620483392103 residual = 9.110862550172707
1105 … ik = 38 is = 1 idiag = 9 dE(Ry) = 5.937331739389126 residual = 8.783323725698652
1106 … ik = 38 is = 1 idiag = 10 dE(Ry) = 3.500895196041102 residual = 5.104462617453205
1107 … ik = 38 is = 1 idiag = 11 dE(Ry) = 3.261931465884464 residual = 5.236944998583820
1108 … ik = 38 is = 1 idiag = 12 dE(Ry) = 1.523179515871794 residual = 2.175417219715765
1109 … ik = 38 is = 1 idiag = 13 dE(Ry) = 0.402915173857677 residual = 3.023430690907200
1110 … ik = 38 is = 1 idiag = 14 dE(Ry) = 0.597177028086321 residual = 2.850067196763522
1111 … ik = 38 is = 1 idiag = 15 dE(Ry) = 0.280003403659941 residual = 3.103281505315900
1112 … ik = 38 is = 1 idiag = 16 dE(Ry) = 0.300970376005809 residual = 0.930022161676791
1113 … ik = 38 is = 1 idiag = 17 dE(Ry) = 0.015918459675628 residual = 0.167010507920984
1114 … ik = 38 is = 1 idiag = 18 dE(Ry) = 0.000361863480807 residual = 0.022049599743044
1115 … ik = 38 is = 1 idiag = 19 dE(Ry) = 0.000007055926299 residual = 0.003466896275003
1116 … ik = 38 is = 1 idiag = 20 dE(Ry) = 0.000000148471607 residual = 0.000438506955925
1117 … ik = 38 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.000438506931377
1118 … ik = 38 is = 1 idiag = 22 dE(Ry) = 0.000000002235716 residual = 0.000069558461151
1119 … ik = 38 is = 1 idiag = 23 dE(Ry) = 0.000000000076181 residual = 0.000012253441383
1120 … ik = 38 is = 1 idiag = 24 dE(Ry) = 0.000000000002637 residual = 0.000003365565753
1121 … ik = 38 is = 1 idiag = 25 dE(Ry) = 0.000000000000215 residual = 0.000000817913096
1122 … ik = 38 is = 1 idiag = 26 dE(Ry) = 0.000000000000029 residual = 0.000000202113725
1123 … ik = 38 is = 1 idiag = 27 dE(Ry) = 0.000000000000018 residual = 0.000000101284856
1124 … ik = 38 is = 1 idiag = 28 dE(Ry) = 0.000000000000020 residual = 0.000000060325851
1125 … ik = 39 is = 1 idiag = 1 dE(Ry) = 240.941659432633799 residual = 262.614377173199500
1126 … ik = 39 is = 1 idiag = 2 dE(Ry) = 53.860760858986225 residual = 70.829014284915090
1127 … ik = 39 is = 1 idiag = 3 dE(Ry) = 71.891924522085361 residual = 83.674313857309571
1128 … ik = 39 is = 1 idiag = 4 dE(Ry) = 47.901060426471247 residual = 55.447007270423363
1129 … ik = 39 is = 1 idiag = 5 dE(Ry) = 30.586887333122220 residual = 35.281116315271980
1130 … ik = 39 is = 1 idiag = 6 dE(Ry) = 18.344219627668700 residual = 21.136371431863182
1131 … ik = 39 is = 1 idiag = 7 dE(Ry) = 10.226469033632371 residual = 11.965254821323951
1132 … ik = 39 is = 1 idiag = 8 dE(Ry) = 5.964994759611169 residual = 8.679683990806177
1133 … ik = 39 is = 1 idiag = 9 dE(Ry) = 6.416724166441003 residual = 8.903894196660989
1134 … ik = 39 is = 1 idiag = 10 dE(Ry) = 3.838250141321427 residual = 5.541134157912042
1135 … ik = 39 is = 1 idiag = 11 dE(Ry) = 3.320260238843249 residual = 5.113466379148179
1136 … ik = 39 is = 1 idiag = 12 dE(Ry) = 1.240118389920051 residual = 1.847329677907285
1137 … ik = 39 is = 1 idiag = 13 dE(Ry) = 0.339406598795897 residual = 2.993274998147214
1138 … ik = 39 is = 1 idiag = 14 dE(Ry) = 0.646414098782505 residual = 3.898647701991640
1139 … ik = 39 is = 1 idiag = 15 dE(Ry) = 0.364911982630839 residual = 2.393655945067868
1140 … ik = 39 is = 1 idiag = 16 dE(Ry) = 0.184575490555236 residual = 1.512586180185419
1141 … ik = 39 is = 1 idiag = 17 dE(Ry) = 0.042187362417981 residual = 0.283378226663883
1142 … ik = 39 is = 1 idiag = 18 dE(Ry) = 0.001408203889929 residual = 0.055489574802732
1143 … ik = 39 is = 1 idiag = 19 dE(Ry) = 0.000051719945354 residual = 0.009442180850515
1144 … ik = 39 is = 1 idiag = 20 dE(Ry) = 0.000001309058668 residual = 0.001273390982094
1145 … ik = 39 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.001273390309232
1146 … ik = 39 is = 1 idiag = 22 dE(Ry) = 0.000000019122323 residual = 0.000185969819908
1147 … ik = 39 is = 1 idiag = 23 dE(Ry) = 0.000000000600925 residual = 0.000035341710486
1148 … ik = 39 is = 1 idiag = 24 dE(Ry) = 0.000000000022872 residual = 0.000010065404584
1149 … ik = 39 is = 1 idiag = 25 dE(Ry) = 0.000000000001845 residual = 0.000002585680594
1150 … ik = 39 is = 1 idiag = 26 dE(Ry) = 0.000000000000108 residual = 0.000000546036861
1151 … ik = 39 is = 1 idiag = 27 dE(Ry) = 0.000000000000023 residual = 0.000000209387098
1152 … ik = 39 is = 1 idiag = 28 dE(Ry) = 0.000000000000015 residual = 0.000000094807757
1153 … ik = 40 is = 1 idiag = 1 dE(Ry) = 240.704269472668472 residual = 262.190154075257226
1154 … ik = 40 is = 1 idiag = 2 dE(Ry) = 53.797498729428668 residual = 70.860603504499480
1155 … ik = 40 is = 1 idiag = 3 dE(Ry) = 71.569009059258548 residual = 83.309387429271581
1156 … ik = 40 is = 1 idiag = 4 dE(Ry) = 48.005960960380904 residual = 55.487225902929822
1157 … ik = 40 is = 1 idiag = 5 dE(Ry) = 30.780545747894230 residual = 35.524451964716498
1158 … ik = 40 is = 1 idiag = 6 dE(Ry) = 18.574391159433262 residual = 21.259459857333894
1159 … ik = 40 is = 1 idiag = 7 dE(Ry) = 10.568280505754657 residual = 12.279687307692432
1160 … ik = 40 is = 1 idiag = 8 dE(Ry) = 5.931884525295597 residual = 8.310649165481895
1161 … ik = 40 is = 1 idiag = 9 dE(Ry) = 5.953807320960760 residual = 8.701538089443963
1162 … ik = 40 is = 1 idiag = 10 dE(Ry) = 3.797040076152593 residual = 5.631235528549277
1163 … ik = 40 is = 1 idiag = 11 dE(Ry) = 3.198267241140385 residual = 5.124859956286822
1164 … ik = 40 is = 1 idiag = 12 dE(Ry) = 1.609437227201990 residual = 2.179662219682033
1165 … ik = 40 is = 1 idiag = 13 dE(Ry) = 0.269865169743016 residual = 2.562232513418974
1166 … ik = 40 is = 1 idiag = 14 dE(Ry) = 0.588079793153781 residual = 3.960376678042051
1167 … ik = 40 is = 1 idiag = 15 dE(Ry) = 0.391093930090489 residual = 3.456246911141288
1168 … ik = 40 is = 1 idiag = 16 dE(Ry) = 0.498796224082353 residual = 1.532570041369778
1169 … ik = 40 is = 1 idiag = 17 dE(Ry) = 0.022139207594117 residual = 0.329806845570345
1170 … ik = 40 is = 1 idiag = 18 dE(Ry) = 0.001766755860436 residual = 0.067131702930939
1171 … ik = 40 is = 1 idiag = 19 dE(Ry) = 0.000070929173017 residual = 0.011971266405624
1172 … ik = 40 is = 1 idiag = 20 dE(Ry) = 0.000001848563460 residual = 0.001372411298580
1173 … ik = 40 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.001372410053622
1174 … ik = 40 is = 1 idiag = 22 dE(Ry) = 0.000000022358752 residual = 0.000191927450841
1175 … ik = 40 is = 1 idiag = 23 dE(Ry) = 0.000000000611181 residual = 0.000037070529768
1176 … ik = 40 is = 1 idiag = 24 dE(Ry) = 0.000000000023925 residual = 0.000009274241566
1177 … ik = 40 is = 1 idiag = 25 dE(Ry) = 0.000000000001641 residual = 0.000002487947538
1178 … ik = 40 is = 1 idiag = 26 dE(Ry) = 0.000000000000128 residual = 0.000000820433938
1179 … ik = 40 is = 1 idiag = 27 dE(Ry) = 0.000000000000019 residual = 0.000000383661740
1180 … ik = 40 is = 1 idiag = 28 dE(Ry) = 0.000000000000025 residual = 0.000000123410237
1181 … ik = 40 is = 1 idiag = 29 dE(Ry) = 0.000000000000020 residual = 0.000000032253051
1182 … ik = 41 is = 1 idiag = 1 dE(Ry) = 240.902993337214241 residual = 262.442349905979597
1183 … ik = 41 is = 1 idiag = 2 dE(Ry) = 53.525394988269085 residual = 70.647901542599200
1184 … ik = 41 is = 1 idiag = 3 dE(Ry) = 72.022324632444878 residual = 83.724374350400268
1185 … ik = 41 is = 1 idiag = 4 dE(Ry) = 47.986370537031888 residual = 55.618011789059423
1186 … ik = 41 is = 1 idiag = 5 dE(Ry) = 30.617174006216331 residual = 35.339287556455169
1187 … ik = 41 is = 1 idiag = 6 dE(Ry) = 18.311105502289692 residual = 21.112741928084347
1188 … ik = 41 is = 1 idiag = 7 dE(Ry) = 10.499486553807694 residual = 12.287175395271701
1189 … ik = 41 is = 1 idiag = 8 dE(Ry) = 6.233309867386274 residual = 8.877364635720044
1190 … ik = 41 is = 1 idiag = 9 dE(Ry) = 6.301749510409186 residual = 9.076546724607647
1191 … ik = 41 is = 1 idiag = 10 dE(Ry) = 3.111941609842432 residual = 4.944362616360207
1192 … ik = 41 is = 1 idiag = 11 dE(Ry) = 3.260629612233592 residual = 5.066437455356391
1193 … ik = 41 is = 1 idiag = 12 dE(Ry) = 1.173585037967979 residual = 1.793870026723365
1194 … ik = 41 is = 1 idiag = 13 dE(Ry) = 0.315505152410498 residual = 2.868608490715066
1195 … ik = 41 is = 1 idiag = 14 dE(Ry) = 0.608886559811333 residual = 3.361381452160858
1196 … ik = 41 is = 1 idiag = 15 dE(Ry) = 0.381592427981988 residual = 3.383672682983201
1197 … ik = 41 is = 1 idiag = 16 dE(Ry) = 0.542011651463280 residual = 1.014657500693348
1198 … ik = 41 is = 1 idiag = 17 dE(Ry) = 0.014269224776774 residual = 0.254618678978779
1199 … ik = 41 is = 1 idiag = 18 dE(Ry) = 0.001090564619433 residual = 0.047133646113394
1200 … ik = 41 is = 1 idiag = 19 dE(Ry) = 0.000029670959302 residual = 0.006262658272343
1201 … ik = 41 is = 1 idiag = 20 dE(Ry) = 0.000000532945172 residual = 0.000841106869862
1202 … ik = 41 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.000841106701019
1203 … ik = 41 is = 1 idiag = 22 dE(Ry) = 0.000000008275647 residual = 0.000124306743686
1204 … ik = 41 is = 1 idiag = 23 dE(Ry) = 0.000000000268411 residual = 0.000024241763833
1205 … ik = 41 is = 1 idiag = 24 dE(Ry) = 0.000000000011188 residual = 0.000007509789149
1206 … ik = 41 is = 1 idiag = 25 dE(Ry) = 0.000000000000936 residual = 0.000001673214683
1207 … ik = 41 is = 1 idiag = 26 dE(Ry) = 0.000000000000059 residual = 0.000000336037497
1208 … ik = 41 is = 1 idiag = 27 dE(Ry) = 0.000000000000015 residual = 0.000000137346443
1209 … ik = 41 is = 1 idiag = 28 dE(Ry) = 0.000000000000025 residual = 0.000000086508780
1210 … ik = 42 is = 1 idiag = 1 dE(Ry) = 240.584058752931469 residual = 262.125742261971936
1211 … ik = 42 is = 1 idiag = 2 dE(Ry) = 53.593524105259945 residual = 70.766737776037445
1212 … ik = 42 is = 1 idiag = 3 dE(Ry) = 71.751275231018724 residual = 83.545252373561851
1213 … ik = 42 is = 1 idiag = 4 dE(Ry) = 47.975540758164030 residual = 55.494041875651838
1214 … ik = 42 is = 1 idiag = 5 dE(Ry) = 30.276997196218375 residual = 34.964846920858122
1215 … ik = 42 is = 1 idiag = 6 dE(Ry) = 18.487300222343215 residual = 21.181045101266456
1216 … ik = 42 is = 1 idiag = 7 dE(Ry) = 10.458392755945987 residual = 12.220869708397187
1217 … ik = 42 is = 1 idiag = 8 dE(Ry) = 6.024300387110330 residual = 8.189237303050872
1218 … ik = 42 is = 1 idiag = 9 dE(Ry) = 5.966672571009760 residual = 8.703462448138822
1219 … ik = 42 is = 1 idiag = 10 dE(Ry) = 3.583404198339779 residual = 5.067301392966296
1220 … ik = 42 is = 1 idiag = 11 dE(Ry) = 3.384935463639534 residual = 5.099035079693424
1221 … ik = 42 is = 1 idiag = 12 dE(Ry) = 1.184020837435547 residual = 1.775491136982321
1222 … ik = 42 is = 1 idiag = 13 dE(Ry) = 0.347177626847210 residual = 2.792886664284445
1223 … ik = 42 is = 1 idiag = 14 dE(Ry) = 0.594103242736825 residual = 3.666208432339166
1224 … ik = 42 is = 1 idiag = 15 dE(Ry) = 0.500695777293151 residual = 2.893797655968937
1225 … ik = 42 is = 1 idiag = 16 dE(Ry) = 0.467987411471821 residual = 0.740586859619163
1226 … ik = 42 is = 1 idiag = 17 dE(Ry) = 0.011021471610516 residual = 0.141944904713120
1227 … ik = 42 is = 1 idiag = 18 dE(Ry) = 0.000342120939781 residual = 0.028434636679268
1228 … ik = 42 is = 1 idiag = 19 dE(Ry) = 0.000014840363879 residual = 0.005455575274904
1229 … ik = 42 is = 1 idiag = 20 dE(Ry) = 0.000000439764737 residual = 0.000698125733015
1230 … ik = 42 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.000698125594506
1231 … ik = 42 is = 1 idiag = 22 dE(Ry) = 0.000000006108640 residual = 0.000101697310102
1232 … ik = 42 is = 1 idiag = 23 dE(Ry) = 0.000000000175776 residual = 0.000020094334376
1233 … ik = 42 is = 1 idiag = 24 dE(Ry) = 0.000000000008030 residual = 0.000005492047492
1234 … ik = 42 is = 1 idiag = 25 dE(Ry) = 0.000000000000587 residual = 0.000001361244010
1235 … ik = 42 is = 1 idiag = 26 dE(Ry) = 0.000000000000025 residual = 0.000000382283851
1236 … ik = 42 is = 1 idiag = 27 dE(Ry) = 0.000000000000022 residual = 0.000000180320585
1237 … ik = 42 is = 1 idiag = 28 dE(Ry) = 0.000000000000013 residual = 0.000000068817359
1238 … ik = 43 is = 1 idiag = 1 dE(Ry) = 241.210837957567975 residual = 262.621754976065347
1239 … ik = 43 is = 1 idiag = 2 dE(Ry) = 53.880527533877341 residual = 70.892733318518367
1240 … ik = 43 is = 1 idiag = 3 dE(Ry) = 71.723835150853688 residual = 83.560825179557767
1241 … ik = 43 is = 1 idiag = 4 dE(Ry) = 47.860850773119452 residual = 55.682795544073628
1242 … ik = 43 is = 1 idiag = 5 dE(Ry) = 30.641409902014530 residual = 35.352407825179576
1243 … ik = 43 is = 1 idiag = 6 dE(Ry) = 18.266399069425564 residual = 21.150266547938294
1244 … ik = 43 is = 1 idiag = 7 dE(Ry) = 10.663415729046296 residual = 12.388280343444201
1245 … ik = 43 is = 1 idiag = 8 dE(Ry) = 5.931560928186343 residual = 8.712901094336795
1246 … ik = 43 is = 1 idiag = 9 dE(Ry) = 6.214344963876497 residual = 8.827084023500236
1247 … ik = 43 is = 1 idiag = 10 dE(Ry) = 3.142830099908067 residual = 5.043925578558250
1248 … ik = 43 is = 1 idiag = 11 dE(Ry) = 3.295206779075692 residual = 5.115274939756409
1249 … ik = 43 is = 1 idiag = 12 dE(Ry) = 1.217722608858401 residual = 1.821618942845849
1250 … ik = 43 is = 1 idiag = 13 dE(Ry) = 0.269272828576077 residual = 2.770603857884142
1251 … ik = 43 is = 1 idiag = 14 dE(Ry) = 0.558689027506443 residual = 3.042017625458093
1252 … ik = 43 is = 1 idiag = 15 dE(Ry) = 0.513774753798983 residual = 3.775552960918523
1253 … ik = 43 is = 1 idiag = 16 dE(Ry) = 0.232758649412378 residual = 0.723647915800064
1254 … ik = 43 is = 1 idiag = 17 dE(Ry) = 0.007458160580090 residual = 0.148315279572355
1255 … ik = 43 is = 1 idiag = 18 dE(Ry) = 0.000423995018025 residual = 0.028581435193176
1256 … ik = 43 is = 1 idiag = 19 dE(Ry) = 0.000013659581730 residual = 0.005360316615700
1257 … ik = 43 is = 1 idiag = 20 dE(Ry) = 0.000000365082842 residual = 0.000607724546807
1258 … ik = 43 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.000607724437148
1259 … ik = 43 is = 1 idiag = 22 dE(Ry) = 0.000000004362858 residual = 0.000091923741472
1260 … ik = 43 is = 1 idiag = 23 dE(Ry) = 0.000000000138062 residual = 0.000016473181112
1261 … ik = 43 is = 1 idiag = 24 dE(Ry) = 0.000000000004932 residual = 0.000004501831119
1262 … ik = 43 is = 1 idiag = 25 dE(Ry) = 0.000000000000386 residual = 0.000001174840285
1263 … ik = 43 is = 1 idiag = 26 dE(Ry) = 0.000000000000026 residual = 0.000000331605872
1264 … ik = 43 is = 1 idiag = 27 dE(Ry) = 0.000000000000017 residual = 0.000000156039904
1265 … ik = 43 is = 1 idiag = 28 dE(Ry) = 0.000000000000017 residual = 0.000000059374338
1266 … ik = 44 is = 1 idiag = 1 dE(Ry) = 241.445952582115098 residual = 263.064921268048863
1267 … ik = 44 is = 1 idiag = 2 dE(Ry) = 53.802712586940430 residual = 70.802057503134236
1268 … ik = 44 is = 1 idiag = 3 dE(Ry) = 71.489935890871095 residual = 83.247670687419529
1269 … ik = 44 is = 1 idiag = 4 dE(Ry) = 48.081469905263617 residual = 55.784890907856237
1270 … ik = 44 is = 1 idiag = 5 dE(Ry) = 30.665044963962757 residual = 35.244507849215388
1271 … ik = 44 is = 1 idiag = 6 dE(Ry) = 18.351638957653428 residual = 21.163992285878720
1272 … ik = 44 is = 1 idiag = 7 dE(Ry) = 10.562379189756486 residual = 12.267466222341827
1273 … ik = 44 is = 1 idiag = 8 dE(Ry) = 6.141802180731535 residual = 8.939115458698453
1274 … ik = 44 is = 1 idiag = 9 dE(Ry) = 6.478465482229428 residual = 9.145411352074957
1275 … ik = 44 is = 1 idiag = 10 dE(Ry) = 3.182419128923313 residual = 4.925455264429947
1276 … ik = 44 is = 1 idiag = 11 dE(Ry) = 3.247817898015133 residual = 5.196091268153087
1277 … ik = 44 is = 1 idiag = 12 dE(Ry) = 1.387642451053356 residual = 2.087945481308248
1278 … ik = 44 is = 1 idiag = 13 dE(Ry) = 0.254385807362002 residual = 2.588873550570204
1279 … ik = 44 is = 1 idiag = 14 dE(Ry) = 0.536630637223301 residual = 3.572346532397011
1280 … ik = 44 is = 1 idiag = 15 dE(Ry) = 0.435097649443981 residual = 3.680878231234801
1281 … ik = 44 is = 1 idiag = 16 dE(Ry) = 0.239518782396436 residual = 0.738452270382123
1282 … ik = 44 is = 1 idiag = 17 dE(Ry) = 0.010374941926532 residual = 0.138806783466104
1283 … ik = 44 is = 1 idiag = 18 dE(Ry) = 0.000312163909102 residual = 0.025010242866321
1284 … ik = 44 is = 1 idiag = 19 dE(Ry) = 0.000009809505214 residual = 0.003833708636930
1285 … ik = 44 is = 1 idiag = 20 dE(Ry) = 0.000000197407865 residual = 0.000475503768784
1286 … ik = 44 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.000475503727806
1287 … ik = 44 is = 1 idiag = 22 dE(Ry) = 0.000000002598492 residual = 0.000065847332666
1288 … ik = 44 is = 1 idiag = 23 dE(Ry) = 0.000000000072041 residual = 0.000012767978170
1289 … ik = 44 is = 1 idiag = 24 dE(Ry) = 0.000000000002930 residual = 0.000003397379921
1290 … ik = 44 is = 1 idiag = 25 dE(Ry) = 0.000000000000213 residual = 0.000000910528014
1291 … ik = 44 is = 1 idiag = 26 dE(Ry) = 0.000000000000027 residual = 0.000000240683110
1292 … ik = 44 is = 1 idiag = 27 dE(Ry) = 0.000000000000018 residual = 0.000000108870685
1293 … ik = 44 is = 1 idiag = 28 dE(Ry) = 0.000000000000014 residual = 0.000000061501459
1294 … ik = 45 is = 1 idiag = 1 dE(Ry) = 241.278707072170334 residual = 262.653713048016073
1295 … ik = 45 is = 1 idiag = 2 dE(Ry) = 53.761851023723409 residual = 70.749184338533283
1296 … ik = 45 is = 1 idiag = 3 dE(Ry) = 71.640544217494522 residual = 83.410213781710070
1297 … ik = 45 is = 1 idiag = 4 dE(Ry) = 47.922066933353562 residual = 55.588826421751094
1298 … ik = 45 is = 1 idiag = 5 dE(Ry) = 30.786242536758664 residual = 35.430450777927938
1299 … ik = 45 is = 1 idiag = 6 dE(Ry) = 18.394711310817179 residual = 21.288870272572655
1300 … ik = 45 is = 1 idiag = 7 dE(Ry) = 10.618000094224646 residual = 12.409145890242922
1301 … ik = 45 is = 1 idiag = 8 dE(Ry) = 6.079149905718417 residual = 9.001188095897012
1302 … ik = 45 is = 1 idiag = 9 dE(Ry) = 6.357887849885174 residual = 8.898266121390945
1303 … ik = 45 is = 1 idiag = 10 dE(Ry) = 3.412112078548821 residual = 5.064581027537562
1304 … ik = 45 is = 1 idiag = 11 dE(Ry) = 3.240687252776910 residual = 5.003839507475552
1305 … ik = 45 is = 1 idiag = 12 dE(Ry) = 1.209343295479880 residual = 1.789498475901037
1306 … ik = 45 is = 1 idiag = 13 dE(Ry) = 0.285378967634451 residual = 2.940175743297921
1307 … ik = 45 is = 1 idiag = 14 dE(Ry) = 0.536432193303084 residual = 3.407166551974913
1308 … ik = 45 is = 1 idiag = 15 dE(Ry) = 0.462075809603835 residual = 1.835561179163666
1309 … ik = 45 is = 1 idiag = 16 dE(Ry) = 0.302859585901071 residual = 1.402265600422478
1310 … ik = 45 is = 1 idiag = 17 dE(Ry) = 0.038183373587076 residual = 0.336818430914864
1311 … ik = 45 is = 1 idiag = 18 dE(Ry) = 0.002081305088274 residual = 0.066626621186226
1312 … ik = 45 is = 1 idiag = 19 dE(Ry) = 0.000068681892782 residual = 0.010583825911286
1313 … ik = 45 is = 1 idiag = 20 dE(Ry) = 0.000001584541585 residual = 0.001385865909793
1314 … ik = 45 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.001385865003941
1315 … ik = 45 is = 1 idiag = 22 dE(Ry) = 0.000000022249270 residual = 0.000207835648483
1316 … ik = 45 is = 1 idiag = 23 dE(Ry) = 0.000000000667067 residual = 0.000038561164756
1317 … ik = 45 is = 1 idiag = 24 dE(Ry) = 0.000000000027067 residual = 0.000010375034063
1318 … ik = 45 is = 1 idiag = 25 dE(Ry) = 0.000000000002013 residual = 0.000002597722010
1319 … ik = 45 is = 1 idiag = 26 dE(Ry) = 0.000000000000131 residual = 0.000000694094503
1320 … ik = 45 is = 1 idiag = 27 dE(Ry) = 0.000000000000026 residual = 0.000000343299751
1321 … ik = 45 is = 1 idiag = 28 dE(Ry) = 0.000000000000018 residual = 0.000000134620643
1322 … ik = 45 is = 1 idiag = 29 dE(Ry) = 0.000000000000012 residual = 0.000000068705972
1323 … ik = 46 is = 1 idiag = 1 dE(Ry) = 240.671226569550811 residual = 262.256305675614215
1324 … ik = 46 is = 1 idiag = 2 dE(Ry) = 53.750757058024220 residual = 70.882414415788162
1325 … ik = 46 is = 1 idiag = 3 dE(Ry) = 71.753354093652632 residual = 83.464257610741612
1326 … ik = 46 is = 1 idiag = 4 dE(Ry) = 47.963606788281155 residual = 55.440519861746360
1327 … ik = 46 is = 1 idiag = 5 dE(Ry) = 30.348160762362326 residual = 35.146192895601367
1328 … ik = 46 is = 1 idiag = 6 dE(Ry) = 18.426545167087284 residual = 21.272530000862286
1329 … ik = 46 is = 1 idiag = 7 dE(Ry) = 10.536112749527351 residual = 12.301958956814612
1330 … ik = 46 is = 1 idiag = 8 dE(Ry) = 5.884543492523676 residual = 8.391744968332747
1331 … ik = 46 is = 1 idiag = 9 dE(Ry) = 6.422756065364732 residual = 9.067802470973733
1332 … ik = 46 is = 1 idiag = 10 dE(Ry) = 3.218412691548657 residual = 5.117978812942054
1333 … ik = 46 is = 1 idiag = 11 dE(Ry) = 3.202943974696929 residual = 5.020862835964355
1334 … ik = 46 is = 1 idiag = 12 dE(Ry) = 1.193708934780354 residual = 1.817335444688308
1335 … ik = 46 is = 1 idiag = 13 dE(Ry) = 0.238161142460018 residual = 2.894454324309227
1336 … ik = 46 is = 1 idiag = 14 dE(Ry) = 0.612672850807950 residual = 3.414885121658625
1337 … ik = 46 is = 1 idiag = 15 dE(Ry) = 0.497374752829857 residual = 3.417177120575479
1338 … ik = 46 is = 1 idiag = 16 dE(Ry) = 0.198706945566306 residual = 0.531291638282292
1339 … ik = 46 is = 1 idiag = 17 dE(Ry) = 0.006286686817812 residual = 0.127135619972069
1340 … ik = 46 is = 1 idiag = 18 dE(Ry) = 0.000279402529080 residual = 0.026387191552099
1341 … ik = 46 is = 1 idiag = 19 dE(Ry) = 0.000010942051224 residual = 0.004212529074987
1342 … ik = 46 is = 1 idiag = 20 dE(Ry) = 0.000000241432341 residual = 0.000510468570891
1343 … ik = 46 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.000510468513797
1344 … ik = 46 is = 1 idiag = 22 dE(Ry) = 0.000000003299425 residual = 0.000074966817321
1345 … ik = 46 is = 1 idiag = 23 dE(Ry) = 0.000000000100241 residual = 0.000014159523897
1346 … ik = 46 is = 1 idiag = 24 dE(Ry) = 0.000000000003607 residual = 0.000003672645358
1347 … ik = 46 is = 1 idiag = 25 dE(Ry) = 0.000000000000285 residual = 0.000001058631527
1348 … ik = 46 is = 1 idiag = 26 dE(Ry) = 0.000000000000028 residual = 0.000000331462741
1349 … ik = 46 is = 1 idiag = 27 dE(Ry) = 0.000000000000023 residual = 0.000000166220708
1350 … ik = 46 is = 1 idiag = 28 dE(Ry) = 0.000000000000020 residual = 0.000000063178317
1351 … ik = 47 is = 1 idiag = 1 dE(Ry) = 240.841100970086273 residual = 262.268050361331689
1352 … ik = 47 is = 1 idiag = 2 dE(Ry) = 53.731768041010639 residual = 70.726257838437547
1353 … ik = 47 is = 1 idiag = 3 dE(Ry) = 72.065655269269172 residual = 84.077183433125015
1354 … ik = 47 is = 1 idiag = 4 dE(Ry) = 47.747456175753697 residual = 55.229107866112386
1355 … ik = 47 is = 1 idiag = 5 dE(Ry) = 30.337302838066719 residual = 34.962462035910889
1356 … ik = 47 is = 1 idiag = 6 dE(Ry) = 18.320895416386183 residual = 21.008325023458539
1357 … ik = 47 is = 1 idiag = 7 dE(Ry) = 10.630471647492392 residual = 12.416743465864950
1358 … ik = 47 is = 1 idiag = 8 dE(Ry) = 5.804872300177184 residual = 7.692800620669106
1359 … ik = 47 is = 1 idiag = 9 dE(Ry) = 5.884172430216873 residual = 8.797053938796076
1360 … ik = 47 is = 1 idiag = 10 dE(Ry) = 4.271830193170456 residual = 6.040320065518766
1361 … ik = 47 is = 1 idiag = 11 dE(Ry) = 3.321022410494759 residual = 5.073367421506864
1362 … ik = 47 is = 1 idiag = 12 dE(Ry) = 1.204790592103379 residual = 1.816470736374682
1363 … ik = 47 is = 1 idiag = 13 dE(Ry) = 0.317471791681458 residual = 2.732766100301095
1364 … ik = 47 is = 1 idiag = 14 dE(Ry) = 0.582222874221766 residual = 3.790032525725291
1365 … ik = 47 is = 1 idiag = 15 dE(Ry) = 0.478107685449245 residual = 4.509029776230475
1366 … ik = 47 is = 1 idiag = 16 dE(Ry) = 0.464904445064784 residual = 0.641994850860966
1367 … ik = 47 is = 1 idiag = 17 dE(Ry) = 0.009031269640701 residual = 0.155584678090302
1368 … ik = 47 is = 1 idiag = 18 dE(Ry) = 0.000457506469414 residual = 0.030703054912334
1369 … ik = 47 is = 1 idiag = 19 dE(Ry) = 0.000011064390205 residual = 0.004890836894830
1370 … ik = 47 is = 1 idiag = 20 dE(Ry) = 0.000000299707171 residual = 0.000657848204573
1371 … ik = 47 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.000657848136301
1372 … ik = 47 is = 1 idiag = 22 dE(Ry) = 0.000000004820547 residual = 0.000099544684594
1373 … ik = 47 is = 1 idiag = 23 dE(Ry) = 0.000000000162372 residual = 0.000018850848186
1374 … ik = 47 is = 1 idiag = 24 dE(Ry) = 0.000000000005818 residual = 0.000004780780564
1375 … ik = 47 is = 1 idiag = 25 dE(Ry) = 0.000000000000452 residual = 0.000001307028010
1376 … ik = 47 is = 1 idiag = 26 dE(Ry) = 0.000000000000036 residual = 0.000000269803424
1377 … ik = 47 is = 1 idiag = 27 dE(Ry) = 0.000000000000017 residual = 0.000000100292823
1378 … ik = 47 is = 1 idiag = 28 dE(Ry) = 0.000000000000013 residual = 0.000000053841127
1379 … ik = 48 is = 1 idiag = 1 dE(Ry) = 241.178780385746336 residual = 262.702939516895128
1380 … ik = 48 is = 1 idiag = 2 dE(Ry) = 53.862287758038207 residual = 70.915062776117381
1381 … ik = 48 is = 1 idiag = 3 dE(Ry) = 72.051409615920392 residual = 83.801102709790399
1382 … ik = 48 is = 1 idiag = 4 dE(Ry) = 47.825960272131667 residual = 55.349044305507036
1383 … ik = 48 is = 1 idiag = 5 dE(Ry) = 30.512025028883343 residual = 35.101331788250363
1384 … ik = 48 is = 1 idiag = 6 dE(Ry) = 18.347455616065332 residual = 21.165299304927604
1385 … ik = 48 is = 1 idiag = 7 dE(Ry) = 10.421950594081618 residual = 12.140841289594263
1386 … ik = 48 is = 1 idiag = 8 dE(Ry) = 5.975830949231238 residual = 7.967923602717348
1387 … ik = 48 is = 1 idiag = 9 dE(Ry) = 5.849139139894891 residual = 8.684665125022626
1388 … ik = 48 is = 1 idiag = 10 dE(Ry) = 3.790929552219337 residual = 5.491806549806576
1389 … ik = 48 is = 1 idiag = 11 dE(Ry) = 3.305665114829971 residual = 5.076150213444900
1390 … ik = 48 is = 1 idiag = 12 dE(Ry) = 1.063156144631426 residual = 1.703156048331696
1391 … ik = 48 is = 1 idiag = 13 dE(Ry) = 0.272887748665813 residual = 2.773025814303749
1392 … ik = 48 is = 1 idiag = 14 dE(Ry) = 0.536126259326001 residual = 3.632297952410157
1393 … ik = 48 is = 1 idiag = 15 dE(Ry) = 0.463506475308559 residual = 4.101140886485257
1394 … ik = 48 is = 1 idiag = 16 dE(Ry) = 0.408598047414387 residual = 0.705250241121511
1395 … ik = 48 is = 1 idiag = 17 dE(Ry) = 0.016647860267979 residual = 0.201932511159108
1396 … ik = 48 is = 1 idiag = 18 dE(Ry) = 0.000683523010573 residual = 0.034985984607646
1397 … ik = 48 is = 1 idiag = 19 dE(Ry) = 0.000020749219046 residual = 0.006340689659649
1398 … ik = 48 is = 1 idiag = 20 dE(Ry) = 0.000000618561866 residual = 0.000875440705980
1399 … ik = 48 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.000875440487450
1400 … ik = 48 is = 1 idiag = 22 dE(Ry) = 0.000000009922004 residual = 0.000134362324365
1401 … ik = 48 is = 1 idiag = 23 dE(Ry) = 0.000000000341439 residual = 0.000028274955946
1402 … ik = 48 is = 1 idiag = 24 dE(Ry) = 0.000000000014809 residual = 0.000007997693272
1403 … ik = 48 is = 1 idiag = 25 dE(Ry) = 0.000000000001208 residual = 0.000002015135933
1404 … ik = 48 is = 1 idiag = 26 dE(Ry) = 0.000000000000083 residual = 0.000000577292289
1405 … ik = 48 is = 1 idiag = 27 dE(Ry) = 0.000000000000016 residual = 0.000000268859463
1406 … ik = 48 is = 1 idiag = 28 dE(Ry) = 0.000000000000015 residual = 0.000000095920613
1407 … ik = 49 is = 1 idiag = 1 dE(Ry) = 240.593141019341317 residual = 261.877845980668894
1408 … ik = 49 is = 1 idiag = 2 dE(Ry) = 53.717220255491043 residual = 70.684547058276237
1409 … ik = 49 is = 1 idiag = 3 dE(Ry) = 72.068456845519762 residual = 83.821811198598681
1410 … ik = 49 is = 1 idiag = 4 dE(Ry) = 47.921048329757667 residual = 55.387469034021656
1411 … ik = 49 is = 1 idiag = 5 dE(Ry) = 30.435521358509249 residual = 35.141191568237033
1412 … ik = 49 is = 1 idiag = 6 dE(Ry) = 18.509335652192000 residual = 21.367676915665630
1413 … ik = 49 is = 1 idiag = 7 dE(Ry) = 10.468584524028076 residual = 12.264275886464107
1414 … ik = 49 is = 1 idiag = 8 dE(Ry) = 5.883331010162578 residual = 7.707986801474495
1415 … ik = 49 is = 1 idiag = 9 dE(Ry) = 5.628657436778306 residual = 8.512025115379517
1416 … ik = 49 is = 1 idiag = 10 dE(Ry) = 3.737152532852097 residual = 5.608527550410842
1417 … ik = 49 is = 1 idiag = 11 dE(Ry) = 3.269861133167952 residual = 5.006644899631578
1418 … ik = 49 is = 1 idiag = 12 dE(Ry) = 1.245321025622402 residual = 1.804090173460059
1419 … ik = 49 is = 1 idiag = 13 dE(Ry) = 0.308441622940987 residual = 2.603144712430291
1420 … ik = 49 is = 1 idiag = 14 dE(Ry) = 0.689119315584855 residual = 3.967635431275649
1421 … ik = 49 is = 1 idiag = 15 dE(Ry) = 0.549493224734519 residual = 4.186738223399738
1422 … ik = 49 is = 1 idiag = 16 dE(Ry) = 0.393600146031072 residual = 0.574169007658309
1423 … ik = 49 is = 1 idiag = 17 dE(Ry) = 0.003677820522922 residual = 0.091759939248707
1424 … ik = 49 is = 1 idiag = 18 dE(Ry) = 0.000163506868448 residual = 0.018023297611684
1425 … ik = 49 is = 1 idiag = 19 dE(Ry) = 0.000005308274412 residual = 0.002748386888931
1426 … ik = 49 is = 1 idiag = 20 dE(Ry) = 0.000000096605951 residual = 0.000315942319500
1427 … ik = 49 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.000315942304730
1428 … ik = 49 is = 1 idiag = 22 dE(Ry) = 0.000000001206029 residual = 0.000049318449997
1429 … ik = 49 is = 1 idiag = 23 dE(Ry) = 0.000000000038321 residual = 0.000008264855897
1430 … ik = 49 is = 1 idiag = 24 dE(Ry) = 0.000000000001174 residual = 0.000002025689107
1431 … ik = 49 is = 1 idiag = 25 dE(Ry) = 0.000000000000086 residual = 0.000000566057134
1432 … ik = 49 is = 1 idiag = 26 dE(Ry) = 0.000000000000023 residual = 0.000000184249521
1433 … ik = 49 is = 1 idiag = 27 dE(Ry) = 0.000000000000023 residual = 0.000000085625843
1434 … ik = 50 is = 1 idiag = 1 dE(Ry) = 240.801669800468545 residual = 262.361891901598653
1435 … ik = 50 is = 1 idiag = 2 dE(Ry) = 53.594579398926072 residual = 70.516279117723542
1436 … ik = 50 is = 1 idiag = 3 dE(Ry) = 71.517503154356518 residual = 83.438418517872151
1437 … ik = 50 is = 1 idiag = 4 dE(Ry) = 48.291105292062525 residual = 55.804666014428371
1438 … ik = 50 is = 1 idiag = 5 dE(Ry) = 30.290460595839434 residual = 34.918817027872741
1439 … ik = 50 is = 1 idiag = 6 dE(Ry) = 18.595448820510576 residual = 21.468512793935833
1440 … ik = 50 is = 1 idiag = 7 dE(Ry) = 10.704883747240130 residual = 12.317575536310597
1441 … ik = 50 is = 1 idiag = 8 dE(Ry) = 5.671136837242205 residual = 7.938197448807605
1442 … ik = 50 is = 1 idiag = 9 dE(Ry) = 6.023439732389479 residual = 8.803896213815717
1443 … ik = 50 is = 1 idiag = 10 dE(Ry) = 3.651297598694676 residual = 5.316819301720289
1444 … ik = 50 is = 1 idiag = 11 dE(Ry) = 3.286476931359774 residual = 5.063489638564672
1445 … ik = 50 is = 1 idiag = 12 dE(Ry) = 1.061679274214671 residual = 1.626568274995703
1446 … ik = 50 is = 1 idiag = 13 dE(Ry) = 0.397102090251175 residual = 2.813893576047438
1447 … ik = 50 is = 1 idiag = 14 dE(Ry) = 0.628185638087736 residual = 3.769760175038897
1448 … ik = 50 is = 1 idiag = 15 dE(Ry) = 0.594258087073561 residual = 4.704891569029342
1449 … ik = 50 is = 1 idiag = 16 dE(Ry) = 0.501880348822809 residual = 0.860942492487590
1450 … ik = 50 is = 1 idiag = 17 dE(Ry) = 0.011936634459758 residual = 0.179781236254571
1451 … ik = 50 is = 1 idiag = 18 dE(Ry) = 0.000592083906219 residual = 0.036164009329615
1452 … ik = 50 is = 1 idiag = 19 dE(Ry) = 0.000019617879811 residual = 0.004863331229806
1453 … ik = 50 is = 1 idiag = 20 dE(Ry) = 0.000000325306711 residual = 0.000599901835760
1454 … ik = 50 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.000599901747559
1455 … ik = 50 is = 1 idiag = 22 dE(Ry) = 0.000000004336659 residual = 0.000097323915438
1456 … ik = 50 is = 1 idiag = 23 dE(Ry) = 0.000000000153977 residual = 0.000016566942192
1457 … ik = 50 is = 1 idiag = 24 dE(Ry) = 0.000000000004647 residual = 0.000004430630917
1458 … ik = 50 is = 1 idiag = 25 dE(Ry) = 0.000000000000350 residual = 0.000001071216583
1459 … ik = 50 is = 1 idiag = 26 dE(Ry) = 0.000000000000023 residual = 0.000000299015538
1460 … ik = 50 is = 1 idiag = 27 dE(Ry) = 0.000000000000017 residual = 0.000000167067749
1461 … ik = 50 is = 1 idiag = 28 dE(Ry) = 0.000000000000018 residual = 0.000000067158856
1462 … ik = 51 is = 1 idiag = 1 dE(Ry) = 240.465264955736387 residual = 261.885127165448637
1463 … ik = 51 is = 1 idiag = 2 dE(Ry) = 53.786809054060285 residual = 70.782800893252400
1464 … ik = 51 is = 1 idiag = 3 dE(Ry) = 71.497665350712793 residual = 83.318059731267212
1465 … ik = 51 is = 1 idiag = 4 dE(Ry) = 48.175283546641040 residual = 55.829139530975638
1466 … ik = 51 is = 1 idiag = 5 dE(Ry) = 30.553226968997933 residual = 35.161101840549904
1467 … ik = 51 is = 1 idiag = 6 dE(Ry) = 18.245218032576716 residual = 21.008217727614440
1468 … ik = 51 is = 1 idiag = 7 dE(Ry) = 10.396484780028915 residual = 12.118679079330361
1469 … ik = 51 is = 1 idiag = 8 dE(Ry) = 6.746520907349431 residual = 9.071832282495880
1470 … ik = 51 is = 1 idiag = 9 dE(Ry) = 6.280094370698244 residual = 8.910878855812705
1471 … ik = 51 is = 1 idiag = 10 dE(Ry) = 3.261924148442054 residual = 4.935229315531061
1472 … ik = 51 is = 1 idiag = 11 dE(Ry) = 3.303692918987391 residual = 5.055653902176299
1473 … ik = 51 is = 1 idiag = 12 dE(Ry) = 1.207192567961048 residual = 1.816991691457164
1474 … ik = 51 is = 1 idiag = 13 dE(Ry) = 0.355206310210259 residual = 2.695852775779482
1475 … ik = 51 is = 1 idiag = 14 dE(Ry) = 0.594488280783900 residual = 4.346194061668776
1476 … ik = 51 is = 1 idiag = 15 dE(Ry) = 0.589916765846688 residual = 3.016603786019304
1477 … ik = 51 is = 1 idiag = 16 dE(Ry) = 0.166783542241825 residual = 0.459378641660465
1478 … ik = 51 is = 1 idiag = 17 dE(Ry) = 0.003526786248311 residual = 0.086187871465090
1479 … ik = 51 is = 1 idiag = 18 dE(Ry) = 0.000125669081117 residual = 0.017452636922067
1480 … ik = 51 is = 1 idiag = 19 dE(Ry) = 0.000004746621872 residual = 0.002666382413126
1481 … ik = 51 is = 1 idiag = 20 dE(Ry) = 0.000000093585230 residual = 0.000297565332624
1482 … ik = 51 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.000297565317907
1483 … ik = 51 is = 1 idiag = 22 dE(Ry) = 0.000000001137888 residual = 0.000042720769592
1484 … ik = 51 is = 1 idiag = 23 dE(Ry) = 0.000000000033279 residual = 0.000008087629764
1485 … ik = 51 is = 1 idiag = 24 dE(Ry) = 0.000000000001227 residual = 0.000001968630112
1486 … ik = 51 is = 1 idiag = 25 dE(Ry) = 0.000000000000077 residual = 0.000000574328673
1487 … ik = 51 is = 1 idiag = 26 dE(Ry) = 0.000000000000016 residual = 0.000000201991763
1488 … ik = 51 is = 1 idiag = 27 dE(Ry) = 0.000000000000017 residual = 0.000000102416806
1489 … ik = 51 is = 1 idiag = 28 dE(Ry) = 0.000000000000023 residual = 0.000000085336029
1490 … ik = 52 is = 1 idiag = 1 dE(Ry) = 240.477353983682832 residual = 262.034741697145080
1491 … ik = 52 is = 1 idiag = 2 dE(Ry) = 53.567675813945158 residual = 70.565200684463051
1492 … ik = 52 is = 1 idiag = 3 dE(Ry) = 71.548858073024832 residual = 83.314547036664550
1493 … ik = 52 is = 1 idiag = 4 dE(Ry) = 47.995525610584266 residual = 55.454295793943373
1494 … ik = 52 is = 1 idiag = 5 dE(Ry) = 30.352951524822487 residual = 34.961595062384433
1495 … ik = 52 is = 1 idiag = 6 dE(Ry) = 18.378077686179129 residual = 21.203832164196651
1496 … ik = 52 is = 1 idiag = 7 dE(Ry) = 10.610142873273944 residual = 12.429377211924994
1497 … ik = 52 is = 1 idiag = 8 dE(Ry) = 5.913627801247959 residual = 8.055427449016033
1498 … ik = 52 is = 1 idiag = 9 dE(Ry) = 5.772961067131982 residual = 8.586938583553799
1499 … ik = 52 is = 1 idiag = 10 dE(Ry) = 3.653630613535124 residual = 5.420607332463426
1500 … ik = 52 is = 1 idiag = 11 dE(Ry) = 3.279723843466317 residual = 5.186654074073950
1501 … ik = 52 is = 1 idiag = 12 dE(Ry) = 1.403158678522673 residual = 2.065757298235456
1502 … ik = 52 is = 1 idiag = 13 dE(Ry) = 0.280643170110206 residual = 2.736413920394707
1503 … ik = 52 is = 1 idiag = 14 dE(Ry) = 0.571944735825146 residual = 3.711695914923299
1504 … ik = 52 is = 1 idiag = 15 dE(Ry) = 0.500623542970634 residual = 3.483574577536006
1505 … ik = 52 is = 1 idiag = 16 dE(Ry) = 0.173920737225255 residual = 0.658924626247317
1506 … ik = 52 is = 1 idiag = 17 dE(Ry) = 0.009930773152595 residual = 0.158118026902425
1507 … ik = 52 is = 1 idiag = 18 dE(Ry) = 0.000452920083909 residual = 0.028711282093052
1508 … ik = 52 is = 1 idiag = 19 dE(Ry) = 0.000013356706509 residual = 0.004293619235957
1509 … ik = 52 is = 1 idiag = 20 dE(Ry) = 0.000000285685323 residual = 0.000605991628621
1510 … ik = 52 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.000605991561280
1511 … ik = 52 is = 1 idiag = 22 dE(Ry) = 0.000000004509994 residual = 0.000097167128423
1512 … ik = 52 is = 1 idiag = 23 dE(Ry) = 0.000000000157299 residual = 0.000017568728955
1513 … ik = 52 is = 1 idiag = 24 dE(Ry) = 0.000000000006167 residual = 0.000005190957336
1514 … ik = 52 is = 1 idiag = 25 dE(Ry) = 0.000000000000495 residual = 0.000001304488670
1515 … ik = 52 is = 1 idiag = 26 dE(Ry) = 0.000000000000047 residual = 0.000000275146371
1516 … ik = 52 is = 1 idiag = 27 dE(Ry) = 0.000000000000020 residual = 0.000000086499023
1517 … ik = 53 is = 1 idiag = 1 dE(Ry) = 241.053503049733678 residual = 262.568016742083614
1518 … ik = 53 is = 1 idiag = 2 dE(Ry) = 53.654444460660415 residual = 70.773827131336560
1519 … ik = 53 is = 1 idiag = 3 dE(Ry) = 71.680927099558687 residual = 83.659255097084824
1520 … ik = 53 is = 1 idiag = 4 dE(Ry) = 47.931042501535970 residual = 55.334382333640946
1521 … ik = 53 is = 1 idiag = 5 dE(Ry) = 30.306745133885670 residual = 34.908881130981719
1522 … ik = 53 is = 1 idiag = 6 dE(Ry) = 18.298211320158671 residual = 21.140906337429417
1523 … ik = 53 is = 1 idiag = 7 dE(Ry) = 10.741262426500825 residual = 12.433749636720226
1524 … ik = 53 is = 1 idiag = 8 dE(Ry) = 6.414320953669969 residual = 8.614100068553480
1525 … ik = 53 is = 1 idiag = 9 dE(Ry) = 5.937197924508680 residual = 8.753381114677357
1526 … ik = 53 is = 1 idiag = 10 dE(Ry) = 3.482082497263031 residual = 5.066282124784832
1527 … ik = 53 is = 1 idiag = 11 dE(Ry) = 3.290455516537966 residual = 5.105381722099172
1528 … ik = 53 is = 1 idiag = 12 dE(Ry) = 1.233221159451312 residual = 1.819491829431724
1529 … ik = 53 is = 1 idiag = 13 dE(Ry) = 0.347062891705209 residual = 2.805367377601184
1530 … ik = 53 is = 1 idiag = 14 dE(Ry) = 0.569829244286107 residual = 3.552599263558021
1531 … ik = 53 is = 1 idiag = 15 dE(Ry) = 0.477973995838770 residual = 4.192149010987429
1532 … ik = 53 is = 1 idiag = 16 dE(Ry) = 0.547780583127744 residual = 1.011616347349178
1533 … ik = 53 is = 1 idiag = 17 dE(Ry) = 0.015204358992213 residual = 0.224165679865397
1534 … ik = 53 is = 1 idiag = 18 dE(Ry) = 0.000979458594543 residual = 0.044292705199758
1535 … ik = 53 is = 1 idiag = 19 dE(Ry) = 0.000027647908365 residual = 0.007732275538057
1536 … ik = 53 is = 1 idiag = 20 dE(Ry) = 0.000000803979732 residual = 0.000978213964626
1537 … ik = 53 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.000978213634237
1538 … ik = 53 is = 1 idiag = 22 dE(Ry) = 0.000000011199747 residual = 0.000151035013235
1539 … ik = 53 is = 1 idiag = 23 dE(Ry) = 0.000000000366077 residual = 0.000030811705507
1540 … ik = 53 is = 1 idiag = 24 dE(Ry) = 0.000000000015855 residual = 0.000007640671785
1541 … ik = 53 is = 1 idiag = 25 dE(Ry) = 0.000000000000997 residual = 0.000001779853899
1542 … ik = 53 is = 1 idiag = 26 dE(Ry) = 0.000000000000065 residual = 0.000000450417168
1543 … ik = 53 is = 1 idiag = 27 dE(Ry) = 0.000000000000016 residual = 0.000000209530669
1544 … ik = 53 is = 1 idiag = 28 dE(Ry) = 0.000000000000014 residual = 0.000000070290057
1545 … ik = 54 is = 1 idiag = 1 dE(Ry) = 240.801426766616061 residual = 262.381806422285990
1546 … ik = 54 is = 1 idiag = 2 dE(Ry) = 53.840304565640878 residual = 70.734035253125100
1547 … ik = 54 is = 1 idiag = 3 dE(Ry) = 71.978706726967232 residual = 83.694942008537680
1548 … ik = 54 is = 1 idiag = 4 dE(Ry) = 47.916121235144729 residual = 55.396719115478334
1549 … ik = 54 is = 1 idiag = 5 dE(Ry) = 30.530737842899526 residual = 35.223017016086700
1550 … ik = 54 is = 1 idiag = 6 dE(Ry) = 18.115817467475754 residual = 20.935254444042272
1551 … ik = 54 is = 1 idiag = 7 dE(Ry) = 10.373164290147965 residual = 12.105371398708726
1552 … ik = 54 is = 1 idiag = 8 dE(Ry) = 5.657165437425570 residual = 7.294887126156558
1553 … ik = 54 is = 1 idiag = 9 dE(Ry) = 6.216689279625141 residual = 8.935138589280770
1554 … ik = 54 is = 1 idiag = 10 dE(Ry) = 3.653380096849717 residual = 5.410528380771268
1555 … ik = 54 is = 1 idiag = 11 dE(Ry) = 3.255620831806956 residual = 5.049145178746821
1556 … ik = 54 is = 1 idiag = 12 dE(Ry) = 1.255035864269534 residual = 1.843602792022713
1557 … ik = 54 is = 1 idiag = 13 dE(Ry) = 0.250020092308393 residual = 2.889999216686262
1558 … ik = 54 is = 1 idiag = 14 dE(Ry) = 0.588985699782926 residual = 3.745366516737648
1559 … ik = 54 is = 1 idiag = 15 dE(Ry) = 0.480279204729910 residual = 4.183211042080053
1560 … ik = 54 is = 1 idiag = 16 dE(Ry) = 0.457521010574123 residual = 0.794834237737128
1561 … ik = 54 is = 1 idiag = 17 dE(Ry) = 0.015772172438430 residual = 0.194635001139624
1562 … ik = 54 is = 1 idiag = 18 dE(Ry) = 0.000642735523262 residual = 0.037679601182642
1563 … ik = 54 is = 1 idiag = 19 dE(Ry) = 0.000028036967879 residual = 0.008288269571294
1564 … ik = 54 is = 1 idiag = 20 dE(Ry) = 0.000000994455498 residual = 0.001050723808592
1565 … ik = 54 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.001050723337991
1566 … ik = 54 is = 1 idiag = 22 dE(Ry) = 0.000000012866650 residual = 0.000147075389745
1567 … ik = 54 is = 1 idiag = 23 dE(Ry) = 0.000000000339606 residual = 0.000026157117236
1568 … ik = 54 is = 1 idiag = 24 dE(Ry) = 0.000000000014171 residual = 0.000008192914177
1569 … ik = 54 is = 1 idiag = 25 dE(Ry) = 0.000000000001238 residual = 0.000002003624258
1570 … ik = 54 is = 1 idiag = 26 dE(Ry) = 0.000000000000075 residual = 0.000000533822610
1571 … ik = 54 is = 1 idiag = 27 dE(Ry) = 0.000000000000018 residual = 0.000000288780528
1572 … ik = 54 is = 1 idiag = 28 dE(Ry) = 0.000000000000018 residual = 0.000000098356337
1573 … ik = 55 is = 1 idiag = 1 dE(Ry) = 241.345220478123423 residual = 262.930235014850098
1574 … ik = 55 is = 1 idiag = 2 dE(Ry) = 54.221064040357220 residual = 71.225388255849381
1575 … ik = 55 is = 1 idiag = 3 dE(Ry) = 71.799995992723325 residual = 83.608501737990537
1576 … ik = 55 is = 1 idiag = 4 dE(Ry) = 47.879564106039552 residual = 55.333384474342424
1577 … ik = 55 is = 1 idiag = 5 dE(Ry) = 30.602868731656557 residual = 35.309297845452356
1578 … ik = 55 is = 1 idiag = 6 dE(Ry) = 18.375677111765356 residual = 21.099000777926133
1579 … ik = 55 is = 1 idiag = 7 dE(Ry) = 10.383808052138649 residual = 12.054165530101518
1580 … ik = 55 is = 1 idiag = 8 dE(Ry) = 6.048350265493437 residual = 8.688127144919099
1581 … ik = 55 is = 1 idiag = 9 dE(Ry) = 5.835367518600821 residual = 8.643193851788402
1582 … ik = 55 is = 1 idiag = 10 dE(Ry) = 3.503913349577124 residual = 5.145009989793071
1583 … ik = 55 is = 1 idiag = 11 dE(Ry) = 3.246061082034950 residual = 5.152165163792451
1584 … ik = 55 is = 1 idiag = 12 dE(Ry) = 1.220820678226160 residual = 1.877821095632453
1585 … ik = 55 is = 1 idiag = 13 dE(Ry) = 0.263652526257804 residual = 2.809752042278715
1586 … ik = 55 is = 1 idiag = 14 dE(Ry) = 0.550543327184814 residual = 3.968992690346147
1587 … ik = 55 is = 1 idiag = 15 dE(Ry) = 0.415398817115950 residual = 1.265839633627766
1588 … ik = 55 is = 1 idiag = 16 dE(Ry) = 0.329111745776760 residual = 1.229915237400609
1589 … ik = 55 is = 1 idiag = 17 dE(Ry) = 0.025424965398906 residual = 0.258090441996267
1590 … ik = 55 is = 1 idiag = 18 dE(Ry) = 0.001190454037971 residual = 0.054564056053828
1591 … ik = 55 is = 1 idiag = 19 dE(Ry) = 0.000050737970109 residual = 0.009505793663077
1592 … ik = 55 is = 1 idiag = 20 dE(Ry) = 0.000001322199617 residual = 0.001273195708616
1593 … ik = 55 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.001273195022071
1594 … ik = 55 is = 1 idiag = 22 dE(Ry) = 0.000000018972925 residual = 0.000171308391552
1595 … ik = 55 is = 1 idiag = 23 dE(Ry) = 0.000000000559979 residual = 0.000034944157573
1596 … ik = 55 is = 1 idiag = 24 dE(Ry) = 0.000000000023045 residual = 0.000010065288124
1597 … ik = 55 is = 1 idiag = 25 dE(Ry) = 0.000000000001939 residual = 0.000002720291949
1598 … ik = 55 is = 1 idiag = 26 dE(Ry) = 0.000000000000133 residual = 0.000000819957210
1599 … ik = 55 is = 1 idiag = 27 dE(Ry) = 0.000000000000020 residual = 0.000000476988716
1600 … ik = 55 is = 1 idiag = 28 dE(Ry) = 0.000000000000014 residual = 0.000000159316706
1601 … ik = 55 is = 1 idiag = 29 dE(Ry) = 0.000000000000016 residual = 0.000000040705514
1602 … ik = 56 is = 1 idiag = 1 dE(Ry) = 240.821241742655417 residual = 262.396294260915170
1603 … ik = 56 is = 1 idiag = 2 dE(Ry) = 53.617184433605956 residual = 70.697245090066417
1604 … ik = 56 is = 1 idiag = 3 dE(Ry) = 71.657851464875932 residual = 83.336418122745712
1605 … ik = 56 is = 1 idiag = 4 dE(Ry) = 47.776450151024505 residual = 55.283277631012318
1606 … ik = 56 is = 1 idiag = 5 dE(Ry) = 30.507485238025531 residual = 35.171485254095693
1607 … ik = 56 is = 1 idiag = 6 dE(Ry) = 18.714875194407846 residual = 21.395330173038090
1608 … ik = 56 is = 1 idiag = 7 dE(Ry) = 10.514357824501436 residual = 12.151935557179243
1609 … ik = 56 is = 1 idiag = 8 dE(Ry) = 6.073251680220734 residual = 8.535359468474720
1610 … ik = 56 is = 1 idiag = 9 dE(Ry) = 6.524400555683960 residual = 9.059057056052605
1611 … ik = 56 is = 1 idiag = 10 dE(Ry) = 3.021623415012063 residual = 4.925194426148887
1612 … ik = 56 is = 1 idiag = 11 dE(Ry) = 3.247837268121245 residual = 5.056102414427150
1613 … ik = 56 is = 1 idiag = 12 dE(Ry) = 1.146208037909671 residual = 1.716186106870562
1614 … ik = 56 is = 1 idiag = 13 dE(Ry) = 0.280417924637923 residual = 2.823929322174327
1615 … ik = 56 is = 1 idiag = 14 dE(Ry) = 0.563972699703775 residual = 3.506217915637966
1616 … ik = 56 is = 1 idiag = 15 dE(Ry) = 0.445243850002691 residual = 3.018908095860243
1617 … ik = 56 is = 1 idiag = 16 dE(Ry) = 0.204917736552439 residual = 0.479812481145753
1618 … ik = 56 is = 1 idiag = 17 dE(Ry) = 0.004986358644070 residual = 0.110951652715649
1619 … ik = 56 is = 1 idiag = 18 dE(Ry) = 0.000201587402933 residual = 0.020736399887986
1620 … ik = 56 is = 1 idiag = 19 dE(Ry) = 0.000006525711673 residual = 0.003186942267957
1621 … ik = 56 is = 1 idiag = 20 dE(Ry) = 0.000000135550651 residual = 0.000399410229604
1622 … ik = 56 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.000399410206602
1623 … ik = 56 is = 1 idiag = 22 dE(Ry) = 0.000000001922326 residual = 0.000061671727393
1624 … ik = 56 is = 1 idiag = 23 dE(Ry) = 0.000000000059603 residual = 0.000010589886806
1625 … ik = 56 is = 1 idiag = 24 dE(Ry) = 0.000000000002099 residual = 0.000002851439192
1626 … ik = 56 is = 1 idiag = 25 dE(Ry) = 0.000000000000165 residual = 0.000000736466506
1627 … ik = 56 is = 1 idiag = 26 dE(Ry) = 0.000000000000015 residual = 0.000000249168701
1628 … ik = 56 is = 1 idiag = 27 dE(Ry) = 0.000000000000015 residual = 0.000000141113366
1629 … ik = 56 is = 1 idiag = 28 dE(Ry) = 0.000000000000020 residual = 0.000000062515774
1630 … ik = 57 is = 1 idiag = 1 dE(Ry) = 240.687714627977698 residual = 262.302146031937639
1631 … ik = 57 is = 1 idiag = 2 dE(Ry) = 53.828204289787095 residual = 70.863482621239754
1632 … ik = 57 is = 1 idiag = 3 dE(Ry) = 71.535255566465565 residual = 83.365019223061822
1633 … ik = 57 is = 1 idiag = 4 dE(Ry) = 47.687717126443161 residual = 55.133939499229982
1634 … ik = 57 is = 1 idiag = 5 dE(Ry) = 30.612830608021099 residual = 35.170014895168578
1635 … ik = 57 is = 1 idiag = 6 dE(Ry) = 18.318164416727793 residual = 21.177667261384887
1636 … ik = 57 is = 1 idiag = 7 dE(Ry) = 10.554586777473231 residual = 12.132642986576748
1637 … ik = 57 is = 1 idiag = 8 dE(Ry) = 5.612993821020906 residual = 7.576226601398590
1638 … ik = 57 is = 1 idiag = 9 dE(Ry) = 6.009882624718418 residual = 8.907660818426388
1639 … ik = 57 is = 1 idiag = 10 dE(Ry) = 3.721976774810328 residual = 5.653034752939722
1640 … ik = 57 is = 1 idiag = 11 dE(Ry) = 3.297710485541308 residual = 5.023198064458959
1641 … ik = 57 is = 1 idiag = 12 dE(Ry) = 1.058511096967250 residual = 1.648076808281716
1642 … ik = 57 is = 1 idiag = 13 dE(Ry) = 0.213871187702042 residual = 2.880842757403184
1643 … ik = 57 is = 1 idiag = 14 dE(Ry) = 0.558027024539358 residual = 3.256098941006393
1644 … ik = 57 is = 1 idiag = 15 dE(Ry) = 0.512255397250717 residual = 1.105193448919005
1645 … ik = 57 is = 1 idiag = 16 dE(Ry) = 0.326525491047183 residual = 1.646711552387435
1646 … ik = 57 is = 1 idiag = 17 dE(Ry) = 0.048337703478583 residual = 0.458774993442352
1647 … ik = 57 is = 1 idiag = 18 dE(Ry) = 0.003731952267790 residual = 0.085786377747892
1648 … ik = 57 is = 1 idiag = 19 dE(Ry) = 0.000107028968903 residual = 0.011163984443978
1649 … ik = 57 is = 1 idiag = 20 dE(Ry) = 0.000001673372786 residual = 0.001369553749056
1650 … ik = 57 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.001369552726759
1651 … ik = 57 is = 1 idiag = 22 dE(Ry) = 0.000000023082730 residual = 0.000215627635814
1652 … ik = 57 is = 1 idiag = 23 dE(Ry) = 0.000000000818791 residual = 0.000041803797334
1653 … ik = 57 is = 1 idiag = 24 dE(Ry) = 0.000000000029845 residual = 0.000011209706660
1654 … ik = 57 is = 1 idiag = 25 dE(Ry) = 0.000000000002105 residual = 0.000002644095231
1655 … ik = 57 is = 1 idiag = 26 dE(Ry) = 0.000000000000155 residual = 0.000000777180891
1656 … ik = 57 is = 1 idiag = 27 dE(Ry) = 0.000000000000018 residual = 0.000000397459588
1657 … ik = 57 is = 1 idiag = 28 dE(Ry) = 0.000000000000014 residual = 0.000000147367653
1658 … ik = 57 is = 1 idiag = 29 dE(Ry) = 0.000000000000014 residual = 0.000000045521342
1659 … ik = 58 is = 1 idiag = 1 dE(Ry) = 241.004312858233220 residual = 262.558209264430729
1660 … ik = 58 is = 1 idiag = 2 dE(Ry) = 53.927976492465149 residual = 70.932917932921313
1661 … ik = 58 is = 1 idiag = 3 dE(Ry) = 71.990455583572555 residual = 83.818285399023353
1662 … ik = 58 is = 1 idiag = 4 dE(Ry) = 48.348967554691640 residual = 55.762382925393297
1663 … ik = 58 is = 1 idiag = 5 dE(Ry) = 30.747258591310526 residual = 35.395060068629206
1664 … ik = 58 is = 1 idiag = 6 dE(Ry) = 18.271029742671153 residual = 20.987040952570243
1665 … ik = 58 is = 1 idiag = 7 dE(Ry) = 10.500470857788878 residual = 12.246184223939130
1666 … ik = 58 is = 1 idiag = 8 dE(Ry) = 6.722624464099915 residual = 9.241265635432271
1667 … ik = 58 is = 1 idiag = 9 dE(Ry) = 5.883769089463494 residual = 8.960318018665422
1668 … ik = 58 is = 1 idiag = 10 dE(Ry) = 3.582203806092694 residual = 5.306106798258923
1669 … ik = 58 is = 1 idiag = 11 dE(Ry) = 3.279367537497750 residual = 5.159253147109952
1670 … ik = 58 is = 1 idiag = 12 dE(Ry) = 1.251314567467904 residual = 1.871352963978880
1671 … ik = 58 is = 1 idiag = 13 dE(Ry) = 0.284598225428741 residual = 2.833634137206277
1672 … ik = 58 is = 1 idiag = 14 dE(Ry) = 0.635467969455537 residual = 3.720594007993251
1673 … ik = 58 is = 1 idiag = 15 dE(Ry) = 0.512046264953832 residual = 3.941885476081599
1674 … ik = 58 is = 1 idiag = 16 dE(Ry) = 0.288419964866170 residual = 0.503152647763399
1675 … ik = 58 is = 1 idiag = 17 dE(Ry) = 0.003430657515209 residual = 0.092725436635993
1676 … ik = 58 is = 1 idiag = 18 dE(Ry) = 0.000148073367876 residual = 0.016402610753012
1677 … ik = 58 is = 1 idiag = 19 dE(Ry) = 0.000003916480946 residual = 0.002844636940815
1678 … ik = 58 is = 1 idiag = 20 dE(Ry) = 0.000000104436769 residual = 0.000331967870812
1679 … ik = 58 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.000331967854488
1680 … ik = 58 is = 1 idiag = 22 dE(Ry) = 0.000000001321563 residual = 0.000050990314682
1681 … ik = 58 is = 1 idiag = 23 dE(Ry) = 0.000000000041305 residual = 0.000008700438729
1682 … ik = 58 is = 1 idiag = 24 dE(Ry) = 0.000000000001448 residual = 0.000002484059343
1683 … ik = 58 is = 1 idiag = 25 dE(Ry) = 0.000000000000124 residual = 0.000000673629192
1684 … ik = 58 is = 1 idiag = 26 dE(Ry) = 0.000000000000021 residual = 0.000000207797201
1685 … ik = 58 is = 1 idiag = 27 dE(Ry) = 0.000000000000020 residual = 0.000000086493471
1686 … ik = 59 is = 1 idiag = 1 dE(Ry) = 240.245135625225032 residual = 261.813432477537788
1687 … ik = 59 is = 1 idiag = 2 dE(Ry) = 53.726209463523674 residual = 70.621262775664377
1688 … ik = 59 is = 1 idiag = 3 dE(Ry) = 72.129915557639293 residual = 83.825990185621919
1689 … ik = 59 is = 1 idiag = 4 dE(Ry) = 47.660632164652256 residual = 55.239157431142402
1690 … ik = 59 is = 1 idiag = 5 dE(Ry) = 30.469183319082319 residual = 35.085827860504878
1691 … ik = 59 is = 1 idiag = 6 dE(Ry) = 18.355854989815185 residual = 21.132884027471132
1692 … ik = 59 is = 1 idiag = 7 dE(Ry) = 10.626472605525993 residual = 12.254820691923841
1693 … ik = 59 is = 1 idiag = 8 dE(Ry) = 6.176719266018374 residual = 8.950320510033537
1694 … ik = 59 is = 1 idiag = 9 dE(Ry) = 6.363604524656595 residual = 8.893910599241345
1695 … ik = 59 is = 1 idiag = 10 dE(Ry) = 4.100220778617751 residual = 5.908476970147367
1696 … ik = 59 is = 1 idiag = 11 dE(Ry) = 3.351426628953203 residual = 5.109564074825565
1697 … ik = 59 is = 1 idiag = 12 dE(Ry) = 1.048711908508634 residual = 1.648898931671060
1698 … ik = 59 is = 1 idiag = 13 dE(Ry) = 0.387175012364690 residual = 2.853178973659862
1699 … ik = 59 is = 1 idiag = 14 dE(Ry) = 0.609699289119562 residual = 3.799400142295276
1700 … ik = 59 is = 1 idiag = 15 dE(Ry) = 0.608958644910949 residual = 4.183293332613498
1701 … ik = 59 is = 1 idiag = 16 dE(Ry) = 0.316717658614648 residual = 0.691221426766831
1702 … ik = 59 is = 1 idiag = 17 dE(Ry) = 0.007939334316526 residual = 0.133062603100267
1703 … ik = 59 is = 1 idiag = 18 dE(Ry) = 0.000302611865628 residual = 0.023961824452817
1704 … ik = 59 is = 1 idiag = 19 dE(Ry) = 0.000009013465356 residual = 0.003579413996286
1705 … ik = 59 is = 1 idiag = 20 dE(Ry) = 0.000000171347433 residual = 0.000439366255310
1706 … ik = 59 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.000439366221898
1707 … ik = 59 is = 1 idiag = 22 dE(Ry) = 0.000000002331581 residual = 0.000066441614269
1708 … ik = 59 is = 1 idiag = 23 dE(Ry) = 0.000000000079884 residual = 0.000011750863044
1709 … ik = 59 is = 1 idiag = 24 dE(Ry) = 0.000000000002459 residual = 0.000003122473901
1710 … ik = 59 is = 1 idiag = 25 dE(Ry) = 0.000000000000193 residual = 0.000000875529888
1711 … ik = 59 is = 1 idiag = 26 dE(Ry) = 0.000000000000021 residual = 0.000000197021819
1712 … ik = 59 is = 1 idiag = 27 dE(Ry) = 0.000000000000016 residual = 0.000000083480824
1713 … ik = 60 is = 1 idiag = 1 dE(Ry) = 240.779569925647394 residual = 262.282506797222709
1714 … ik = 60 is = 1 idiag = 2 dE(Ry) = 53.930009612103987 residual = 70.944898557160982
1715 … ik = 60 is = 1 idiag = 3 dE(Ry) = 72.556089574758460 residual = 84.255478508475278
1716 … ik = 60 is = 1 idiag = 4 dE(Ry) = 48.413221030760070 residual = 55.813329525499128
1717 … ik = 60 is = 1 idiag = 5 dE(Ry) = 30.431546681705498 residual = 35.054608495768520
1718 … ik = 60 is = 1 idiag = 6 dE(Ry) = 18.566066077283203 residual = 21.337949494410378
1719 … ik = 60 is = 1 idiag = 7 dE(Ry) = 10.467389291684983 residual = 12.321184152504214
1720 … ik = 60 is = 1 idiag = 8 dE(Ry) = 5.712809126703408 residual = 7.717806819303330
1721 … ik = 60 is = 1 idiag = 9 dE(Ry) = 6.050236400782478 residual = 8.951023437168187
1722 … ik = 60 is = 1 idiag = 10 dE(Ry) = 3.899771806362481 residual = 5.525577389595719
1723 … ik = 60 is = 1 idiag = 11 dE(Ry) = 3.274028658415714 residual = 5.095345810289409
1724 … ik = 60 is = 1 idiag = 12 dE(Ry) = 1.281197636504031 residual = 1.880710780266456
1725 … ik = 60 is = 1 idiag = 13 dE(Ry) = 0.354954122927309 residual = 2.813072653868721
1726 … ik = 60 is = 1 idiag = 14 dE(Ry) = 0.575916415970227 residual = 3.723548164698118
1727 … ik = 60 is = 1 idiag = 15 dE(Ry) = 0.629315778794074 residual = 4.467104333651869
1728 … ik = 60 is = 1 idiag = 16 dE(Ry) = 0.487446123968149 residual = 0.694173567237068
1729 … ik = 60 is = 1 idiag = 17 dE(Ry) = 0.003922980990561 residual = 0.102230861267868
1730 … ik = 60 is = 1 idiag = 18 dE(Ry) = 0.000181261936909 residual = 0.019694302541468
1731 … ik = 60 is = 1 idiag = 19 dE(Ry) = 0.000006015835717 residual = 0.003346121023388
1732 … ik = 60 is = 1 idiag = 20 dE(Ry) = 0.000000159076980 residual = 0.000453412587364
1733 … ik = 60 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.000453412559458
1734 … ik = 60 is = 1 idiag = 22 dE(Ry) = 0.000000002544024 residual = 0.000073680504175
1735 … ik = 60 is = 1 idiag = 23 dE(Ry) = 0.000000000089202 residual = 0.000014896899737
1736 … ik = 60 is = 1 idiag = 24 dE(Ry) = 0.000000000004285 residual = 0.000004301461833
1737 … ik = 60 is = 1 idiag = 25 dE(Ry) = 0.000000000000333 residual = 0.000000893412147
1738 … ik = 60 is = 1 idiag = 26 dE(Ry) = 0.000000000000032 residual = 0.000000202852443
1739 … ik = 60 is = 1 idiag = 27 dE(Ry) = 0.000000000000025 residual = 0.000000075630971
1740 … ik = 61 is = 1 idiag = 1 dE(Ry) = 240.468892197512218 residual = 261.960760169455455
1741 … ik = 61 is = 1 idiag = 2 dE(Ry) = 53.848464768454846 residual = 70.857524617875413
1742 … ik = 61 is = 1 idiag = 3 dE(Ry) = 71.443544844469983 residual = 83.207755056851084
1743 … ik = 61 is = 1 idiag = 4 dE(Ry) = 47.938271919092273 residual = 55.383891952285424
1744 … ik = 61 is = 1 idiag = 5 dE(Ry) = 30.890978269875589 residual = 35.583003118996103
1745 … ik = 61 is = 1 idiag = 6 dE(Ry) = 18.472584369879293 residual = 21.213968638503573
1746 … ik = 61 is = 1 idiag = 7 dE(Ry) = 10.566949010662075 residual = 12.361398464676808
1747 … ik = 61 is = 1 idiag = 8 dE(Ry) = 5.827669553246911 residual = 7.879809967282707
1748 … ik = 61 is = 1 idiag = 9 dE(Ry) = 6.568089192481607 residual = 9.097984019470903
1749 … ik = 61 is = 1 idiag = 10 dE(Ry) = 3.145364054786560 residual = 4.981479270474107
1750 … ik = 61 is = 1 idiag = 11 dE(Ry) = 3.261589187268349 residual = 5.179584140553350
1751 … ik = 61 is = 1 idiag = 12 dE(Ry) = 1.228720525442715 residual = 1.886890680335857
1752 … ik = 61 is = 1 idiag = 13 dE(Ry) = 0.275399480104104 residual = 2.715660459805121
1753 … ik = 61 is = 1 idiag = 14 dE(Ry) = 0.549842064343394 residual = 3.312934097897188
1754 … ik = 61 is = 1 idiag = 15 dE(Ry) = 0.567887756975406 residual = 1.218689853986724
1755 … ik = 61 is = 1 idiag = 16 dE(Ry) = 0.487316532193125 residual = 1.360559830258524
1756 … ik = 61 is = 1 idiag = 17 dE(Ry) = 0.021560190361646 residual = 0.288844334839829
1757 … ik = 61 is = 1 idiag = 18 dE(Ry) = 0.001406911209583 residual = 0.054849160659845
1758 … ik = 61 is = 1 idiag = 19 dE(Ry) = 0.000048362040132 residual = 0.010079537748635
1759 … ik = 61 is = 1 idiag = 20 dE(Ry) = 0.000001331183075 residual = 0.001227665455948
1760 … ik = 61 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.001227664734233
1761 … ik = 61 is = 1 idiag = 22 dE(Ry) = 0.000000017727323 residual = 0.000183333938756
1762 … ik = 61 is = 1 idiag = 23 dE(Ry) = 0.000000000544793 residual = 0.000032556991018
1763 … ik = 61 is = 1 idiag = 24 dE(Ry) = 0.000000000019771 residual = 0.000008754503151
1764 … ik = 61 is = 1 idiag = 25 dE(Ry) = 0.000000000001539 residual = 0.000002298835078
1765 … ik = 61 is = 1 idiag = 26 dE(Ry) = 0.000000000000107 residual = 0.000000633701767
1766 … ik = 61 is = 1 idiag = 27 dE(Ry) = 0.000000000000021 residual = 0.000000291337369
1767 … ik = 61 is = 1 idiag = 28 dE(Ry) = 0.000000000000017 residual = 0.000000131388983
1768 … ik = 61 is = 1 idiag = 29 dE(Ry) = 0.000000000000018 residual = 0.000000068032976
1769 … ik = 62 is = 1 idiag = 1 dE(Ry) = 240.851113126134010 residual = 262.366907414167883
1770 … ik = 62 is = 1 idiag = 2 dE(Ry) = 53.784897194402276 residual = 70.720033762697255
1771 … ik = 62 is = 1 idiag = 3 dE(Ry) = 71.575540718841268 residual = 83.360158805217210
1772 … ik = 62 is = 1 idiag = 4 dE(Ry) = 48.073215791957580 residual = 55.582148780022088
1773 … ik = 62 is = 1 idiag = 5 dE(Ry) = 30.653971594027112 residual = 35.103276730538191
1774 … ik = 62 is = 1 idiag = 6 dE(Ry) = 18.489121960577620 residual = 21.201458353240586
1775 … ik = 62 is = 1 idiag = 7 dE(Ry) = 10.409560292775078 residual = 12.071553711422464
1776 … ik = 62 is = 1 idiag = 8 dE(Ry) = 6.117450687338229 residual = 8.832251787477770
1777 … ik = 62 is = 1 idiag = 9 dE(Ry) = 5.774420398572248 residual = 8.475354849322414
1778 … ik = 62 is = 1 idiag = 10 dE(Ry) = 4.075196452815069 residual = 5.633163258261402
1779 … ik = 62 is = 1 idiag = 11 dE(Ry) = 3.134894349259650 residual = 5.141262457957663
1780 … ik = 62 is = 1 idiag = 12 dE(Ry) = 1.320113110248913 residual = 1.921004578462987
1781 … ik = 62 is = 1 idiag = 13 dE(Ry) = 0.293959878142874 residual = 2.726257420300418
1782 … ik = 62 is = 1 idiag = 14 dE(Ry) = 0.608589851132293 residual = 3.152321215562722
1783 … ik = 62 is = 1 idiag = 15 dE(Ry) = 0.478154620176155 residual = 4.060447333295985
1784 … ik = 62 is = 1 idiag = 16 dE(Ry) = 0.440103316640445 residual = 0.813496218223487
1785 … ik = 62 is = 1 idiag = 17 dE(Ry) = 0.011972910939543 residual = 0.170284242939808
1786 … ik = 62 is = 1 idiag = 18 dE(Ry) = 0.000519030754069 residual = 0.033882912611577
1787 … ik = 62 is = 1 idiag = 19 dE(Ry) = 0.000016215682860 residual = 0.004441321478805
1788 … ik = 62 is = 1 idiag = 20 dE(Ry) = 0.000000272259381 residual = 0.000619472824348
1789 … ik = 62 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.000619472764519
1790 … ik = 62 is = 1 idiag = 22 dE(Ry) = 0.000000004632616 residual = 0.000095527538694
1791 … ik = 62 is = 1 idiag = 23 dE(Ry) = 0.000000000154716 residual = 0.000019694770948
1792 … ik = 62 is = 1 idiag = 24 dE(Ry) = 0.000000000007374 residual = 0.000005498922054
1793 … ik = 62 is = 1 idiag = 25 dE(Ry) = 0.000000000000561 residual = 0.000001294820120
1794 … ik = 62 is = 1 idiag = 26 dE(Ry) = 0.000000000000029 residual = 0.000000342267544
1795 … ik = 62 is = 1 idiag = 27 dE(Ry) = 0.000000000000012 residual = 0.000000166781813
1796 … ik = 62 is = 1 idiag = 28 dE(Ry) = 0.000000000000018 residual = 0.000000057115733
1797 … ik = 63 is = 1 idiag = 1 dE(Ry) = 240.892285485478141 residual = 262.406534165943185
1798 … ik = 63 is = 1 idiag = 2 dE(Ry) = 53.700436548774093 residual = 70.796794334770723
1799 … ik = 63 is = 1 idiag = 3 dE(Ry) = 71.668618841411444 residual = 83.598010042676307
1800 … ik = 63 is = 1 idiag = 4 dE(Ry) = 48.034416823128595 residual = 55.560154158464449
1801 … ik = 63 is = 1 idiag = 5 dE(Ry) = 30.691831404787010 residual = 35.334669739358418
1802 … ik = 63 is = 1 idiag = 6 dE(Ry) = 18.440327568475972 residual = 21.192386684482702
1803 … ik = 63 is = 1 idiag = 7 dE(Ry) = 10.455059390197935 residual = 12.265377997229558
1804 … ik = 63 is = 1 idiag = 8 dE(Ry) = 6.356672813173103 residual = 9.028454951705248
1805 … ik = 63 is = 1 idiag = 9 dE(Ry) = 6.056927324647736 residual = 8.782088172397453
1806 … ik = 63 is = 1 idiag = 10 dE(Ry) = 3.399882658685134 residual = 4.993990542887670
1807 … ik = 63 is = 1 idiag = 11 dE(Ry) = 3.243411295626058 residual = 5.128559889163510
1808 … ik = 63 is = 1 idiag = 12 dE(Ry) = 1.198411772198266 residual = 1.785002032861003
1809 … ik = 63 is = 1 idiag = 13 dE(Ry) = 0.293750337059475 residual = 2.788719634123500
1810 … ik = 63 is = 1 idiag = 14 dE(Ry) = 0.594254826578118 residual = 2.529870968961466
1811 … ik = 63 is = 1 idiag = 15 dE(Ry) = 0.477403517632299 residual = 2.288448825227289
1812 … ik = 63 is = 1 idiag = 16 dE(Ry) = 0.486066623108495 residual = 0.843653976618162
1813 … ik = 63 is = 1 idiag = 17 dE(Ry) = 0.017594591048409 residual = 0.227985368080201
1814 … ik = 63 is = 1 idiag = 18 dE(Ry) = 0.000923340870412 residual = 0.042200143982295
1815 … ik = 63 is = 1 idiag = 19 dE(Ry) = 0.000027012040611 residual = 0.006594009245912
1816 … ik = 63 is = 1 idiag = 20 dE(Ry) = 0.000000615528747 residual = 0.000819594803010
1817 … ik = 63 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.000819594571873
1818 … ik = 63 is = 1 idiag = 22 dE(Ry) = 0.000000008956944 residual = 0.000128280861578
1819 … ik = 63 is = 1 idiag = 23 dE(Ry) = 0.000000000296770 residual = 0.000025595632902
1820 … ik = 63 is = 1 idiag = 24 dE(Ry) = 0.000000000012467 residual = 0.000007504993757
1821 … ik = 63 is = 1 idiag = 25 dE(Ry) = 0.000000000001042 residual = 0.000001864663327
1822 … ik = 63 is = 1 idiag = 26 dE(Ry) = 0.000000000000086 residual = 0.000000657783479
1823 … ik = 63 is = 1 idiag = 27 dE(Ry) = 0.000000000000018 residual = 0.000000357158363
1824 … ik = 63 is = 1 idiag = 28 dE(Ry) = 0.000000000000016 residual = 0.000000121325669
1825 … ik = 63 is = 1 idiag = 29 dE(Ry) = 0.000000000000018 residual = 0.000000032230870
1826 … ik = 64 is = 1 idiag = 1 dE(Ry) = 240.769780740212042 residual = 262.219500837864416
1827 … ik = 64 is = 1 idiag = 2 dE(Ry) = 54.214456549370709 residual = 71.413627904547951
1828 … ik = 64 is = 1 idiag = 3 dE(Ry) = 71.403889800226409 residual = 83.147751323299104
1829 … ik = 64 is = 1 idiag = 4 dE(Ry) = 47.945947501842511 residual = 55.494734851862425
1830 … ik = 64 is = 1 idiag = 5 dE(Ry) = 30.577020838073778 residual = 35.130394021204580
1831 … ik = 64 is = 1 idiag = 6 dE(Ry) = 18.267189675013690 residual = 20.984058186712200
1832 … ik = 64 is = 1 idiag = 7 dE(Ry) = 10.604668991064660 residual = 12.350044955382158
1833 … ik = 64 is = 1 idiag = 8 dE(Ry) = 5.865263482629153 residual = 8.210678038279447
1834 … ik = 64 is = 1 idiag = 9 dE(Ry) = 6.086368378459479 residual = 8.876740356805580
1835 … ik = 64 is = 1 idiag = 10 dE(Ry) = 3.871864743149492 residual = 5.524867840261448
1836 … ik = 64 is = 1 idiag = 11 dE(Ry) = 3.225332966834914 residual = 5.163628657094285
1837 … ik = 64 is = 1 idiag = 12 dE(Ry) = 1.421922691538257 residual = 2.068316406925494
1838 … ik = 64 is = 1 idiag = 13 dE(Ry) = 0.243753984881165 residual = 2.603444020769876
1839 … ik = 64 is = 1 idiag = 14 dE(Ry) = 0.582755916114972 residual = 3.380817032162233
1840 … ik = 64 is = 1 idiag = 15 dE(Ry) = 0.441126580138697 residual = 1.753719335885281
1841 … ik = 64 is = 1 idiag = 16 dE(Ry) = 0.406417536343572 residual = 1.438553342444725
1842 … ik = 64 is = 1 idiag = 17 dE(Ry) = 0.035774602509986 residual = 0.362124717125300
1843 … ik = 64 is = 1 idiag = 18 dE(Ry) = 0.002433018254867 residual = 0.073101443615451
1844 … ik = 64 is = 1 idiag = 19 dE(Ry) = 0.000081680833910 residual = 0.011445303916925
1845 … ik = 64 is = 1 idiag = 20 dE(Ry) = 0.000001784618079 residual = 0.001343553668841
1846 … ik = 64 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.001343552483603
1847 … ik = 64 is = 1 idiag = 22 dE(Ry) = 0.000000021380623 residual = 0.000195107800424
1848 … ik = 64 is = 1 idiag = 23 dE(Ry) = 0.000000000633334 residual = 0.000038996684370
1849 … ik = 64 is = 1 idiag = 24 dE(Ry) = 0.000000000025682 residual = 0.000009686680425
1850 … ik = 64 is = 1 idiag = 25 dE(Ry) = 0.000000000001802 residual = 0.000002475420789
1851 … ik = 64 is = 1 idiag = 26 dE(Ry) = 0.000000000000117 residual = 0.000000606200748
1852 … ik = 64 is = 1 idiag = 27 dE(Ry) = 0.000000000000015 residual = 0.000000246349127
1853 … ik = 64 is = 1 idiag = 28 dE(Ry) = 0.000000000000013 residual = 0.000000095388219
1854 … ik = 65 is = 1 idiag = 1 dE(Ry) = 241.434493752538600 residual = 262.866261691940849
1855 … ik = 65 is = 1 idiag = 2 dE(Ry) = 53.745556032947434 residual = 70.913646301733195
1856 … ik = 65 is = 1 idiag = 3 dE(Ry) = 71.596948029165276 residual = 83.324895684997443
1857 … ik = 65 is = 1 idiag = 4 dE(Ry) = 48.215083463063394 residual = 55.742127802204081
1858 … ik = 65 is = 1 idiag = 5 dE(Ry) = 30.782720273954411 residual = 35.329515946812528
1859 … ik = 65 is = 1 idiag = 6 dE(Ry) = 18.155119512557548 residual = 20.948306732806625
1860 … ik = 65 is = 1 idiag = 7 dE(Ry) = 10.553270166993210 residual = 12.362810909473653
1861 … ik = 65 is = 1 idiag = 8 dE(Ry) = 5.725488994053471 residual = 7.986382394220319
1862 … ik = 65 is = 1 idiag = 9 dE(Ry) = 6.160502474144097 residual = 8.809347369165328
1863 … ik = 65 is = 1 idiag = 10 dE(Ry) = 4.059262600984397 residual = 5.934902806062235
1864 … ik = 65 is = 1 idiag = 11 dE(Ry) = 3.221183691927633 residual = 5.042518358627584
1865 … ik = 65 is = 1 idiag = 12 dE(Ry) = 1.354680511270690 residual = 1.990065570534915
1866 … ik = 65 is = 1 idiag = 13 dE(Ry) = 0.306189370307803 residual = 2.698595663391782
1867 … ik = 65 is = 1 idiag = 14 dE(Ry) = 0.545883195319645 residual = 3.335622894392131
1868 … ik = 65 is = 1 idiag = 15 dE(Ry) = 0.488609278368346 residual = 4.240358372125141
1869 … ik = 65 is = 1 idiag = 16 dE(Ry) = 0.431911161611556 residual = 0.880089909579443
1870 … ik = 65 is = 1 idiag = 17 dE(Ry) = 0.014012412313401 residual = 0.139446386713442
1871 … ik = 65 is = 1 idiag = 18 dE(Ry) = 0.000367064875850 residual = 0.027719151650661
1872 … ik = 65 is = 1 idiag = 19 dE(Ry) = 0.000012862510958 residual = 0.004982864408992
1873 … ik = 65 is = 1 idiag = 20 dE(Ry) = 0.000000355524033 residual = 0.000640558711694
1874 … ik = 65 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.000640558613032
1875 … ik = 65 is = 1 idiag = 22 dE(Ry) = 0.000000004859109 residual = 0.000093704612937
1876 … ik = 65 is = 1 idiag = 23 dE(Ry) = 0.000000000144854 residual = 0.000017694548913
1877 … ik = 65 is = 1 idiag = 24 dE(Ry) = 0.000000000005306 residual = 0.000004488396606
1878 … ik = 65 is = 1 idiag = 25 dE(Ry) = 0.000000000000377 residual = 0.000001300194203
1879 … ik = 65 is = 1 idiag = 26 dE(Ry) = 0.000000000000033 residual = 0.000000412810533
1880 … ik = 65 is = 1 idiag = 27 dE(Ry) = 0.000000000000016 residual = 0.000000215625972
1881 … ik = 65 is = 1 idiag = 28 dE(Ry) = 0.000000000000021 residual = 0.000000082817609
1882 … ik = 66 is = 1 idiag = 1 dE(Ry) = 240.751649781516676 residual = 262.378092752029090
1883 … ik = 66 is = 1 idiag = 2 dE(Ry) = 53.723922838380076 residual = 70.894942235634176
1884 … ik = 66 is = 1 idiag = 3 dE(Ry) = 71.443514672044245 residual = 83.197969698521035
1885 … ik = 66 is = 1 idiag = 4 dE(Ry) = 47.755739008535215 residual = 55.389094614704860
1886 … ik = 66 is = 1 idiag = 5 dE(Ry) = 30.633261142306814 residual = 35.447856026482626
1887 … ik = 66 is = 1 idiag = 6 dE(Ry) = 18.289870850499568 residual = 21.042581433996357
1888 … ik = 66 is = 1 idiag = 7 dE(Ry) = 10.537519857571402 residual = 12.368309682668858
1889 … ik = 66 is = 1 idiag = 8 dE(Ry) = 5.814389272947824 residual = 8.165267852354976
1890 … ik = 66 is = 1 idiag = 9 dE(Ry) = 6.148032926243746 residual = 8.865294936572493
1891 … ik = 66 is = 1 idiag = 10 dE(Ry) = 3.936174367636052 residual = 5.734987472887352
1892 … ik = 66 is = 1 idiag = 11 dE(Ry) = 3.320402961474106 residual = 5.119894874436663
1893 … ik = 66 is = 1 idiag = 12 dE(Ry) = 1.655481510937480 residual = 2.277055065820838
1894 … ik = 66 is = 1 idiag = 13 dE(Ry) = 0.246672458895744 residual = 2.751087386460145
1895 … ik = 66 is = 1 idiag = 14 dE(Ry) = 0.598751311265576 residual = 3.451064990755485
1896 … ik = 66 is = 1 idiag = 15 dE(Ry) = 0.503220055187919 residual = 1.211163202719943
1897 … ik = 66 is = 1 idiag = 16 dE(Ry) = 0.403760094143307 residual = 1.432749510802438
1898 … ik = 66 is = 1 idiag = 17 dE(Ry) = 0.036829254603328 residual = 0.338954872590375
1899 … ik = 66 is = 1 idiag = 18 dE(Ry) = 0.002137927766552 residual = 0.070795777190831
1900 … ik = 66 is = 1 idiag = 19 dE(Ry) = 0.000080222391742 residual = 0.011287466879781
1901 … ik = 66 is = 1 idiag = 20 dE(Ry) = 0.000001821757952 residual = 0.001596068609599
1902 … ik = 66 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.001596067569917
1903 … ik = 66 is = 1 idiag = 22 dE(Ry) = 0.000000029170949 residual = 0.000246991026376
1904 … ik = 66 is = 1 idiag = 23 dE(Ry) = 0.000000001026798 residual = 0.000049781469504
1905 … ik = 66 is = 1 idiag = 24 dE(Ry) = 0.000000000044572 residual = 0.000013516179587
1906 … ik = 66 is = 1 idiag = 25 dE(Ry) = 0.000000000003178 residual = 0.000003193640969
1907 … ik = 66 is = 1 idiag = 26 dE(Ry) = 0.000000000000198 residual = 0.000000683506577
1908 … ik = 66 is = 1 idiag = 27 dE(Ry) = 0.000000000000015 residual = 0.000000234105767
1909 … ik = 66 is = 1 idiag = 28 dE(Ry) = 0.000000000000014 residual = 0.000000101293362
1910 … ik = 66 is = 1 idiag = 29 dE(Ry) = 0.000000000000012 residual = 0.000000056701284
1911 … ik = 67 is = 1 idiag = 1 dE(Ry) = 240.899918565029509 residual = 262.248054995572147
1912 … ik = 67 is = 1 idiag = 2 dE(Ry) = 53.838713300937002 residual = 70.744779803635112
1913 … ik = 67 is = 1 idiag = 3 dE(Ry) = 71.630405238402972 residual = 83.301204888726971
1914 … ik = 67 is = 1 idiag = 4 dE(Ry) = 47.807636552766070 residual = 55.366227441157569
1915 … ik = 67 is = 1 idiag = 5 dE(Ry) = 30.530215576783732 residual = 35.074365415544634
1916 … ik = 67 is = 1 idiag = 6 dE(Ry) = 18.194362809966876 residual = 20.951103725072493
1917 … ik = 67 is = 1 idiag = 7 dE(Ry) = 10.717294299854071 residual = 12.557583733744773
1918 … ik = 67 is = 1 idiag = 8 dE(Ry) = 5.883879062861186 residual = 7.997657707506450
1919 … ik = 67 is = 1 idiag = 9 dE(Ry) = 6.620531163238301 residual = 9.151581959195243
1920 … ik = 67 is = 1 idiag = 10 dE(Ry) = 3.495980869507342 residual = 5.242528849324168
1921 … ik = 67 is = 1 idiag = 11 dE(Ry) = 3.257867579481569 residual = 5.014897062242225
1922 … ik = 67 is = 1 idiag = 12 dE(Ry) = 1.153547459531644 residual = 1.708601911829846
1923 … ik = 67 is = 1 idiag = 13 dE(Ry) = 0.340195487580091 residual = 2.660592268057691
1924 … ik = 67 is = 1 idiag = 14 dE(Ry) = 0.570127504889441 residual = 3.442366136960186
1925 … ik = 67 is = 1 idiag = 15 dE(Ry) = 0.502067721425947 residual = 2.661915211764779
1926 … ik = 67 is = 1 idiag = 16 dE(Ry) = 0.467612331533232 residual = 1.802708359936361
1927 … ik = 67 is = 1 idiag = 17 dE(Ry) = 0.063262483187290 residual = 0.462217596948008
1928 … ik = 67 is = 1 idiag = 18 dE(Ry) = 0.003688290946868 residual = 0.087806443103507
1929 … ik = 67 is = 1 idiag = 19 dE(Ry) = 0.000121191931230 residual = 0.013687328164997
1930 … ik = 67 is = 1 idiag = 20 dE(Ry) = 0.000002682431781 residual = 0.001677630163598
1931 … ik = 67 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.001677628019072
1932 … ik = 67 is = 1 idiag = 22 dE(Ry) = 0.000000036194042 residual = 0.000248806104490
1933 … ik = 67 is = 1 idiag = 23 dE(Ry) = 0.000000001155298 residual = 0.000048671402295
1934 … ik = 67 is = 1 idiag = 24 dE(Ry) = 0.000000000045416 residual = 0.000013279893729
1935 … ik = 67 is = 1 idiag = 25 dE(Ry) = 0.000000000003355 residual = 0.000003555869569
1936 … ik = 67 is = 1 idiag = 26 dE(Ry) = 0.000000000000238 residual = 0.000000740923124
1937 … ik = 67 is = 1 idiag = 27 dE(Ry) = 0.000000000000015 residual = 0.000000238842713
1938 … ik = 67 is = 1 idiag = 28 dE(Ry) = 0.000000000000018 residual = 0.000000083551628
1939 … ik = 68 is = 1 idiag = 1 dE(Ry) = 241.219367902874950 residual = 262.603485272457704
1940 … ik = 68 is = 1 idiag = 2 dE(Ry) = 53.720736662453305 residual = 70.775227864248095
1941 … ik = 68 is = 1 idiag = 3 dE(Ry) = 72.040930276772855 residual = 83.708750919494065
1942 … ik = 68 is = 1 idiag = 4 dE(Ry) = 47.839685061445451 residual = 55.427288047610254
1943 … ik = 68 is = 1 idiag = 5 dE(Ry) = 30.648917494684042 residual = 35.250633252644072
1944 … ik = 68 is = 1 idiag = 6 dE(Ry) = 18.429742624603879 residual = 21.150618552904820
1945 … ik = 68 is = 1 idiag = 7 dE(Ry) = 10.677125742549183 residual = 12.403590551606277
1946 … ik = 68 is = 1 idiag = 8 dE(Ry) = 6.353020791097620 residual = 9.131660749828466
1947 … ik = 68 is = 1 idiag = 9 dE(Ry) = 5.810640116112274 residual = 8.613838973521403
1948 … ik = 68 is = 1 idiag = 10 dE(Ry) = 3.510575651164941 residual = 5.200207944828186
1949 … ik = 68 is = 1 idiag = 11 dE(Ry) = 3.308975236420567 residual = 5.121250823763650
1950 … ik = 68 is = 1 idiag = 12 dE(Ry) = 1.100678912811962 residual = 1.654776210821616
1951 … ik = 68 is = 1 idiag = 13 dE(Ry) = 0.351033914348290 residual = 2.623649671361564
1952 … ik = 68 is = 1 idiag = 14 dE(Ry) = 0.584799285465080 residual = 3.511273217071532
1953 … ik = 68 is = 1 idiag = 15 dE(Ry) = 0.497294113817947 residual = 3.377859922818328
1954 … ik = 68 is = 1 idiag = 16 dE(Ry) = 0.507368486436516 residual = 0.950282590371435
1955 … ik = 68 is = 1 idiag = 17 dE(Ry) = 0.016327357353360 residual = 0.238595315655063
1956 … ik = 68 is = 1 idiag = 18 dE(Ry) = 0.001033264836689 residual = 0.051169562507402
1957 … ik = 68 is = 1 idiag = 19 dE(Ry) = 0.000042115913301 residual = 0.007816496634019
1958 … ik = 68 is = 1 idiag = 20 dE(Ry) = 0.000000818797668 residual = 0.000928632897117
1959 … ik = 68 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.000928632536140
1960 … ik = 68 is = 1 idiag = 22 dE(Ry) = 0.000000010353111 residual = 0.000134617325378
1961 … ik = 68 is = 1 idiag = 23 dE(Ry) = 0.000000000293417 residual = 0.000023953360148
1962 … ik = 68 is = 1 idiag = 24 dE(Ry) = 0.000000000010289 residual = 0.000006378745993
1963 … ik = 68 is = 1 idiag = 25 dE(Ry) = 0.000000000000718 residual = 0.000001641704626
1964 … ik = 68 is = 1 idiag = 26 dE(Ry) = 0.000000000000055 residual = 0.000000528874609
1965 … ik = 68 is = 1 idiag = 27 dE(Ry) = 0.000000000000016 residual = 0.000000281914944
1966 … ik = 68 is = 1 idiag = 28 dE(Ry) = 0.000000000000018 residual = 0.000000103627418
1967 … ik = 68 is = 1 idiag = 29 dE(Ry) = 0.000000000000020 residual = 0.000000035685870
1968 … ik = 69 is = 1 idiag = 1 dE(Ry) = 241.109734123226986 residual = 262.535721811377130
1969 … ik = 69 is = 1 idiag = 2 dE(Ry) = 53.624727977113025 residual = 70.618249578518970
1970 … ik = 69 is = 1 idiag = 3 dE(Ry) = 71.532378007900292 residual = 83.538025609371459
1971 … ik = 69 is = 1 idiag = 4 dE(Ry) = 48.047480111293083 residual = 55.677583909978495
1972 … ik = 69 is = 1 idiag = 5 dE(Ry) = 30.461703956006389 residual = 35.077971965367297
1973 … ik = 69 is = 1 idiag = 6 dE(Ry) = 18.443817564660939 residual = 21.128933181461210
1974 … ik = 69 is = 1 idiag = 7 dE(Ry) = 10.559641601185001 residual = 12.262827411688102
1975 … ik = 69 is = 1 idiag = 8 dE(Ry) = 6.540759787088785 residual = 9.100309662902418
1976 … ik = 69 is = 1 idiag = 9 dE(Ry) = 5.569018616144474 residual = 8.540624199437575
1977 … ik = 69 is = 1 idiag = 10 dE(Ry) = 3.763615168534186 residual = 5.340984949548107
1978 … ik = 69 is = 1 idiag = 11 dE(Ry) = 3.185470366335776 residual = 5.241028723803272
1979 … ik = 69 is = 1 idiag = 12 dE(Ry) = 1.403068310599214 residual = 2.032353213755517
1980 … ik = 69 is = 1 idiag = 13 dE(Ry) = 0.349052761413464 residual = 2.630589669222256
1981 … ik = 69 is = 1 idiag = 14 dE(Ry) = 0.591156895809545 residual = 3.140896528577995
1982 … ik = 69 is = 1 idiag = 15 dE(Ry) = 0.494683637790532 residual = 2.299411925096734
1983 … ik = 69 is = 1 idiag = 16 dE(Ry) = 0.419680753450487 residual = 3.239391913288965
1984 … ik = 69 is = 1 idiag = 17 dE(Ry) = 0.080719907578724 residual = 0.529326298228855
1985 … ik = 69 is = 1 idiag = 18 dE(Ry) = 0.006047143151644 residual = 0.103635490740306
1986 … ik = 69 is = 1 idiag = 19 dE(Ry) = 0.000162767260648 residual = 0.015266733815359
1987 … ik = 69 is = 1 idiag = 20 dE(Ry) = 0.000003204297107 residual = 0.001823225668980
1988 … ik = 69 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.001823222853223
1989 … ik = 69 is = 1 idiag = 22 dE(Ry) = 0.000000043547271 residual = 0.000278664276928
1990 … ik = 69 is = 1 idiag = 23 dE(Ry) = 0.000000001585409 residual = 0.000058157869246
1991 … ik = 69 is = 1 idiag = 24 dE(Ry) = 0.000000000063074 residual = 0.000017932262366
1992 … ik = 69 is = 1 idiag = 25 dE(Ry) = 0.000000000005691 residual = 0.000004574621507
1993 … ik = 69 is = 1 idiag = 26 dE(Ry) = 0.000000000000378 residual = 0.000000903310944
1994 … ik = 69 is = 1 idiag = 27 dE(Ry) = 0.000000000000025 residual = 0.000000291494445
1995 … ik = 69 is = 1 idiag = 28 dE(Ry) = 0.000000000000016 residual = 0.000000123944341
1996 … ik = 69 is = 1 idiag = 29 dE(Ry) = 0.000000000000018 residual = 0.000000047167603
1997 … ik = 70 is = 1 idiag = 1 dE(Ry) = 241.092664076395181 residual = 262.490940705982780
1998 … ik = 70 is = 1 idiag = 2 dE(Ry) = 53.797588824461911 residual = 70.871514550084541
1999 … ik = 70 is = 1 idiag = 3 dE(Ry) = 71.633579415563020 residual = 83.274597958455232
2000 … ik = 70 is = 1 idiag = 4 dE(Ry) = 48.192075416669937 residual = 55.848971473848522
2001 … ik = 70 is = 1 idiag = 5 dE(Ry) = 30.347771713358469 residual = 34.954545432488068
2002 … ik = 70 is = 1 idiag = 6 dE(Ry) = 18.301827739483272 residual = 21.185651397919454
2003 … ik = 70 is = 1 idiag = 7 dE(Ry) = 10.821410156307815 residual = 12.444134891693649
2004 … ik = 70 is = 1 idiag = 8 dE(Ry) = 5.762747725215459 residual = 7.718293606981577
2005 … ik = 70 is = 1 idiag = 9 dE(Ry) = 6.130087254429101 residual = 8.920197412138155
2006 … ik = 70 is = 1 idiag = 10 dE(Ry) = 3.527530859532691 residual = 5.377835518971130
2007 … ik = 70 is = 1 idiag = 11 dE(Ry) = 3.266322971531328 residual = 5.059335792252889
2008 … ik = 70 is = 1 idiag = 12 dE(Ry) = 1.438793408184977 residual = 2.079115729795835
2009 … ik = 70 is = 1 idiag = 13 dE(Ry) = 0.306744187673582 residual = 2.823686175952035
2010 … ik = 70 is = 1 idiag = 14 dE(Ry) = 0.544111104781419 residual = 3.364768017595977
2011 … ik = 70 is = 1 idiag = 15 dE(Ry) = 0.505467703913810 residual = 1.106503931929350
2012 … ik = 70 is = 1 idiag = 16 dE(Ry) = 0.403661797034276 residual = 1.753511250968043
2013 … ik = 70 is = 1 idiag = 17 dE(Ry) = 0.038830313871502 residual = 0.351400872767887
2014 … ik = 70 is = 1 idiag = 18 dE(Ry) = 0.002197409529380 residual = 0.069681283472557
2015 … ik = 70 is = 1 idiag = 19 dE(Ry) = 0.000083140963650 residual = 0.012414222599858
2016 … ik = 70 is = 1 idiag = 20 dE(Ry) = 0.000002005421243 residual = 0.001507681496599
2017 … ik = 70 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.001507680162857
2018 … ik = 70 is = 1 idiag = 22 dE(Ry) = 0.000000026979294 residual = 0.000229255438263
2019 … ik = 70 is = 1 idiag = 23 dE(Ry) = 0.000000000895821 residual = 0.000042901939688
2020 … ik = 70 is = 1 idiag = 24 dE(Ry) = 0.000000000032505 residual = 0.000011533514836
2021 … ik = 70 is = 1 idiag = 25 dE(Ry) = 0.000000000002435 residual = 0.000002985993174
2022 … ik = 70 is = 1 idiag = 26 dE(Ry) = 0.000000000000180 residual = 0.000000921729605
2023 … ik = 70 is = 1 idiag = 27 dE(Ry) = 0.000000000000030 residual = 0.000000428018365
2024 … ik = 70 is = 1 idiag = 28 dE(Ry) = 0.000000000000020 residual = 0.000000160163802
2025 … ik = 70 is = 1 idiag = 29 dE(Ry) = 0.000000000000013 residual = 0.000000043706769
2026 … ik = 71 is = 1 idiag = 1 dE(Ry) = 240.766325455798409 residual = 262.252072810628988
2027 … ik = 71 is = 1 idiag = 2 dE(Ry) = 53.750547769510064 residual = 70.762897236365717
2028 … ik = 71 is = 1 idiag = 3 dE(Ry) = 71.737055597892436 residual = 83.641907260103324
2029 … ik = 71 is = 1 idiag = 4 dE(Ry) = 47.948253605270608 residual = 55.361117150330983
2030 … ik = 71 is = 1 idiag = 5 dE(Ry) = 30.607611834601769 residual = 35.251212114613331
2031 … ik = 71 is = 1 idiag = 6 dE(Ry) = 18.257541776083237 residual = 21.071916645767462
2032 … ik = 71 is = 1 idiag = 7 dE(Ry) = 10.535532268815421 residual = 12.162023451496621
2033 … ik = 71 is = 1 idiag = 8 dE(Ry) = 6.263062667647425 residual = 9.193386921301979
2034 … ik = 71 is = 1 idiag = 9 dE(Ry) = 6.001752179266356 residual = 8.642392955558243
2035 … ik = 71 is = 1 idiag = 10 dE(Ry) = 3.742352460246803 residual = 5.304852670754580
2036 … ik = 71 is = 1 idiag = 11 dE(Ry) = 3.246501805632167 residual = 5.040902365340477
2037 … ik = 71 is = 1 idiag = 12 dE(Ry) = 1.153570455742142 residual = 1.718413446736317
2038 … ik = 71 is = 1 idiag = 13 dE(Ry) = 0.271009263968021 residual = 2.812521655186319
2039 … ik = 71 is = 1 idiag = 14 dE(Ry) = 0.586038966649730 residual = 3.124853802280825
2040 … ik = 71 is = 1 idiag = 15 dE(Ry) = 0.465070809679000 residual = 2.644936078323116
2041 … ik = 71 is = 1 idiag = 16 dE(Ry) = 0.487249268336407 residual = 1.079808356536281
2042 … ik = 71 is = 1 idiag = 17 dE(Ry) = 0.018807027692843 residual = 0.170208689745114
2043 … ik = 71 is = 1 idiag = 18 dE(Ry) = 0.000537018357816 residual = 0.030464735427476
2044 … ik = 71 is = 1 idiag = 19 dE(Ry) = 0.000013367551864 residual = 0.003942101007194
2045 … ik = 71 is = 1 idiag = 20 dE(Ry) = 0.000000205967732 residual = 0.000487459494895
2046 … ik = 71 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.000487459459434
2047 … ik = 71 is = 1 idiag = 22 dE(Ry) = 0.000000002832915 residual = 0.000072685830656
2048 … ik = 71 is = 1 idiag = 23 dE(Ry) = 0.000000000091715 residual = 0.000013673907194
2049 … ik = 71 is = 1 idiag = 24 dE(Ry) = 0.000000000003411 residual = 0.000003824601985
2050 … ik = 71 is = 1 idiag = 25 dE(Ry) = 0.000000000000259 residual = 0.000000901181362
2051 … ik = 71 is = 1 idiag = 26 dE(Ry) = 0.000000000000027 residual = 0.000000249344220
2052 … ik = 71 is = 1 idiag = 27 dE(Ry) = 0.000000000000018 residual = 0.000000138874744
2053 … ik = 71 is = 1 idiag = 28 dE(Ry) = 0.000000000000021 residual = 0.000000056419956
2054 … ik = 72 is = 1 idiag = 1 dE(Ry) = 240.755402498693996 residual = 262.376040252511189
2055 … ik = 72 is = 1 idiag = 2 dE(Ry) = 53.671829437229377 residual = 70.687140082505636
2056 … ik = 72 is = 1 idiag = 3 dE(Ry) = 71.551572822445053 residual = 83.395205796360116
2057 … ik = 72 is = 1 idiag = 4 dE(Ry) = 48.348029799078446 residual = 55.732252681339233
2058 … ik = 72 is = 1 idiag = 5 dE(Ry) = 30.515862827979859 residual = 35.064111839078450
2059 … ik = 72 is = 1 idiag = 6 dE(Ry) = 18.412060240888763 residual = 21.274522547348727
2060 … ik = 72 is = 1 idiag = 7 dE(Ry) = 10.353191909804622 residual = 12.120691513594709
2061 … ik = 72 is = 1 idiag = 8 dE(Ry) = 5.559633462692863 residual = 7.756980800971122
2062 … ik = 72 is = 1 idiag = 9 dE(Ry) = 5.987035754114370 residual = 8.818425225025729
2063 … ik = 72 is = 1 idiag = 10 dE(Ry) = 3.604722020477967 residual = 5.427278385756174
2064 … ik = 72 is = 1 idiag = 11 dE(Ry) = 3.279401497798689 residual = 5.096185467851104
2065 … ik = 72 is = 1 idiag = 12 dE(Ry) = 1.129672629630529 residual = 1.703703353420384
2066 … ik = 72 is = 1 idiag = 13 dE(Ry) = 0.274204710516464 residual = 2.792991707054424
2067 … ik = 72 is = 1 idiag = 14 dE(Ry) = 0.572117952517399 residual = 3.312086085589848
2068 … ik = 72 is = 1 idiag = 15 dE(Ry) = 0.394360209797091 residual = 1.111969844313847
2069 … ik = 72 is = 1 idiag = 16 dE(Ry) = 0.403080674481498 residual = 1.250484300894730
2070 … ik = 72 is = 1 idiag = 17 dE(Ry) = 0.034742523441643 residual = 0.299437348165899
2071 … ik = 72 is = 1 idiag = 18 dE(Ry) = 0.001643340748447 residual = 0.065468442016801
2072 … ik = 72 is = 1 idiag = 19 dE(Ry) = 0.000073707379578 residual = 0.011302908481368
2073 … ik = 72 is = 1 idiag = 20 dE(Ry) = 0.000001700143503 residual = 0.001295904980862
2074 … ik = 72 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.001295903865623
2075 … ik = 72 is = 1 idiag = 22 dE(Ry) = 0.000000020290453 residual = 0.000189405325001
2076 … ik = 72 is = 1 idiag = 23 dE(Ry) = 0.000000000590971 residual = 0.000033546639940
2077 … ik = 72 is = 1 idiag = 24 dE(Ry) = 0.000000000020691 residual = 0.000008930472861
2078 … ik = 72 is = 1 idiag = 25 dE(Ry) = 0.000000000001496 residual = 0.000002521464080
2079 … ik = 72 is = 1 idiag = 26 dE(Ry) = 0.000000000000130 residual = 0.000000794308581
2080 … ik = 72 is = 1 idiag = 27 dE(Ry) = 0.000000000000022 residual = 0.000000404512280
2081 … ik = 72 is = 1 idiag = 28 dE(Ry) = 0.000000000000014 residual = 0.000000152527603
2082 … ik = 72 is = 1 idiag = 29 dE(Ry) = 0.000000000000019 residual = 0.000000034074566
2083 … ik = 73 is = 1 idiag = 1 dE(Ry) = 240.722309483518757 residual = 262.217609992702421
2084 … ik = 73 is = 1 idiag = 2 dE(Ry) = 53.616208786666419 residual = 70.615278906609305
2085 … ik = 73 is = 1 idiag = 3 dE(Ry) = 71.620710522201961 residual = 83.560912185684828
2086 … ik = 73 is = 1 idiag = 4 dE(Ry) = 48.135897969529040 residual = 55.606957432117191
2087 … ik = 73 is = 1 idiag = 5 dE(Ry) = 30.682994179089278 residual = 35.247311471379703
2088 … ik = 73 is = 1 idiag = 6 dE(Ry) = 18.165151753658449 residual = 21.080099865848442
2089 … ik = 73 is = 1 idiag = 7 dE(Ry) = 10.506798264764711 residual = 12.227038982284091
2090 … ik = 73 is = 1 idiag = 8 dE(Ry) = 5.976966294262422 residual = 8.550570670901534
2091 … ik = 73 is = 1 idiag = 9 dE(Ry) = 6.198696024123601 residual = 8.864736914256417
2092 … ik = 73 is = 1 idiag = 10 dE(Ry) = 3.292334920959593 residual = 5.237144984285575
2093 … ik = 73 is = 1 idiag = 11 dE(Ry) = 3.264672461192836 residual = 5.227000293584082
2094 … ik = 73 is = 1 idiag = 12 dE(Ry) = 1.359737602416450 residual = 2.088162886112643
2095 … ik = 73 is = 1 idiag = 13 dE(Ry) = 0.287318373098228 residual = 2.533580232751804
2096 … ik = 73 is = 1 idiag = 14 dE(Ry) = 0.584659994805954 residual = 3.619623135891518
2097 … ik = 73 is = 1 idiag = 15 dE(Ry) = 0.444579684822778 residual = 4.118856906459997
2098 … ik = 73 is = 1 idiag = 16 dE(Ry) = 0.342048114795396 residual = 0.599420040256658
2099 … ik = 73 is = 1 idiag = 17 dE(Ry) = 0.008929378785179 residual = 0.173849629967675
2100 … ik = 73 is = 1 idiag = 18 dE(Ry) = 0.000506490711383 residual = 0.034245641451013
2101 … ik = 73 is = 1 idiag = 19 dE(Ry) = 0.000016661290189 residual = 0.005383107319108
2102 … ik = 73 is = 1 idiag = 20 dE(Ry) = 0.000000399047468 residual = 0.000700186499668
2103 … ik = 73 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.000700186385957
2104 … ik = 73 is = 1 idiag = 22 dE(Ry) = 0.000000006302531 residual = 0.000110693474966
2105 … ik = 73 is = 1 idiag = 23 dE(Ry) = 0.000000000224057 residual = 0.000020667027640
2106 … ik = 73 is = 1 idiag = 24 dE(Ry) = 0.000000000008057 residual = 0.000005994801991
2107 … ik = 73 is = 1 idiag = 25 dE(Ry) = 0.000000000000672 residual = 0.000001546845526
2108 … ik = 73 is = 1 idiag = 26 dE(Ry) = 0.000000000000056 residual = 0.000000476428734
2109 … ik = 73 is = 1 idiag = 27 dE(Ry) = 0.000000000000016 residual = 0.000000218114025
2110 … ik = 73 is = 1 idiag = 28 dE(Ry) = 0.000000000000017 residual = 0.000000076357157
2111 … ik = 74 is = 1 idiag = 1 dE(Ry) = 241.369313418159749 residual = 262.609246638876130
2112 … ik = 74 is = 1 idiag = 2 dE(Ry) = 53.936210793904962 residual = 70.867978628249190
2113 … ik = 74 is = 1 idiag = 3 dE(Ry) = 71.963744069227374 residual = 83.946244157724223
2114 … ik = 74 is = 1 idiag = 4 dE(Ry) = 48.266590766215586 residual = 55.873997458080147
2115 … ik = 74 is = 1 idiag = 5 dE(Ry) = 30.557009137781151 residual = 35.109291215320908
2116 … ik = 74 is = 1 idiag = 6 dE(Ry) = 18.258928715700115 residual = 21.187350262801150
2117 … ik = 74 is = 1 idiag = 7 dE(Ry) = 10.509391866583160 residual = 12.125128105833035
2118 … ik = 74 is = 1 idiag = 8 dE(Ry) = 6.338404908476822 residual = 8.871289771305181
2119 … ik = 74 is = 1 idiag = 9 dE(Ry) = 6.012867532808393 residual = 8.770744088352229
2120 … ik = 74 is = 1 idiag = 10 dE(Ry) = 3.302379756285261 residual = 5.104723968240092
2121 … ik = 74 is = 1 idiag = 11 dE(Ry) = 3.342332438875802 residual = 5.059130286238665
2122 … ik = 74 is = 1 idiag = 12 dE(Ry) = 1.077389511185322 residual = 1.680767865461612
2123 … ik = 74 is = 1 idiag = 13 dE(Ry) = 0.312169524817931 residual = 2.761545642384657
2124 … ik = 74 is = 1 idiag = 14 dE(Ry) = 0.602770170172039 residual = 3.640273703600451
2125 … ik = 74 is = 1 idiag = 15 dE(Ry) = 0.468380357519034 residual = 2.067674062338751
2126 … ik = 74 is = 1 idiag = 16 dE(Ry) = 0.515361388696840 residual = 0.971884039210888
2127 … ik = 74 is = 1 idiag = 17 dE(Ry) = 0.013595391397515 residual = 0.156786509173155
2128 … ik = 74 is = 1 idiag = 18 dE(Ry) = 0.000446755501733 residual = 0.031745444335374
2129 … ik = 74 is = 1 idiag = 19 dE(Ry) = 0.000014246624073 residual = 0.004141311021244
2130 … ik = 74 is = 1 idiag = 20 dE(Ry) = 0.000000223226665 residual = 0.000522409315053
2131 … ik = 74 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.000522409267361
2132 … ik = 74 is = 1 idiag = 22 dE(Ry) = 0.000000003070540 residual = 0.000076685211771
2133 … ik = 74 is = 1 idiag = 23 dE(Ry) = 0.000000000094121 residual = 0.000013293516706
2134 … ik = 74 is = 1 idiag = 24 dE(Ry) = 0.000000000003286 residual = 0.000003718005280
2135 … ik = 74 is = 1 idiag = 25 dE(Ry) = 0.000000000000233 residual = 0.000000975664152
2136 … ik = 74 is = 1 idiag = 26 dE(Ry) = 0.000000000000027 residual = 0.000000236810946
2137 … ik = 74 is = 1 idiag = 27 dE(Ry) = 0.000000000000013 residual = 0.000000117047390
2138 … ik = 74 is = 1 idiag = 28 dE(Ry) = 0.000000000000018 residual = 0.000000085625538
2139 … ik = 75 is = 1 idiag = 1 dE(Ry) = 240.901408732293106 residual = 262.478179413468411
2140 … ik = 75 is = 1 idiag = 2 dE(Ry) = 54.098416115513601 residual = 71.089076189577781
2141 … ik = 75 is = 1 idiag = 3 dE(Ry) = 71.799634536317512 residual = 83.614229335264014
2142 … ik = 75 is = 1 idiag = 4 dE(Ry) = 48.136577493522736 residual = 55.695503581895331
2143 … ik = 75 is = 1 idiag = 5 dE(Ry) = 30.327485579919014 residual = 34.891692098453113
2144 … ik = 75 is = 1 idiag = 6 dE(Ry) = 18.416304612845209 residual = 21.245208062943664
2145 … ik = 75 is = 1 idiag = 7 dE(Ry) = 10.348494055445753 residual = 12.101472879599983
2146 … ik = 75 is = 1 idiag = 8 dE(Ry) = 5.836118205380361 residual = 8.014217344737443
2147 … ik = 75 is = 1 idiag = 9 dE(Ry) = 6.202466499361234 residual = 8.945429657943125
2148 … ik = 75 is = 1 idiag = 10 dE(Ry) = 3.836939696531197 residual = 5.621950486222228
2149 … ik = 75 is = 1 idiag = 11 dE(Ry) = 3.250429905459582 residual = 4.994340772511635
2150 … ik = 75 is = 1 idiag = 12 dE(Ry) = 1.247534222051947 residual = 1.853449611587979
2151 … ik = 75 is = 1 idiag = 13 dE(Ry) = 0.337646125249902 residual = 2.797311827794474
2152 … ik = 75 is = 1 idiag = 14 dE(Ry) = 0.572623956015468 residual = 3.074367272836572
2153 … ik = 75 is = 1 idiag = 15 dE(Ry) = 0.517664340496146 residual = 2.473855731353456
2154 … ik = 75 is = 1 idiag = 16 dE(Ry) = 0.488927502771040 residual = 0.942713924941948
2155 … ik = 75 is = 1 idiag = 17 dE(Ry) = 0.022326339301197 residual = 0.285629919693635
2156 … ik = 75 is = 1 idiag = 18 dE(Ry) = 0.001240534562061 residual = 0.046091033200684
2157 … ik = 75 is = 1 idiag = 19 dE(Ry) = 0.000030035258103 residual = 0.007300788842387
2158 … ik = 75 is = 1 idiag = 20 dE(Ry) = 0.000000767845603 residual = 0.001111686128844
2159 … ik = 75 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.001111685863667
2160 … ik = 75 is = 1 idiag = 22 dE(Ry) = 0.000000014781906 residual = 0.000173152285988
2161 … ik = 75 is = 1 idiag = 23 dE(Ry) = 0.000000000557606 residual = 0.000044291153396
2162 … ik = 75 is = 1 idiag = 24 dE(Ry) = 0.000000000034806 residual = 0.000011268555114
2163 … ik = 75 is = 1 idiag = 25 dE(Ry) = 0.000000000002022 residual = 0.000002244007784
2164 … ik = 75 is = 1 idiag = 26 dE(Ry) = 0.000000000000106 residual = 0.000000625538460
2165 … ik = 75 is = 1 idiag = 27 dE(Ry) = 0.000000000000017 residual = 0.000000302453755
2166 … ik = 75 is = 1 idiag = 28 dE(Ry) = 0.000000000000013 residual = 0.000000124433104
2167 … ik = 75 is = 1 idiag = 29 dE(Ry) = 0.000000000000013 residual = 0.000000037034248
2168 … ik = 76 is = 1 idiag = 1 dE(Ry) = 241.011194020152629 residual = 262.596826758121267
2169 … ik = 76 is = 1 idiag = 2 dE(Ry) = 53.627134285861615 residual = 70.820303028346828
2170 … ik = 76 is = 1 idiag = 3 dE(Ry) = 71.750369954326629 residual = 83.589114280396373
2171 … ik = 76 is = 1 idiag = 4 dE(Ry) = 48.368317308547020 residual = 55.910500024741822
2172 … ik = 76 is = 1 idiag = 5 dE(Ry) = 30.590106796745886 residual = 35.071881191862474
2173 … ik = 76 is = 1 idiag = 6 dE(Ry) = 18.201893605137368 residual = 21.134213500495932
2174 … ik = 76 is = 1 idiag = 7 dE(Ry) = 10.506529815760715 residual = 12.127833380218751
2175 … ik = 76 is = 1 idiag = 8 dE(Ry) = 6.546223257159279 residual = 9.291001774762609
2176 … ik = 76 is = 1 idiag = 9 dE(Ry) = 6.120546335812056 residual = 9.045212036085166
2177 … ik = 76 is = 1 idiag = 10 dE(Ry) = 3.300647486031371 residual = 5.136227606605154
2178 … ik = 76 is = 1 idiag = 11 dE(Ry) = 3.202654204219305 residual = 5.078935965680758
2179 … ik = 76 is = 1 idiag = 12 dE(Ry) = 1.165241341606297 residual = 1.799261121066013
2180 … ik = 76 is = 1 idiag = 13 dE(Ry) = 0.286797603630402 residual = 2.919736457078815
2181 … ik = 76 is = 1 idiag = 14 dE(Ry) = 0.574915696511616 residual = 3.517583137114127
2182 … ik = 76 is = 1 idiag = 15 dE(Ry) = 0.592203645829564 residual = 4.371406945710174
2183 … ik = 76 is = 1 idiag = 16 dE(Ry) = 0.459139923982612 residual = 0.795121939122033
2184 … ik = 76 is = 1 idiag = 17 dE(Ry) = 0.016291811604801 residual = 0.210928878416833
2185 … ik = 76 is = 1 idiag = 18 dE(Ry) = 0.000722657707303 residual = 0.040670839849792
2186 … ik = 76 is = 1 idiag = 19 dE(Ry) = 0.000028150683940 residual = 0.007167466862210
2187 … ik = 76 is = 1 idiag = 20 dE(Ry) = 0.000000781679085 residual = 0.000981426016326
2188 … ik = 76 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.000981425705033
2189 … ik = 76 is = 1 idiag = 22 dE(Ry) = 0.000000012027813 residual = 0.000152230738073
2190 … ik = 76 is = 1 idiag = 23 dE(Ry) = 0.000000000389799 residual = 0.000027036284111
2191 … ik = 76 is = 1 idiag = 24 dE(Ry) = 0.000000000015275 residual = 0.000008513258139
2192 … ik = 76 is = 1 idiag = 25 dE(Ry) = 0.000000000001241 residual = 0.000002035292319
2193 … ik = 76 is = 1 idiag = 26 dE(Ry) = 0.000000000000088 residual = 0.000000453337212
2194 … ik = 76 is = 1 idiag = 27 dE(Ry) = 0.000000000000020 residual = 0.000000156513033
2195 … ik = 76 is = 1 idiag = 28 dE(Ry) = 0.000000000000011 residual = 0.000000064746443
2196 … ik = 77 is = 1 idiag = 1 dE(Ry) = 240.768393498428736 residual = 262.221853778162654
2197 … ik = 77 is = 1 idiag = 2 dE(Ry) = 53.871454497884969 residual = 70.954442133960228
2198 … ik = 77 is = 1 idiag = 3 dE(Ry) = 71.732381406040247 residual = 83.643254431830513
2199 … ik = 77 is = 1 idiag = 4 dE(Ry) = 48.092195981378083 residual = 55.749520628278262
2200 … ik = 77 is = 1 idiag = 5 dE(Ry) = 30.626898982546862 residual = 35.197292105238127
2201 … ik = 77 is = 1 idiag = 6 dE(Ry) = 18.319622746917190 residual = 21.256680244952815
2202 … ik = 77 is = 1 idiag = 7 dE(Ry) = 10.751201860878398 residual = 12.507553322471775
2203 … ik = 77 is = 1 idiag = 8 dE(Ry) = 5.838085896710075 residual = 8.303878437645091
2204 … ik = 77 is = 1 idiag = 9 dE(Ry) = 6.736912629587761 residual = 9.183827760513809
2205 … ik = 77 is = 1 idiag = 10 dE(Ry) = 4.176877698793900 residual = 5.965335106691868
2206 … ik = 77 is = 1 idiag = 11 dE(Ry) = 3.149674690584663 residual = 5.079364347442612
2207 … ik = 77 is = 1 idiag = 12 dE(Ry) = 1.234072498823117 residual = 1.767105320492776
2208 … ik = 77 is = 1 idiag = 13 dE(Ry) = 0.373437143585074 residual = 2.779939446070601
2209 … ik = 77 is = 1 idiag = 14 dE(Ry) = 0.580543522397462 residual = 3.734161576764164
2210 … ik = 77 is = 1 idiag = 15 dE(Ry) = 0.410517826692655 residual = 4.379307835945323
2211 … ik = 77 is = 1 idiag = 16 dE(Ry) = 0.296337976468513 residual = 0.589592844362331
2212 … ik = 77 is = 1 idiag = 17 dE(Ry) = 0.006184294084032 residual = 0.144262787210083
2213 … ik = 77 is = 1 idiag = 18 dE(Ry) = 0.000388740534589 residual = 0.027945715557949
2214 … ik = 77 is = 1 idiag = 19 dE(Ry) = 0.000012161851492 residual = 0.004119594357756
2215 … ik = 77 is = 1 idiag = 20 dE(Ry) = 0.000000230513004 residual = 0.000504290889788
2216 … ik = 77 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.000504290837104
2217 … ik = 77 is = 1 idiag = 22 dE(Ry) = 0.000000003030927 residual = 0.000076985074578
2218 … ik = 77 is = 1 idiag = 23 dE(Ry) = 0.000000000098934 residual = 0.000014295540884
2219 … ik = 77 is = 1 idiag = 24 dE(Ry) = 0.000000000003646 residual = 0.000003431931600
2220 … ik = 77 is = 1 idiag = 25 dE(Ry) = 0.000000000000217 residual = 0.000000919338680
2221 … ik = 77 is = 1 idiag = 26 dE(Ry) = 0.000000000000026 residual = 0.000000276281121
2222 … ik = 77 is = 1 idiag = 27 dE(Ry) = 0.000000000000016 residual = 0.000000137941137
2223 … ik = 77 is = 1 idiag = 28 dE(Ry) = 0.000000000000013 residual = 0.000000047892657
2224 … ik = 78 is = 1 idiag = 1 dE(Ry) = 240.850690800236066 residual = 262.225671467807160
2225 … ik = 78 is = 1 idiag = 2 dE(Ry) = 53.846703142527161 residual = 70.780031113832081
2226 … ik = 78 is = 1 idiag = 3 dE(Ry) = 71.669673602742535 residual = 83.543350579202539
2227 … ik = 78 is = 1 idiag = 4 dE(Ry) = 47.776357188498466 residual = 55.337542868665246
2228 … ik = 78 is = 1 idiag = 5 dE(Ry) = 30.796564229766453 residual = 35.413342218891600
2229 … ik = 78 is = 1 idiag = 6 dE(Ry) = 18.315075967484571 residual = 21.208954109898006
2230 … ik = 78 is = 1 idiag = 7 dE(Ry) = 10.340053483735842 residual = 12.102300907159879
2231 … ik = 78 is = 1 idiag = 8 dE(Ry) = 6.283285728648869 residual = 8.799856534734960
2232 … ik = 78 is = 1 idiag = 9 dE(Ry) = 5.887242767103585 residual = 8.616749001197325
2233 … ik = 78 is = 1 idiag = 10 dE(Ry) = 4.231188840458933 residual = 5.953172274828621
2234 … ik = 78 is = 1 idiag = 11 dE(Ry) = 3.361302295465609 residual = 5.118989624747997
2235 … ik = 78 is = 1 idiag = 12 dE(Ry) = 1.142163352334939 residual = 1.715563113368246
2236 … ik = 78 is = 1 idiag = 13 dE(Ry) = 0.268477304735895 residual = 2.601333664599171
2237 … ik = 78 is = 1 idiag = 14 dE(Ry) = 0.579756072496239 residual = 3.569744269836880
2238 … ik = 78 is = 1 idiag = 15 dE(Ry) = 0.511623680047046 residual = 1.265974741759799
2239 … ik = 78 is = 1 idiag = 16 dE(Ry) = 0.507914005126153 residual = 0.687635586980656
2240 … ik = 78 is = 1 idiag = 17 dE(Ry) = 0.014271028218099 residual = 0.194652569410738
2241 … ik = 78 is = 1 idiag = 18 dE(Ry) = 0.000604441298920 residual = 0.039808910060326
2242 … ik = 78 is = 1 idiag = 19 dE(Ry) = 0.000025079490553 residual = 0.006554337581663
2243 … ik = 78 is = 1 idiag = 20 dE(Ry) = 0.000000600996856 residual = 0.000801200190843
2244 … ik = 78 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.000801199965432
2245 … ik = 78 is = 1 idiag = 22 dE(Ry) = 0.000000007630218 residual = 0.000119324906967
2246 … ik = 78 is = 1 idiag = 23 dE(Ry) = 0.000000000230607 residual = 0.000020362398629
2247 … ik = 78 is = 1 idiag = 24 dE(Ry) = 0.000000000007861 residual = 0.000005867885239
2248 … ik = 78 is = 1 idiag = 25 dE(Ry) = 0.000000000000621 residual = 0.000001564954931
2249 … ik = 78 is = 1 idiag = 26 dE(Ry) = 0.000000000000056 residual = 0.000000391503575
2250 … ik = 78 is = 1 idiag = 27 dE(Ry) = 0.000000000000016 residual = 0.000000166148366
2251 … ik = 78 is = 1 idiag = 28 dE(Ry) = 0.000000000000020 residual = 0.000000063583475
2252 … ik = 79 is = 1 idiag = 1 dE(Ry) = 240.788914615653880 residual = 262.310379446261663
2253 … ik = 79 is = 1 idiag = 2 dE(Ry) = 53.565068585594958 residual = 70.702575604977042
2254 … ik = 79 is = 1 idiag = 3 dE(Ry) = 71.705925949106728 residual = 83.421037153415256
2255 … ik = 79 is = 1 idiag = 4 dE(Ry) = 47.777480736872988 residual = 55.312153336457015
2256 … ik = 79 is = 1 idiag = 5 dE(Ry) = 30.279134853411023 residual = 34.957966235753958
2257 … ik = 79 is = 1 idiag = 6 dE(Ry) = 18.770422173013664 residual = 21.592120613537546
2258 … ik = 79 is = 1 idiag = 7 dE(Ry) = 10.617028761595900 residual = 12.348514505851819
2259 … ik = 79 is = 1 idiag = 8 dE(Ry) = 5.893105873381881 residual = 8.469347933729495
2260 … ik = 79 is = 1 idiag = 9 dE(Ry) = 5.913781920875916 residual = 8.586142155631102
2261 … ik = 79 is = 1 idiag = 10 dE(Ry) = 3.567091080800731 residual = 5.320910513342523
2262 … ik = 79 is = 1 idiag = 11 dE(Ry) = 3.275765882816962 residual = 5.212843268913826
2263 … ik = 79 is = 1 idiag = 12 dE(Ry) = 1.284500747334284 residual = 1.921160402132618
2264 … ik = 79 is = 1 idiag = 13 dE(Ry) = 0.308338592017959 residual = 2.872945579248114
2265 … ik = 79 is = 1 idiag = 14 dE(Ry) = 0.618392880354304 residual = 4.150257736790032
2266 … ik = 79 is = 1 idiag = 15 dE(Ry) = 0.544464156386642 residual = 3.781459480878639
2267 … ik = 79 is = 1 idiag = 16 dE(Ry) = 0.258865164536878 residual = 0.515588409120970
2268 … ik = 79 is = 1 idiag = 17 dE(Ry) = 0.003692079097782 residual = 0.087745932801348
2269 … ik = 79 is = 1 idiag = 18 dE(Ry) = 0.000136460897580 residual = 0.014978042242747
2270 … ik = 79 is = 1 idiag = 19 dE(Ry) = 0.000003850981041 residual = 0.002548468955300
2271 … ik = 79 is = 1 idiag = 20 dE(Ry) = 0.000000093196730 residual = 0.000361920339209
2272 … ik = 79 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.000361920327209
2273 … ik = 79 is = 1 idiag = 22 dE(Ry) = 0.000000001542487 residual = 0.000054502521808
2274 … ik = 79 is = 1 idiag = 23 dE(Ry) = 0.000000000054152 residual = 0.000010800842097
2275 … ik = 79 is = 1 idiag = 24 dE(Ry) = 0.000000000002402 residual = 0.000003365749581
2276 … ik = 79 is = 1 idiag = 25 dE(Ry) = 0.000000000000211 residual = 0.000000865148250
2277 … ik = 79 is = 1 idiag = 26 dE(Ry) = 0.000000000000021 residual = 0.000000208359398
2278 … ik = 79 is = 1 idiag = 27 dE(Ry) = 0.000000000000015 residual = 0.000000088699494
2279 … ik = 80 is = 1 idiag = 1 dE(Ry) = 240.459847553457593 residual = 262.030110978882249
2280 … ik = 80 is = 1 idiag = 2 dE(Ry) = 53.629584457988045 residual = 70.882972992116024
2281 … ik = 80 is = 1 idiag = 3 dE(Ry) = 71.926761856747220 residual = 83.661602052366149
2282 … ik = 80 is = 1 idiag = 4 dE(Ry) = 47.776149215513172 residual = 55.447740109895520
2283 … ik = 80 is = 1 idiag = 5 dE(Ry) = 30.453811527772785 residual = 35.123216553358162
2284 … ik = 80 is = 1 idiag = 6 dE(Ry) = 18.341504522503321 residual = 21.215927321081821
2285 … ik = 80 is = 1 idiag = 7 dE(Ry) = 10.655731345497809 residual = 12.272781312863556
2286 … ik = 80 is = 1 idiag = 8 dE(Ry) = 6.054488331878501 residual = 8.842236719216508
2287 … ik = 80 is = 1 idiag = 9 dE(Ry) = 5.966649873706745 residual = 8.509527546719269
2288 … ik = 80 is = 1 idiag = 10 dE(Ry) = 3.304655846521298 residual = 4.805910367691740
2289 … ik = 80 is = 1 idiag = 11 dE(Ry) = 3.231489017670866 residual = 5.224544829190721
2290 … ik = 80 is = 1 idiag = 12 dE(Ry) = 1.290688780412814 residual = 1.973645780432630
2291 … ik = 80 is = 1 idiag = 13 dE(Ry) = 0.414173004148704 residual = 2.875130586733787
2292 … ik = 80 is = 1 idiag = 14 dE(Ry) = 0.592806244383224 residual = 3.699263495068678
2293 … ik = 80 is = 1 idiag = 15 dE(Ry) = 0.457150179863226 residual = 4.090241561197849
2294 … ik = 80 is = 1 idiag = 16 dE(Ry) = 0.320864394705590 residual = 0.526205453106664
2295 … ik = 80 is = 1 idiag = 17 dE(Ry) = 0.006219005799352 residual = 0.124713528866789
2296 … ik = 80 is = 1 idiag = 18 dE(Ry) = 0.000275733653466 residual = 0.023701420106371
2297 … ik = 80 is = 1 idiag = 19 dE(Ry) = 0.000009100196935 residual = 0.003644824097014
2298 … ik = 80 is = 1 idiag = 20 dE(Ry) = 0.000000202653893 residual = 0.000494671926141
2299 … ik = 80 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.000494671884630
2300 … ik = 80 is = 1 idiag = 22 dE(Ry) = 0.000000002994146 residual = 0.000071493342746
2301 … ik = 80 is = 1 idiag = 23 dE(Ry) = 0.000000000094235 residual = 0.000014212238954
2302 … ik = 80 is = 1 idiag = 24 dE(Ry) = 0.000000000003791 residual = 0.000004300493823
2303 … ik = 80 is = 1 idiag = 25 dE(Ry) = 0.000000000000326 residual = 0.000001113636322
2304 … ik = 80 is = 1 idiag = 26 dE(Ry) = 0.000000000000028 residual = 0.000000291223933
2305 … ik = 80 is = 1 idiag = 27 dE(Ry) = 0.000000000000017 residual = 0.000000147031150
2306 … ik = 80 is = 1 idiag = 28 dE(Ry) = 0.000000000000016 residual = 0.000000061136067
2307 … ik = 81 is = 1 idiag = 1 dE(Ry) = 240.191192687422898 residual = 261.811328870937984
2308 … ik = 81 is = 1 idiag = 2 dE(Ry) = 53.775983349223765 residual = 70.670219011001294
2309 … ik = 81 is = 1 idiag = 3 dE(Ry) = 71.659073931207928 residual = 83.548332982109301
2310 … ik = 81 is = 1 idiag = 4 dE(Ry) = 47.919566916979832 residual = 55.427245802038556
2311 … ik = 81 is = 1 idiag = 5 dE(Ry) = 30.503388287173522 residual = 35.310293627941945
2312 … ik = 81 is = 1 idiag = 6 dE(Ry) = 18.580933848479141 residual = 21.378551108486750
2313 … ik = 81 is = 1 idiag = 7 dE(Ry) = 10.628420584939743 residual = 12.298807377344183
2314 … ik = 81 is = 1 idiag = 8 dE(Ry) = 5.689554625026307 residual = 7.278778364731882
2315 … ik = 81 is = 1 idiag = 9 dE(Ry) = 6.006407142557956 residual = 8.789809774212916
2316 … ik = 81 is = 1 idiag = 10 dE(Ry) = 4.628628415605213 residual = 6.684979445096488
2317 … ik = 81 is = 1 idiag = 11 dE(Ry) = 3.211558085169347 residual = 5.063201022968079
2318 … ik = 81 is = 1 idiag = 12 dE(Ry) = 1.274740175322060 residual = 1.896186967666774
2319 … ik = 81 is = 1 idiag = 13 dE(Ry) = 0.389677827615701 residual = 2.814506178223696
2320 … ik = 81 is = 1 idiag = 14 dE(Ry) = 0.604733984334227 residual = 4.105038440730077
2321 … ik = 81 is = 1 idiag = 15 dE(Ry) = 0.565496633214578 residual = 4.132133485666381
2322 … ik = 81 is = 1 idiag = 16 dE(Ry) = 0.322278204524481 residual = 0.450323530729493
2323 … ik = 81 is = 1 idiag = 17 dE(Ry) = 0.003960209438310 residual = 0.109397453366464
2324 … ik = 81 is = 1 idiag = 18 dE(Ry) = 0.000207841747667 residual = 0.020327752444245
2325 … ik = 81 is = 1 idiag = 19 dE(Ry) = 0.000006204283617 residual = 0.003093523253671
2326 … ik = 81 is = 1 idiag = 20 dE(Ry) = 0.000000130946545 residual = 0.000398093142711
2327 … ik = 81 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.000398093121175
2328 … ik = 81 is = 1 idiag = 22 dE(Ry) = 0.000000001876086 residual = 0.000064959195840
2329 … ik = 81 is = 1 idiag = 23 dE(Ry) = 0.000000000063216 residual = 0.000011358908176
2330 … ik = 81 is = 1 idiag = 24 dE(Ry) = 0.000000000002189 residual = 0.000002769419234
2331 … ik = 81 is = 1 idiag = 25 dE(Ry) = 0.000000000000150 residual = 0.000000795006247
2332 … ik = 81 is = 1 idiag = 26 dE(Ry) = 0.000000000000019 residual = 0.000000193763300
2333 … ik = 81 is = 1 idiag = 27 dE(Ry) = 0.000000000000018 residual = 0.000000079575363
2334 … ik = 82 is = 1 idiag = 1 dE(Ry) = 240.715370998039305 residual = 262.214514675994792
2335 … ik = 82 is = 1 idiag = 2 dE(Ry) = 53.484568780923183 residual = 70.635680982608633
2336 … ik = 82 is = 1 idiag = 3 dE(Ry) = 71.382993125405449 residual = 83.119953711150742
2337 … ik = 82 is = 1 idiag = 4 dE(Ry) = 47.991326664572526 residual = 55.545695261862768
2338 … ik = 82 is = 1 idiag = 5 dE(Ry) = 30.436455936542288 residual = 35.112756992224234
2339 … ik = 82 is = 1 idiag = 6 dE(Ry) = 18.152599980803039 residual = 20.990257347429651
2340 … ik = 82 is = 1 idiag = 7 dE(Ry) = 10.631210577851112 residual = 12.381771452969620
2341 … ik = 82 is = 1 idiag = 8 dE(Ry) = 6.557573071372505 residual = 9.297524478070201
2342 … ik = 82 is = 1 idiag = 9 dE(Ry) = 6.317756065914484 residual = 9.014032845498045
2343 … ik = 82 is = 1 idiag = 10 dE(Ry) = 3.251046552830614 residual = 4.987551833636522
2344 … ik = 82 is = 1 idiag = 11 dE(Ry) = 3.284130460135877 residual = 5.151480435731817
2345 … ik = 82 is = 1 idiag = 12 dE(Ry) = 1.321430053829857 residual = 1.938380296951173
2346 … ik = 82 is = 1 idiag = 13 dE(Ry) = 0.303755765947758 residual = 2.787045153970155
2347 … ik = 82 is = 1 idiag = 14 dE(Ry) = 0.616576060286960 residual = 3.844977591245159
2348 … ik = 82 is = 1 idiag = 15 dE(Ry) = 0.480416841480255 residual = 3.593780537205321
2349 … ik = 82 is = 1 idiag = 16 dE(Ry) = 0.286415710161547 residual = 0.537201278207672
2350 … ik = 82 is = 1 idiag = 17 dE(Ry) = 0.004224514699968 residual = 0.095868371376564
2351 … ik = 82 is = 1 idiag = 18 dE(Ry) = 0.000170191327591 residual = 0.017846806026504
2352 … ik = 82 is = 1 idiag = 19 dE(Ry) = 0.000005344435226 residual = 0.002697967304415
2353 … ik = 82 is = 1 idiag = 20 dE(Ry) = 0.000000095047020 residual = 0.000331899872752
2354 … ik = 82 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.000331899859143
2355 … ik = 82 is = 1 idiag = 22 dE(Ry) = 0.000000001316681 residual = 0.000051912450169
2356 … ik = 82 is = 1 idiag = 23 dE(Ry) = 0.000000000043847 residual = 0.000008322978475
2357 … ik = 82 is = 1 idiag = 24 dE(Ry) = 0.000000000001322 residual = 0.000002274992319
2358 … ik = 82 is = 1 idiag = 25 dE(Ry) = 0.000000000000111 residual = 0.000000667655153
2359 … ik = 82 is = 1 idiag = 26 dE(Ry) = 0.000000000000015 residual = 0.000000236118227
2360 … ik = 82 is = 1 idiag = 27 dE(Ry) = 0.000000000000013 residual = 0.000000114047149
2361 … ik = 82 is = 1 idiag = 28 dE(Ry) = 0.000000000000012 residual = 0.000000067384117
2362 … ik = 83 is = 1 idiag = 1 dE(Ry) = 240.357806047176211 residual = 261.773231320479056
2363 … ik = 83 is = 1 idiag = 2 dE(Ry) = 53.611638138921592 residual = 70.575278366092903
2364 … ik = 83 is = 1 idiag = 3 dE(Ry) = 71.559927001385745 residual = 83.201129474426025
2365 … ik = 83 is = 1 idiag = 4 dE(Ry) = 47.912547140437582 residual = 55.208048116737892
2366 … ik = 83 is = 1 idiag = 5 dE(Ry) = 30.430850992230731 residual = 35.106275750292077
2367 … ik = 83 is = 1 idiag = 6 dE(Ry) = 18.554870249253003 residual = 21.360489370857337
2368 … ik = 83 is = 1 idiag = 7 dE(Ry) = 10.567588027274766 residual = 12.262593839045072
2369 … ik = 83 is = 1 idiag = 8 dE(Ry) = 5.671921503211829 residual = 8.199407697405823
2370 … ik = 83 is = 1 idiag = 9 dE(Ry) = 6.640409822817118 residual = 9.170025807837032
2371 … ik = 83 is = 1 idiag = 10 dE(Ry) = 3.346321768595087 residual = 5.152863213227604
2372 … ik = 83 is = 1 idiag = 11 dE(Ry) = 3.232469177927193 residual = 5.099432593238446
2373 … ik = 83 is = 1 idiag = 12 dE(Ry) = 1.693549809328994 residual = 2.336773553489465
2374 … ik = 83 is = 1 idiag = 13 dE(Ry) = 0.318234725632495 residual = 2.841336151981757
2375 … ik = 83 is = 1 idiag = 14 dE(Ry) = 0.598007104231803 residual = 4.064192540266546
2376 … ik = 83 is = 1 idiag = 15 dE(Ry) = 0.557734801142023 residual = 3.925312687581962
2377 … ik = 83 is = 1 idiag = 16 dE(Ry) = 0.270092639978253 residual = 0.568234046808957
2378 … ik = 83 is = 1 idiag = 17 dE(Ry) = 0.005570695592689 residual = 0.120102491862926
2379 … ik = 83 is = 1 idiag = 18 dE(Ry) = 0.000274913000240 residual = 0.023200679693758
2380 … ik = 83 is = 1 idiag = 19 dE(Ry) = 0.000007885754818 residual = 0.003481156052951
2381 … ik = 83 is = 1 idiag = 20 dE(Ry) = 0.000000171213294 residual = 0.000403862813353
2382 … ik = 83 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.000403862777061
2383 … ik = 83 is = 1 idiag = 22 dE(Ry) = 0.000000002176099 residual = 0.000060765023648
2384 … ik = 83 is = 1 idiag = 23 dE(Ry) = 0.000000000070964 residual = 0.000010950267517
2385 … ik = 83 is = 1 idiag = 24 dE(Ry) = 0.000000000002349 residual = 0.000003149485595
2386 … ik = 83 is = 1 idiag = 25 dE(Ry) = 0.000000000000200 residual = 0.000001022110331
2387 … ik = 83 is = 1 idiag = 26 dE(Ry) = 0.000000000000030 residual = 0.000000428054964
2388 … ik = 83 is = 1 idiag = 27 dE(Ry) = 0.000000000000020 residual = 0.000000206060279
2389 … ik = 83 is = 1 idiag = 28 dE(Ry) = 0.000000000000018 residual = 0.000000062571850
2390 … ik = 84 is = 1 idiag = 1 dE(Ry) = 240.746988110023892 residual = 262.331283217172995
2391 … ik = 84 is = 1 idiag = 2 dE(Ry) = 53.714482872725597 residual = 70.724543549600668
2392 … ik = 84 is = 1 idiag = 3 dE(Ry) = 71.551142936889335 residual = 83.416058056560459
2393 … ik = 84 is = 1 idiag = 4 dE(Ry) = 48.122423703367062 residual = 55.581754891638440
2394 … ik = 84 is = 1 idiag = 5 dE(Ry) = 30.505294005002455 residual = 35.107708974483941
2395 … ik = 84 is = 1 idiag = 6 dE(Ry) = 18.131116756346113 residual = 20.970524360966078
2396 … ik = 84 is = 1 idiag = 7 dE(Ry) = 10.551018521748796 residual = 12.241252931528681
2397 … ik = 84 is = 1 idiag = 8 dE(Ry) = 5.860332405128339 residual = 8.008041400720224
2398 … ik = 84 is = 1 idiag = 9 dE(Ry) = 6.261419422870297 residual = 8.948819030230974
2399 … ik = 84 is = 1 idiag = 10 dE(Ry) = 3.613247621993429 residual = 5.441813475904715
2400 … ik = 84 is = 1 idiag = 11 dE(Ry) = 3.383741049328601 residual = 5.114739451318772
2401 … ik = 84 is = 1 idiag = 12 dE(Ry) = 1.044693258165171 residual = 1.694256442308837
2402 … ik = 84 is = 1 idiag = 13 dE(Ry) = 0.372765567870675 residual = 2.838381511001623
2403 … ik = 84 is = 1 idiag = 14 dE(Ry) = 0.590651797553529 residual = 3.715676579796939
2404 … ik = 84 is = 1 idiag = 15 dE(Ry) = 0.461591867004250 residual = 4.267630745350331
2405 … ik = 84 is = 1 idiag = 16 dE(Ry) = 0.375970938868706 residual = 0.649381096873385
2406 … ik = 84 is = 1 idiag = 17 dE(Ry) = 0.004910252599972 residual = 0.107453264094941
2407 … ik = 84 is = 1 idiag = 18 dE(Ry) = 0.000213291014587 residual = 0.021381444867602
2408 … ik = 84 is = 1 idiag = 19 dE(Ry) = 0.000007830940703 residual = 0.003496380279065
2409 … ik = 84 is = 1 idiag = 20 dE(Ry) = 0.000000168204504 residual = 0.000445305899759
2410 … ik = 84 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.000445305867991
2411 … ik = 84 is = 1 idiag = 22 dE(Ry) = 0.000000002387724 residual = 0.000069088894254
2412 … ik = 84 is = 1 idiag = 23 dE(Ry) = 0.000000000077459 residual = 0.000010964723563
2413 … ik = 84 is = 1 idiag = 24 dE(Ry) = 0.000000000002525 residual = 0.000003149626676
2414 … ik = 84 is = 1 idiag = 25 dE(Ry) = 0.000000000000201 residual = 0.000000831486567
2415 … ik = 84 is = 1 idiag = 26 dE(Ry) = 0.000000000000029 residual = 0.000000230276883
2416 … ik = 84 is = 1 idiag = 27 dE(Ry) = 0.000000000000014 residual = 0.000000106113330
2417 … ik = 84 is = 1 idiag = 28 dE(Ry) = 0.000000000000011 residual = 0.000000070573572
2418 … ik = 85 is = 1 idiag = 1 dE(Ry) = 241.041314667235326 residual = 262.472441038362206
2419 … ik = 85 is = 1 idiag = 2 dE(Ry) = 54.209978322217410 residual = 71.123325790157239
2420 … ik = 85 is = 1 idiag = 3 dE(Ry) = 71.530017633410381 residual = 83.491711697454747
2421 … ik = 85 is = 1 idiag = 4 dE(Ry) = 48.033530866010693 residual = 55.548787204462144
2422 … ik = 85 is = 1 idiag = 5 dE(Ry) = 30.649073104381131 residual = 35.230211211249042
2423 … ik = 85 is = 1 idiag = 6 dE(Ry) = 18.385843665065707 residual = 21.252082458567454
2424 … ik = 85 is = 1 idiag = 7 dE(Ry) = 10.383133850172213 residual = 12.182268691780072
2425 … ik = 85 is = 1 idiag = 8 dE(Ry) = 5.968546916343546 residual = 8.418965271825952
2426 … ik = 85 is = 1 idiag = 9 dE(Ry) = 5.740368736190998 residual = 8.564603655920775
2427 … ik = 85 is = 1 idiag = 10 dE(Ry) = 4.046118740635249 residual = 6.091866320133052
2428 … ik = 85 is = 1 idiag = 11 dE(Ry) = 3.282240110001550 residual = 5.051994341987958
2429 … ik = 85 is = 1 idiag = 12 dE(Ry) = 1.204572523739011 residual = 1.787744557822779
2430 … ik = 85 is = 1 idiag = 13 dE(Ry) = 0.306484660364747 residual = 2.734448922575021
2431 … ik = 85 is = 1 idiag = 14 dE(Ry) = 0.595861112418321 residual = 3.171145055020590
2432 … ik = 85 is = 1 idiag = 15 dE(Ry) = 0.542842888705178 residual = 4.046818676025897
2433 … ik = 85 is = 1 idiag = 16 dE(Ry) = 0.484074016082616 residual = 0.632641285413373
2434 … ik = 85 is = 1 idiag = 17 dE(Ry) = 0.009804870608036 residual = 0.144007537727009
2435 … ik = 85 is = 1 idiag = 18 dE(Ry) = 0.000390843877444 residual = 0.029530372505297
2436 … ik = 85 is = 1 idiag = 19 dE(Ry) = 0.000015312338429 residual = 0.004620023695415
2437 … ik = 85 is = 1 idiag = 20 dE(Ry) = 0.000000298026011 residual = 0.000584344076016
2438 … ik = 85 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.000584344000017
2439 … ik = 85 is = 1 idiag = 22 dE(Ry) = 0.000000004108579 residual = 0.000089160739300
2440 … ik = 85 is = 1 idiag = 23 dE(Ry) = 0.000000000126556 residual = 0.000015584794713
2441 … ik = 85 is = 1 idiag = 24 dE(Ry) = 0.000000000004532 residual = 0.000004219998699
2442 … ik = 85 is = 1 idiag = 25 dE(Ry) = 0.000000000000335 residual = 0.000001193507971
2443 … ik = 85 is = 1 idiag = 26 dE(Ry) = 0.000000000000030 residual = 0.000000389929118
2444 … ik = 85 is = 1 idiag = 27 dE(Ry) = 0.000000000000015 residual = 0.000000204567077
2445 … ik = 85 is = 1 idiag = 28 dE(Ry) = 0.000000000000011 residual = 0.000000069616901
2446 … ik = 86 is = 1 idiag = 1 dE(Ry) = 241.228555437224600 residual = 262.661060060717602
2447 … ik = 86 is = 1 idiag = 2 dE(Ry) = 53.979579557375359 residual = 70.833771998722071
2448 … ik = 86 is = 1 idiag = 3 dE(Ry) = 72.045880159549284 residual = 83.890415526590019
2449 … ik = 86 is = 1 idiag = 4 dE(Ry) = 47.892751648701008 residual = 55.310681751125060
2450 … ik = 86 is = 1 idiag = 5 dE(Ry) = 30.363817803824332 residual = 35.002668155504978
2451 … ik = 86 is = 1 idiag = 6 dE(Ry) = 18.563317732817545 residual = 21.407639429837982
2452 … ik = 86 is = 1 idiag = 7 dE(Ry) = 10.693967872686869 residual = 12.446513184133003
2453 … ik = 86 is = 1 idiag = 8 dE(Ry) = 5.807310750354721 residual = 7.931471822888489
2454 … ik = 86 is = 1 idiag = 9 dE(Ry) = 6.359220366489296 residual = 8.985235897406833
2455 … ik = 86 is = 1 idiag = 10 dE(Ry) = 3.859998904849055 residual = 5.637552301291565
2456 … ik = 86 is = 1 idiag = 11 dE(Ry) = 3.284608225105799 residual = 5.036349649089060
2457 … ik = 86 is = 1 idiag = 12 dE(Ry) = 1.223031461443755 residual = 1.852526823316167
2458 … ik = 86 is = 1 idiag = 13 dE(Ry) = 0.336793141712805 residual = 2.807168036007385
2459 … ik = 86 is = 1 idiag = 14 dE(Ry) = 0.637758673370098 residual = 3.726454722138329
2460 … ik = 86 is = 1 idiag = 15 dE(Ry) = 0.547524788978999 residual = 4.747231393949465
2461 … ik = 86 is = 1 idiag = 16 dE(Ry) = 0.398412296256734 residual = 0.668581685532201
2462 … ik = 86 is = 1 idiag = 17 dE(Ry) = 0.006473212530523 residual = 0.149430528669361
2463 … ik = 86 is = 1 idiag = 18 dE(Ry) = 0.000384499019854 residual = 0.026240212844936
2464 … ik = 86 is = 1 idiag = 19 dE(Ry) = 0.000010266378037 residual = 0.003764263880347
2465 … ik = 86 is = 1 idiag = 20 dE(Ry) = 0.000000206670266 residual = 0.000510622973414
2466 … ik = 86 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.000510622931590
2467 … ik = 86 is = 1 idiag = 22 dE(Ry) = 0.000000003195293 residual = 0.000076312740030
2468 … ik = 86 is = 1 idiag = 23 dE(Ry) = 0.000000000108687 residual = 0.000015210958032
2469 … ik = 86 is = 1 idiag = 24 dE(Ry) = 0.000000000004167 residual = 0.000004668484708
2470 … ik = 86 is = 1 idiag = 25 dE(Ry) = 0.000000000000410 residual = 0.000001179057255
2471 … ik = 86 is = 1 idiag = 26 dE(Ry) = 0.000000000000026 residual = 0.000000326797514
2472 … ik = 86 is = 1 idiag = 27 dE(Ry) = 0.000000000000020 residual = 0.000000189978572
2473 … ik = 86 is = 1 idiag = 28 dE(Ry) = 0.000000000000016 residual = 0.000000063805775
2474 … ik = 87 is = 1 idiag = 1 dE(Ry) = 240.810581316006335 residual = 262.189815712953020
2475 … ik = 87 is = 1 idiag = 2 dE(Ry) = 53.768472915866568 residual = 70.724873682767011
2476 … ik = 87 is = 1 idiag = 3 dE(Ry) = 71.719459449386363 residual = 83.461160238061282
2477 … ik = 87 is = 1 idiag = 4 dE(Ry) = 48.106042306729307 residual = 55.769904661695136
2478 … ik = 87 is = 1 idiag = 5 dE(Ry) = 30.637729750770575 residual = 35.227962769074161
2479 … ik = 87 is = 1 idiag = 6 dE(Ry) = 18.251074772113668 residual = 21.033911483166658
2480 … ik = 87 is = 1 idiag = 7 dE(Ry) = 10.509447012643903 residual = 12.332807651001536
2481 … ik = 87 is = 1 idiag = 8 dE(Ry) = 6.048940294579157 residual = 7.989986175123194
2482 … ik = 87 is = 1 idiag = 9 dE(Ry) = 5.849076930707373 residual = 8.529035329645046
2483 … ik = 87 is = 1 idiag = 10 dE(Ry) = 3.968735021116440 residual = 5.626297340910861
2484 … ik = 87 is = 1 idiag = 11 dE(Ry) = 3.150006236751451 residual = 5.151949029603540
2485 … ik = 87 is = 1 idiag = 12 dE(Ry) = 1.278423908657097 residual = 1.969634317479128
2486 … ik = 87 is = 1 idiag = 13 dE(Ry) = 0.264375384510644 residual = 2.790694265607210
2487 … ik = 87 is = 1 idiag = 14 dE(Ry) = 0.599971993358120 residual = 3.746875163337317
2488 … ik = 87 is = 1 idiag = 15 dE(Ry) = 0.550802338828289 residual = 2.216537743022584
2489 … ik = 87 is = 1 idiag = 16 dE(Ry) = 0.499194473222958 residual = 0.833334271756551
2490 … ik = 87 is = 1 idiag = 17 dE(Ry) = 0.015244825685815 residual = 0.220377731666808
2491 … ik = 87 is = 1 idiag = 18 dE(Ry) = 0.000796360328538 residual = 0.041783111944367
2492 … ik = 87 is = 1 idiag = 19 dE(Ry) = 0.000027588721416 residual = 0.007446217773650
2493 … ik = 87 is = 1 idiag = 20 dE(Ry) = 0.000000777469421 residual = 0.000957592408166
2494 … ik = 87 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.000957592092552
2495 … ik = 87 is = 1 idiag = 22 dE(Ry) = 0.000000010784140 residual = 0.000141542426540
2496 … ik = 87 is = 1 idiag = 23 dE(Ry) = 0.000000000351921 residual = 0.000026421513446
2497 … ik = 87 is = 1 idiag = 24 dE(Ry) = 0.000000000012529 residual = 0.000007037876777
2498 … ik = 87 is = 1 idiag = 25 dE(Ry) = 0.000000000000883 residual = 0.000001771087588
2499 … ik = 87 is = 1 idiag = 26 dE(Ry) = 0.000000000000058 residual = 0.000000508270874
2500 … ik = 87 is = 1 idiag = 27 dE(Ry) = 0.000000000000018 residual = 0.000000227501038
2501 … ik = 87 is = 1 idiag = 28 dE(Ry) = 0.000000000000014 residual = 0.000000094120384
2502 … ik = 88 is = 1 idiag = 1 dE(Ry) = 241.282469567190674 residual = 262.819261832898917
2503 … ik = 88 is = 1 idiag = 2 dE(Ry) = 53.613488639057067 residual = 70.663515757986161
2504 … ik = 88 is = 1 idiag = 3 dE(Ry) = 71.715442356570264 residual = 83.379533890407799
2505 … ik = 88 is = 1 idiag = 4 dE(Ry) = 47.852770474402135 residual = 55.437853601950437
2506 … ik = 88 is = 1 idiag = 5 dE(Ry) = 30.644269102632705 residual = 35.060734166807507
2507 … ik = 88 is = 1 idiag = 6 dE(Ry) = 18.574125589365188 residual = 21.271307510249393
2508 … ik = 88 is = 1 idiag = 7 dE(Ry) = 10.541050560217634 residual = 12.291740675990329
2509 … ik = 88 is = 1 idiag = 8 dE(Ry) = 5.964732961562026 residual = 8.186440020307012
2510 … ik = 88 is = 1 idiag = 9 dE(Ry) = 5.963493012525614 residual = 8.787039819589488
2511 … ik = 88 is = 1 idiag = 10 dE(Ry) = 3.833835919203202 residual = 5.796298236391619
2512 … ik = 88 is = 1 idiag = 11 dE(Ry) = 3.330539449212208 residual = 5.061248915620663
2513 … ik = 88 is = 1 idiag = 12 dE(Ry) = 1.288995511134809 residual = 1.872760094117534
2514 … ik = 88 is = 1 idiag = 13 dE(Ry) = 0.313717817921301 residual = 2.752004320247235
2515 … ik = 88 is = 1 idiag = 14 dE(Ry) = 0.642365828117569 residual = 2.901396776129222
2516 … ik = 88 is = 1 idiag = 15 dE(Ry) = 0.432172634416812 residual = 1.590706117864221
2517 … ik = 88 is = 1 idiag = 16 dE(Ry) = 0.209578519468888 residual = 2.471759893829808
2518 … ik = 88 is = 1 idiag = 17 dE(Ry) = 0.095854269563759 residual = 0.602599004921496
2519 … ik = 88 is = 1 idiag = 18 dE(Ry) = 0.004269339138582 residual = 0.101604867140580
2520 … ik = 88 is = 1 idiag = 19 dE(Ry) = 0.000147919784383 residual = 0.015236214807853
2521 … ik = 88 is = 1 idiag = 20 dE(Ry) = 0.000003263860576 residual = 0.002105702928173
2522 … ik = 88 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.002105700398665
2523 … ik = 88 is = 1 idiag = 22 dE(Ry) = 0.000000051896087 residual = 0.000330469039346
2524 … ik = 88 is = 1 idiag = 23 dE(Ry) = 0.000000001746123 residual = 0.000067648735147
2525 … ik = 88 is = 1 idiag = 24 dE(Ry) = 0.000000000079800 residual = 0.000018604640108
2526 … ik = 88 is = 1 idiag = 25 dE(Ry) = 0.000000000006245 residual = 0.000004123602372
2527 … ik = 88 is = 1 idiag = 26 dE(Ry) = 0.000000000000319 residual = 0.000000973013946
2528 … ik = 88 is = 1 idiag = 27 dE(Ry) = 0.000000000000022 residual = 0.000000509237192
2529 … ik = 88 is = 1 idiag = 28 dE(Ry) = 0.000000000000032 residual = 0.000000213847359
2530 … ik = 88 is = 1 idiag = 29 dE(Ry) = 0.000000000000036 residual = 0.000000066803049
2531 … ik = 89 is = 1 idiag = 1 dE(Ry) = 241.174690450636973 residual = 262.705992594288034
2532 … ik = 89 is = 1 idiag = 2 dE(Ry) = 53.758386359264563 residual = 70.766818910626483
2533 … ik = 89 is = 1 idiag = 3 dE(Ry) = 71.802223496061430 residual = 83.679255873665980
2534 … ik = 89 is = 1 idiag = 4 dE(Ry) = 47.831561076822737 residual = 55.432517892328860
2535 … ik = 89 is = 1 idiag = 5 dE(Ry) = 30.717099148260282 residual = 35.235894924209973
2536 … ik = 89 is = 1 idiag = 6 dE(Ry) = 18.177612815420616 residual = 20.935640245371644
2537 … ik = 89 is = 1 idiag = 7 dE(Ry) = 10.608364124859273 residual = 12.283554258781733
2538 … ik = 89 is = 1 idiag = 8 dE(Ry) = 5.670797436348040 residual = 7.225067127873710
2539 … ik = 89 is = 1 idiag = 9 dE(Ry) = 6.175456610621819 residual = 8.936101238277342
2540 … ik = 89 is = 1 idiag = 10 dE(Ry) = 3.552769957916448 residual = 5.263660723310768
2541 … ik = 89 is = 1 idiag = 11 dE(Ry) = 3.306034224351738 residual = 5.098194658866746
2542 … ik = 89 is = 1 idiag = 12 dE(Ry) = 1.416436446401826 residual = 2.119877658515212
2543 … ik = 89 is = 1 idiag = 13 dE(Ry) = 0.338998591514249 residual = 2.821621525173845
2544 … ik = 89 is = 1 idiag = 14 dE(Ry) = 0.572051273382838 residual = 3.688898977712559
2545 … ik = 89 is = 1 idiag = 15 dE(Ry) = 0.352433720947853 residual = 1.567731254799114
2546 … ik = 89 is = 1 idiag = 16 dE(Ry) = 0.347266505299287 residual = 0.829986579918364
2547 … ik = 89 is = 1 idiag = 17 dE(Ry) = 0.012385372949393 residual = 0.130700789785480
2548 … ik = 89 is = 1 idiag = 18 dE(Ry) = 0.000318505502278 residual = 0.022268245362972
2549 … ik = 89 is = 1 idiag = 19 dE(Ry) = 0.000007026431208 residual = 0.003215398099086
2550 … ik = 89 is = 1 idiag = 20 dE(Ry) = 0.000000143230723 residual = 0.000381661648429
2551 … ik = 89 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.000381661626364
2552 … ik = 89 is = 1 idiag = 22 dE(Ry) = 0.000000001818922 residual = 0.000058235334208
2553 … ik = 89 is = 1 idiag = 23 dE(Ry) = 0.000000000060027 residual = 0.000010369513932
2554 … ik = 89 is = 1 idiag = 24 dE(Ry) = 0.000000000002059 residual = 0.000002948696793
2555 … ik = 89 is = 1 idiag = 25 dE(Ry) = 0.000000000000158 residual = 0.000000764027970
2556 … ik = 89 is = 1 idiag = 26 dE(Ry) = 0.000000000000023 residual = 0.000000249514787
2557 … ik = 89 is = 1 idiag = 27 dE(Ry) = 0.000000000000021 residual = 0.000000130345123
2558 … ik = 89 is = 1 idiag = 28 dE(Ry) = 0.000000000000012 residual = 0.000000065663847
2559 … ik = 90 is = 1 idiag = 1 dE(Ry) = 241.100704064250294 residual = 262.623011527266328
2560 … ik = 90 is = 1 idiag = 2 dE(Ry) = 54.215640399553905 residual = 71.057327756550919
2561 … ik = 90 is = 1 idiag = 3 dE(Ry) = 71.714855469577316 residual = 83.514301124560731
2562 … ik = 90 is = 1 idiag = 4 dE(Ry) = 48.065083339812801 residual = 55.718592971697362
2563 … ik = 90 is = 1 idiag = 5 dE(Ry) = 30.447106515848859 residual = 35.129805508126637
2564 … ik = 90 is = 1 idiag = 6 dE(Ry) = 18.290666997154695 residual = 21.057497862196755
2565 … ik = 90 is = 1 idiag = 7 dE(Ry) = 10.550879739027669 residual = 12.061572727943147
2566 … ik = 90 is = 1 idiag = 8 dE(Ry) = 6.738797862510169 residual = 9.292534052733417
2567 … ik = 90 is = 1 idiag = 9 dE(Ry) = 5.882036162427483 residual = 8.677751280878294
2568 … ik = 90 is = 1 idiag = 10 dE(Ry) = 3.471906983002000 residual = 5.035275515320617
2569 … ik = 90 is = 1 idiag = 11 dE(Ry) = 3.242053652499470 residual = 5.045131112443928
2570 … ik = 90 is = 1 idiag = 12 dE(Ry) = 1.162929264655052 residual = 1.694055534485725
2571 … ik = 90 is = 1 idiag = 13 dE(Ry) = 0.319456388416353 residual = 2.919059771387660
2572 … ik = 90 is = 1 idiag = 14 dE(Ry) = 0.620711914098133 residual = 3.037191904757945
2573 … ik = 90 is = 1 idiag = 15 dE(Ry) = 0.426258628397969 residual = 1.753603081729008
2574 … ik = 90 is = 1 idiag = 16 dE(Ry) = 0.209881000654944 residual = 1.236553989408822
2575 … ik = 90 is = 1 idiag = 17 dE(Ry) = 0.028869431377509 residual = 0.274715657374523
2576 … ik = 90 is = 1 idiag = 18 dE(Ry) = 0.001305230628612 residual = 0.051977444847634
2577 … ik = 90 is = 1 idiag = 19 dE(Ry) = 0.000039933051355 residual = 0.007590967177752
2578 … ik = 90 is = 1 idiag = 20 dE(Ry) = 0.000000801076358 residual = 0.001032499162009
2579 … ik = 90 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.001032498851246
2580 … ik = 90 is = 1 idiag = 22 dE(Ry) = 0.000000012531612 residual = 0.000159414565413
2581 … ik = 90 is = 1 idiag = 23 dE(Ry) = 0.000000000443620 residual = 0.000028940044031
2582 … ik = 90 is = 1 idiag = 24 dE(Ry) = 0.000000000013988 residual = 0.000007751632613
2583 … ik = 90 is = 1 idiag = 25 dE(Ry) = 0.000000000001065 residual = 0.000001866674112
2584 … ik = 90 is = 1 idiag = 26 dE(Ry) = 0.000000000000067 residual = 0.000000513880237
2585 … ik = 90 is = 1 idiag = 27 dE(Ry) = 0.000000000000018 residual = 0.000000259032320
2586 … ik = 90 is = 1 idiag = 28 dE(Ry) = 0.000000000000014 residual = 0.000000103409561
2587 … ik = 90 is = 1 idiag = 29 dE(Ry) = 0.000000000000016 residual = 0.000000041659650
2588 … ik = 91 is = 1 idiag = 1 dE(Ry) = 241.477647164377174 residual = 262.754857972247464
2589 … ik = 91 is = 1 idiag = 2 dE(Ry) = 53.866517329671836 residual = 70.997894303755970
2590 … ik = 91 is = 1 idiag = 3 dE(Ry) = 71.906914453814153 residual = 83.810340113484344
2591 … ik = 91 is = 1 idiag = 4 dE(Ry) = 47.949795783510865 residual = 55.480629635247645
2592 … ik = 91 is = 1 idiag = 5 dE(Ry) = 30.854327670097675 residual = 35.330333224671293
2593 … ik = 91 is = 1 idiag = 6 dE(Ry) = 18.603830245694262 residual = 21.272111914543739
2594 … ik = 91 is = 1 idiag = 7 dE(Ry) = 10.693422559508896 residual = 12.426330340581734
2595 … ik = 91 is = 1 idiag = 8 dE(Ry) = 5.744841692790844 residual = 8.120267411939587
2596 … ik = 91 is = 1 idiag = 9 dE(Ry) = 6.270675529718138 residual = 8.969107958796105
2597 … ik = 91 is = 1 idiag = 10 dE(Ry) = 3.689169202651983 residual = 5.418923220734275
2598 … ik = 91 is = 1 idiag = 11 dE(Ry) = 3.312858274805957 residual = 5.092580466937837
2599 … ik = 91 is = 1 idiag = 12 dE(Ry) = 1.297644680143261 residual = 1.884957689425965
2600 … ik = 91 is = 1 idiag = 13 dE(Ry) = 0.279879024812643 residual = 2.743412335490794
2601 … ik = 91 is = 1 idiag = 14 dE(Ry) = 0.569887849127698 residual = 3.544466118454944
2602 … ik = 91 is = 1 idiag = 15 dE(Ry) = 0.514358270594927 residual = 1.328598659994656
2603 … ik = 91 is = 1 idiag = 16 dE(Ry) = 0.300878278149354 residual = 2.276739682972877
2604 … ik = 91 is = 1 idiag = 17 dE(Ry) = 0.056908462530779 residual = 0.448301481644798
2605 … ik = 91 is = 1 idiag = 18 dE(Ry) = 0.003718047321347 residual = 0.091618174379701
2606 … ik = 91 is = 1 idiag = 19 dE(Ry) = 0.000127284071330 residual = 0.015830258110698
2607 … ik = 91 is = 1 idiag = 20 dE(Ry) = 0.000003370668692 residual = 0.002011029376497
2608 … ik = 91 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.002011026551720
2609 … ik = 91 is = 1 idiag = 22 dE(Ry) = 0.000000050126978 residual = 0.000295676240473
2610 … ik = 91 is = 1 idiag = 23 dE(Ry) = 0.000000001601850 residual = 0.000060338834598
2611 … ik = 91 is = 1 idiag = 24 dE(Ry) = 0.000000000067279 residual = 0.000015693541956
2612 … ik = 91 is = 1 idiag = 25 dE(Ry) = 0.000000000004777 residual = 0.000004134909575
2613 … ik = 91 is = 1 idiag = 26 dE(Ry) = 0.000000000000341 residual = 0.000001015375415
2614 … ik = 91 is = 1 idiag = 27 dE(Ry) = 0.000000000000040 residual = 0.000000423294461
2615 … ik = 91 is = 1 idiag = 28 dE(Ry) = 0.000000000000028 residual = 0.000000156291524
2616 … ik = 91 is = 1 idiag = 29 dE(Ry) = 0.000000000000015 residual = 0.000000055217777
2617 … ik = 92 is = 1 idiag = 1 dE(Ry) = 241.275347702673287 residual = 262.788286608629505
2618 … ik = 92 is = 1 idiag = 2 dE(Ry) = 53.932704368557950 residual = 71.018917305918791
2619 … ik = 92 is = 1 idiag = 3 dE(Ry) = 71.818656884323048 residual = 83.516693614043675
2620 … ik = 92 is = 1 idiag = 4 dE(Ry) = 47.942660480545754 residual = 55.329387287109022
2621 … ik = 92 is = 1 idiag = 5 dE(Ry) = 30.368941416355682 residual = 35.058021450033024
2622 … ik = 92 is = 1 idiag = 6 dE(Ry) = 18.437753970575564 residual = 21.317163477598687
2623 … ik = 92 is = 1 idiag = 7 dE(Ry) = 10.589983358736941 residual = 12.401403741511357
2624 … ik = 92 is = 1 idiag = 8 dE(Ry) = 6.108350720420861 residual = 8.338702024316316
2625 … ik = 92 is = 1 idiag = 9 dE(Ry) = 6.197282983703043 residual = 8.844249478169365
2626 … ik = 92 is = 1 idiag = 10 dE(Ry) = 3.134620665582869 residual = 4.881003323859660
2627 … ik = 92 is = 1 idiag = 11 dE(Ry) = 3.333410589645621 residual = 5.146573195796552
2628 … ik = 92 is = 1 idiag = 12 dE(Ry) = 1.832222467120653 residual = 2.603395215376596
2629 … ik = 92 is = 1 idiag = 13 dE(Ry) = 0.273857896673444 residual = 2.955778683095830
2630 … ik = 92 is = 1 idiag = 14 dE(Ry) = 0.551591618839527 residual = 3.282955213440162
2631 … ik = 92 is = 1 idiag = 15 dE(Ry) = 0.403786685370177 residual = 3.912591159189911
2632 … ik = 92 is = 1 idiag = 16 dE(Ry) = 0.354989782505682 residual = 0.819430851097545
2633 … ik = 92 is = 1 idiag = 17 dE(Ry) = 0.013726160505463 residual = 0.151834550112103
2634 … ik = 92 is = 1 idiag = 18 dE(Ry) = 0.000347122523437 residual = 0.027059626156397
2635 … ik = 92 is = 1 idiag = 19 dE(Ry) = 0.000009981806956 residual = 0.004320663398522
2636 … ik = 92 is = 1 idiag = 20 dE(Ry) = 0.000000266359697 residual = 0.000627046872216
2637 … ik = 92 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.000627046815644
2638 … ik = 92 is = 1 idiag = 22 dE(Ry) = 0.000000004629246 residual = 0.000100206320166
2639 … ik = 92 is = 1 idiag = 23 dE(Ry) = 0.000000000160676 residual = 0.000017335312418
2640 … ik = 92 is = 1 idiag = 24 dE(Ry) = 0.000000000005380 residual = 0.000004742058193
2641 … ik = 92 is = 1 idiag = 25 dE(Ry) = 0.000000000000428 residual = 0.000001231726986
2642 … ik = 92 is = 1 idiag = 26 dE(Ry) = 0.000000000000022 residual = 0.000000335967003
2643 … ik = 92 is = 1 idiag = 27 dE(Ry) = 0.000000000000014 residual = 0.000000170918697
2644 … ik = 92 is = 1 idiag = 28 dE(Ry) = 0.000000000000021 residual = 0.000000059707648
2645 … ik = 93 is = 1 idiag = 1 dE(Ry) = 241.271470855046516 residual = 262.781084627218377
2646 … ik = 93 is = 1 idiag = 2 dE(Ry) = 53.997556318766414 residual = 70.781771145519841
2647 … ik = 93 is = 1 idiag = 3 dE(Ry) = 71.720837534142362 residual = 83.743417420022425
2648 … ik = 93 is = 1 idiag = 4 dE(Ry) = 48.542849517152746 residual = 56.078560025223695
2649 … ik = 93 is = 1 idiag = 5 dE(Ry) = 30.266231278448288 residual = 34.780598808079084
2650 … ik = 93 is = 1 idiag = 6 dE(Ry) = 18.181968626200756 residual = 20.953080384030958
2651 … ik = 93 is = 1 idiag = 7 dE(Ry) = 10.835119515433618 residual = 12.546053041391634
2652 … ik = 93 is = 1 idiag = 8 dE(Ry) = 5.804882771110160 residual = 7.979688223361723
2653 … ik = 93 is = 1 idiag = 9 dE(Ry) = 6.134208177041732 residual = 8.809000759051566
2654 … ik = 93 is = 1 idiag = 10 dE(Ry) = 3.386235772510854 residual = 5.181037462957280
2655 … ik = 93 is = 1 idiag = 11 dE(Ry) = 3.286868371418817 residual = 5.159183037804286
2656 … ik = 93 is = 1 idiag = 12 dE(Ry) = 1.195955994101860 residual = 1.745694400008530
2657 … ik = 93 is = 1 idiag = 13 dE(Ry) = 0.261134639308943 residual = 2.925077033045492
2658 … ik = 93 is = 1 idiag = 14 dE(Ry) = 0.575912102852086 residual = 3.225022777770941
2659 … ik = 93 is = 1 idiag = 15 dE(Ry) = 0.337334081094740 residual = 1.295782020858828
2660 … ik = 93 is = 1 idiag = 16 dE(Ry) = 0.301504062979612 residual = 1.203588494475357
2661 … ik = 93 is = 1 idiag = 17 dE(Ry) = 0.045543323685252 residual = 0.313317940774506
2662 … ik = 93 is = 1 idiag = 18 dE(Ry) = 0.001587536486565 residual = 0.056178677579340
2663 … ik = 93 is = 1 idiag = 19 dE(Ry) = 0.000048768525200 residual = 0.009939128186302
2664 … ik = 93 is = 1 idiag = 20 dE(Ry) = 0.000001219639007 residual = 0.001194777014400
2665 … ik = 93 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.001194776391892
2666 … ik = 93 is = 1 idiag = 22 dE(Ry) = 0.000000017445723 residual = 0.000179996531407
2667 … ik = 93 is = 1 idiag = 23 dE(Ry) = 0.000000000530124 residual = 0.000032555944069
2668 … ik = 93 is = 1 idiag = 24 dE(Ry) = 0.000000000019646 residual = 0.000008313321521
2669 … ik = 93 is = 1 idiag = 25 dE(Ry) = 0.000000000001367 residual = 0.000002448611809
2670 … ik = 93 is = 1 idiag = 26 dE(Ry) = 0.000000000000143 residual = 0.000000749477317
2671 … ik = 93 is = 1 idiag = 27 dE(Ry) = 0.000000000000016 residual = 0.000000398060591
2672 … ik = 93 is = 1 idiag = 28 dE(Ry) = 0.000000000000018 residual = 0.000000158328143
2673 … ik = 93 is = 1 idiag = 29 dE(Ry) = 0.000000000000012 residual = 0.000000038528347
2674 … ik = 94 is = 1 idiag = 1 dE(Ry) = 240.620991601858748 residual = 262.191758464475015
2675 … ik = 94 is = 1 idiag = 2 dE(Ry) = 53.537192287404423 residual = 70.734838764500836
2676 … ik = 94 is = 1 idiag = 3 dE(Ry) = 71.786148168463001 residual = 83.337044331370222
2677 … ik = 94 is = 1 idiag = 4 dE(Ry) = 48.443958375361973 residual = 56.004709954200401
2678 … ik = 94 is = 1 idiag = 5 dE(Ry) = 30.302215404192552 residual = 34.980027048642491
2679 … ik = 94 is = 1 idiag = 6 dE(Ry) = 18.255804418866759 residual = 21.141090017676273
2680 … ik = 94 is = 1 idiag = 7 dE(Ry) = 10.798387092051300 residual = 12.436587624749919
2681 … ik = 94 is = 1 idiag = 8 dE(Ry) = 6.001736882927570 residual = 8.719590937111390
2682 … ik = 94 is = 1 idiag = 9 dE(Ry) = 6.173978065873658 residual = 8.713917966972685
2683 … ik = 94 is = 1 idiag = 10 dE(Ry) = 3.468479206532673 residual = 5.316861131136850
2684 … ik = 94 is = 1 idiag = 11 dE(Ry) = 3.394133918952920 residual = 5.025961015188829
2685 … ik = 94 is = 1 idiag = 12 dE(Ry) = 0.951411963399888 residual = 1.529472276384532
2686 … ik = 94 is = 1 idiag = 13 dE(Ry) = 0.279711053490743 residual = 2.820154423220345
2687 … ik = 94 is = 1 idiag = 14 dE(Ry) = 0.584809299902447 residual = 3.478269053154188
2688 … ik = 94 is = 1 idiag = 15 dE(Ry) = 0.576359364770954 residual = 3.574199302244319
2689 … ik = 94 is = 1 idiag = 16 dE(Ry) = 0.220108114534105 residual = 0.504025665773290
2690 … ik = 94 is = 1 idiag = 17 dE(Ry) = 0.004812702958632 residual = 0.129916725272280
2691 … ik = 94 is = 1 idiag = 18 dE(Ry) = 0.000312953447528 residual = 0.023518973559928
2692 … ik = 94 is = 1 idiag = 19 dE(Ry) = 0.000008798210906 residual = 0.004581188125443
2693 … ik = 94 is = 1 idiag = 20 dE(Ry) = 0.000000281570109 residual = 0.000564327617025
2694 … ik = 94 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.000564327546781
2695 … ik = 94 is = 1 idiag = 22 dE(Ry) = 0.000000003660034 residual = 0.000082915956720
2696 … ik = 94 is = 1 idiag = 23 dE(Ry) = 0.000000000107414 residual = 0.000015211692754
2697 … ik = 94 is = 1 idiag = 24 dE(Ry) = 0.000000000004172 residual = 0.000004329411837
2698 … ik = 94 is = 1 idiag = 25 dE(Ry) = 0.000000000000340 residual = 0.000001057890849
2699 … ik = 94 is = 1 idiag = 26 dE(Ry) = 0.000000000000023 residual = 0.000000361516023
2700 … ik = 94 is = 1 idiag = 27 dE(Ry) = 0.000000000000015 residual = 0.000000197985044
2701 … ik = 94 is = 1 idiag = 28 dE(Ry) = 0.000000000000012 residual = 0.000000075078200
2702 … ik = 95 is = 1 idiag = 1 dE(Ry) = 240.834366342803094 residual = 262.482405440980983
2703 … ik = 95 is = 1 idiag = 2 dE(Ry) = 53.635696690318724 residual = 70.661958224402809
2704 … ik = 95 is = 1 idiag = 3 dE(Ry) = 71.980796516629709 residual = 83.590928479924415
2705 … ik = 95 is = 1 idiag = 4 dE(Ry) = 47.689184791826449 residual = 55.202426490966268
2706 … ik = 95 is = 1 idiag = 5 dE(Ry) = 30.898460387311587 residual = 35.405228006956072
2707 … ik = 95 is = 1 idiag = 6 dE(Ry) = 18.203679350990775 residual = 21.053681971325339
2708 … ik = 95 is = 1 idiag = 7 dE(Ry) = 10.523304480883310 residual = 12.275374123943068
2709 … ik = 95 is = 1 idiag = 8 dE(Ry) = 5.719962037510292 residual = 7.941182117757742
2710 … ik = 95 is = 1 idiag = 9 dE(Ry) = 6.088427736219535 residual = 8.832875698690470
2711 … ik = 95 is = 1 idiag = 10 dE(Ry) = 3.744793993629690 residual = 5.558321375896449
2712 … ik = 95 is = 1 idiag = 11 dE(Ry) = 3.293561347260361 residual = 4.934683669881644
2713 … ik = 95 is = 1 idiag = 12 dE(Ry) = 1.226154276009841 residual = 1.748650813445743
2714 … ik = 95 is = 1 idiag = 13 dE(Ry) = 0.338855344872299 residual = 2.832743814033552
2715 … ik = 95 is = 1 idiag = 14 dE(Ry) = 0.612696733948515 residual = 3.525771633221172
2716 … ik = 95 is = 1 idiag = 15 dE(Ry) = 0.533576630044638 residual = 3.290564659282214
2717 … ik = 95 is = 1 idiag = 16 dE(Ry) = 0.520812075105830 residual = 0.841694211933752
2718 … ik = 95 is = 1 idiag = 17 dE(Ry) = 0.009678179034737 residual = 0.170460309867530
2719 … ik = 95 is = 1 idiag = 18 dE(Ry) = 0.000511025771605 residual = 0.033034044374316
2720 … ik = 95 is = 1 idiag = 19 dE(Ry) = 0.000013725490669 residual = 0.005088940733441
2721 … ik = 95 is = 1 idiag = 20 dE(Ry) = 0.000000371946889 residual = 0.000597364754941
2722 … ik = 95 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.000597364639146
2723 … ik = 95 is = 1 idiag = 22 dE(Ry) = 0.000000004600949 residual = 0.000093130605130
2724 … ik = 95 is = 1 idiag = 23 dE(Ry) = 0.000000000147236 residual = 0.000015966891134
2725 … ik = 95 is = 1 idiag = 24 dE(Ry) = 0.000000000004653 residual = 0.000004364119392
2726 … ik = 95 is = 1 idiag = 25 dE(Ry) = 0.000000000000344 residual = 0.000001185046587
2727 … ik = 95 is = 1 idiag = 26 dE(Ry) = 0.000000000000029 residual = 0.000000316973942
2728 … ik = 95 is = 1 idiag = 27 dE(Ry) = 0.000000000000016 residual = 0.000000142521369
2729 … ik = 95 is = 1 idiag = 28 dE(Ry) = 0.000000000000016 residual = 0.000000052907128
2730 … ik = 96 is = 1 idiag = 1 dE(Ry) = 241.090558253309013 residual = 262.660598269700643
2731 … ik = 96 is = 1 idiag = 2 dE(Ry) = 53.839952746526677 residual = 70.857608927709009
2732 … ik = 96 is = 1 idiag = 3 dE(Ry) = 71.903093456885955 residual = 83.681624397548106
2733 … ik = 96 is = 1 idiag = 4 dE(Ry) = 47.984237782093345 residual = 55.448740833180075
2734 … ik = 96 is = 1 idiag = 5 dE(Ry) = 30.567589385570827 residual = 35.111793927648712
2735 … ik = 96 is = 1 idiag = 6 dE(Ry) = 18.428517833466742 residual = 21.270788283794747
2736 … ik = 96 is = 1 idiag = 7 dE(Ry) = 10.297901027850603 residual = 12.009038603820738
2737 … ik = 96 is = 1 idiag = 8 dE(Ry) = 6.199995698287018 residual = 8.480973720082373
2738 … ik = 96 is = 1 idiag = 9 dE(Ry) = 6.167396032078619 residual = 9.029182243043216
2739 … ik = 96 is = 1 idiag = 10 dE(Ry) = 3.372991464307742 residual = 5.184583911514644
2740 … ik = 96 is = 1 idiag = 11 dE(Ry) = 3.203260955466391 residual = 5.166230115283312
2741 … ik = 96 is = 1 idiag = 12 dE(Ry) = 1.409489940034689 residual = 2.043136457036755
2742 … ik = 96 is = 1 idiag = 13 dE(Ry) = 0.254009491439508 residual = 2.724706508220331
2743 … ik = 96 is = 1 idiag = 14 dE(Ry) = 0.613922675343579 residual = 3.684555515514790
2744 … ik = 96 is = 1 idiag = 15 dE(Ry) = 0.429538003167040 residual = 4.102291068089220
2745 … ik = 96 is = 1 idiag = 16 dE(Ry) = 0.379830819609773 residual = 0.702289880302752
2746 … ik = 96 is = 1 idiag = 17 dE(Ry) = 0.011358777587102 residual = 0.174615837562027
2747 … ik = 96 is = 1 idiag = 18 dE(Ry) = 0.000521676735114 residual = 0.031460539894373
2748 … ik = 96 is = 1 idiag = 19 dE(Ry) = 0.000013908113363 residual = 0.004288146950734
2749 … ik = 96 is = 1 idiag = 20 dE(Ry) = 0.000000234169642 residual = 0.000516684468538
2750 … ik = 96 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.000516684415474
2751 … ik = 96 is = 1 idiag = 22 dE(Ry) = 0.000000003209221 residual = 0.000081297452307
2752 … ik = 96 is = 1 idiag = 23 dE(Ry) = 0.000000000112597 residual = 0.000014194818915
2753 … ik = 96 is = 1 idiag = 24 dE(Ry) = 0.000000000003411 residual = 0.000003962889551
2754 … ik = 96 is = 1 idiag = 25 dE(Ry) = 0.000000000000294 residual = 0.000001027289847
2755 … ik = 96 is = 1 idiag = 26 dE(Ry) = 0.000000000000017 residual = 0.000000282895721
2756 … ik = 96 is = 1 idiag = 27 dE(Ry) = 0.000000000000012 residual = 0.000000141482324
2757 … ik = 96 is = 1 idiag = 28 dE(Ry) = 0.000000000000021 residual = 0.000000074891247
2758 … ik = 97 is = 1 idiag = 1 dE(Ry) = 241.047592085930489 residual = 262.427957888359458
2759 … ik = 97 is = 1 idiag = 2 dE(Ry) = 53.702931775055191 residual = 70.778597801760810
2760 … ik = 97 is = 1 idiag = 3 dE(Ry) = 71.805918972402196 residual = 83.633190073022220
2761 … ik = 97 is = 1 idiag = 4 dE(Ry) = 48.154696706662946 residual = 55.642796988179896
2762 … ik = 97 is = 1 idiag = 5 dE(Ry) = 30.256133203229737 residual = 34.860718982709862
2763 … ik = 97 is = 1 idiag = 6 dE(Ry) = 18.422801868993218 residual = 21.214981087218987
2764 … ik = 97 is = 1 idiag = 7 dE(Ry) = 10.647643133606222 residual = 12.334370324330706
2765 … ik = 97 is = 1 idiag = 8 dE(Ry) = 6.115901293536652 residual = 8.297635543748971
2766 … ik = 97 is = 1 idiag = 9 dE(Ry) = 6.194688660952670 residual = 8.800649492132710
2767 … ik = 97 is = 1 idiag = 10 dE(Ry) = 3.694879366209365 residual = 5.428788742121510
2768 … ik = 97 is = 1 idiag = 11 dE(Ry) = 3.294237514403835 residual = 5.116112907941540
2769 … ik = 97 is = 1 idiag = 12 dE(Ry) = 1.154670549748197 residual = 1.897196044555496
2770 … ik = 97 is = 1 idiag = 13 dE(Ry) = 0.299072288379488 residual = 2.841535222218948
2771 … ik = 97 is = 1 idiag = 14 dE(Ry) = 0.587724680317006 residual = 3.254828635867971
2772 … ik = 97 is = 1 idiag = 15 dE(Ry) = 0.428009580014803 residual = 1.257574920893318
2773 … ik = 97 is = 1 idiag = 16 dE(Ry) = 0.210024330773607 residual = 1.382056092579746
2774 … ik = 97 is = 1 idiag = 17 dE(Ry) = 0.039911809736496 residual = 0.312876837735892
2775 … ik = 97 is = 1 idiag = 18 dE(Ry) = 0.001776615015823 residual = 0.058581560046301
2776 … ik = 97 is = 1 idiag = 19 dE(Ry) = 0.000056144704644 residual = 0.008911254141474
2777 … ik = 97 is = 1 idiag = 20 dE(Ry) = 0.000001159684344 residual = 0.001103717367734
2778 … ik = 97 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.001103716758491
2779 … ik = 97 is = 1 idiag = 22 dE(Ry) = 0.000000015461411 residual = 0.000172937509853
2780 … ik = 97 is = 1 idiag = 23 dE(Ry) = 0.000000000538425 residual = 0.000029580322703
2781 … ik = 97 is = 1 idiag = 24 dE(Ry) = 0.000000000015325 residual = 0.000007543973506
2782 … ik = 97 is = 1 idiag = 25 dE(Ry) = 0.000000000001113 residual = 0.000002110182802
2783 … ik = 97 is = 1 idiag = 26 dE(Ry) = 0.000000000000091 residual = 0.000000490317906
2784 … ik = 97 is = 1 idiag = 27 dE(Ry) = 0.000000000000022 residual = 0.000000191189612
2785 … ik = 97 is = 1 idiag = 28 dE(Ry) = 0.000000000000016 residual = 0.000000088401555
2786 … ik = 98 is = 1 idiag = 1 dE(Ry) = 241.313311422878598 residual = 262.848637517938357
2787 … ik = 98 is = 1 idiag = 2 dE(Ry) = 54.195122820668871 residual = 71.034247564493356
2788 … ik = 98 is = 1 idiag = 3 dE(Ry) = 71.969683768980445 residual = 83.819525150695142
2789 … ik = 98 is = 1 idiag = 4 dE(Ry) = 47.886494278791218 residual = 55.387820064919175
2790 … ik = 98 is = 1 idiag = 5 dE(Ry) = 30.834407788510561 residual = 35.521453055754399
2791 … ik = 98 is = 1 idiag = 6 dE(Ry) = 18.222187000218717 residual = 21.037982308925546
2792 … ik = 98 is = 1 idiag = 7 dE(Ry) = 10.539447708922056 residual = 12.103768207793069
2793 … ik = 98 is = 1 idiag = 8 dE(Ry) = 6.242207547133505 residual = 8.477344265217761
2794 … ik = 98 is = 1 idiag = 9 dE(Ry) = 6.133899696968805 residual = 8.818678609432968
2795 … ik = 98 is = 1 idiag = 10 dE(Ry) = 3.436106073068674 residual = 5.024959064163303
2796 … ik = 98 is = 1 idiag = 11 dE(Ry) = 3.279641899330056 residual = 5.085524092817620
2797 … ik = 98 is = 1 idiag = 12 dE(Ry) = 1.174840189142588 residual = 1.728517954148499
2798 … ik = 98 is = 1 idiag = 13 dE(Ry) = 0.352368576413597 residual = 2.953328543018789
2799 … ik = 98 is = 1 idiag = 14 dE(Ry) = 0.559354742110622 residual = 3.005853687908459
2800 … ik = 98 is = 1 idiag = 15 dE(Ry) = 0.351498290144672 residual = 1.664998174227891
2801 … ik = 98 is = 1 idiag = 16 dE(Ry) = 0.347113111940920 residual = 0.850820277204362
2802 … ik = 98 is = 1 idiag = 17 dE(Ry) = 0.014496805245557 residual = 0.164688832507681
2803 … ik = 98 is = 1 idiag = 18 dE(Ry) = 0.000400010626159 residual = 0.023871908538984
2804 … ik = 98 is = 1 idiag = 19 dE(Ry) = 0.000009028881403 residual = 0.003692162281737
2805 … ik = 98 is = 1 idiag = 20 dE(Ry) = 0.000000180189632 residual = 0.000422727017574
2806 … ik = 98 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.000422726985795
2807 … ik = 98 is = 1 idiag = 22 dE(Ry) = 0.000000002122363 residual = 0.000062842873945
2808 … ik = 98 is = 1 idiag = 23 dE(Ry) = 0.000000000065409 residual = 0.000010855258494
2809 … ik = 98 is = 1 idiag = 24 dE(Ry) = 0.000000000002144 residual = 0.000002838659781
2810 … ik = 98 is = 1 idiag = 25 dE(Ry) = 0.000000000000150 residual = 0.000000836432005
2811 … ik = 98 is = 1 idiag = 26 dE(Ry) = 0.000000000000028 residual = 0.000000235530392
2812 … ik = 98 is = 1 idiag = 27 dE(Ry) = 0.000000000000018 residual = 0.000000110413470
2813 … ik = 98 is = 1 idiag = 28 dE(Ry) = 0.000000000000013 residual = 0.000000048830217
2814 … ik = 99 is = 1 idiag = 1 dE(Ry) = 240.868881117699090 residual = 262.409637972252028
2815 … ik = 99 is = 1 idiag = 2 dE(Ry) = 54.001170891706153 residual = 70.730361195331824
2816 … ik = 99 is = 1 idiag = 3 dE(Ry) = 71.637443320637544 residual = 83.489724627581239
2817 … ik = 99 is = 1 idiag = 4 dE(Ry) = 47.895729021304618 residual = 55.420324355738806
2818 … ik = 99 is = 1 idiag = 5 dE(Ry) = 30.954751403779483 residual = 35.605621423652615
2819 … ik = 99 is = 1 idiag = 6 dE(Ry) = 18.219179421434383 residual = 20.981797579885445
2820 … ik = 99 is = 1 idiag = 7 dE(Ry) = 10.546659157746983 residual = 12.171347216753817
2821 … ik = 99 is = 1 idiag = 8 dE(Ry) = 5.667714222153126 residual = 7.815473133488356
2822 … ik = 99 is = 1 idiag = 9 dE(Ry) = 6.444914435980346 residual = 9.087791302444673
2823 … ik = 99 is = 1 idiag = 10 dE(Ry) = 3.622343850435550 residual = 5.616032694195019
2824 … ik = 99 is = 1 idiag = 11 dE(Ry) = 3.194955550527792 residual = 5.116036391957656
2825 … ik = 99 is = 1 idiag = 12 dE(Ry) = 1.231917626035479 residual = 1.817702505119883
2826 … ik = 99 is = 1 idiag = 13 dE(Ry) = 0.377839698008619 residual = 2.913219936113297
2827 … ik = 99 is = 1 idiag = 14 dE(Ry) = 0.602300839505577 residual = 3.810256446936825
2828 … ik = 99 is = 1 idiag = 15 dE(Ry) = 0.468307251055129 residual = 1.475770108439739
2829 … ik = 99 is = 1 idiag = 16 dE(Ry) = 0.209203445757070 residual = 1.568224088498887
2830 … ik = 99 is = 1 idiag = 17 dE(Ry) = 0.045311071303023 residual = 0.371976347757353
2831 … ik = 99 is = 1 idiag = 18 dE(Ry) = 0.002389678705816 residual = 0.073187862642770
2832 … ik = 99 is = 1 idiag = 19 dE(Ry) = 0.000083033702435 residual = 0.012564603408949
2833 … ik = 99 is = 1 idiag = 20 dE(Ry) = 0.000002165729541 residual = 0.001839994229472
2834 … ik = 99 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.001839992954908
2835 … ik = 99 is = 1 idiag = 22 dE(Ry) = 0.000000038245744 residual = 0.000282756567163
2836 … ik = 99 is = 1 idiag = 23 dE(Ry) = 0.000000001240139 residual = 0.000054024575402
2837 … ik = 99 is = 1 idiag = 24 dE(Ry) = 0.000000000051233 residual = 0.000014511483734
2838 … ik = 99 is = 1 idiag = 25 dE(Ry) = 0.000000000004198 residual = 0.000003676695113
2839 … ik = 99 is = 1 idiag = 26 dE(Ry) = 0.000000000000261 residual = 0.000000924796526
2840 … ik = 99 is = 1 idiag = 27 dE(Ry) = 0.000000000000034 residual = 0.000000518574175
2841 … ik = 99 is = 1 idiag = 28 dE(Ry) = 0.000000000000021 residual = 0.000000212016826
2842 … ik = 99 is = 1 idiag = 29 dE(Ry) = 0.000000000000015 residual = 0.000000057543718
2843 … ik = 100 is = 1 idiag = 1 dE(Ry) = 240.936896111917065 residual = 262.520883113109676
2844 … ik = 100 is = 1 idiag = 2 dE(Ry) = 54.127755404067130 residual = 70.733016819790407
2845 … ik = 100 is = 1 idiag = 3 dE(Ry) = 71.760145537371784 residual = 83.483778600946138
2846 … ik = 100 is = 1 idiag = 4 dE(Ry) = 47.995765349125236 residual = 55.704309062251973
2847 … ik = 100 is = 1 idiag = 5 dE(Ry) = 30.532072963828455 residual = 35.144484562576899
2848 … ik = 100 is = 1 idiag = 6 dE(Ry) = 18.234099070924124 residual = 21.129589939906857
2849 … ik = 100 is = 1 idiag = 7 dE(Ry) = 10.644165551641695 residual = 12.308554507623461
2850 … ik = 100 is = 1 idiag = 8 dE(Ry) = 5.765457666948522 residual = 7.753049904479478
2851 … ik = 100 is = 1 idiag = 9 dE(Ry) = 6.172888735816343 residual = 8.919462630349006
2852 … ik = 100 is = 1 idiag = 10 dE(Ry) = 3.581380760976965 residual = 5.306552370441236
2853 … ik = 100 is = 1 idiag = 11 dE(Ry) = 3.279562763502788 residual = 5.320339073912551
2854 … ik = 100 is = 1 idiag = 12 dE(Ry) = 1.470984799272272 residual = 2.174882916492724
2855 … ik = 100 is = 1 idiag = 13 dE(Ry) = 0.272967175910352 residual = 2.743804845249515
2856 … ik = 100 is = 1 idiag = 14 dE(Ry) = 0.550436788056718 residual = 3.002506438420209
2857 … ik = 100 is = 1 idiag = 15 dE(Ry) = 0.475641495755382 residual = 1.844749041636239
2858 … ik = 100 is = 1 idiag = 16 dE(Ry) = 0.300651553391921 residual = 1.626500815520750
2859 … ik = 100 is = 1 idiag = 17 dE(Ry) = 0.045523641504373 residual = 0.407750664180298
2860 … ik = 100 is = 1 idiag = 18 dE(Ry) = 0.002828233454455 residual = 0.073777792600276
2861 … ik = 100 is = 1 idiag = 19 dE(Ry) = 0.000082489666782 residual = 0.011423026411602
2862 … ik = 100 is = 1 idiag = 20 dE(Ry) = 0.000001833732665 residual = 0.001459689116997
2863 … ik = 100 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.001459687965179
2864 … ik = 100 is = 1 idiag = 22 dE(Ry) = 0.000000025341151 residual = 0.000227824828746
2865 … ik = 100 is = 1 idiag = 23 dE(Ry) = 0.000000000823431 residual = 0.000040706785211
2866 … ik = 100 is = 1 idiag = 24 dE(Ry) = 0.000000000029744 residual = 0.000010827329802
2867 … ik = 100 is = 1 idiag = 25 dE(Ry) = 0.000000000002138 residual = 0.000002686478961
2868 … ik = 100 is = 1 idiag = 26 dE(Ry) = 0.000000000000138 residual = 0.000000663855975
2869 … ik = 100 is = 1 idiag = 27 dE(Ry) = 0.000000000000020 residual = 0.000000277992307
2870 … ik = 100 is = 1 idiag = 28 dE(Ry) = 0.000000000000017 residual = 0.000000104432012
2871 … ik = 100 is = 1 idiag = 29 dE(Ry) = 0.000000000000027 residual = 0.000000066839496
2872 … ik = 101 is = 1 idiag = 1 dE(Ry) = 240.885346105641332 residual = 262.393020709937844
2873 … ik = 101 is = 1 idiag = 2 dE(Ry) = 53.941305074978459 residual = 70.842744673236623
2874 … ik = 101 is = 1 idiag = 3 dE(Ry) = 71.593747994747531 residual = 83.676430504935539
2875 … ik = 101 is = 1 idiag = 4 dE(Ry) = 48.028512259578790 residual = 55.712405575975630
2876 … ik = 101 is = 1 idiag = 5 dE(Ry) = 30.623869549256483 residual = 35.199700177066120
2877 … ik = 101 is = 1 idiag = 6 dE(Ry) = 18.231814726102026 residual = 21.019154668835554
2878 … ik = 101 is = 1 idiag = 7 dE(Ry) = 10.857111293146296 residual = 12.504026502306742
2879 … ik = 101 is = 1 idiag = 8 dE(Ry) = 5.664772334837656 residual = 7.506495340387498
2880 … ik = 101 is = 1 idiag = 9 dE(Ry) = 6.264877808765589 residual = 8.999377342128021
2881 … ik = 101 is = 1 idiag = 10 dE(Ry) = 3.436091925944107 residual = 5.295826035833492
2882 … ik = 101 is = 1 idiag = 11 dE(Ry) = 3.269755045353445 residual = 5.095945601771820
2883 … ik = 101 is = 1 idiag = 12 dE(Ry) = 1.066716323733835 residual = 1.584031677262578
2884 … ik = 101 is = 1 idiag = 13 dE(Ry) = 0.327192722180036 residual = 2.936386516259541
2885 … ik = 101 is = 1 idiag = 14 dE(Ry) = 0.571821965329844 residual = 3.152509359774829
2886 … ik = 101 is = 1 idiag = 15 dE(Ry) = 0.352254769660862 residual = 3.984932998610657
2887 … ik = 101 is = 1 idiag = 16 dE(Ry) = 0.356731993016527 residual = 0.681739063905699
2888 … ik = 101 is = 1 idiag = 17 dE(Ry) = 0.009041110108652 residual = 0.143942327317387
2889 … ik = 101 is = 1 idiag = 18 dE(Ry) = 0.000293857380002 residual = 0.022466943275867
2890 … ik = 101 is = 1 idiag = 19 dE(Ry) = 0.000007016761950 residual = 0.003408799880475
2891 … ik = 101 is = 1 idiag = 20 dE(Ry) = 0.000000147044573 residual = 0.000381107731469
2892 … ik = 101 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.000381107703101
2893 … ik = 101 is = 1 idiag = 22 dE(Ry) = 0.000000001759166 residual = 0.000057732728005
2894 … ik = 101 is = 1 idiag = 23 dE(Ry) = 0.000000000053867 residual = 0.000009730345918
2895 … ik = 101 is = 1 idiag = 24 dE(Ry) = 0.000000000001765 residual = 0.000002758083110
2896 … ik = 101 is = 1 idiag = 25 dE(Ry) = 0.000000000000137 residual = 0.000000722546896
2897 … ik = 101 is = 1 idiag = 26 dE(Ry) = 0.000000000000021 residual = 0.000000183622936
2898 … ik = 101 is = 1 idiag = 27 dE(Ry) = 0.000000000000023 residual = 0.000000092952595
2899 … ik = 102 is = 1 idiag = 1 dE(Ry) = 240.843060048917096 residual = 262.489812676634358
2900 … ik = 102 is = 1 idiag = 2 dE(Ry) = 54.130080173814946 residual = 70.982723689419942
2901 … ik = 102 is = 1 idiag = 3 dE(Ry) = 71.833302174142489 residual = 83.463913876003488
2902 … ik = 102 is = 1 idiag = 4 dE(Ry) = 47.798514800286014 residual = 55.390331931085846
2903 … ik = 102 is = 1 idiag = 5 dE(Ry) = 30.398969411437463 residual = 35.013057897574527
2904 … ik = 102 is = 1 idiag = 6 dE(Ry) = 18.548752399774067 residual = 21.406432743197467
2905 … ik = 102 is = 1 idiag = 7 dE(Ry) = 10.475984332070984 residual = 12.136570623816370
2906 … ik = 102 is = 1 idiag = 8 dE(Ry) = 5.774273406421254 residual = 7.726824165090898
2907 … ik = 102 is = 1 idiag = 9 dE(Ry) = 6.200499992176550 residual = 8.798330898982369
2908 … ik = 102 is = 1 idiag = 10 dE(Ry) = 3.878093470028057 residual = 5.566392784841482
2909 … ik = 102 is = 1 idiag = 11 dE(Ry) = 3.235160876687289 residual = 5.130090322256099
2910 … ik = 102 is = 1 idiag = 12 dE(Ry) = 1.244434085199850 residual = 1.841148809231100
2911 … ik = 102 is = 1 idiag = 13 dE(Ry) = 0.277861630402569 residual = 2.687754326540297
2912 … ik = 102 is = 1 idiag = 14 dE(Ry) = 0.520525832620967 residual = 4.092437979033100
2913 … ik = 102 is = 1 idiag = 15 dE(Ry) = 0.460146789751989 residual = 1.758363954721459
2914 … ik = 102 is = 1 idiag = 16 dE(Ry) = 0.303186854643831 residual = 1.401703091024030
2915 … ik = 102 is = 1 idiag = 17 dE(Ry) = 0.027463683034942 residual = 0.268083459427076
2916 … ik = 102 is = 1 idiag = 18 dE(Ry) = 0.001200117314583 residual = 0.049318635452535
2917 … ik = 102 is = 1 idiag = 19 dE(Ry) = 0.000038549906912 residual = 0.007514344393986
2918 … ik = 102 is = 1 idiag = 20 dE(Ry) = 0.000000737570253 residual = 0.000803796343854
2919 … ik = 102 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.000803796005454
2920 … ik = 102 is = 1 idiag = 22 dE(Ry) = 0.000000008083781 residual = 0.000124807795889
2921 … ik = 102 is = 1 idiag = 23 dE(Ry) = 0.000000000253104 residual = 0.000021541580983
2922 … ik = 102 is = 1 idiag = 24 dE(Ry) = 0.000000000007796 residual = 0.000004916391048
2923 … ik = 102 is = 1 idiag = 25 dE(Ry) = 0.000000000000509 residual = 0.000001463550509
2924 … ik = 102 is = 1 idiag = 26 dE(Ry) = 0.000000000000036 residual = 0.000000465006478
2925 … ik = 102 is = 1 idiag = 27 dE(Ry) = 0.000000000000017 residual = 0.000000236930418
2926 … ik = 102 is = 1 idiag = 28 dE(Ry) = 0.000000000000016 residual = 0.000000097583884
2927 … ik = 103 is = 1 idiag = 1 dE(Ry) = 240.910901638898679 residual = 262.214708945175119
2928 … ik = 103 is = 1 idiag = 2 dE(Ry) = 53.689001175579364 residual = 70.764044771177808
2929 … ik = 103 is = 1 idiag = 3 dE(Ry) = 71.657327045941685 residual = 83.466637290148384
2930 … ik = 103 is = 1 idiag = 4 dE(Ry) = 47.978876934113671 residual = 55.496496209121304
2931 … ik = 103 is = 1 idiag = 5 dE(Ry) = 30.752233699172280 residual = 35.362342286236235
2932 … ik = 103 is = 1 idiag = 6 dE(Ry) = 18.527978356300700 residual = 21.439306801183008
2933 … ik = 103 is = 1 idiag = 7 dE(Ry) = 10.415543713767860 residual = 12.105034051694597
2934 … ik = 103 is = 1 idiag = 8 dE(Ry) = 6.094226548365399 residual = 8.722803305229059
2935 … ik = 103 is = 1 idiag = 9 dE(Ry) = 5.790005023191882 residual = 8.533264733505570
2936 … ik = 103 is = 1 idiag = 10 dE(Ry) = 3.695066772280517 residual = 5.559739217477281
2937 … ik = 103 is = 1 idiag = 11 dE(Ry) = 3.249672175255853 residual = 5.094207629060309
2938 … ik = 103 is = 1 idiag = 12 dE(Ry) = 1.229105021460437 residual = 1.917729240575880
2939 … ik = 103 is = 1 idiag = 13 dE(Ry) = 0.251961890254706 residual = 2.844215584493577
2940 … ik = 103 is = 1 idiag = 14 dE(Ry) = 0.585325333036152 residual = 3.444631445181679
2941 … ik = 103 is = 1 idiag = 15 dE(Ry) = 0.544247585005867 residual = 1.390714407596025
2942 … ik = 103 is = 1 idiag = 16 dE(Ry) = 0.398813045489218 residual = 1.565945437769172
2943 … ik = 103 is = 1 idiag = 17 dE(Ry) = 0.041001257955923 residual = 0.474394137859935
2944 … ik = 103 is = 1 idiag = 18 dE(Ry) = 0.004199673068185 residual = 0.093105289187314
2945 … ik = 103 is = 1 idiag = 19 dE(Ry) = 0.000145404919376 residual = 0.016835983113180
2946 … ik = 103 is = 1 idiag = 20 dE(Ry) = 0.000003908598135 residual = 0.002080492401639
2947 … ik = 103 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.002080488730116
2948 … ik = 103 is = 1 idiag = 22 dE(Ry) = 0.000000052462033 residual = 0.000322069853380
2949 … ik = 103 is = 1 idiag = 23 dE(Ry) = 0.000000001747154 residual = 0.000057981880550
2950 … ik = 103 is = 1 idiag = 24 dE(Ry) = 0.000000000063679 residual = 0.000017123553073
2951 … ik = 103 is = 1 idiag = 25 dE(Ry) = 0.000000000005364 residual = 0.000004318879293
2952 … ik = 103 is = 1 idiag = 26 dE(Ry) = 0.000000000000328 residual = 0.000000853723104
2953 … ik = 103 is = 1 idiag = 27 dE(Ry) = 0.000000000000020 residual = 0.000000329306733
2954 … ik = 103 is = 1 idiag = 28 dE(Ry) = 0.000000000000021 residual = 0.000000132369869
2955 … ik = 103 is = 1 idiag = 29 dE(Ry) = 0.000000000000023 residual = 0.000000041325725
2956 … ik = 104 is = 1 idiag = 1 dE(Ry) = 240.752399413953214 residual = 262.374890654429862
2957 … ik = 104 is = 1 idiag = 2 dE(Ry) = 53.781811852391428 residual = 70.899051325624640
2958 … ik = 104 is = 1 idiag = 3 dE(Ry) = 71.960413868836440 residual = 83.684825990111364
2959 … ik = 104 is = 1 idiag = 4 dE(Ry) = 47.852132187727705 residual = 55.329999679649227
2960 … ik = 104 is = 1 idiag = 5 dE(Ry) = 30.790494828064624 residual = 35.386998266171162
2961 … ik = 104 is = 1 idiag = 6 dE(Ry) = 18.184163956590794 residual = 21.029001202633076
2962 … ik = 104 is = 1 idiag = 7 dE(Ry) = 10.594458533543921 residual = 12.326519445485879
2963 … ik = 104 is = 1 idiag = 8 dE(Ry) = 6.093005251264017 residual = 8.454452045365773
2964 … ik = 104 is = 1 idiag = 9 dE(Ry) = 6.006555785383183 residual = 8.752248598243378
2965 … ik = 104 is = 1 idiag = 10 dE(Ry) = 3.508543279218096 residual = 5.056566305103409
2966 … ik = 104 is = 1 idiag = 11 dE(Ry) = 3.277560450027134 residual = 5.272102498866875
2967 … ik = 104 is = 1 idiag = 12 dE(Ry) = 1.444207765494373 residual = 2.155555777674956
2968 … ik = 104 is = 1 idiag = 13 dE(Ry) = 0.278265508286903 residual = 2.998877455473024
2969 … ik = 104 is = 1 idiag = 14 dE(Ry) = 0.541781513862442 residual = 3.562136286032762
2970 … ik = 104 is = 1 idiag = 15 dE(Ry) = 0.496729639025852 residual = 4.034216121853500
2971 … ik = 104 is = 1 idiag = 16 dE(Ry) = 0.382739146758342 residual = 0.885219205484528
2972 … ik = 104 is = 1 idiag = 17 dE(Ry) = 0.013898158157843 residual = 0.146314608386210
2973 … ik = 104 is = 1 idiag = 18 dE(Ry) = 0.000365539513819 residual = 0.027299605465726
2974 … ik = 104 is = 1 idiag = 19 dE(Ry) = 0.000012000725684 residual = 0.004997854265985
2975 … ik = 104 is = 1 idiag = 20 dE(Ry) = 0.000000377785921 residual = 0.000720340800328
2976 … ik = 104 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.000720340701263
2977 … ik = 104 is = 1 idiag = 22 dE(Ry) = 0.000000006317336 residual = 0.000110592018706
2978 … ik = 104 is = 1 idiag = 23 dE(Ry) = 0.000000000220856 residual = 0.000023554422604
2979 … ik = 104 is = 1 idiag = 24 dE(Ry) = 0.000000000011343 residual = 0.000007420955677
2980 … ik = 104 is = 1 idiag = 25 dE(Ry) = 0.000000000000883 residual = 0.000001498785652
2981 … ik = 104 is = 1 idiag = 26 dE(Ry) = 0.000000000000045 residual = 0.000000372586869
2982 … ik = 104 is = 1 idiag = 27 dE(Ry) = 0.000000000000020 residual = 0.000000178984378
2983 … ik = 104 is = 1 idiag = 28 dE(Ry) = 0.000000000000020 residual = 0.000000066262710
2984 … ik = 105 is = 1 idiag = 1 dE(Ry) = 240.590945761515457 residual = 262.145773965497597
2985 … ik = 105 is = 1 idiag = 2 dE(Ry) = 53.850654116231425 residual = 70.754980015206669
2986 … ik = 105 is = 1 idiag = 3 dE(Ry) = 71.755098005522541 residual = 83.365581711974059
2987 … ik = 105 is = 1 idiag = 4 dE(Ry) = 47.824144774629744 residual = 55.401168476000592
2988 … ik = 105 is = 1 idiag = 5 dE(Ry) = 30.583406072378921 residual = 35.144372497794365
2989 … ik = 105 is = 1 idiag = 6 dE(Ry) = 18.663384049441962 residual = 21.395938990480701
2990 … ik = 105 is = 1 idiag = 7 dE(Ry) = 10.415596286073253 residual = 12.059014373889935
2991 … ik = 105 is = 1 idiag = 8 dE(Ry) = 5.822617048783118 residual = 7.808102425405446
2992 … ik = 105 is = 1 idiag = 9 dE(Ry) = 6.389631232827684 residual = 9.067042201646011
2993 … ik = 105 is = 1 idiag = 10 dE(Ry) = 3.565298979969061 residual = 5.509906376445247
2994 … ik = 105 is = 1 idiag = 11 dE(Ry) = 3.401499638017811 residual = 5.131247240936343
2995 … ik = 105 is = 1 idiag = 12 dE(Ry) = 1.366064552866892 residual = 1.949194832362758
2996 … ik = 105 is = 1 idiag = 13 dE(Ry) = 0.254752988106296 residual = 2.795461172079650
2997 … ik = 105 is = 1 idiag = 14 dE(Ry) = 0.561722911581961 residual = 3.247345815077218
2998 … ik = 105 is = 1 idiag = 15 dE(Ry) = 0.519940948255259 residual = 1.330780613942204
2999 … ik = 105 is = 1 idiag = 16 dE(Ry) = 0.404225696318923 residual = 1.107641456590371
3000 … ik = 105 is = 1 idiag = 17 dE(Ry) = 0.032316520272149 residual = 0.324253851441965
3001 … ik = 105 is = 1 idiag = 18 dE(Ry) = 0.001845313170988 residual = 0.059647672134684
3002 … ik = 105 is = 1 idiag = 19 dE(Ry) = 0.000053869834860 residual = 0.008478171900019
3003 … ik = 105 is = 1 idiag = 20 dE(Ry) = 0.000001036209640 residual = 0.001140641659161
3004 … ik = 105 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.001140641188491
3005 … ik = 105 is = 1 idiag = 22 dE(Ry) = 0.000000015778693 residual = 0.000176451484103
3006 … ik = 105 is = 1 idiag = 23 dE(Ry) = 0.000000000555171 residual = 0.000031987350990
3007 … ik = 105 is = 1 idiag = 24 dE(Ry) = 0.000000000017739 residual = 0.000008298025942
3008 … ik = 105 is = 1 idiag = 25 dE(Ry) = 0.000000000001220 residual = 0.000002056304620
3009 … ik = 105 is = 1 idiag = 26 dE(Ry) = 0.000000000000075 residual = 0.000000501703189
3010 … ik = 105 is = 1 idiag = 27 dE(Ry) = 0.000000000000034 residual = 0.000000217826234
3011 … ik = 105 is = 1 idiag = 28 dE(Ry) = 0.000000000000015 residual = 0.000000106001628
3012 … ik = 105 is = 1 idiag = 29 dE(Ry) = 0.000000000000014 residual = 0.000000062194215
3013 … ik = 106 is = 1 idiag = 1 dE(Ry) = 241.152834603339755 residual = 262.509108990617904
3014 … ik = 106 is = 1 idiag = 2 dE(Ry) = 53.670934609701334 residual = 70.670052925782713
3015 … ik = 106 is = 1 idiag = 3 dE(Ry) = 71.983438534912580 residual = 83.762223935452226
3016 … ik = 106 is = 1 idiag = 4 dE(Ry) = 47.789688660178157 residual = 55.312448930522379
3017 … ik = 106 is = 1 idiag = 5 dE(Ry) = 30.561809423751129 residual = 35.204057087925221
3018 … ik = 106 is = 1 idiag = 6 dE(Ry) = 18.321901028434411 residual = 21.245650038065012
3019 … ik = 106 is = 1 idiag = 7 dE(Ry) = 10.595227996839352 residual = 12.366620695942741
3020 … ik = 106 is = 1 idiag = 8 dE(Ry) = 5.820822376496351 residual = 7.553875527079561
3021 … ik = 106 is = 1 idiag = 9 dE(Ry) = 6.356045577106857 residual = 9.067194266012386
3022 … ik = 106 is = 1 idiag = 10 dE(Ry) = 3.731144312122151 residual = 5.692383893223668
3023 … ik = 106 is = 1 idiag = 11 dE(Ry) = 3.318063268124332 residual = 5.090648971821150
3024 … ik = 106 is = 1 idiag = 12 dE(Ry) = 1.916823752224347 residual = 2.672515461296396
3025 … ik = 106 is = 1 idiag = 13 dE(Ry) = 0.290787207222455 residual = 2.690640829075217
3026 … ik = 106 is = 1 idiag = 14 dE(Ry) = 0.593521203502686 residual = 3.474435574032395
3027 … ik = 106 is = 1 idiag = 15 dE(Ry) = 0.484751779993040 residual = 3.537512927832494
3028 … ik = 106 is = 1 idiag = 16 dE(Ry) = 0.487175187019443 residual = 1.091072236624806
3029 … ik = 106 is = 1 idiag = 17 dE(Ry) = 0.018079972951711 residual = 0.238757216244490
3030 … ik = 106 is = 1 idiag = 18 dE(Ry) = 0.001067687986135 residual = 0.051791532156889
3031 … ik = 106 is = 1 idiag = 19 dE(Ry) = 0.000043592750988 residual = 0.008063668899722
3032 … ik = 106 is = 1 idiag = 20 dE(Ry) = 0.000000935410227 residual = 0.001101390444535
3033 … ik = 106 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.001101390047314
3034 … ik = 106 is = 1 idiag = 22 dE(Ry) = 0.000000014079303 residual = 0.000163092612992
3035 … ik = 106 is = 1 idiag = 23 dE(Ry) = 0.000000000460423 residual = 0.000031541099323
3036 … ik = 106 is = 1 idiag = 24 dE(Ry) = 0.000000000018228 residual = 0.000008385463193
3037 … ik = 106 is = 1 idiag = 25 dE(Ry) = 0.000000000001310 residual = 0.000002060032599
3038 … ik = 106 is = 1 idiag = 26 dE(Ry) = 0.000000000000081 residual = 0.000000557346530
3039 … ik = 106 is = 1 idiag = 27 dE(Ry) = 0.000000000000019 residual = 0.000000229667799
3040 … ik = 106 is = 1 idiag = 28 dE(Ry) = 0.000000000000016 residual = 0.000000082238751
3041 … ik = 107 is = 1 idiag = 1 dE(Ry) = 240.498856109130969 residual = 261.900717493170418
3042 … ik = 107 is = 1 idiag = 2 dE(Ry) = 53.867614633241544 residual = 70.801199404523430
3043 … ik = 107 is = 1 idiag = 3 dE(Ry) = 71.545645566506352 residual = 83.307630751771072
3044 … ik = 107 is = 1 idiag = 4 dE(Ry) = 48.212592845540158 residual = 55.783434300852747
3045 … ik = 107 is = 1 idiag = 5 dE(Ry) = 30.430487570587147 residual = 35.074343964020372
3046 … ik = 107 is = 1 idiag = 6 dE(Ry) = 18.277002665509436 residual = 20.984354058609718
3047 … ik = 107 is = 1 idiag = 7 dE(Ry) = 10.568267333534459 residual = 12.451661897607098
3048 … ik = 107 is = 1 idiag = 8 dE(Ry) = 6.278726612130564 residual = 8.909985090787883
3049 … ik = 107 is = 1 idiag = 9 dE(Ry) = 5.755823971479895 residual = 8.547518223452764
3050 … ik = 107 is = 1 idiag = 10 dE(Ry) = 3.665075406818667 residual = 5.402178133410032
3051 … ik = 107 is = 1 idiag = 11 dE(Ry) = 3.235504693017128 residual = 4.955730923006361
3052 … ik = 107 is = 1 idiag = 12 dE(Ry) = 1.286032521075607 residual = 1.858734778728933
3053 … ik = 107 is = 1 idiag = 13 dE(Ry) = 0.308004024315937 residual = 2.605723639494294
3054 … ik = 107 is = 1 idiag = 14 dE(Ry) = 0.599422089715824 residual = 3.077031819689294
3055 … ik = 107 is = 1 idiag = 15 dE(Ry) = 0.493277438070502 residual = 4.238437328666264
3056 … ik = 107 is = 1 idiag = 16 dE(Ry) = 0.382029907566255 residual = 0.694652906434858
3057 … ik = 107 is = 1 idiag = 17 dE(Ry) = 0.007940312224110 residual = 0.128401239531955
3058 … ik = 107 is = 1 idiag = 18 dE(Ry) = 0.000246591715174 residual = 0.021806499133298
3059 … ik = 107 is = 1 idiag = 19 dE(Ry) = 0.000007098979834 residual = 0.003102045296637
3060 … ik = 107 is = 1 idiag = 20 dE(Ry) = 0.000000128574529 residual = 0.000411275872807
3061 … ik = 107 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.000411275852749
3062 … ik = 107 is = 1 idiag = 22 dE(Ry) = 0.000000001909392 residual = 0.000063244339209
3063 … ik = 107 is = 1 idiag = 23 dE(Ry) = 0.000000000066440 residual = 0.000012510175402
3064 … ik = 107 is = 1 idiag = 24 dE(Ry) = 0.000000000002851 residual = 0.000003326193234
3065 … ik = 107 is = 1 idiag = 25 dE(Ry) = 0.000000000000208 residual = 0.000000807109673
3066 … ik = 107 is = 1 idiag = 26 dE(Ry) = 0.000000000000024 residual = 0.000000204643049
3067 … ik = 107 is = 1 idiag = 27 dE(Ry) = 0.000000000000018 residual = 0.000000086473074
3068 … ik = 108 is = 1 idiag = 1 dE(Ry) = 240.618561016592963 residual = 261.949234662485878
3069 … ik = 108 is = 1 idiag = 2 dE(Ry) = 53.732002260721288 residual = 70.835410634627678
3070 … ik = 108 is = 1 idiag = 3 dE(Ry) = 71.568926446360535 residual = 83.423151106438581
3071 … ik = 108 is = 1 idiag = 4 dE(Ry) = 48.050038895352856 residual = 55.728908427877684
3072 … ik = 108 is = 1 idiag = 5 dE(Ry) = 30.703604302354591 residual = 35.273441355292960
3073 … ik = 108 is = 1 idiag = 6 dE(Ry) = 18.398340799498005 residual = 21.177743995368804
3074 … ik = 108 is = 1 idiag = 7 dE(Ry) = 10.422274414797183 residual = 12.147839338046417
3075 … ik = 108 is = 1 idiag = 8 dE(Ry) = 5.993847970554938 residual = 8.554007682859007
3076 … ik = 108 is = 1 idiag = 9 dE(Ry) = 5.935533465702391 residual = 8.582831564605643
3077 … ik = 108 is = 1 idiag = 10 dE(Ry) = 3.747449690835919 residual = 5.341772589541238
3078 … ik = 108 is = 1 idiag = 11 dE(Ry) = 3.249677527114367 residual = 5.108915067401642
3079 … ik = 108 is = 1 idiag = 12 dE(Ry) = 1.295122250300604 residual = 1.883419891158623
3080 … ik = 108 is = 1 idiag = 13 dE(Ry) = 0.256451921970351 residual = 2.601460453301939
3081 … ik = 108 is = 1 idiag = 14 dE(Ry) = 0.563054570873354 residual = 3.525549651571017
3082 … ik = 108 is = 1 idiag = 15 dE(Ry) = 0.516630619766472 residual = 1.089993623085295
3083 … ik = 108 is = 1 idiag = 16 dE(Ry) = 0.487809434997065 residual = 0.946005314056620
3084 … ik = 108 is = 1 idiag = 17 dE(Ry) = 0.012048494339055 residual = 0.185958187232502
3085 … ik = 108 is = 1 idiag = 18 dE(Ry) = 0.000650790926152 residual = 0.036166104033237
3086 … ik = 108 is = 1 idiag = 19 dE(Ry) = 0.000023320990705 residual = 0.005720914285737
3087 … ik = 108 is = 1 idiag = 20 dE(Ry) = 0.000000489535691 residual = 0.000734814520551
3088 … ik = 108 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.000734814357486
3089 … ik = 108 is = 1 idiag = 22 dE(Ry) = 0.000000007069967 residual = 0.000117818722860
3090 … ik = 108 is = 1 idiag = 23 dE(Ry) = 0.000000000246599 residual = 0.000019982681170
3091 … ik = 108 is = 1 idiag = 24 dE(Ry) = 0.000000000007722 residual = 0.000005565062200
3092 … ik = 108 is = 1 idiag = 25 dE(Ry) = 0.000000000000576 residual = 0.000001642634818
3093 … ik = 108 is = 1 idiag = 26 dE(Ry) = 0.000000000000066 residual = 0.000000431622989
3094 … ik = 108 is = 1 idiag = 27 dE(Ry) = 0.000000000000020 residual = 0.000000204099501
3095 … ik = 108 is = 1 idiag = 28 dE(Ry) = 0.000000000000017 residual = 0.000000089375225
3096 … ik = 109 is = 1 idiag = 1 dE(Ry) = 240.641889804543723 residual = 262.103586659221264
3097 … ik = 109 is = 1 idiag = 2 dE(Ry) = 54.105344318621093 residual = 71.004298835846981
3098 … ik = 109 is = 1 idiag = 3 dE(Ry) = 71.812405872619081 residual = 83.817726409438976
3099 … ik = 109 is = 1 idiag = 4 dE(Ry) = 48.070028857128889 residual = 55.605675774452614
3100 … ik = 109 is = 1 idiag = 5 dE(Ry) = 30.798274385342836 residual = 35.516592662092208
3101 … ik = 109 is = 1 idiag = 6 dE(Ry) = 18.413153964306797 residual = 21.301411814199913
3102 … ik = 109 is = 1 idiag = 7 dE(Ry) = 10.608873187552437 residual = 12.161305832362302
3103 … ik = 109 is = 1 idiag = 8 dE(Ry) = 6.166208088039435 residual = 8.829661475146581
3104 … ik = 109 is = 1 idiag = 9 dE(Ry) = 6.544817569277106 residual = 9.294880719105278
3105 … ik = 109 is = 1 idiag = 10 dE(Ry) = 3.199556625756092 residual = 5.029851742899949
3106 … ik = 109 is = 1 idiag = 11 dE(Ry) = 3.307888466079735 residual = 5.050405598861591
3107 … ik = 109 is = 1 idiag = 12 dE(Ry) = 1.064527815267284 residual = 1.673451613030961
3108 … ik = 109 is = 1 idiag = 13 dE(Ry) = 0.310029694125483 residual = 2.896686485175807
3109 … ik = 109 is = 1 idiag = 14 dE(Ry) = 0.553738247338020 residual = 3.547008088422325
3110 … ik = 109 is = 1 idiag = 15 dE(Ry) = 0.513991581301315 residual = 1.522022375787884
3111 … ik = 109 is = 1 idiag = 16 dE(Ry) = 0.488065730974592 residual = 1.483493512902114
3112 … ik = 109 is = 1 idiag = 17 dE(Ry) = 0.025274562864465 residual = 0.369588564794754
3113 … ik = 109 is = 1 idiag = 18 dE(Ry) = 0.002435009924139 residual = 0.074513739095960
3114 … ik = 109 is = 1 idiag = 19 dE(Ry) = 0.000091424119781 residual = 0.012794229011360
3115 … ik = 109 is = 1 idiag = 20 dE(Ry) = 0.000002275962370 residual = 0.001701920100483
3116 … ik = 109 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.001701918578671
3117 … ik = 109 is = 1 idiag = 22 dE(Ry) = 0.000000034511689 residual = 0.000253793266199
3118 … ik = 109 is = 1 idiag = 23 dE(Ry) = 0.000000001191192 residual = 0.000057500609435
3119 … ik = 109 is = 1 idiag = 24 dE(Ry) = 0.000000000062823 residual = 0.000015511977562
3120 … ik = 109 is = 1 idiag = 25 dE(Ry) = 0.000000000003973 residual = 0.000003498391786
3121 … ik = 109 is = 1 idiag = 26 dE(Ry) = 0.000000000000243 residual = 0.000001126592307
3122 … ik = 109 is = 1 idiag = 27 dE(Ry) = 0.000000000000036 residual = 0.000000496495965
3123 … ik = 109 is = 1 idiag = 28 dE(Ry) = 0.000000000000018 residual = 0.000000153701850
3124 … ik = 109 is = 1 idiag = 29 dE(Ry) = 0.000000000000014 residual = 0.000000046383487
3125 … ik = 110 is = 1 idiag = 1 dE(Ry) = 240.954236631625292 residual = 262.411780159887655
3126 … ik = 110 is = 1 idiag = 2 dE(Ry) = 53.636495416903955 residual = 70.769956231852433
3127 … ik = 110 is = 1 idiag = 3 dE(Ry) = 71.952099347822497 residual = 83.819586139865933
3128 … ik = 110 is = 1 idiag = 4 dE(Ry) = 48.088951667925656 residual = 55.514420890707278
3129 … ik = 110 is = 1 idiag = 5 dE(Ry) = 30.433179078594961 residual = 34.890776271248470
3130 … ik = 110 is = 1 idiag = 6 dE(Ry) = 18.589807596743903 residual = 21.429717551557314
3131 … ik = 110 is = 1 idiag = 7 dE(Ry) = 10.667384949842468 residual = 12.500351938303950
3132 … ik = 110 is = 1 idiag = 8 dE(Ry) = 5.779546831891686 residual = 8.277389510224792
3133 … ik = 110 is = 1 idiag = 9 dE(Ry) = 6.154570236273260 residual = 8.789398663244214
3134 … ik = 110 is = 1 idiag = 10 dE(Ry) = 3.944547984642375 residual = 5.554872291072426
3135 … ik = 110 is = 1 idiag = 11 dE(Ry) = 3.308820485398563 residual = 5.125965093330773
3136 … ik = 110 is = 1 idiag = 12 dE(Ry) = 1.488594005304062 residual = 2.053304121713589
3137 … ik = 110 is = 1 idiag = 13 dE(Ry) = 0.259103153206937 residual = 2.450042655182314
3138 … ik = 110 is = 1 idiag = 14 dE(Ry) = 0.627362967021386 residual = 3.371472307181395
3139 … ik = 110 is = 1 idiag = 15 dE(Ry) = 0.348712411794112 residual = 4.233844503345239
3140 … ik = 110 is = 1 idiag = 16 dE(Ry) = 0.514386298896900 residual = 0.944959047643301
3141 … ik = 110 is = 1 idiag = 17 dE(Ry) = 0.013705514936296 residual = 0.166203760269474
3142 … ik = 110 is = 1 idiag = 18 dE(Ry) = 0.000525467965661 residual = 0.033441794060796
3143 … ik = 110 is = 1 idiag = 19 dE(Ry) = 0.000018116896023 residual = 0.005818601396684
3144 … ik = 110 is = 1 idiag = 20 dE(Ry) = 0.000000454274727 residual = 0.000772033084574
3145 … ik = 110 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.000772032950923
3146 … ik = 110 is = 1 idiag = 22 dE(Ry) = 0.000000006993028 residual = 0.000114634964810
3147 … ik = 110 is = 1 idiag = 23 dE(Ry) = 0.000000000258500 residual = 0.000025153912021
3148 … ik = 110 is = 1 idiag = 24 dE(Ry) = 0.000000000010996 residual = 0.000007325410882
3149 … ik = 110 is = 1 idiag = 25 dE(Ry) = 0.000000000000967 residual = 0.000001679666777
3150 … ik = 110 is = 1 idiag = 26 dE(Ry) = 0.000000000000046 residual = 0.000000368850971
3151 … ik = 110 is = 1 idiag = 27 dE(Ry) = 0.000000000000016 residual = 0.000000172221267
3152 … ik = 110 is = 1 idiag = 28 dE(Ry) = 0.000000000000017 residual = 0.000000064793661
3153 … ik = 111 is = 1 idiag = 1 dE(Ry) = 240.728543384315998 residual = 262.205746781740686
3154 … ik = 111 is = 1 idiag = 2 dE(Ry) = 53.612310903787801 residual = 70.597059153712351
3155 … ik = 111 is = 1 idiag = 3 dE(Ry) = 71.847498347050475 residual = 83.697954833910558
3156 … ik = 111 is = 1 idiag = 4 dE(Ry) = 48.088756987198778 residual = 55.513652231095641
3157 … ik = 111 is = 1 idiag = 5 dE(Ry) = 30.432173129051293 residual = 35.160023203138273
3158 … ik = 111 is = 1 idiag = 6 dE(Ry) = 18.301661815684959 residual = 21.094379309595208
3159 … ik = 111 is = 1 idiag = 7 dE(Ry) = 10.369605040642801 residual = 12.098419268422537
3160 … ik = 111 is = 1 idiag = 8 dE(Ry) = 6.115057017541126 residual = 8.566355260102606
3161 … ik = 111 is = 1 idiag = 9 dE(Ry) = 6.223495291833832 residual = 9.002784705984430
3162 … ik = 111 is = 1 idiag = 10 dE(Ry) = 3.367310915555713 residual = 5.200681045887665
3163 … ik = 111 is = 1 idiag = 11 dE(Ry) = 3.198518100643600 residual = 5.159208163958899
3164 … ik = 111 is = 1 idiag = 12 dE(Ry) = 1.316414519842291 residual = 1.903695717034929
3165 … ik = 111 is = 1 idiag = 13 dE(Ry) = 0.296406824482854 residual = 2.886944660488425
3166 … ik = 111 is = 1 idiag = 14 dE(Ry) = 0.568128471994077 residual = 3.429933974866270
3167 … ik = 111 is = 1 idiag = 15 dE(Ry) = 0.538795649812117 residual = 1.722710799380608
3168 … ik = 111 is = 1 idiag = 16 dE(Ry) = 0.487230017878297 residual = 1.261472965466427
3169 … ik = 111 is = 1 idiag = 17 dE(Ry) = 0.023146861535993 residual = 0.289474607698016
3170 … ik = 111 is = 1 idiag = 18 dE(Ry) = 0.001378987436638 residual = 0.052732019127906
3171 … ik = 111 is = 1 idiag = 19 dE(Ry) = 0.000043632859668 residual = 0.008788140237059
3172 … ik = 111 is = 1 idiag = 20 dE(Ry) = 0.000001103890878 residual = 0.001065627591874
3173 … ik = 111 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.001065627020110
3174 … ik = 111 is = 1 idiag = 22 dE(Ry) = 0.000000014712144 residual = 0.000150930769569
3175 … ik = 111 is = 1 idiag = 23 dE(Ry) = 0.000000000479004 residual = 0.000032754933785
3176 … ik = 111 is = 1 idiag = 24 dE(Ry) = 0.000000000020131 residual = 0.000009423554506
3177 … ik = 111 is = 1 idiag = 25 dE(Ry) = 0.000000000001690 residual = 0.000002397884742
3178 … ik = 111 is = 1 idiag = 26 dE(Ry) = 0.000000000000108 residual = 0.000000696427434
3179 … ik = 111 is = 1 idiag = 27 dE(Ry) = 0.000000000000017 residual = 0.000000355149090
3180 … ik = 111 is = 1 idiag = 28 dE(Ry) = 0.000000000000016 residual = 0.000000143619373
3181 … ik = 111 is = 1 idiag = 29 dE(Ry) = 0.000000000000017 residual = 0.000000042746378
3182 … ik = 112 is = 1 idiag = 1 dE(Ry) = 241.015630911302679 residual = 262.486762692243701
3183 … ik = 112 is = 1 idiag = 2 dE(Ry) = 53.880455151147288 residual = 70.830324811248033
3184 … ik = 112 is = 1 idiag = 3 dE(Ry) = 71.503850242815901 residual = 83.252936897120776
3185 … ik = 112 is = 1 idiag = 4 dE(Ry) = 48.017677803508960 residual = 55.397305307896247
3186 … ik = 112 is = 1 idiag = 5 dE(Ry) = 30.728377563247690 residual = 35.386367782692844
3187 … ik = 112 is = 1 idiag = 6 dE(Ry) = 18.507089772944816 residual = 21.307903141244729
3188 … ik = 112 is = 1 idiag = 7 dE(Ry) = 10.477478143756857 residual = 12.152051757203305
3189 … ik = 112 is = 1 idiag = 8 dE(Ry) = 5.756495475112591 residual = 7.541985838205513
3190 … ik = 112 is = 1 idiag = 9 dE(Ry) = 6.695355505719596 residual = 9.367584318376009
3191 … ik = 112 is = 1 idiag = 10 dE(Ry) = 3.750496495899222 residual = 5.642009450338846
3192 … ik = 112 is = 1 idiag = 11 dE(Ry) = 3.252043245257901 residual = 5.193241549621835
3193 … ik = 112 is = 1 idiag = 12 dE(Ry) = 1.253391891180047 residual = 1.895549417660201
3194 … ik = 112 is = 1 idiag = 13 dE(Ry) = 0.263690746927999 residual = 2.786258541423371
3195 … ik = 112 is = 1 idiag = 14 dE(Ry) = 0.557096312743731 residual = 3.489359408319986
3196 … ik = 112 is = 1 idiag = 15 dE(Ry) = 0.559150995749577 residual = 1.217709384384281
3197 … ik = 112 is = 1 idiag = 16 dE(Ry) = 0.402227718182634 residual = 1.533909779297786
3198 … ik = 112 is = 1 idiag = 17 dE(Ry) = 0.035695602797124 residual = 0.343594899624120
3199 … ik = 112 is = 1 idiag = 18 dE(Ry) = 0.002005161689813 residual = 0.065194028521822
3200 … ik = 112 is = 1 idiag = 19 dE(Ry) = 0.000066083213893 residual = 0.009577151972951
3201 … ik = 112 is = 1 idiag = 20 dE(Ry) = 0.000001196078235 residual = 0.001156959323509
3202 … ik = 112 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.001156958705250
3203 … ik = 112 is = 1 idiag = 22 dE(Ry) = 0.000000015778339 residual = 0.000169926547028
3204 … ik = 112 is = 1 idiag = 23 dE(Ry) = 0.000000000493987 residual = 0.000029158293131
3205 … ik = 112 is = 1 idiag = 24 dE(Ry) = 0.000000000014974 residual = 0.000007427878159
3206 … ik = 112 is = 1 idiag = 25 dE(Ry) = 0.000000000001051 residual = 0.000002200628013
3207 … ik = 112 is = 1 idiag = 26 dE(Ry) = 0.000000000000113 residual = 0.000000820484268
3208 … ik = 112 is = 1 idiag = 27 dE(Ry) = 0.000000000000020 residual = 0.000000423730735
3209 … ik = 112 is = 1 idiag = 28 dE(Ry) = 0.000000000000015 residual = 0.000000160069844
3210 … ik = 112 is = 1 idiag = 29 dE(Ry) = 0.000000000000012 residual = 0.000000037128085
3211 … ik = 113 is = 1 idiag = 1 dE(Ry) = 241.269436474768611 residual = 262.654342057147119
3212 … ik = 113 is = 1 idiag = 2 dE(Ry) = 53.648253745970095 residual = 70.614405748465032
3213 … ik = 113 is = 1 idiag = 3 dE(Ry) = 71.464303038741747 residual = 83.196833304830662
3214 … ik = 113 is = 1 idiag = 4 dE(Ry) = 47.841455663894251 residual = 55.479163395722210
3215 … ik = 113 is = 1 idiag = 5 dE(Ry) = 31.083436772401726 residual = 35.676060275065105
3216 … ik = 113 is = 1 idiag = 6 dE(Ry) = 18.374723441761731 residual = 21.153093123746910
3217 … ik = 113 is = 1 idiag = 7 dE(Ry) = 10.554342837532285 residual = 12.345277783311614
3218 … ik = 113 is = 1 idiag = 8 dE(Ry) = 6.082054187122393 residual = 8.162372019443479
3219 … ik = 113 is = 1 idiag = 9 dE(Ry) = 5.818096475208376 residual = 8.787736560511421
3220 … ik = 113 is = 1 idiag = 10 dE(Ry) = 3.588553928990358 residual = 5.132321308125209
3221 … ik = 113 is = 1 idiag = 11 dE(Ry) = 3.324444523413722 residual = 5.239505003522287
3222 … ik = 113 is = 1 idiag = 12 dE(Ry) = 1.443947708387118 residual = 2.106033253821416
3223 … ik = 113 is = 1 idiag = 13 dE(Ry) = 0.306109153012160 residual = 2.888691877247004
3224 … ik = 113 is = 1 idiag = 14 dE(Ry) = 0.573809118709095 residual = 3.338406049274803
3225 … ik = 113 is = 1 idiag = 15 dE(Ry) = 0.396216282464538 residual = 3.882683363502168
3226 … ik = 113 is = 1 idiag = 16 dE(Ry) = 0.422589381831327 residual = 0.722171117123226
3227 … ik = 113 is = 1 idiag = 17 dE(Ry) = 0.009285249971830 residual = 0.140695425474481
3228 … ik = 113 is = 1 idiag = 18 dE(Ry) = 0.000393217983150 residual = 0.029391182429224
3229 … ik = 113 is = 1 idiag = 19 dE(Ry) = 0.000013975591943 residual = 0.004837731931082
3230 … ik = 113 is = 1 idiag = 20 dE(Ry) = 0.000000326162474 residual = 0.000560558604849
3231 … ik = 113 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.000560558509959
3232 … ik = 113 is = 1 idiag = 22 dE(Ry) = 0.000000004243106 residual = 0.000086115347804
3233 … ik = 113 is = 1 idiag = 23 dE(Ry) = 0.000000000138410 residual = 0.000015685642400
3234 … ik = 113 is = 1 idiag = 24 dE(Ry) = 0.000000000004405 residual = 0.000004177556964
3235 … ik = 113 is = 1 idiag = 25 dE(Ry) = 0.000000000000353 residual = 0.000001242798708
3236 … ik = 113 is = 1 idiag = 26 dE(Ry) = 0.000000000000026 residual = 0.000000370165581
3237 … ik = 113 is = 1 idiag = 27 dE(Ry) = 0.000000000000016 residual = 0.000000193059707
3238 … ik = 113 is = 1 idiag = 28 dE(Ry) = 0.000000000000016 residual = 0.000000063831492
3239 … ik = 114 is = 1 idiag = 1 dE(Ry) = 240.752697716337877 residual = 262.251506120816714
3240 … ik = 114 is = 1 idiag = 2 dE(Ry) = 53.768762892497591 residual = 70.813364443563088
3241 … ik = 114 is = 1 idiag = 3 dE(Ry) = 72.170379526965945 residual = 83.913885507511495
3242 … ik = 114 is = 1 idiag = 4 dE(Ry) = 47.949601303447523 residual = 55.386002908101609
3243 … ik = 114 is = 1 idiag = 5 dE(Ry) = 30.630412749199166 residual = 35.262669070448943
3244 … ik = 114 is = 1 idiag = 6 dE(Ry) = 18.365342890766556 residual = 21.197854217717019
3245 … ik = 114 is = 1 idiag = 7 dE(Ry) = 10.428982204999240 residual = 12.128362718543226
3246 … ik = 114 is = 1 idiag = 8 dE(Ry) = 5.906898796753291 residual = 8.204092092305862
3247 … ik = 114 is = 1 idiag = 9 dE(Ry) = 6.286788058413720 residual = 8.951218179346958
3248 … ik = 114 is = 1 idiag = 10 dE(Ry) = 3.423475464396218 residual = 5.208215257039787
3249 … ik = 114 is = 1 idiag = 11 dE(Ry) = 3.204634448838282 residual = 5.068382941223891
3250 … ik = 114 is = 1 idiag = 12 dE(Ry) = 1.355350979702182 residual = 1.953084192118608
3251 … ik = 114 is = 1 idiag = 13 dE(Ry) = 0.310349897163095 residual = 2.725450095815032
3252 … ik = 114 is = 1 idiag = 14 dE(Ry) = 0.613479681683613 residual = 2.725074452951916
3253 … ik = 114 is = 1 idiag = 15 dE(Ry) = 0.435994876753184 residual = 2.942597207220060
3254 … ik = 114 is = 1 idiag = 16 dE(Ry) = 0.401815506524811 residual = 1.214109470624900
3255 … ik = 114 is = 1 idiag = 17 dE(Ry) = 0.036799243850125 residual = 0.348009245370489
3256 … ik = 114 is = 1 idiag = 18 dE(Ry) = 0.002119606167324 residual = 0.073644937032984
3257 … ik = 114 is = 1 idiag = 19 dE(Ry) = 0.000085962160343 residual = 0.011367322416212
3258 … ik = 114 is = 1 idiag = 20 dE(Ry) = 0.000001663174594 residual = 0.001326345343330
3259 … ik = 114 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.001326344300557
3260 … ik = 114 is = 1 idiag = 22 dE(Ry) = 0.000000020123526 residual = 0.000199412023048
3261 … ik = 114 is = 1 idiag = 23 dE(Ry) = 0.000000000623302 residual = 0.000031278879209
3262 … ik = 114 is = 1 idiag = 24 dE(Ry) = 0.000000000016137 residual = 0.000007459345640
3263 … ik = 114 is = 1 idiag = 25 dE(Ry) = 0.000000000001076 residual = 0.000002197973597
3264 … ik = 114 is = 1 idiag = 26 dE(Ry) = 0.000000000000112 residual = 0.000000593547515
3265 … ik = 114 is = 1 idiag = 27 dE(Ry) = 0.000000000000015 residual = 0.000000261686297
3266 … ik = 114 is = 1 idiag = 28 dE(Ry) = 0.000000000000018 residual = 0.000000102593536
3267 … ik = 114 is = 1 idiag = 29 dE(Ry) = 0.000000000000018 residual = 0.000000054127707
3268 … ik = 115 is = 1 idiag = 1 dE(Ry) = 240.994473771370878 residual = 262.513413121777774
3269 … ik = 115 is = 1 idiag = 2 dE(Ry) = 53.882180166368101 residual = 70.903407845464059
3270 … ik = 115 is = 1 idiag = 3 dE(Ry) = 71.651440386883763 residual = 83.390877380416342
3271 … ik = 115 is = 1 idiag = 4 dE(Ry) = 47.921736143536577 residual = 55.259832809180153
3272 … ik = 115 is = 1 idiag = 5 dE(Ry) = 30.567991283281444 residual = 35.364393236123973
3273 … ik = 115 is = 1 idiag = 6 dE(Ry) = 18.744346212370502 residual = 21.474756724655713
3274 … ik = 115 is = 1 idiag = 7 dE(Ry) = 10.396256500600391 residual = 12.048706707673780
3275 … ik = 115 is = 1 idiag = 8 dE(Ry) = 5.707395603982992 residual = 7.759640532664970
3276 … ik = 115 is = 1 idiag = 9 dE(Ry) = 5.781543356844193 residual = 8.696623482404853
3277 … ik = 115 is = 1 idiag = 10 dE(Ry) = 3.770404923834377 residual = 5.378262801488391
3278 … ik = 115 is = 1 idiag = 11 dE(Ry) = 3.256609025633638 residual = 5.082529295251395
3279 … ik = 115 is = 1 idiag = 12 dE(Ry) = 1.330064653292157 residual = 1.948719314118302
3280 … ik = 115 is = 1 idiag = 13 dE(Ry) = 0.290400801031761 residual = 2.934261673037307
3281 … ik = 115 is = 1 idiag = 14 dE(Ry) = 0.522033076861342 residual = 3.366622928184666
3282 … ik = 115 is = 1 idiag = 15 dE(Ry) = 0.517357184351077 residual = 1.178144070501854
3283 … ik = 115 is = 1 idiag = 16 dE(Ry) = 0.301430872970429 residual = 1.541621953274146
3284 … ik = 115 is = 1 idiag = 17 dE(Ry) = 0.047928137417627 residual = 0.383602875699860
3285 … ik = 115 is = 1 idiag = 18 dE(Ry) = 0.002516242630456 residual = 0.061759939074067
3286 … ik = 115 is = 1 idiag = 19 dE(Ry) = 0.000054034484477 residual = 0.008911134135340
3287 … ik = 115 is = 1 idiag = 20 dE(Ry) = 0.000001029660036 residual = 0.001175462490079
3288 … ik = 115 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.001175462039107
3289 … ik = 115 is = 1 idiag = 22 dE(Ry) = 0.000000015815686 residual = 0.000182261612258
3290 … ik = 115 is = 1 idiag = 23 dE(Ry) = 0.000000000544987 residual = 0.000031149679001
3291 … ik = 115 is = 1 idiag = 24 dE(Ry) = 0.000000000017788 residual = 0.000008557034559
3292 … ik = 115 is = 1 idiag = 25 dE(Ry) = 0.000000000001292 residual = 0.000002083449029
3293 … ik = 115 is = 1 idiag = 26 dE(Ry) = 0.000000000000102 residual = 0.000000478086464
3294 … ik = 115 is = 1 idiag = 27 dE(Ry) = 0.000000000000016 residual = 0.000000169947112
3295 … ik = 115 is = 1 idiag = 28 dE(Ry) = 0.000000000000016 residual = 0.000000076101432
3296 … ik = 116 is = 1 idiag = 1 dE(Ry) = 241.112607243682874 residual = 262.572761812767567
3297 … ik = 116 is = 1 idiag = 2 dE(Ry) = 53.618874943007569 residual = 70.574603363283970
3298 … ik = 116 is = 1 idiag = 3 dE(Ry) = 71.988382899143005 residual = 83.733999447507486
3299 … ik = 116 is = 1 idiag = 4 dE(Ry) = 48.204224838451935 residual = 55.744182105797250
3300 … ik = 116 is = 1 idiag = 5 dE(Ry) = 30.542982466916058 residual = 35.211029240837433
3301 … ik = 116 is = 1 idiag = 6 dE(Ry) = 18.143266460218129 residual = 20.980411809442078
3302 … ik = 116 is = 1 idiag = 7 dE(Ry) = 10.348846008261649 residual = 12.089794044670372
3303 … ik = 116 is = 1 idiag = 8 dE(Ry) = 5.825094987226670 residual = 8.608778818805281
3304 … ik = 116 is = 1 idiag = 9 dE(Ry) = 6.528077778985633 residual = 9.057281260845340
3305 … ik = 116 is = 1 idiag = 10 dE(Ry) = 3.492882154045674 residual = 5.179203432909904
3306 … ik = 116 is = 1 idiag = 11 dE(Ry) = 3.344425578718707 residual = 5.083347708941227
3307 … ik = 116 is = 1 idiag = 12 dE(Ry) = 1.707682532510271 residual = 2.379236387486621
3308 … ik = 116 is = 1 idiag = 13 dE(Ry) = 0.282180473915403 residual = 2.998133489062342
3309 … ik = 116 is = 1 idiag = 14 dE(Ry) = 0.537649587831334 residual = 3.298606691282711
3310 … ik = 116 is = 1 idiag = 15 dE(Ry) = 0.582057276611078 residual = 2.931584024113363
3311 … ik = 116 is = 1 idiag = 16 dE(Ry) = 0.151426581190232 residual = 0.567924822681002
3312 … ik = 116 is = 1 idiag = 17 dE(Ry) = 0.005334321513374 residual = 0.091942456949076
3313 … ik = 116 is = 1 idiag = 18 dE(Ry) = 0.000147933138141 residual = 0.017345356348714
3314 … ik = 116 is = 1 idiag = 19 dE(Ry) = 0.000005842075862 residual = 0.003382641559920
3315 … ik = 116 is = 1 idiag = 20 dE(Ry) = 0.000000152570845 residual = 0.000390796423653
3316 … ik = 116 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.000390796393870
3317 … ik = 116 is = 1 idiag = 22 dE(Ry) = 0.000000001936282 residual = 0.000059287849707
3318 … ik = 116 is = 1 idiag = 23 dE(Ry) = 0.000000000066430 residual = 0.000011536400349
3319 … ik = 116 is = 1 idiag = 24 dE(Ry) = 0.000000000002313 residual = 0.000002953487339
3320 … ik = 116 is = 1 idiag = 25 dE(Ry) = 0.000000000000175 residual = 0.000000858361036
3321 … ik = 116 is = 1 idiag = 26 dE(Ry) = 0.000000000000023 residual = 0.000000259997009
3322 … ik = 116 is = 1 idiag = 27 dE(Ry) = 0.000000000000015 residual = 0.000000136420439
3323 … ik = 116 is = 1 idiag = 28 dE(Ry) = 0.000000000000019 residual = 0.000000046378832
3324 … ik = 117 is = 1 idiag = 1 dE(Ry) = 241.269140525438985 residual = 262.719862190775530
3325 … ik = 117 is = 1 idiag = 2 dE(Ry) = 53.832130514443207 residual = 70.731198142853174
3326 … ik = 117 is = 1 idiag = 3 dE(Ry) = 72.083875212484344 residual = 83.925274929425768
3327 … ik = 117 is = 1 idiag = 4 dE(Ry) = 48.154534559325853 residual = 55.713553090410841
3328 … ik = 117 is = 1 idiag = 5 dE(Ry) = 30.537776235675338 residual = 35.201955721420951
3329 … ik = 117 is = 1 idiag = 6 dE(Ry) = 18.498524315829698 residual = 21.248742480718658
3330 … ik = 117 is = 1 idiag = 7 dE(Ry) = 10.538238251869110 residual = 12.231882155459498
3331 … ik = 117 is = 1 idiag = 8 dE(Ry) = 6.088219817501852 residual = 8.561113263514814
3332 … ik = 117 is = 1 idiag = 9 dE(Ry) = 5.720888114893690 residual = 8.664129549880657
3333 … ik = 117 is = 1 idiag = 10 dE(Ry) = 3.706006094224503 residual = 5.531307209272671
3334 … ik = 117 is = 1 idiag = 11 dE(Ry) = 3.327161941462593 residual = 5.107107998439339
3335 … ik = 117 is = 1 idiag = 12 dE(Ry) = 1.314954520560647 residual = 1.907104846771910
3336 … ik = 117 is = 1 idiag = 13 dE(Ry) = 0.272112159132210 residual = 2.973331601691246
3337 … ik = 117 is = 1 idiag = 14 dE(Ry) = 0.575879774142033 residual = 3.516530956302714
3338 … ik = 117 is = 1 idiag = 15 dE(Ry) = 0.507716793745652 residual = 1.289006120136204
3339 … ik = 117 is = 1 idiag = 16 dE(Ry) = 0.301274607618407 residual = 1.161698159881955
3340 … ik = 117 is = 1 idiag = 17 dE(Ry) = 0.020269840386935 residual = 0.239145857384605
3341 … ik = 117 is = 1 idiag = 18 dE(Ry) = 0.001035083848065 residual = 0.052311827058198
3342 … ik = 117 is = 1 idiag = 19 dE(Ry) = 0.000042987081395 residual = 0.009824747758624
3343 … ik = 117 is = 1 idiag = 20 dE(Ry) = 0.000001324500686 residual = 0.001291531402624
3344 … ik = 117 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.001291530723468
3345 … ik = 117 is = 1 idiag = 22 dE(Ry) = 0.000000019220200 residual = 0.000190256586827
3346 … ik = 117 is = 1 idiag = 23 dE(Ry) = 0.000000000554136 residual = 0.000036597272041
3347 … ik = 117 is = 1 idiag = 24 dE(Ry) = 0.000000000024666 residual = 0.000009700468913
3348 … ik = 117 is = 1 idiag = 25 dE(Ry) = 0.000000000001804 residual = 0.000002402703713
3349 … ik = 117 is = 1 idiag = 26 dE(Ry) = 0.000000000000133 residual = 0.000000808313169
3350 … ik = 117 is = 1 idiag = 27 dE(Ry) = 0.000000000000022 residual = 0.000000444333093
3351 … ik = 117 is = 1 idiag = 28 dE(Ry) = 0.000000000000021 residual = 0.000000149749127
3352 … ik = 117 is = 1 idiag = 29 dE(Ry) = 0.000000000000013 residual = 0.000000042214601
3353 … ik = 118 is = 1 idiag = 1 dE(Ry) = 241.259611951318220 residual = 262.723145041043210
3354 … ik = 118 is = 1 idiag = 2 dE(Ry) = 53.859866361336259 residual = 70.738576479804408
3355 … ik = 118 is = 1 idiag = 3 dE(Ry) = 71.650775143383555 residual = 83.412369787368291
3356 … ik = 118 is = 1 idiag = 4 dE(Ry) = 48.309491289365795 residual = 55.983091139490675
3357 … ik = 118 is = 1 idiag = 5 dE(Ry) = 30.826418388165322 residual = 35.546524405787999
3358 … ik = 118 is = 1 idiag = 6 dE(Ry) = 18.329395230331009 residual = 21.039040845124227
3359 … ik = 118 is = 1 idiag = 7 dE(Ry) = 10.327782703694115 residual = 12.037779072493425
3360 … ik = 118 is = 1 idiag = 8 dE(Ry) = 5.880608144799040 residual = 8.258958516733733
3361 … ik = 118 is = 1 idiag = 9 dE(Ry) = 6.069758012477209 residual = 8.775373853499078
3362 … ik = 118 is = 1 idiag = 10 dE(Ry) = 4.217859744899160 residual = 6.159403572278834
3363 … ik = 118 is = 1 idiag = 11 dE(Ry) = 3.218139520824574 residual = 5.141193426037850
3364 … ik = 118 is = 1 idiag = 12 dE(Ry) = 1.385432667210726 residual = 1.969960653028484
3365 … ik = 118 is = 1 idiag = 13 dE(Ry) = 0.328693207579191 residual = 2.911766939220365
3366 … ik = 118 is = 1 idiag = 14 dE(Ry) = 0.606687582676863 residual = 3.121070168138580
3367 … ik = 118 is = 1 idiag = 15 dE(Ry) = 0.406825604667739 residual = 1.680697789303233
3368 … ik = 118 is = 1 idiag = 16 dE(Ry) = 0.206145793735885 residual = 1.084585393238133
3369 … ik = 118 is = 1 idiag = 17 dE(Ry) = 0.020250877865373 residual = 0.211850946519891
3370 … ik = 118 is = 1 idiag = 18 dE(Ry) = 0.000870443227942 residual = 0.045807620167489
3371 … ik = 118 is = 1 idiag = 19 dE(Ry) = 0.000034600580017 residual = 0.007524862234237
3372 … ik = 118 is = 1 idiag = 20 dE(Ry) = 0.000000857701636 residual = 0.000984503578912
3373 … ik = 118 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.000984503205296
3374 … ik = 118 is = 1 idiag = 22 dE(Ry) = 0.000000012826152 residual = 0.000147585044244
3375 … ik = 118 is = 1 idiag = 23 dE(Ry) = 0.000000000441803 residual = 0.000029794899418
3376 … ik = 118 is = 1 idiag = 24 dE(Ry) = 0.000000000017217 residual = 0.000008740385359
3377 … ik = 118 is = 1 idiag = 25 dE(Ry) = 0.000000000001406 residual = 0.000002334141442
3378 … ik = 118 is = 1 idiag = 26 dE(Ry) = 0.000000000000112 residual = 0.000000506359171
3379 … ik = 118 is = 1 idiag = 27 dE(Ry) = 0.000000000000025 residual = 0.000000220146977
3380 … ik = 118 is = 1 idiag = 28 dE(Ry) = 0.000000000000016 residual = 0.000000077048572
3381 … ik = 119 is = 1 idiag = 1 dE(Ry) = 241.384325972709007 residual = 262.706651352128915
3382 … ik = 119 is = 1 idiag = 2 dE(Ry) = 53.893098961756266 residual = 70.904829682116130
3383 … ik = 119 is = 1 idiag = 3 dE(Ry) = 72.256161167108331 residual = 83.792060833902454
3384 … ik = 119 is = 1 idiag = 4 dE(Ry) = 47.929447856419984 residual = 55.506695720277861
3385 … ik = 119 is = 1 idiag = 5 dE(Ry) = 30.778054412733880 residual = 35.299769012555998
3386 … ik = 119 is = 1 idiag = 6 dE(Ry) = 18.231718755371759 residual = 21.167966763389185
3387 … ik = 119 is = 1 idiag = 7 dE(Ry) = 10.555848090201456 residual = 12.363002607161061
3388 … ik = 119 is = 1 idiag = 8 dE(Ry) = 5.801573753453916 residual = 7.816038411791739
3389 … ik = 119 is = 1 idiag = 9 dE(Ry) = 5.870998221903481 residual = 8.804831087788251
3390 … ik = 119 is = 1 idiag = 10 dE(Ry) = 3.506546188282499 residual = 5.500450022200297
3391 … ik = 119 is = 1 idiag = 11 dE(Ry) = 3.316294011281271 residual = 5.213006907984830
3392 … ik = 119 is = 1 idiag = 12 dE(Ry) = 1.419289917353484 residual = 2.029933434194260
3393 … ik = 119 is = 1 idiag = 13 dE(Ry) = 0.342537509406390 residual = 2.893077919574885
3394 … ik = 119 is = 1 idiag = 14 dE(Ry) = 0.572333228760140 residual = 3.572467383363825
3395 … ik = 119 is = 1 idiag = 15 dE(Ry) = 0.340696562345999 residual = 3.031657382241033
3396 … ik = 119 is = 1 idiag = 16 dE(Ry) = 0.159609752921027 residual = 0.608875448079177
3397 … ik = 119 is = 1 idiag = 17 dE(Ry) = 0.007057790992956 residual = 0.106117138717707
3398 … ik = 119 is = 1 idiag = 18 dE(Ry) = 0.000158303096426 residual = 0.018355999393085
3399 … ik = 119 is = 1 idiag = 19 dE(Ry) = 0.000004930533134 residual = 0.002843861415625
3400 … ik = 119 is = 1 idiag = 20 dE(Ry) = 0.000000111170559 residual = 0.000365749007904
3401 … ik = 119 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.000365748991009
3402 … ik = 119 is = 1 idiag = 22 dE(Ry) = 0.000000001664531 residual = 0.000059121655847
3403 … ik = 119 is = 1 idiag = 23 dE(Ry) = 0.000000000058605 residual = 0.000009644223034
3404 … ik = 119 is = 1 idiag = 24 dE(Ry) = 0.000000000001607 residual = 0.000002620305823
3405 … ik = 119 is = 1 idiag = 25 dE(Ry) = 0.000000000000152 residual = 0.000000716933157
3406 … ik = 119 is = 1 idiag = 26 dE(Ry) = 0.000000000000020 residual = 0.000000160522566
3407 … ik = 119 is = 1 idiag = 27 dE(Ry) = 0.000000000000014 residual = 0.000000078633204
3408 … ik = 120 is = 1 idiag = 1 dE(Ry) = 240.864460706324650 residual = 262.565314492920493
3409 … ik = 120 is = 1 idiag = 2 dE(Ry) = 54.015262094194327 residual = 70.943982377096873
3410 … ik = 120 is = 1 idiag = 3 dE(Ry) = 71.699126474655714 residual = 83.537541147219031
3411 … ik = 120 is = 1 idiag = 4 dE(Ry) = 47.969271388802298 residual = 55.425482381155803
3412 … ik = 120 is = 1 idiag = 5 dE(Ry) = 30.629639983645134 residual = 35.276720215743879
3413 … ik = 120 is = 1 idiag = 6 dE(Ry) = 18.321274710671084 residual = 21.136387558488806
3414 … ik = 120 is = 1 idiag = 7 dE(Ry) = 10.503845728838220 residual = 12.224955214255552
3415 … ik = 120 is = 1 idiag = 8 dE(Ry) = 5.771704658067994 residual = 8.313305176545871
3416 … ik = 120 is = 1 idiag = 9 dE(Ry) = 6.261408731220882 residual = 8.904400845806046
3417 … ik = 120 is = 1 idiag = 10 dE(Ry) = 3.443094895211892 residual = 5.056472427282127
3418 … ik = 120 is = 1 idiag = 11 dE(Ry) = 3.343162848158490 residual = 5.090200774930670
3419 … ik = 120 is = 1 idiag = 12 dE(Ry) = 1.188778624061758 residual = 1.785450984426489
3420 … ik = 120 is = 1 idiag = 13 dE(Ry) = 0.327216008436528 residual = 3.060759525775457
3421 … ik = 120 is = 1 idiag = 14 dE(Ry) = 0.588024700140511 residual = 3.932473442516965
3422 … ik = 120 is = 1 idiag = 15 dE(Ry) = 0.414638874999932 residual = 1.626135731295743
3423 … ik = 120 is = 1 idiag = 16 dE(Ry) = 0.209656476164347 residual = 1.819567876059549
3424 … ik = 120 is = 1 idiag = 17 dE(Ry) = 0.045721093394058 residual = 0.322596982448210
3425 … ik = 120 is = 1 idiag = 18 dE(Ry) = 0.001942143107334 residual = 0.065861658763763
3426 … ik = 120 is = 1 idiag = 19 dE(Ry) = 0.000072123852664 residual = 0.012411372427275
3427 … ik = 120 is = 1 idiag = 20 dE(Ry) = 0.000002368092326 residual = 0.001644456918128
3428 … ik = 120 is = 1 idiag = 21 dE(Ry) = 0.000000000000000 residual = 0.001644455213048
3429 … ik = 120 is = 1 idiag = 22 dE(Ry) = 0.000000032728348 residual = 0.000235813264459
3430 … ik = 120 is = 1 idiag = 23 dE(Ry) = 0.000000000918590 residual = 0.000047784832972
3431 … ik = 120 is = 1 idiag = 24 dE(Ry) = 0.000000000040370 residual = 0.000012992215520
3432 … ik = 120 is = 1 idiag = 25 dE(Ry) = 0.000000000003137 residual = 0.000003102095487
3433 … ik = 120 is = 1 idiag = 26 dE(Ry) = 0.000000000000181 residual = 0.000000827904416
3434 … ik = 120 is = 1 idiag = 27 dE(Ry) = 0.000000000000028 residual = 0.000000387576996
3435 … ik = 120 is = 1 idiag = 28 dE(Ry) = 0.000000000000017 residual = 0.000000146471081
3436 … ik = 120 is = 1 idiag = 29 dE(Ry) = 0.000000000000012 residual = 0.000000043961009
3449 Checking orthonormality for ik = 1 is = 1
3450 Checking orthonormality for ik = 2 is = 1
3451 Checking orthonormality for ik = 3 is = 1
3452 Checking orthonormality for ik = 4 is = 1
3453 Checking orthonormality for ik = 5 is = 1
3454 Checking orthonormality for ik = 6 is = 1
3455 Checking orthonormality for ik = 7 is = 1
3456 Checking orthonormality for ik = 8 is = 1
3457 Checking orthonormality for ik = 9 is = 1
3458 Checking orthonormality for ik = 10 is = 1
3459 Checking orthonormality for ik = 11 is = 1
3460 Checking orthonormality for ik = 12 is = 1
3461 Checking orthonormality for ik = 13 is = 1
3462 Checking orthonormality for ik = 14 is = 1
3463 Checking orthonormality for ik = 15 is = 1
3464 Checking orthonormality for ik = 16 is = 1
3465 Checking orthonormality for ik = 17 is = 1
3466 Checking orthonormality for ik = 18 is = 1
3467 Checking orthonormality for ik = 19 is = 1
3468 Checking orthonormality for ik = 20 is = 1
3469 Checking orthonormality for ik = 21 is = 1
3470 Checking orthonormality for ik = 22 is = 1
3471 Checking orthonormality for ik = 23 is = 1
3472 Checking orthonormality for ik = 24 is = 1
3473 Checking orthonormality for ik = 25 is = 1
3474 Checking orthonormality for ik = 26 is = 1
3475 Checking orthonormality for ik = 27 is = 1
3476 Checking orthonormality for ik = 28 is = 1
3477 Checking orthonormality for ik = 29 is = 1
3478 Checking orthonormality for ik = 30 is = 1
3479 Checking orthonormality for ik = 31 is = 1
3480 Checking orthonormality for ik = 32 is = 1
3481 Checking orthonormality for ik = 33 is = 1
3482 Checking orthonormality for ik = 34 is = 1
3483 Checking orthonormality for ik = 35 is = 1
3484 Checking orthonormality for ik = 36 is = 1
3485 Checking orthonormality for ik = 37 is = 1
3486 Checking orthonormality for ik = 38 is = 1
3487 Checking orthonormality for ik = 39 is = 1
3488 Checking orthonormality for ik = 40 is = 1
3489 Checking orthonormality for ik = 41 is = 1
3490 Checking orthonormality for ik = 42 is = 1
3491 Checking orthonormality for ik = 43 is = 1
3492 Checking orthonormality for ik = 44 is = 1
3493 Checking orthonormality for ik = 45 is = 1
3494 Checking orthonormality for ik = 46 is = 1
3495 Checking orthonormality for ik = 47 is = 1
3496 Checking orthonormality for ik = 48 is = 1
3497 Checking orthonormality for ik = 49 is = 1
3498 Checking orthonormality for ik = 50 is = 1
3499 Checking orthonormality for ik = 51 is = 1
3500 Checking orthonormality for ik = 52 is = 1
3501 Checking orthonormality for ik = 53 is = 1
3502 Checking orthonormality for ik = 54 is = 1
3503 Checking orthonormality for ik = 55 is = 1
3504 Checking orthonormality for ik = 56 is = 1
3505 Checking orthonormality for ik = 57 is = 1
3506 Checking orthonormality for ik = 58 is = 1
3507 Checking orthonormality for ik = 59 is = 1
3508 Checking orthonormality for ik = 60 is = 1
3509 Checking orthonormality for ik = 61 is = 1
3510 Checking orthonormality for ik = 62 is = 1
3511 Checking orthonormality for ik = 63 is = 1
3512 Checking orthonormality for ik = 64 is = 1
3513 Checking orthonormality for ik = 65 is = 1
3514 Checking orthonormality for ik = 66 is = 1
3515 Checking orthonormality for ik = 67 is = 1
3516 Checking orthonormality for ik = 68 is = 1
3517 Checking orthonormality for ik = 69 is = 1
3518 Checking orthonormality for ik = 70 is = 1
3519 Checking orthonormality for ik = 71 is = 1
3520 Checking orthonormality for ik = 72 is = 1
3521 Checking orthonormality for ik = 73 is = 1
3522 Checking orthonormality for ik = 74 is = 1
3523 Checking orthonormality for ik = 75 is = 1
3524 Checking orthonormality for ik = 76 is = 1
3525 Checking orthonormality for ik = 77 is = 1
3526 Checking orthonormality for ik = 78 is = 1
3527 Checking orthonormality for ik = 79 is = 1
3528 Checking orthonormality for ik = 80 is = 1
3529 Checking orthonormality for ik = 81 is = 1
3530 Checking orthonormality for ik = 82 is = 1
3531 Checking orthonormality for ik = 83 is = 1
3532 Checking orthonormality for ik = 84 is = 1
3533 Checking orthonormality for ik = 85 is = 1
3534 Checking orthonormality for ik = 86 is = 1
3535 Checking orthonormality for ik = 87 is = 1
3536 Checking orthonormality for ik = 88 is = 1
3537 Checking orthonormality for ik = 89 is = 1
3538 Checking orthonormality for ik = 90 is = 1
3539 Checking orthonormality for ik = 91 is = 1
3540 Checking orthonormality for ik = 92 is = 1
3541 Checking orthonormality for ik = 93 is = 1
3542 Checking orthonormality for ik = 94 is = 1
3543 Checking orthonormality for ik = 95 is = 1
3544 Checking orthonormality for ik = 96 is = 1
3545 Checking orthonormality for ik = 97 is = 1
3546 Checking orthonormality for ik = 98 is = 1
3547 Checking orthonormality for ik = 99 is = 1
3548 Checking orthonormality for ik = 100 is = 1
3549 Checking orthonormality for ik = 101 is = 1
3550 Checking orthonormality for ik = 102 is = 1
3551 Checking orthonormality for ik = 103 is = 1
3552 Checking orthonormality for ik = 104 is = 1
3553 Checking orthonormality for ik = 105 is = 1
3554 Checking orthonormality for ik = 106 is = 1
3555 Checking orthonormality for ik = 107 is = 1
3556 Checking orthonormality for ik = 108 is = 1
3557 Checking orthonormality for ik = 109 is = 1
3558 Checking orthonormality for ik = 110 is = 1
3559 Checking orthonormality for ik = 111 is = 1
3560 Checking orthonormality for ik = 112 is = 1
3561 Checking orthonormality for ik = 113 is = 1
3562 Checking orthonormality for ik = 114 is = 1
3563 Checking orthonormality for ik = 115 is = 1
3564 Checking orthonormality for ik = 116 is = 1
3565 Checking orthonormality for ik = 117 is = 1
3566 Checking orthonormality for ik = 118 is = 1
3567 Checking orthonormality for ik = 119 is = 1
3568 Checking orthonormality for ik = 120 is = 1