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Charge equilibration on step 0
iteration: 0, enegtot 1.408, enegmax 0.441856, fq deviation: 0.0226842
iteration: 1, enegtot 1.40996, enegmax 0.321776, fq deviation: 0.0106135
iteration: 2, enegtot 1.41084, enegmax 0.258091, fq deviation: 0.00779453
iteration: 3, enegtot 1.41142, enegmax 0.218979, fq deviation: 0.00632476
iteration: 4, enegtot 1.41184, enegmax 0.196359, fq deviation: 0.00526479
iteration: 5, enegtot 1.41216, enegmax 0.177102, fq deviation: 0.00444324
iteration: 6, enegtot 1.41242, enegmax 0.160244, fq deviation: 0.00378345
iteration: 7, enegtot 1.41263, enegmax 0.145259, fq deviation: 0.00324212
iteration: 8, enegtot 1.41281, enegmax 0.131822, fq deviation: 0.00279203
iteration: 9, enegtot 1.41295, enegmax 0.119711, fq deviation: 0.00241421
iteration: 10, enegtot 1.41308, enegmax 0.108762, fq deviation: 0.00209492
iteration: 11, enegtot 1.41319, enegmax 0.0988437, fq deviation: 0.00182388
iteration: 12, enegtot 1.41328, enegmax 0.0898486, fq deviation: 0.00159251
iteration: 13, enegtot 1.41336, enegmax 0.0816843, fq deviation: 0.00139404
iteration: 14, enegtot 1.41343, enegmax 0.0742705, fq deviation: 0.00122266
iteration: 15, enegtot 1.41349, enegmax 0.0675358, fq deviation: 0.00107391
iteration: 16, enegtot 1.41355, enegmax 0.0614168, fq deviation: 0.000944413
iteration: 17, enegtot 1.41359, enegmax 0.0558563, fq deviation: 0.000831457
iteration: 18, enegtot 1.41363, enegmax 0.0508028, fq deviation: 0.000732752
iteration: 19, enegtot 1.41367, enegmax 0.0462098, fq deviation: 0.000646395
iteration: 20, enegtot 1.4137, enegmax 0.0420349, fq deviation: 0.000570789
iteration: 21, enegtot 1.41372, enegmax 0.0382399, fq deviation: 0.000504515
iteration: 22, enegtot 1.41375, enegmax 0.0347901, fq deviation: 0.000446451
iteration: 23, enegtot 1.41377, enegmax 0.0316539, fq deviation: 0.000395533
iteration: 24, enegtot 1.41379, enegmax 0.0288026, fq deviation: 0.000350783
iteration: 25, enegtot 1.4138, enegmax 0.0262102, fq deviation: 0.000311388
iteration: 26, enegtot 1.41381, enegmax 0.023853, fq deviation: 0.000276637
iteration: 27, enegtot 1.41383, enegmax 0.0217096, fq deviation: 0.000245938
iteration: 28, enegtot 1.41384, enegmax 0.0197604, fq deviation: 0.000218783
iteration: 29, enegtot 1.41385, enegmax 0.0179878, fq deviation: 0.000194718
iteration: 30, enegtot 1.41385, enegmax 0.0163755, fq deviation: 0.000173373
iteration: 31, enegtot 1.41386, enegmax 0.0149089, fq deviation: 0.000154442
iteration: 32, enegtot 1.41387, enegmax 0.0135749, fq deviation: 0.000137651
iteration: 33, enegtot 1.41387, enegmax 0.0123612, fq deviation: 0.000122747
iteration: 34, enegtot 1.41388, enegmax 0.011257, fq deviation: 0.000109507
iteration: 35, enegtot 1.41388, enegmax 0.0102522, fq deviation: 9.77384e-05
Charges converged in 36 iterations to 0.0000872737 tolerance
Charge equilibration on step 10
iteration: 0, enegtot 1.41191, enegmax 0.28617, fq deviation: 0.0531427
iteration: 1, enegtot 1.41188, enegmax 0.182511, fq deviation: 0.0326721
iteration: 2, enegtot 1.41187, enegmax 0.137107, fq deviation: 0.0229567
iteration: 3, enegtot 1.41186, enegmax 0.108884, fq deviation: 0.0170711
iteration: 4, enegtot 1.41185, enegmax 0.0889612, fq deviation: 0.0131595
iteration: 5, enegtot 1.41185, enegmax 0.0741458, fq deviation: 0.0104037
iteration: 6, enegtot 1.41186, enegmax 0.0627068, fq deviation: 0.00837873
iteration: 7, enegtot 1.41186, enegmax 0.0536176, fq deviation: 0.00684546
iteration: 8, enegtot 1.41187, enegmax 0.0462331, fq deviation: 0.00565704
iteration: 9, enegtot 1.41187, enegmax 0.0401284, fq deviation: 0.00471879
iteration: 10, enegtot 1.41188, enegmax 0.0350127, fq deviation: 0.00396548
iteration: 11, enegtot 1.41189, enegmax 0.0306793, fq deviation: 0.00335295
iteration: 12, enegtot 1.41189, enegmax 0.0269766, fq deviation: 0.00284891
iteration: 13, enegtot 1.4119, enegmax 0.0240589, fq deviation: 0.00243079
iteration: 14, enegtot 1.4119, enegmax 0.0217021, fq deviation: 0.00208164
iteration: 15, enegtot 1.41191, enegmax 0.0195985, fq deviation: 0.00178817
iteration: 16, enegtot 1.41191, enegmax 0.0179448, fq deviation: 0.00154011
iteration: 17, enegtot 1.41191, enegmax 0.0165046, fq deviation: 0.00132951
iteration: 18, enegtot 1.41192, enegmax 0.0151847, fq deviation: 0.00114994
iteration: 19, enegtot 1.41192, enegmax 0.0139737, fq deviation: 0.000996468
iteration: 20, enegtot 1.41192, enegmax 0.0128618, fq deviation: 0.000864901
iteration: 21, enegtot 1.41193, enegmax 0.0118402, fq deviation: 0.000751811
iteration: 22, enegtot 1.41193, enegmax 0.0109011, fq deviation: 0.000654421
iteration: 23, enegtot 1.41193, enegmax 0.0100375, fq deviation: 0.00057038
Charges converged in 24 iterations to 0.0004977137 tolerance
Charge equilibration on step 20
iteration: 0, enegtot 1.41542, enegmax 0.246232, fq deviation: 0.0457868
iteration: 1, enegtot 1.41534, enegmax 0.165704, fq deviation: 0.0282212
iteration: 2, enegtot 1.41529, enegmax 0.120138, fq deviation: 0.0199784
iteration: 3, enegtot 1.41526, enegmax 0.0979546, fq deviation: 0.0149906
iteration: 4, enegtot 1.41524, enegmax 0.0823453, fq deviation: 0.0116649
iteration: 5, enegtot 1.41522, enegmax 0.0701311, fq deviation: 0.00931093
iteration: 6, enegtot 1.41522, enegmax 0.0603264, fq deviation: 0.00756852
iteration: 7, enegtot 1.41521, enegmax 0.0522902, fq deviation: 0.00623975
iteration: 8, enegtot 1.41521, enegmax 0.0455963, fq deviation: 0.00520041
iteration: 9, enegtot 1.41521, enegmax 0.0399505, fq deviation: 0.00437115
iteration: 10, enegtot 1.4152, enegmax 0.0351414, fq deviation: 0.00369843
iteration: 11, enegtot 1.41521, enegmax 0.0310124, fq deviation: 0.00314601
iteration: 12, enegtot 1.41521, enegmax 0.0277884, fq deviation: 0.00268779
iteration: 13, enegtot 1.41521, enegmax 0.0255938, fq deviation: 0.00230424
iteration: 14, enegtot 1.41521, enegmax 0.0235864, fq deviation: 0.00198118
iteration: 15, enegtot 1.41521, enegmax 0.0217464, fq deviation: 0.00170746
iteration: 16, enegtot 1.41521, enegmax 0.0200571, fq deviation: 0.00147477
iteration: 17, enegtot 1.41521, enegmax 0.0185041, fq deviation: 0.00127627
iteration: 18, enegtot 1.41521, enegmax 0.0170749, fq deviation: 0.00110634
iteration: 19, enegtot 1.41521, enegmax 0.0157588, fq deviation: 0.000960494
iteration: 20, enegtot 1.41521, enegmax 0.0145459, fq deviation: 0.00083505
iteration: 21, enegtot 1.41522, enegmax 0.0134278, fq deviation: 0.000726962
iteration: 22, enegtot 1.41522, enegmax 0.0123965, fq deviation: 0.000633634
iteration: 23, enegtot 1.41522, enegmax 0.0114452, fq deviation: 0.000552923
iteration: 24, enegtot 1.41522, enegmax 0.0105675, fq deviation: 0.000483028
Charges converged in 25 iterations to 0.0004224127 tolerance
Charge equilibration on step 30
iteration: 0, enegtot 1.42553, enegmax 0.205524, fq deviation: 0.036043
iteration: 1, enegtot 1.42543, enegmax 0.141315, fq deviation: 0.0221964
iteration: 2, enegtot 1.42536, enegmax 0.10448, fq deviation: 0.0158433
iteration: 3, enegtot 1.42531, enegmax 0.081187, fq deviation: 0.0120097
iteration: 4, enegtot 1.42527, enegmax 0.0659543, fq deviation: 0.00944552
iteration: 5, enegtot 1.42525, enegmax 0.0574909, fq deviation: 0.00761625
iteration: 6, enegtot 1.42523, enegmax 0.0504188, fq deviation: 0.00625468
iteration: 7, enegtot 1.42521, enegmax 0.0444427, fq deviation: 0.00520642
iteration: 8, enegtot 1.4252, enegmax 0.0393369, fq deviation: 0.00437562
iteration: 9, enegtot 1.42519, enegmax 0.0349331, fq deviation: 0.00370417
iteration: 10, enegtot 1.42518, enegmax 0.0311054, fq deviation: 0.00315337
iteration: 11, enegtot 1.42517, enegmax 0.0277579, fq deviation: 0.00269542
iteration: 12, enegtot 1.42516, enegmax 0.0252226, fq deviation: 0.00231154
iteration: 13, enegtot 1.42516, enegmax 0.0233031, fq deviation: 0.00198774
iteration: 14, enegtot 1.42516, enegmax 0.0215396, fq deviation: 0.00171312
iteration: 15, enegtot 1.42515, enegmax 0.0199164, fq deviation: 0.00147918
iteration: 16, enegtot 1.42515, enegmax 0.0184204, fq deviation: 0.0012793
iteration: 17, enegtot 1.42515, enegmax 0.01704, fq deviation: 0.00110805
iteration: 18, enegtot 1.42514, enegmax 0.0157653, fq deviation: 0.00096097
iteration: 19, enegtot 1.42514, enegmax 0.0145876, fq deviation: 0.000834387
iteration: 20, enegtot 1.42514, enegmax 0.0134989, fq deviation: 0.000725301
iteration: 21, enegtot 1.42514, enegmax 0.0124922, fq deviation: 0.00063116
iteration: 22, enegtot 1.42514, enegmax 0.0115612, fq deviation: 0.000549801
iteration: 23, enegtot 1.42514, enegmax 0.0106999, fq deviation: 0.000479394
Charges converged in 24 iterations to 0.0004183880 tolerance
Charge equilibration on step 40
iteration: 0, enegtot 1.44334, enegmax 0.151745, fq deviation: 0.0257312
iteration: 1, enegtot 1.44323, enegmax 0.106909, fq deviation: 0.0159547
iteration: 2, enegtot 1.44316, enegmax 0.0809561, fq deviation: 0.0115976
iteration: 3, enegtot 1.4431, enegmax 0.0642804, fq deviation: 0.00899353
iteration: 4, enegtot 1.44305, enegmax 0.0537857, fq deviation: 0.00724987
iteration: 5, enegtot 1.44301, enegmax 0.0474868, fq deviation: 0.00598921
iteration: 6, enegtot 1.44298, enegmax 0.0420899, fq deviation: 0.00502602
iteration: 7, enegtot 1.44296, enegmax 0.0374333, fq deviation: 0.00426022
iteration: 8, enegtot 1.44293, enegmax 0.0333851, fq deviation: 0.00363437
iteration: 9, enegtot 1.44291, enegmax 0.0298427, fq deviation: 0.00311448
iteration: 10, enegtot 1.44289, enegmax 0.026726, fq deviation: 0.00267772
iteration: 11, enegtot 1.44288, enegmax 0.0239721, fq deviation: 0.00230786
iteration: 12, enegtot 1.44287, enegmax 0.0215302, fq deviation: 0.00199296
iteration: 13, enegtot 1.44285, enegmax 0.0196711, fq deviation: 0.00172392
iteration: 14, enegtot 1.44284, enegmax 0.01821, fq deviation: 0.00149333
iteration: 15, enegtot 1.44284, enegmax 0.0168628, fq deviation: 0.00129522
iteration: 16, enegtot 1.44283, enegmax 0.0156188, fq deviation: 0.00112467
iteration: 17, enegtot 1.44282, enegmax 0.0144693, fq deviation: 0.000977561
iteration: 18, enegtot 1.44281, enegmax 0.0134062, fq deviation: 0.000850508
iteration: 19, enegtot 1.44281, enegmax 0.0124225, fq deviation: 0.000740668
iteration: 20, enegtot 1.4428, enegmax 0.011512, fq deviation: 0.000645614
iteration: 21, enegtot 1.4428, enegmax 0.0106689, fq deviation: 0.000563279
Charges converged in 22 iterations to 0.0004918674 tolerance
Charge equilibration on step 50
iteration: 0, enegtot 1.46931, enegmax 0.108896, fq deviation: 0.0187993
iteration: 1, enegtot 1.46921, enegmax 0.0744476, fq deviation: 0.0126083
iteration: 2, enegtot 1.46914, enegmax 0.063464, fq deviation: 0.00982327
iteration: 3, enegtot 1.46908, enegmax 0.0544108, fq deviation: 0.00805091
iteration: 4, enegtot 1.46902, enegmax 0.0468554, fq deviation: 0.00674362
iteration: 5, enegtot 1.46898, enegmax 0.0405011, fq deviation: 0.0057152
iteration: 6, enegtot 1.46893, enegmax 0.0351258, fq deviation: 0.00488125
iteration: 7, enegtot 1.46889, enegmax 0.0305554, fq deviation: 0.00419204
iteration: 8, enegtot 1.46886, enegmax 0.0266511, fq deviation: 0.00361483
iteration: 9, enegtot 1.46883, enegmax 0.0233013, fq deviation: 0.00312698
iteration: 10, enegtot 1.4688, enegmax 0.0209295, fq deviation: 0.00271211
iteration: 11, enegtot 1.46878, enegmax 0.0189802, fq deviation: 0.00235745
iteration: 12, enegtot 1.46876, enegmax 0.0172214, fq deviation: 0.00205302
iteration: 13, enegtot 1.46874, enegmax 0.015632, fq deviation: 0.00179098
iteration: 14, enegtot 1.46872, enegmax 0.0143721, fq deviation: 0.00156475
iteration: 15, enegtot 1.46871, enegmax 0.0133173, fq deviation: 0.00136903
iteration: 16, enegtot 1.46869, enegmax 0.0123425, fq deviation: 0.00119939
iteration: 17, enegtot 1.46868, enegmax 0.011441, fq deviation: 0.00105207
iteration: 18, enegtot 1.46867, enegmax 0.0106067, fq deviation: 0.000923931
Charges converged in 19 iterations to 0.0008123615 tolerance
Charge equilibration on step 60
iteration: 0, enegtot 1.50308, enegmax 0.106383, fq deviation: 0.0209012
iteration: 1, enegtot 1.503, enegmax 0.0800895, fq deviation: 0.0148577
iteration: 2, enegtot 1.50294, enegmax 0.0681477, fq deviation: 0.0116054
iteration: 3, enegtot 1.50288, enegmax 0.0583788, fq deviation: 0.00945221
iteration: 4, enegtot 1.50282, enegmax 0.0503713, fq deviation: 0.00789185
iteration: 5, enegtot 1.50276, enegmax 0.043753, fq deviation: 0.00669216
iteration: 6, enegtot 1.50271, enegmax 0.0382268, fq deviation: 0.00573372
iteration: 7, enegtot 1.50266, enegmax 0.0335671, fq deviation: 0.00494816
iteration: 8, enegtot 1.50261, enegmax 0.0296024, fq deviation: 0.00429281
iteration: 9, enegtot 1.50257, enegmax 0.0262018, fq deviation: 0.0037399
iteration: 10, enegtot 1.50254, enegmax 0.0232643, fq deviation: 0.0032693
iteration: 11, enegtot 1.5025, enegmax 0.0207112, fq deviation: 0.00286583
iteration: 12, enegtot 1.50248, enegmax 0.0184802, fq deviation: 0.00251828
iteration: 13, enegtot 1.50245, enegmax 0.0165218, fq deviation: 0.0022176
iteration: 14, enegtot 1.50243, enegmax 0.0147958, fq deviation: 0.00195648
iteration: 15, enegtot 1.50241, enegmax 0.0132693, fq deviation: 0.00172891
iteration: 16, enegtot 1.50239, enegmax 0.0119154, fq deviation: 0.00152991
iteration: 17, enegtot 1.50237, enegmax 0.0107114, fq deviation: 0.00135553
iteration: 18, enegtot 1.50236, enegmax 0.00963831, fq deviation: 0.0012024
iteration: 19, enegtot 1.50234, enegmax 0.00868007, fq deviation: 0.00106771
Charges converged in 20 iterations to 0.0009490026 tolerance
Charge equilibration on step 70
iteration: 0, enegtot 1.54339, enegmax 0.148793, fq deviation: 0.0286308
iteration: 1, enegtot 1.54333, enegmax 0.105182, fq deviation: 0.0197122
iteration: 2, enegtot 1.54328, enegmax 0.0798268, fq deviation: 0.0148802
iteration: 3, enegtot 1.54322, enegmax 0.0658989, fq deviation: 0.0117707
iteration: 4, enegtot 1.54315, enegmax 0.0566409, fq deviation: 0.00961818
iteration: 5, enegtot 1.54309, enegmax 0.0490784, fq deviation: 0.00804155
iteration: 6, enegtot 1.54303, enegmax 0.0428341, fq deviation: 0.0068349
iteration: 7, enegtot 1.54297, enegmax 0.037618, fq deviation: 0.00587682
iteration: 8, enegtot 1.54292, enegmax 0.0332118, fq deviation: 0.00509636
iteration: 9, enegtot 1.54288, enegmax 0.0294515, fq deviation: 0.00444784
iteration: 10, enegtot 1.54283, enegmax 0.0262133, fq deviation: 0.0039005
iteration: 11, enegtot 1.54279, enegmax 0.023403, fq deviation: 0.00343291
iteration: 12, enegtot 1.54276, enegmax 0.0209476, fq deviation: 0.00303054
iteration: 13, enegtot 1.54273, enegmax 0.0187902, fq deviation: 0.00268197
iteration: 14, enegtot 1.5427, enegmax 0.0168856, fq deviation: 0.00237841
iteration: 15, enegtot 1.54268, enegmax 0.0151975, fq deviation: 0.00211266
iteration: 16, enegtot 1.54265, enegmax 0.013696, fq deviation: 0.00187918
iteration: 17, enegtot 1.54263, enegmax 0.0123568, fq deviation: 0.00167343
iteration: 18, enegtot 1.54262, enegmax 0.0111594, fq deviation: 0.00149174
iteration: 19, enegtot 1.5426, enegmax 0.0100864, fq deviation: 0.00133092
iteration: 20, enegtot 1.54259, enegmax 0.00912331, fq deviation: 0.00118833
iteration: 21, enegtot 1.54257, enegmax 0.00825744, fq deviation: 0.00106167
Charges converged in 22 iterations to 0.0009489909 tolerance
Charge equilibration on step 80
iteration: 0, enegtot 1.58838, enegmax 0.19193, fq deviation: 0.036824
iteration: 1, enegtot 1.58835, enegmax 0.134533, fq deviation: 0.0245967
iteration: 2, enegtot 1.5883, enegmax 0.100391, fq deviation: 0.0181316
iteration: 3, enegtot 1.58823, enegmax 0.076016, fq deviation: 0.0140471
iteration: 4, enegtot 1.58817, enegmax 0.0607441, fq deviation: 0.0112789
iteration: 5, enegtot 1.5881, enegmax 0.0525521, fq deviation: 0.00929606
iteration: 6, enegtot 1.58804, enegmax 0.0458531, fq deviation: 0.00781504
iteration: 7, enegtot 1.58798, enegmax 0.0403015, fq deviation: 0.00666664
iteration: 8, enegtot 1.58792, enegmax 0.0356397, fq deviation: 0.00574877
iteration: 9, enegtot 1.58787, enegmax 0.0316772, fq deviation: 0.00499953
iteration: 10, enegtot 1.58782, enegmax 0.0282726, fq deviation: 0.00437603
iteration: 11, enegtot 1.58778, enegmax 0.0253201, fq deviation: 0.00384881
iteration: 12, enegtot 1.58774, enegmax 0.0227396, fq deviation: 0.00339809
iteration: 13, enegtot 1.58771, enegmax 0.0204693, fq deviation: 0.00300902
iteration: 14, enegtot 1.58768, enegmax 0.018461, fq deviation: 0.00267086
iteration: 15, enegtot 1.58765, enegmax 0.0166764, fq deviation: 0.00237503
iteration: 16, enegtot 1.58763, enegmax 0.0150846, fq deviation: 0.00211521
iteration: 17, enegtot 1.58761, enegmax 0.0136603, fq deviation: 0.00188615
iteration: 18, enegtot 1.58759, enegmax 0.0123825, fq deviation: 0.00168359
iteration: 19, enegtot 1.58757, enegmax 0.0112335, fq deviation: 0.00150405
iteration: 20, enegtot 1.58755, enegmax 0.0101985, fq deviation: 0.00134457
iteration: 21, enegtot 1.58754, enegmax 0.0092646, fq deviation: 0.00120261
iteration: 22, enegtot 1.58753, enegmax 0.0084208, fq deviation: 0.00107617
Charges converged in 23 iterations to 0.0009633913 tolerance
Charge equilibration on step 90
iteration: 0, enegtot 1.63594, enegmax 0.222703, fq deviation: 0.0434128
iteration: 1, enegtot 1.63589, enegmax 0.145099, fq deviation: 0.0283352
iteration: 2, enegtot 1.63584, enegmax 0.106249, fq deviation: 0.0205764
iteration: 3, enegtot 1.63577, enegmax 0.0849615, fq deviation: 0.0157423
iteration: 4, enegtot 1.6357, enegmax 0.0699348, fq deviation: 0.0124924
iteration: 5, enegtot 1.63563, enegmax 0.0583494, fq deviation: 0.0101921
iteration: 6, enegtot 1.63556, enegmax 0.0511994, fq deviation: 0.00849204
iteration: 7, enegtot 1.6355, enegmax 0.0449653, fq deviation: 0.00719119
iteration: 8, enegtot 1.63544, enegmax 0.0395583, fq deviation: 0.00616313
iteration: 9, enegtot 1.63538, enegmax 0.0348739, fq deviation: 0.00533131
iteration: 10, enegtot 1.63534, enegmax 0.0308109, fq deviation: 0.00464741
iteration: 11, enegtot 1.63529, enegmax 0.0272783, fq deviation: 0.00407504
iteration: 12, enegtot 1.63525, enegmax 0.0244726, fq deviation: 0.00358863
iteration: 13, enegtot 1.63522, enegmax 0.0221391, fq deviation: 0.00317118
iteration: 14, enegtot 1.63519, enegmax 0.0200666, fq deviation: 0.00280997
iteration: 15, enegtot 1.63516, enegmax 0.0182169, fq deviation: 0.00249557
iteration: 16, enegtot 1.63513, enegmax 0.0165595, fq deviation: 0.00222027
iteration: 17, enegtot 1.63511, enegmax 0.0150693, fq deviation: 0.00197831
iteration: 18, enegtot 1.63509, enegmax 0.0137258, fq deviation: 0.00176483
iteration: 19, enegtot 1.63507, enegmax 0.0125118, fq deviation: 0.00157594
iteration: 20, enegtot 1.63505, enegmax 0.0114128, fq deviation: 0.00140836
iteration: 21, enegtot 1.63504, enegmax 0.0104162, fq deviation: 0.00125944
iteration: 22, enegtot 1.63503, enegmax 0.00951136, fq deviation: 0.00112684
iteration: 23, enegtot 1.63502, enegmax 0.00868878, fq deviation: 0.00100867
Charges converged in 24 iterations to 0.0009032546 tolerance
Charge equilibration on step 100
iteration: 0, enegtot 1.6839, enegmax 0.23981, fq deviation: 0.0473707
iteration: 1, enegtot 1.68384, enegmax 0.150532, fq deviation: 0.0303268
iteration: 2, enegtot 1.68376, enegmax 0.111569, fq deviation: 0.0217843
iteration: 3, enegtot 1.68368, enegmax 0.0880165, fq deviation: 0.0165211
iteration: 4, enegtot 1.68361, enegmax 0.0716443, fq deviation: 0.0130093
iteration: 5, enegtot 1.68353, enegmax 0.0622174, fq deviation: 0.0105361
iteration: 6, enegtot 1.68346, enegmax 0.0540743, fq deviation: 0.00871932
iteration: 7, enegtot 1.68339, enegmax 0.0470586, fq deviation: 0.00733725
iteration: 8, enegtot 1.68333, enegmax 0.0415574, fq deviation: 0.00625248
iteration: 9, enegtot 1.68328, enegmax 0.0374309, fq deviation: 0.00538166
iteration: 10, enegtot 1.68323, enegmax 0.0337945, fq deviation: 0.00466836
iteration: 11, enegtot 1.68318, enegmax 0.0305709, fq deviation: 0.00407432
iteration: 12, enegtot 1.68314, enegmax 0.0276995, fq deviation: 0.00357349
iteration: 13, enegtot 1.68311, enegmax 0.0251319, fq deviation: 0.00314636
iteration: 14, enegtot 1.68308, enegmax 0.0228287, fq deviation: 0.00277907
iteration: 15, enegtot 1.68305, enegmax 0.0207574, fq deviation: 0.00246115
iteration: 16, enegtot 1.68302, enegmax 0.0188903, fq deviation: 0.00218424
iteration: 17, enegtot 1.683, enegmax 0.0172044, fq deviation: 0.00194204
iteration: 18, enegtot 1.68298, enegmax 0.0156796, fq deviation: 0.00172927
iteration: 19, enegtot 1.68296, enegmax 0.0142985, fq deviation: 0.00154171
iteration: 20, enegtot 1.68295, enegmax 0.0130462, fq deviation: 0.00137596
iteration: 21, enegtot 1.68293, enegmax 0.0119093, fq deviation: 0.00122906
iteration: 22, enegtot 1.68292, enegmax 0.0108763, fq deviation: 0.00109866
Charges converged in 23 iterations to 0.0009826687 tolerance
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