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Time to initialize BPSDP 1e-05 seconds
CASCI E = -14.4036551080677 E(CI) = -14.4036551080677 S^2 = 0.0000000
Nuclear Rep 8e-200
Time to prep Hamiltonian 0.0 seconds
D
Q
G
Printing System Info
Matrix Rank NumVar numConst
D2aa (10, 100, 26)
D2ab (25, 625, 52)
D2bb (10, 100, 126)
D1a (5, 25, 0)
D1b (5, 25, 25)
Q1a (5, 25, 25)
Q1b (5, 25, 25)
Q2aa (10, 100, 100)
Q2ab (25, 625, 625)
Q2bb (10, 100, 100)
G2big (50, 2500, 2500)
G2ab (25, 625, 626)
G2ba (25, 625, 626)
Total Variables = 5500
Total Constraints = 4856
Time to make Constraints 0.00044 seconds
Time to make SDP is 0.050139427185058594 seconds
Time to make SDP 0.05017 seconds
Time for A dot AT 0.765168 seconds
Time for Computing Preconditioner 15.309978 seconds
Iteration 1
Primal Energy = 0.0
Dual Energy = -103.781778575
Duality Gap = 0.0
Primal Error = 8.796998068
Dual Error = 8.677060251
Iteration 2
Primal Energy = 0.0
Dual Energy = -49.174237658
Duality Gap = -0.0
Primal Error = 9.026242826
Dual Error = 0.919803289
Iteration 3
Primal Energy = 0.0
Dual Energy = -33.182106701
Duality Gap = -0.0
Primal Error = 7.982259976
Dual Error = 1.456901458
Iteration 4
Primal Energy = 0.0
Dual Energy = -20.166145591
Duality Gap = 0.0
Primal Error = 6.977016751
Dual Error = 1.547655298
Iteration 5
Primal Energy = 0.0
Dual Energy = -12.074565199
Duality Gap = -0.0
Primal Error = 7.700812953
Dual Error = 2.199620462
Iteration 6
Primal Energy = -4.287027538
Dual Energy = -13.164410879
Duality Gap = 0.0
Primal Error = 4.122476492
Dual Error = 1.4461571
Iteration 7
Primal Energy = -6.995216573
Dual Energy = -10.124715644
Duality Gap = -0.0
Primal Error = 3.73688969
Dual Error = 1.348874305
Iteration 8
Primal Energy = -6.744189118
Dual Energy = -14.871688453
Duality Gap = 0.0
Primal Error = 3.541534719
Dual Error = 0.780449608
Iteration 9
Primal Energy = -16.575976357
Dual Energy = -12.809489363
Duality Gap = 0.0
Primal Error = 1.754099602
Dual Error = 0.81558465
Iteration 10
Primal Energy = -13.38174086
Dual Energy = -14.838058901
Duality Gap = -0.0
Primal Error = 1.482151293
Dual Error = 0.441663028
Iteration 11
Primal Energy = -14.837716744
Dual Energy = -14.654268368
Duality Gap = 0.0
Primal Error = 1.505797141
Dual Error = 0.294191468
Iteration 12
Primal Energy = -13.473519664
Dual Energy = -15.037484171
Duality Gap = -0.0
Primal Error = 0.518113628
Dual Error = 0.298447454
Iteration 13
Primal Energy = -13.855975767
Dual Energy = -14.388863581
Duality Gap = -0.0
Primal Error = 0.405894551
Dual Error = 0.197808394
Iteration 14
Primal Energy = -13.603246635
Dual Energy = -14.058027199
Duality Gap = -0.0
Primal Error = 0.259113444
Dual Error = 0.141907061
Iteration 15
Primal Energy = -14.130197202
Dual Energy = -13.724709261
Duality Gap = 0.0
Primal Error = 0.119563488
Dual Error = 0.138301826
Iteration 16
Primal Energy = -14.21600903
Dual Energy = -13.795295687
Duality Gap = 0.0
Primal Error = 0.161549626
Dual Error = 0.126579714
Iteration 17
Primal Energy = -14.429829538
Dual Energy = -13.909508524
Duality Gap = 0.0
Primal Error = 0.214046707
Dual Error = 0.098022984
Iteration 18
Primal Energy = -14.383427607
Dual Energy = -14.114151204
Duality Gap = -0.0
Primal Error = 0.208329023
Dual Error = 0.082295614
Iteration 19
Primal Energy = -14.3569631
Dual Energy = -14.225267228
Duality Gap = 0.0
Primal Error = 0.189663338
Dual Error = 0.083142503
Iteration 20
Primal Energy = -14.24183621
Dual Energy = -14.295073876
Duality Gap = -0.0
Primal Error = 0.159425159
Dual Error = 0.076993814
Iteration 21
Primal Energy = -14.161959917
Dual Energy = -14.265307085
Duality Gap = -0.0
Primal Error = 0.079803177
Dual Error = 0.07504001
Iteration 22
Primal Energy = -14.133830045
Dual Energy = -14.176131954
Duality Gap = -0.0
Primal Error = 0.047861722
Dual Error = 0.072222646
Iteration 23
Primal Energy = -14.171833662
Dual Energy = -14.092574947
Duality Gap = 0.0
Primal Error = 0.069009949
Dual Error = 0.069039519
Iteration 24
Primal Energy = -14.227944333
Dual Energy = -14.063429678
Duality Gap = 0.0
Primal Error = 0.083629336
Dual Error = 0.06624822
Iteration 25
Primal Energy = -14.272411528
Dual Energy = -14.085853841
Duality Gap = -0.0
Primal Error = 0.089748979
Dual Error = 0.062377071
Iteration 26
Primal Energy = -14.285746035
Dual Energy = -14.13047511
Duality Gap = 0.0
Primal Error = 0.080650986
Dual Error = 0.060688715
Iteration 27
Primal Energy = -14.277558739
Dual Energy = -14.164184803
Duality Gap = -0.0
Primal Error = 0.058734959
Dual Error = 0.062166037
Iteration 28
Primal Energy = -14.263676317
Dual Energy = -14.172839018
Duality Gap = 0.0
Primal Error = 0.028697755
Dual Error = 0.063714946
Iteration 29
Primal Energy = -14.258853511
Dual Energy = -14.160721159
Duality Gap = -0.0
Primal Error = 0.009612202
Dual Error = 0.063647425
Iteration 30
Primal Energy = -14.266625262
Dual Energy = -14.141883157
Duality Gap = -0.0
Primal Error = 0.034149052
Dual Error = 0.062460251
Iteration 31
Primal Energy = -14.28300129
Dual Energy = -14.128505942
Duality Gap = -0.0
Primal Error = 0.052850714
Dual Error = 0.061127075
Iteration 32
Primal Energy = -14.30029163
Dual Energy = -14.125796698
Duality Gap = 0.0
Primal Error = 0.059580772
Dual Error = 0.060307849
Iteration 33
Primal Energy = -14.312680566
Dual Energy = -14.131950419
Duality Gap = 0.0
Primal Error = 0.05385019
Dual Error = 0.060223898
Iteration 34
Primal Energy = -14.318015385
Dual Energy = -14.141657028
Duality Gap = 0.0
Primal Error = 0.038338367
Dual Error = 0.060638682
Iteration 35
Primal Energy = -14.317877044
Dual Energy = -14.149639469
Duality Gap = -0.0
Primal Error = 0.017911112
Dual Error = 0.061030541
Iteration 36
Primal Energy = -14.315701173
Dual Energy = -14.152992242
Duality Gap = -0.0
Primal Error = 0.008445782
Dual Error = 0.060994176
Iteration 37
Primal Energy = -14.314904289
Dual Energy = -14.151652881
Duality Gap = -0.0
Primal Error = 0.023574173
Dual Error = 0.060529943
Iteration 38
Primal Energy = -14.317457544
Dual Energy = -14.147564006
Duality Gap = 0.0
Primal Error = 0.033920014
Dual Error = 0.059961425
Iteration 39
Primal Energy = -14.323551678
Dual Energy = -14.143225452
Duality Gap = -0.0
Primal Error = 0.036576564
Dual Error = 0.059615818
Iteration 40
Primal Energy = -14.338737793
Dual Energy = -14.140469828
Duality Gap = -0.0
Primal Error = 0.027243453
Dual Error = 0.057478676
Iteration 41
Primal Energy = -14.353257935
Dual Energy = -14.166959487
Duality Gap = 0.0
Primal Error = 0.046815504
Dual Error = 0.05186991
Iteration 42
Primal Energy = -14.351262467
Dual Energy = -14.233000722
Duality Gap = 0.0
Primal Error = 0.056587029
Dual Error = 0.045398615
Iteration 43
Primal Energy = -14.340552661
Dual Energy = -14.281568254
Duality Gap = -0.0
Primal Error = 0.052664296
Dual Error = 0.042502163
Iteration 44
Primal Energy = -14.335353049
Dual Energy = -14.293519615
Duality Gap = -0.0
Primal Error = 0.042455685
Dual Error = 0.041840269
Iteration 45
Primal Energy = -14.340809189
Dual Energy = -14.283951425
Duality Gap = 0.0
Primal Error = 0.025690398
Dual Error = 0.041821486
Iteration 46
Primal Energy = -14.352094794
Dual Energy = -14.271278088
Duality Gap = 0.0
Primal Error = 0.010704537
Dual Error = 0.041078322
Iteration 47
Primal Energy = -14.362119034
Dual Energy = -14.265119591
Duality Gap = 0.0
Primal Error = 0.018448909
Dual Error = 0.03894188
Iteration 48
Primal Energy = -14.36684146
Dual Energy = -14.264996419
Duality Gap = 0.0
Primal Error = 0.025238004
Dual Error = 0.036759094
Iteration 49
Primal Energy = -14.366527824
Dual Energy = -14.265854572
Duality Gap = -0.0
Primal Error = 0.022966132
Dual Error = 0.035866073
Iteration 50
Primal Energy = -14.364181439
Dual Energy = -14.264399429
Duality Gap = 0.0
Primal Error = 0.014542635
Dual Error = 0.035839491
Iteration 51
Primal Energy = -14.362828147
Dual Energy = -14.261540048
Duality Gap = 0.0
Primal Error = 0.006856375
Dual Error = 0.035626594
Iteration 52
Primal Energy = -14.363709727
Dual Energy = -14.260568555
Duality Gap = 0.0
Primal Error = 0.010470127
Dual Error = 0.034889621
Iteration 53
Primal Energy = -14.366264189
Dual Energy = -14.263864764
Duality Gap = -0.0
Primal Error = 0.015647284
Dual Error = 0.033915281
Iteration 54
Primal Energy = -14.369235812
Dual Energy = -14.271098321
Duality Gap = -0.0
Primal Error = 0.017343327
Dual Error = 0.033059619
Iteration 55
Primal Energy = -14.371738719
Dual Energy = -14.279788384
Duality Gap = 0.0
Primal Error = 0.015790345
Dual Error = 0.032426139
Iteration 56
Primal Energy = -14.373612123
Dual Energy = -14.287128657
Duality Gap = 0.0
Primal Error = 0.012437584
Dual Error = 0.031874439
Iteration 57
Primal Energy = -14.375154432
Dual Energy = -14.291513806
Duality Gap = -0.0
Primal Error = 0.009164118
Dual Error = 0.031234267
Iteration 58
Primal Energy = -14.376686032
Dual Energy = -14.292954748
Duality Gap = -0.0
Primal Error = 0.007491074
Dual Error = 0.030475186
Iteration 59
Primal Energy = -14.378303951
Dual Energy = -14.292544772
Duality Gap = 0.0
Primal Error = 0.00722591
Dual Error = 0.029692848
Iteration 60
Primal Energy = -14.379905932
Dual Energy = -14.291624012
Duality Gap = -0.0
Primal Error = 0.007059956
Dual Error = 0.028989951
Iteration 61
Primal Energy = -14.381350183
Dual Energy = -14.291189593
Duality Gap = 0.0
Primal Error = 0.006544137
Dual Error = 0.02839237
Iteration 62
Primal Energy = -14.382583628
Dual Energy = -14.291723313
Duality Gap = -0.0
Primal Error = 0.006197164
Dual Error = 0.027854992
Iteration 63
Primal Energy = -14.383662232
Dual Energy = -14.293304838
Duality Gap = -0.0
Primal Error = 0.006651565
Dual Error = 0.027317493
Iteration 64
Primal Energy = -14.384689427
Dual Energy = -14.295795517
Duality Gap = 0.0
Primal Error = 0.007719684
Dual Error = 0.026748803
Iteration 65
Primal Energy = -14.385742176
Dual Energy = -14.298961717
Duality Gap = -0.0
Primal Error = 0.008734953
Dual Error = 0.026153221
Iteration 66
Primal Energy = -14.386835592
Dual Energy = -14.302524315
Duality Gap = -0.0
Primal Error = 0.009261439
Dual Error = 0.025549659
Iteration 67
Primal Energy = -14.387934247
Dual Energy = -14.306181772
Duality Gap = 0.0
Primal Error = 0.009202433
Dual Error = 0.024950067
Iteration 68
Primal Energy = -14.388987488
Dual Energy = -14.30964687
Duality Gap = 0.0
Primal Error = 0.008689363
Dual Error = 0.024353398
Iteration 69
Primal Energy = -14.389960835
Dual Energy = -14.312700034
Duality Gap = -0.0
Primal Error = 0.007955928
Dual Error = 0.023753278
Iteration 70
Primal Energy = -14.390848213
Dual Energy = -14.315235456
Duality Gap = 0.0
Primal Error = 0.007227779
Dual Error = 0.023147789
Iteration 71
Primal Energy = -14.391665846
Dual Energy = -14.317275765
Duality Gap = -0.0
Primal Error = 0.006646184
Dual Error = 0.022542691
Iteration 72
Primal Energy = -14.392437736
Dual Energy = -14.318948549
Duality Gap = -0.0
Primal Error = 0.006252177
Dual Error = 0.021947614
Iteration 73
Primal Energy = -14.393182915
Dual Energy = -14.320436907
Duality Gap = 0.0
Primal Error = 0.006031044
Dual Error = 0.021369975
Iteration 74
Primal Energy = -14.393909612
Dual Energy = -14.321924805
Duality Gap = -0.0
Primal Error = 0.005964136
Dual Error = 0.020811415
Iteration 75
Primal Energy = -14.394616116
Dual Energy = -14.323554893
Duality Gap = -0.0
Primal Error = 0.006037779
Dual Error = 0.020268323
Iteration 76
Primal Energy = -14.395295206
Dual Energy = -14.325407012
Duality Gap = -0.0
Primal Error = 0.006220228
Dual Error = 0.01973493
Iteration 77
Primal Energy = -14.395938863
Dual Energy = -14.327496524
Duality Gap = 0.0
Primal Error = 0.006450351
Dual Error = 0.019206386
Iteration 78
Primal Energy = -14.396541358
Dual Energy = -14.329786482
Duality Gap = 0.0
Primal Error = 0.006654606
Dual Error = 0.018680188
Iteration 79
Primal Energy = -14.397100362
Dual Energy = -14.332206585
Duality Gap = 0.0
Primal Error = 0.006773515
Dual Error = 0.018155906
Iteration 80
Primal Energy = -14.397616607
Dual Energy = -14.334673196
Duality Gap = 0.0
Primal Error = 0.006777709
Dual Error = 0.01763415
Iteration 81
Primal Energy = -14.398092923
Dual Energy = -14.337106682
Duality Gap = 0.0
Primal Error = 0.006669375
Dual Error = 0.017115736
Iteration 82
Primal Energy = -14.398533244
Dual Energy = -14.339443994
Duality Gap = -0.0
Primal Error = 0.006474033
Dual Error = 0.016601452
Iteration 83
Primal Energy = -14.398941887
Dual Energy = -14.341645683
Duality Gap = 0.0
Primal Error = 0.006228603
Dual Error = 0.016092255
Iteration 84
Primal Energy = -14.399323117
Dual Energy = -14.343697514
Duality Gap = -0.0
Primal Error = 0.005970274
Dual Error = 0.015589488
Iteration 85
Primal Energy = -14.399680873
Dual Energy = -14.345607618
Duality Gap = -0.0
Primal Error = 0.005728851
Dual Error = 0.015094814
Iteration 86
Primal Energy = -14.400018539
Dual Energy = -14.347400592
Duality Gap = 0.0
Primal Error = 0.005523488
Dual Error = 0.014609891
Iteration 87
Primal Energy = -14.40033871
Dual Energy = -14.349110163
Duality Gap = 0.0
Primal Error = 0.00536296
Dual Error = 0.014135957
Iteration 88
Primal Energy = -14.400642981
Dual Energy = -14.350771875
Duality Gap = 0.0
Primal Error = 0.005247654
Dual Error = 0.013673566
Iteration 89
Primal Energy = -14.400931863
Dual Energy = -14.352416934
Duality Gap = 0.0
Primal Error = 0.005171678
Dual Error = 0.013222566
Iteration 90
Primal Energy = -14.401204912
Dual Energy = -14.35406792
Duality Gap = -0.0
Primal Error = 0.005124593
Dual Error = 0.012782312
Iteration 91
Primal Energy = -14.401461048
Dual Energy = -14.355736665
Duality Gap = -0.0
Primal Error = 0.005093137
Dual Error = 0.012351958
Iteration 92
Primal Energy = -14.401699027
Dual Energy = -14.357424221
Duality Gap = 0.0
Primal Error = 0.005063345
Dual Error = 0.011930725
Iteration 93
Primal Energy = -14.401917895
Dual Energy = -14.359122545
Duality Gap = -0.0
Primal Error = 0.00502286
Dual Error = 0.011518053
Iteration 94
Primal Energy = -14.402117326
Dual Energy = -14.360817322
Duality Gap = -0.0
Primal Error = 0.004962885
Dual Error = 0.011113643
Iteration 95
Primal Energy = -14.402297769
Dual Energy = -14.362491265
Duality Gap = -0.0
Primal Error = 0.004879234
Dual Error = 0.010717427
Iteration 96
Primal Energy = -14.402460388
Dual Energy = -14.364127256
Duality Gap = 0.0
Primal Error = 0.004772326
Dual Error = 0.010329511
Iteration 97
Primal Energy = -14.40260688
Dual Energy = -14.365710871
Duality Gap = -0.0
Primal Error = 0.004646289
Dual Error = 0.009950125
Iteration 98
Primal Energy = -14.402739214
Dual Energy = -14.367232009
Duality Gap = -0.0
Primal Error = 0.004507553
Dual Error = 0.009579586
Iteration 99
Primal Energy = -14.402859402
Dual Energy = -14.368685564
Duality Gap = 0.0
Primal Error = 0.004363334
Dual Error = 0.009218265
Iteration 100
Primal Energy = -14.402969297
Dual Energy = -14.370071251
Duality Gap = -0.0
Primal Error = 0.004220342
Dual Error = 0.008866541
Iteration 101
Primal Energy = -14.403070471
Dual Energy = -14.371392797
Duality Gap = -0.0
Primal Error = 0.004083884
Dual Error = 0.00852475
Iteration 102
Primal Energy = -14.403164149
Dual Energy = -14.372656727
Duality Gap = -0.0
Primal Error = 0.003957426
Dual Error = 0.008193137
Iteration 103
Primal Energy = -14.403251183
Dual Energy = -14.373871007
Duality Gap = 0.0
Primal Error = 0.003842541
Dual Error = 0.007871814
Iteration 104
Primal Energy = -14.403332083
Dual Energy = -14.375043745
Duality Gap = 0.0
Primal Error = 0.003739118
Dual Error = 0.007560749
Iteration 105
Primal Energy = -14.403407068
Dual Energy = -14.376182109
Duality Gap = 0.0
Primal Error = 0.003645726
Dual Error = 0.007259775
Iteration 106
Primal Energy = -14.403476156
Dual Energy = -14.377291564
Duality Gap = -0.0
Primal Error = 0.00356005
Dual Error = 0.006968628
Iteration 107
Primal Energy = -14.403539253
Dual Energy = -14.378375485
Duality Gap = -0.0
Primal Error = 0.003479339
Dual Error = 0.00668699
Iteration 108
Primal Energy = -14.40359626
Dual Energy = -14.379435117
Duality Gap = 0.0
Primal Error = 0.003400836
Dual Error = 0.006414531
Iteration 109
Primal Energy = -14.403647146
Dual Energy = -14.380469839
Duality Gap = -0.0
Primal Error = 0.003322157
Dual Error = 0.006150944
Iteration 110
Primal Energy = -14.403692013
Dual Energy = -14.381477645
Duality Gap = -0.0
Primal Error = 0.003241561
Dual Error = 0.005895961
Iteration 111
Primal Energy = -14.403731114
Dual Energy = -14.382455731
Duality Gap = -0.0
Primal Error = 0.003158109
Dual Error = 0.005649362
Iteration 112
Primal Energy = -14.403764853
Dual Energy = -14.383401091
Duality Gap = -0.0
Primal Error = 0.003071668
Dual Error = 0.005410975
Iteration 113
Primal Energy = -14.403793752
Dual Energy = -14.384311048
Duality Gap = -0.0
Primal Error = 0.002982806
Dual Error = 0.005180664
Iteration 114
Primal Energy = -14.403818406
Dual Energy = -14.385183653
Duality Gap = -0.0
Primal Error = 0.002892596
Dual Error = 0.004958324
Iteration 115
Primal Energy = -14.403839437
Dual Energy = -14.386017921
Duality Gap = -0.0
Primal Error = 0.002802373
Dual Error = 0.004743866
Iteration 116
Primal Energy = -14.403857445
Dual Energy = -14.38681391
Duality Gap = 0.0
Primal Error = 0.002713508
Dual Error = 0.004537206
Iteration 117
Primal Energy = -14.40387297
Dual Energy = -14.387572653
Duality Gap = -0.0
Primal Error = 0.002627207
Dual Error = 0.004338253
Iteration 118
Primal Energy = -14.403886462
Dual Energy = -14.388295979
Duality Gap = -0.0
Primal Error = 0.002544385
Dual Error = 0.004146901
Iteration 119
Primal Energy = -14.403898271
Dual Energy = -14.388986263
Duality Gap = 0.0
Primal Error = 0.002465599
Dual Error = 0.003963015
Iteration 120
Primal Energy = -14.403908642
Dual Energy = -14.389646148
Duality Gap = -0.0
Primal Error = 0.002391046
Dual Error = 0.00378643
Iteration 121
Primal Energy = -14.403917725
Dual Energy = -14.390278278
Duality Gap = -0.0
Primal Error = 0.002320605
Dual Error = 0.003616951
Iteration 122