N E dE d eps ncg rms rms(c)
DAV: 1 0.482142314404E+05 0.48214E+05 -0.18939E+06 10280 0.150E+03
DAV: 2 0.247377021375E+04 -0.45740E+05 -0.42789E+05 10752 0.483E+02
DAV: 3 -0.567066579430E+04 -0.81444E+04 -0.78356E+04 11940 0.195E+02
DAV: 4 -0.639786726343E+04 -0.72720E+03 -0.72410E+03 14624 0.585E+01
DAV: 5 -0.646496894940E+04 -0.67102E+02 -0.67066E+02 17192 0.135E+01 0.429E+02
DAV: 6 -0.135163887304E+05 -0.70514E+04 -0.21275E+04 16380 0.117E+02 0.629E+02
DAV: 7 -0.384197722231E+05 -0.24903E+05 -0.59188E+05 17738 0.273E+02 0.171E+03
DAV: 8 -0.336684762794E+05 0.47513E+04 -0.53229E+04 15400 0.178E+02 0.274E+03
DAV: 9 -0.305747847048E+05 0.30937E+04 -0.50878E+03 16280 0.448E+01 0.449E+03
DAV: 10 -0.267488339814E+05 0.38260E+04 -0.53330E+02 16064 0.217E+01 0.392E+03
DAV: 11 -0.212823915727E+05 0.54664E+04 -0.23592E+02 14160 0.184E+01 0.590E+02
DAV: 12 -0.629573936707E+04 0.14987E+05 -0.79972E+04 15888 0.809E+01 0.487E+02
DAV: 13 -0.112015959594E+05 -0.49059E+04 -0.13756E+05 16732 0.172E+02 0.551E+02
DAV: 14 -0.513578379977E+04 0.60658E+04 -0.45835E+04 16152 0.134E+02 0.256E+02
DAV: 15 -0.623490297939E+04 -0.10991E+04 -0.16599E+04 14680 0.693E+01 0.193E+02
DAV: 16 -0.593144270298E+04 0.30346E+03 -0.19377E+03 13968 0.350E+01 0.147E+02
DAV: 17 -0.578155998845E+04 0.14988E+03 -0.38377E+02 14728 0.160E+01 0.126E+02
DAV: 18 -0.572318934217E+04 0.58371E+02 -0.75182E+01 14832 0.780E+00 0.118E+02
DAV: 19 -0.571020260917E+04 0.12987E+02 -0.14038E+01 15624 0.289E+00 0.115E+02
DAV: 20 -0.566657193069E+04 0.43631E+02 -0.90993E+00 14032 0.425E+00 0.111E+02
DAV: 21 -0.560297594445E+04 0.63596E+02 -0.26024E+01 14112 0.619E+00 0.105E+02
DAV: 22 -0.550897568603E+04 0.94000E+02 -0.62448E+01 14152 0.102E+01 0.929E+01
DAV: 23 -0.545787902537E+04 0.51097E+02 -0.90845E+01 14464 0.108E+01 0.944E+01
DAV: 24 -0.544702810866E+04 0.10851E+02 -0.29733E+01 12808 0.330E+00 0.887E+01
DAV: 25 -0.544594804868E+04 0.10801E+01 -0.25718E+00 16384 0.120E+00 0.875E+01
DAV: 26 -0.544089837248E+04 0.50497E+01 -0.26019E+01 14048 0.568E+00 0.946E+01
DAV: 27 -0.540807228780E+04 0.32826E+02 -0.49641E+01 13600 0.716E+00 0.912E+01
DAV: 28 -0.538375264268E+04 0.24320E+02 -0.26861E+01 13888 0.462E+00 0.845E+01
DAV: 29 -0.537813915024E+04 0.56135E+01 -0.17584E+01 13384 0.341E+00 0.876E+01
DAV: 30 -0.537592868872E+04 0.22105E+01 -0.91041E+00 14480 0.224E+00 0.906E+01
DAV: 31 -0.537233498456E+04 0.35937E+01 -0.37477E+00 14672 0.146E+00 0.894E+01
DAV: 32 -0.536764113610E+04 0.46938E+01 -0.37537E+00 13544 0.178E+00 0.920E+01
DAV: 33 -0.536569809904E+04 0.19430E+01 -0.57794E+00 14288 0.134E+00 0.953E+01
DAV: 34 -0.536089748908E+04 0.48006E+01 -0.51654E+00 14480 0.200E+00 0.968E+01
DAV: 35 -0.535348256410E+04 0.74149E+01 -0.65482E+00 13648 0.198E+00 0.982E+01
DAV: 36 -0.535371290531E+04 -0.23034E+00 -0.77653E+00 13480 0.255E+00 0.104E+02
DAV: 37 -0.534741470021E+04 0.62982E+01 -0.44927E+00 13568 0.132E+00 0.105E+02
DAV: 38 -0.534471340582E+04 0.27013E+01 -0.14301E+00 13680 0.111E+00 0.107E+02
DAV: 39 -0.534787344035E+04 -0.31600E+01 -0.37136E+00 13960 0.136E+00 0.111E+02
DAV: 40 -0.534263454886E+04 0.52389E+01 -0.32286E+00 13776 0.940E-01 0.113E+02
DAV: 41 -0.534033196539E+04 0.23026E+01 -0.17097E+00 13720 0.142E+00 0.120E+02
DAV: 42 -0.533628678786E+04 0.40452E+01 -0.27116E+00 14016 0.129E+00 0.126E+02
DAV: 43 -0.533534006981E+04 0.94672E+00 -0.10489E+00 14064 0.897E-01 0.130E+02
DAV: 44 -0.533452910475E+04 0.81097E+00 -0.77822E-01 13448 0.591E-01 0.132E+02
DAV: 45 -0.533350957631E+04 0.10195E+01 -0.31577E-01 14064 0.504E-01 0.136E+02
DAV: 46 -0.533327434124E+04 0.23524E+00 -0.29365E-01 14016 0.456E-01 0.139E+02
DAV: 47 -0.533232448600E+04 0.94986E+00 -0.32241E-01 13816 0.609E-01 0.145E+02
DAV: 48 -0.533088032344E+04 0.14442E+01 -0.50540E-01 13712 0.697E-01 0.152E+02
DAV: 49 -0.532937395634E+04 0.15064E+01 -0.41660E-01 13720 0.744E-01 0.160E+02
DAV: 50 -0.532732061364E+04 0.20533E+01 -0.45116E-01 13576 0.590E-01 0.166E+02
DAV: 51 -0.574818135936E+04 -0.42086E+03 -0.32607E+02 14928 0.265E+01 0.187E+02
DAV: 52 -0.546607150013E+04 0.28211E+03 -0.15059E+02 13688 0.112E+01 0.115E+02
DAV: 53 -0.539234996351E+04 0.73722E+02 -0.52634E+01 14088 0.792E+00 0.882E+01
DAV: 54 -0.536890000829E+04 0.23450E+02 -0.59946E+01 14280 0.786E+00 0.725E+01
DAV: 55 -0.538766109600E+04 -0.18761E+02 -0.36780E+01 14720 0.940E+00 0.744E+01
DAV: 56 -0.548320438929E+04 -0.95543E+02 -0.30594E+02 15016 0.283E+01 0.151E+02
DAV: 57 -0.533234530344E+04 0.15086E+03 -0.22291E+02 15552 0.232E+01 0.627E+01
DAV: 58 -0.534161641280E+04 -0.92711E+01 -0.15822E+02 13480 0.121E+01 0.714E+01
DAV: 59 -0.534183521099E+04 -0.21880E+00 -0.48388E+01 12656 0.676E+00 0.662E+01
DAV: 60 -0.534856230076E+04 -0.67271E+01 -0.28686E+01 15328 0.685E+00 0.693E+01
DAV: 61 -0.531576953207E+04 0.32793E+02 -0.92859E+01 13920 0.977E+00 0.429E+01
DAV: 62 -0.531436343495E+04 0.14061E+01 -0.40495E+01 14104 0.103E+01 0.425E+01
DAV: 63 -0.530620405935E+04 0.81594E+01 -0.33091E+01 12680 0.426E+00 0.375E+01
DAV: 64 -0.530015217283E+04 0.60519E+01 -0.16475E+01 14904 0.371E+00 0.320E+01
DAV: 65 -0.529384882995E+04 0.63033E+01 -0.77344E+00 14016 0.361E+00 0.313E+01
DAV: 66 -0.528727223227E+04 0.65766E+01 -0.15756E+01 14080 0.538E+00 0.279E+01
DAV: 67 -0.528170254762E+04 0.55697E+01 -0.11021E+01 14096 0.460E+00 0.256E+01
DAV: 68 -0.527722804858E+04 0.44745E+01 -0.87637E+00 13824 0.321E+00 0.230E+01
DAV: 69 -0.527249687651E+04 0.47312E+01 -0.50705E+00 13744 0.253E+00 0.215E+01
DAV: 70 -0.527056427961E+04 0.19326E+01 -0.33006E+00 13312 0.177E+00 0.205E+01
DAV: 71 -0.526806377714E+04 0.25005E+01 -0.85213E+00 16264 0.465E+00 0.294E+01
DAV: 72 -0.526879556082E+04 -0.73178E+00 -0.29288E+00 11792 0.805E-01 0.317E+01
DAV: 73 -0.526656262882E+04 0.22329E+01 -0.79514E-01 16240 0.947E-01 0.292E+01
DAV: 74 -0.526587678182E+04 0.68585E+00 -0.26306E+00 14416 0.189E+00 0.329E+01
DAV: 75 -0.526238509256E+04 0.34917E+01 -0.29481E+00 13352 0.120E+00 0.279E+01
DAV: 76 -0.525951303034E+04 0.28721E+01 -0.86568E+00 14672 0.293E+00 0.295E+01
DAV: 77 -0.525813962896E+04 0.13734E+01 -0.56483E+00 13256 0.185E+00 0.262E+01
DAV: 78 -0.525584428356E+04 0.22953E+01 -0.26882E+00 13312 0.133E+00 0.243E+01
DAV: 79 -0.525411864654E+04 0.17256E+01 -0.16375E+00 14080 0.127E+00 0.244E+01
DAV: 80 -0.525244247520E+04 0.16762E+01 -0.12013E+00 14096 0.122E+00 0.242E+01
DAV: 81 -0.525547509452E+04 -0.30326E+01 -0.12545E+01 16304 0.608E+00 0.360E+01
DAV: 82 -0.525052931189E+04 0.49458E+01 -0.13215E+01 12888 0.280E+00 0.282E+01
DAV: 83 -0.524994221854E+04 0.58709E+00 -0.56096E+00 12880 0.191E+00 0.259E+01
DAV: 84 -0.524901642209E+04 0.92580E+00 -0.14180E+00 12744 0.943E-01 0.253E+01
DAV: 85 -0.524838437590E+04 0.63205E+00 -0.81093E-01 13688 0.102E+00 0.247E+01
DAV: 86 -0.524643317444E+04 0.19512E+01 -0.44027E+00 15944 0.350E+00 0.256E+01
DAV: 87 -0.524490956729E+04 0.15236E+01 -0.54773E+00 12528 0.202E+00 0.219E+01
DAV: 88 -0.524439578819E+04 0.51378E+00 -0.25018E+00 12768 0.149E+00 0.218E+01
DAV: 89 -0.524347100090E+04 0.92479E+00 -0.15580E+00 13488 0.933E-01 0.192E+01
DAV: 90 -0.524319698835E+04 0.27401E+00 -0.54961E-01 13536 0.702E-01 0.184E+01
DAV: 91 -0.524244068503E+04 0.75630E+00 -0.17269E+00 15240 0.169E+00 0.186E+01
DAV: 92 -0.524191118249E+04 0.52950E+00 -0.15114E+00 12728 0.102E+00 0.168E+01
DAV: 93 -0.524148282750E+04 0.42835E+00 -0.70651E-01 12920 0.861E-01 0.154E+01
DAV: 94 -0.524120758294E+04 0.27524E+00 -0.38745E-01 13520 0.593E-01 0.141E+01
DAV: 95 -0.524085658945E+04 0.35099E+00 -0.25395E-01 13840 0.519E-01 0.126E+01
DAV: 96 -0.524104888779E+04 -0.19230E+00 -0.55100E+00 16160 0.365E+00 0.143E+01
DAV: 97 -0.524078635936E+04 0.26253E+00 -0.32336E+00 13544 0.195E+00 0.125E+01
DAV: 98 -0.524013005607E+04 0.65630E+00 -0.11739E+00 12432 0.104E+00 0.105E+01
DAV: 99 -0.523981705389E+04 0.31300E+00 -0.48498E-01 13984 0.656E-01 0.941E+00
DAV: 100 -0.523958464651E+04 0.23241E+00 -0.29609E-01 13264 0.529E-01 0.854E+00
DAV: 101 -0.523944762509E+04 0.13702E+00 -0.51209E-01 13924 0.841E-01 0.782E+00
DAV: 102 -0.523930760756E+04 0.14002E+00 -0.73389E-01 14104 0.712E-01 0.757E+00
DAV: 103 -0.523905438775E+04 0.25322E+00 -0.25793E-01 13918 0.707E-01 0.599E+00
DAV: 104 -0.523893881345E+04 0.11557E+00 -0.21194E-01 13744 0.553E-01 0.495E+00
DAV: 105 -0.523888294594E+04 0.55868E-01 -0.12043E-01 13534 0.339E-01 0.428E+00
DAV: 106 -0.523886742837E+04 0.15518E-01 -0.12970E-01 14104 0.340E-01 0.417E+00
DAV: 107 -0.523883984361E+04 0.27585E-01 -0.12292E-01 13488 0.347E-01 0.368E+00
DAV: 108 -0.523881546379E+04 0.24380E-01 -0.70952E-02 13608 0.228E-01 0.319E+00
DAV: 109 -0.523881478752E+04 0.67627E-03 -0.35122E-02 13472 0.212E-01 0.305E+00
DAV: 110 -0.523880268724E+04 0.12100E-01 -0.17759E-02 13384 0.166E-01 0.276E+00
DAV: 111 -0.523880279740E+04 -0.11016E-03 -0.15950E-02 13792 0.155E-01 0.264E+00
DAV: 112 -0.523879862599E+04 0.41714E-02 -0.59555E-03 13824 0.109E-01 0.254E+00
DAV: 113 -0.523879674855E+04 0.18774E-02 -0.41270E-03 13592 0.732E-02 0.241E+00
DAV: 114 -0.523879243705E+04 0.43115E-02 -0.46409E-03 13056 0.667E-02 0.224E+00
DAV: 115 -0.523879060252E+04 0.18345E-02 -0.32881E-03 13376 0.561E-02 0.209E+00
DAV: 116 -0.523879497513E+04 -0.43726E-02 -0.90623E-02 12816 0.285E-01 0.157E+00
DAV: 117 -0.523878003172E+04 0.14943E-01 -0.31505E-02 12624 0.167E-01 0.944E-01
DAV: 118 -0.523877941233E+04 0.61939E-03 -0.15953E-02 13200 0.121E-01 0.893E-01
DAV: 119 -0.523877696991E+04 0.24424E-02 -0.73951E-03 12782 0.865E-02 0.689E-01
DAV: 120 -0.523877410828E+04 0.28616E-02 -0.67685E-03 14240 0.896E-02 0.370E-01
DAV: 121 -0.523877456098E+04 -0.45270E-03 -0.77115E-03 14340 0.104E-01 0.384E-01
DAV: 122 -0.523877338350E+04 0.11775E-02 -0.37147E-03 13504 0.777E-02 0.209E-01
DAV: 123 -0.523877326554E+04 0.11797E-03 -0.11296E-03 12640 0.434E-02 0.171E-01
DAV: 124 -0.523877322339E+04 0.42147E-04 -0.52454E-04 12512 0.284E-02 0.156E-01
DAV: 125 -0.523877312976E+04 0.93629E-04 -0.29670E-04 11496 0.190E-02 0.112E-01
DAV: 126 -0.523877313077E+04 -0.10130E-05 -0.47449E-04 11856 0.235E-02 0.106E-01
DAV: 127 -0.523877305244E+04 0.78331E-04 -0.21221E-04 11240 0.205E-02 0.573E-02
DAV: 128 -0.523877305851E+04 -0.60631E-05 -0.11491E-04 9632 0.114E-02 0.521E-02
DAV: 129 -0.523877303995E+04 0.18555E-04 -0.99055E-05 6960 0.947E-03 0.358E-02
DAV: 130 -0.523877303263E+04 0.73157E-05 -0.20896E-05 5960 0.633E-03
1 F= -.52387730E+04 E0= -.52387429E+04 d E =-.523877E+04
N E dE d eps ncg rms rms(c)
DAV: 1 -0.520974651966E+04 0.29027E+02 -0.70656E+03 10952 0.775E+01 0.746E+01
DAV: 2 -0.539337719676E+04 -0.18363E+03 -0.54252E+02 10984 0.207E+01 0.124E+02
DAV: 3 -0.540543648042E+04 -0.12059E+02 -0.21610E+02 13584 0.357E+01 0.533E+01
DAV: 4 -0.534138386406E+04 0.64053E+02 -0.24817E+02 14864 0.222E+01 0.415E+01
DAV: 5 -0.536874541649E+04 -0.27362E+02 -0.83807E+01 14320 0.124E+01 0.357E+01
DAV: 6 -0.534290777255E+04 0.25838E+02 -0.98776E+01 16128 0.141E+01 0.269E+01
DAV: 7 -0.534557605543E+04 -0.26683E+01 -0.37281E+01 14208 0.127E+01 0.244E+01
DAV: 8 -0.533374474928E+04 0.11831E+02 -0.31971E+01 15040 0.865E+00 0.210E+01
DAV: 9 -0.532226651921E+04 0.11478E+02 -0.80241E+00 14760 0.385E+00 0.191E+01
DAV: 10 -0.531218433097E+04 0.10082E+02 -0.22850E+00 15536 0.321E+00 0.183E+01
DAV: 11 -0.529382780616E+04 0.18357E+02 -0.16134E+00 15920 0.502E+00 0.172E+01
DAV: 12 -0.527455254735E+04 0.19275E+02 -0.11572E+01 16240 0.705E+00 0.219E+01
DAV: 13 -0.527270919841E+04 0.18433E+01 -0.79664E+00 11872 0.155E+00 0.198E+01
DAV: 14 -0.527275539102E+04 -0.46193E-01 -0.74532E-01 14768 0.540E-01 0.196E+01
DAV: 15 -0.527294369833E+04 -0.18831E+00 -0.63106E-02 14592 0.169E-01 0.199E+01
DAV: 16 -0.527229753071E+04 0.64617E+00 -0.14551E-02 14536 0.227E-01 0.199E+01
DAV: 17 -0.526837936185E+04 0.39182E+01 -0.10244E+00 15816 0.181E+00 0.217E+01
DAV: 18 -0.526590299051E+04 0.24764E+01 -0.54574E-01 14488 0.101E+00 0.212E+01
DAV: 19 -0.526592982740E+04 -0.26837E-01 -0.31359E-01 12288 0.329E-01 0.213E+01
DAV: 20 -0.526322097704E+04 0.27089E+01 -0.16422E+00 14696 0.956E-01 0.171E+01
DAV: 21 -0.526352670902E+04 -0.30573E+00 -0.30471E+00 15544 0.172E+00 0.230E+01
DAV: 22 -0.526264240452E+04 0.88430E+00 -0.40915E-01 12112 0.420E-01 0.216E+01
DAV: 23 -0.526141288544E+04 0.12295E+01 -0.15534E-01 14904 0.646E-01 0.202E+01
DAV: 24 -0.526057390939E+04 0.83898E+00 -0.33251E-01 13416 0.445E-01 0.183E+01
DAV: 25 -0.526059762041E+04 -0.23711E-01 -0.69715E-02 12024 0.148E-01 0.181E+01
DAV: 26 -0.526014981379E+04 0.44781E+00 -0.40570E-01 14856 0.497E-01 0.164E+01
DAV: 27 -0.526016930867E+04 -0.19495E-01 -0.13418E-01 12936 0.248E-01 0.165E+01
DAV: 28 -0.525957054140E+04 0.59877E+00 -0.14342E+00 14392 0.823E-01 0.156E+01
DAV: 29 -0.525791095223E+04 0.16596E+01 -0.15728E+00 13432 0.119E+00 0.114E+01
DAV: 30 -0.525718554758E+04 0.72540E+00 -0.12293E+00 13896 0.119E+00 0.778E+00
DAV: 31 -0.525720774722E+04 -0.22200E-01 -0.35900E-01 11864 0.403E-01 0.722E+00
DAV: 32 -0.525727206075E+04 -0.64314E-01 -0.33685E-01 15072 0.393E-01 0.767E+00
DAV: 33 -0.525704196798E+04 0.23009E+00 -0.33267E-01 13440 0.553E-01 0.637E+00
DAV: 34 -0.525700400735E+04 0.37961E-01 -0.43760E-01 14672 0.650E-01 0.592E+00
DAV: 35 -0.525682086158E+04 0.18315E+00 -0.35362E-01 13808 0.619E-01 0.453E+00
DAV: 36 -0.525680111645E+04 0.19745E-01 -0.23124E-01 13512 0.419E-01 0.449E+00
DAV: 37 -0.525675162004E+04 0.49496E-01 -0.89280E-02 13368 0.326E-01 0.392E+00
DAV: 38 -0.525674828945E+04 0.33306E-02 -0.66759E-02 13952 0.271E-01 0.358E+00
DAV: 39 -0.525675482318E+04 -0.65337E-02 -0.38187E-02 12864 0.194E-01 0.346E+00
DAV: 40 -0.525673994016E+04 0.14883E-01 -0.25544E-02 13696 0.192E-01 0.323E+00
DAV: 41 -0.525672930373E+04 0.10636E-01 -0.44356E-02 13696 0.218E-01 0.337E+00
DAV: 42 -0.525673476089E+04 -0.54572E-02 -0.28946E-02 14240 0.139E-01 0.360E+00
DAV: 43 -0.525675572109E+04 -0.20960E-01 -0.23770E-02 13240 0.168E-01 0.405E+00
DAV: 44 -0.525674216963E+04 0.13551E-01 -0.69452E-03 13512 0.922E-02 0.387E+00
DAV: 45 -0.525674248268E+04 -0.31306E-03 -0.15933E-03 11848 0.297E-02 0.384E+00
DAV: 46 -0.525673988928E+04 0.25934E-02 -0.36528E-04 13288 0.149E-02 0.378E+00
DAV: 47 -0.525672209299E+04 0.17796E-01 -0.33118E-03 14758 0.773E-02 0.346E+00
DAV: 48 -0.525671340890E+04 0.86841E-02 -0.57667E-03 12744 0.746E-02 0.325E+00
DAV: 49 -0.525670634345E+04 0.70654E-02 -0.38522E-03 12396 0.477E-02 0.302E+00
DAV: 50 -0.525669421606E+04 0.12127E-01 -0.26125E-03 13056 0.533E-02 0.269E+00
DAV: 51 -0.525668801660E+04 0.61995E-02 -0.27810E-03 11854 0.456E-02 0.244E+00
DAV: 52 -0.525668661019E+04 0.14064E-02 -0.44032E-02 15384 0.179E-01 0.223E+00
DAV: 53 -0.525667599722E+04 0.10613E-01 -0.50341E-03 13758 0.140E-01 0.198E+00
DAV: 54 -0.525667015784E+04 0.58394E-02 -0.33680E-03 12000 0.596E-02 0.176E+00
DAV: 55 -0.525666904234E+04 0.11155E-02 -0.17191E-03 11632 0.329E-02 0.165E+00
DAV: 56 -0.525666559725E+04 0.34451E-02 -0.13975E-03 15296 0.434E-02 0.148E+00
DAV: 57 -0.525666656815E+04 -0.97090E-03 -0.13758E-02 13856 0.153E-01 0.145E+00
DAV: 58 -0.525666337359E+04 0.31946E-02 -0.77451E-03 12320 0.896E-02 0.122E+00
DAV: 59 -0.525665905348E+04 0.43201E-02 -0.27344E-03 14256 0.576E-02 0.995E-01
DAV: 60 -0.525665592229E+04 0.31312E-02 -0.40306E-03 12816 0.532E-02 0.696E-01
DAV: 61 -0.525665499353E+04 0.92876E-03 -0.30796E-03 13000 0.493E-02 0.480E-01
DAV: 62 -0.525665407661E+04 0.91692E-03 -0.22027E-03 12704 0.455E-02 0.383E-01
DAV: 63 -0.525665373616E+04 0.34045E-03 -0.94407E-04 12744 0.277E-02 0.303E-01
DAV: 64 -0.525665352572E+04 0.21045E-03 -0.40014E-04 11488 0.176E-02 0.250E-01
DAV: 65 -0.525665337457E+04 0.15115E-03 -0.21182E-04 10608 0.144E-02 0.207E-01
DAV: 66 -0.525665326169E+04 0.11288E-03 -0.13109E-04 9568 0.103E-02 0.160E-01
DAV: 67 -0.525665318940E+04 0.72287E-04 -0.86291E-04 10944 0.276E-02 0.117E-01
DAV: 68 -0.525665311453E+04 0.74871E-04 -0.23309E-04 10984 0.153E-02 0.647E-02
DAV: 69 -0.525665310185E+04 0.12674E-04 -0.63652E-05 8992 0.840E-03 0.403E-02
DAV: 70 -0.525665309632E+04 0.55318E-05 -0.25481E-05 6336 0.624E-03
2 F= -.52566531E+04 E0= -.52566572E+04 d E =-.178801E+02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.525659348772E+04 0.59614E-01 -0.50163E+01 10864 0.656E+00 0.832E+00
DAV: 2 -0.525687353245E+04 -0.28004E+00 -0.28834E+00 11280 0.147E+00 0.472E+00
DAV: 3 -0.529395049388E+04 -0.37077E+02 -0.10105E+01 15016 0.757E+00 0.562E+01
DAV: 4 -0.526300718941E+04 0.30943E+02 -0.22134E+01 15400 0.632E+00 0.140E+01
DAV: 5 -0.525837586077E+04 0.46313E+01 -0.46691E+00 15152 0.435E+00 0.129E+01
DAV: 6 -0.525688406326E+04 0.14918E+01 -0.32921E+00 15544 0.174E+00 0.370E+00
DAV: 7 -0.525722090126E+04 -0.33684E+00 -0.15918E+00 14600 0.180E+00 0.508E+00
DAV: 8 -0.525689911511E+04 0.32179E+00 -0.94568E-01 14488 0.159E+00 0.288E+00
DAV: 9 -0.525684215351E+04 0.56962E-01 -0.43539E-01 14264 0.538E-01 0.164E+00
DAV: 10 -0.525682633361E+04 0.15820E-01 -0.40892E-02 13912 0.422E-01 0.971E-01
DAV: 11 -0.525682675469E+04 -0.42108E-03 -0.24975E-02 12672 0.352E-01 0.914E-01
DAV: 12 -0.525682796367E+04 -0.12090E-02 -0.15214E-02 14192 0.194E-01 0.977E-01
DAV: 13 -0.525682391907E+04 0.40446E-02 -0.18571E-02 15046 0.147E-01 0.742E-01
DAV: 14 -0.525682209410E+04 0.18250E-02 -0.87869E-03 14048 0.128E-01 0.638E-01
DAV: 15 -0.525681907598E+04 0.30181E-02 -0.74240E-03 13886 0.904E-02 0.393E-01
DAV: 16 -0.525681843948E+04 0.63650E-03 -0.50777E-03 14128 0.696E-02 0.348E-01
DAV: 17 -0.525681755323E+04 0.88625E-03 -0.38668E-03 13856 0.690E-02 0.259E-01
DAV: 18 -0.525681754494E+04 0.82834E-05 -0.18619E-03 14152 0.398E-02 0.252E-01
DAV: 19 -0.525681724017E+04 0.30478E-03 -0.77744E-04 12576 0.314E-02 0.168E-01
DAV: 20 -0.525681696854E+04 0.27163E-03 -0.64838E-04 12920 0.280E-02 0.826E-02
DAV: 21 -0.525681696884E+04 -0.30105E-06 -0.24331E-04 11488 0.155E-02 0.717E-02
DAV: 22 -0.525681694728E+04 0.21557E-04 -0.10027E-04 10464 0.107E-02 0.432E-02
DAV: 23 -0.525681694527E+04 0.20182E-05 -0.39201E-05 6992 0.711E-03
3 F= -.52568169E+04 E0= -.52568226E+04 d E =-.180439E+02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.523770312787E+04 0.19114E+02 -0.48476E+03 11056 0.716E+01 0.589E+01
DAV: 2 -0.529006505437E+04 -0.52362E+02 -0.41463E+02 10704 0.203E+01 0.343E+01
DAV: 3 -0.892292861677E+04 -0.36329E+04 -0.13281E+02 13644 0.564E+01 0.507E+02
DAV: 4 -0.527461234350E+04 0.36483E+04 -0.18929E+02 14342 0.311E+01 0.432E+01
DAV: 5 -0.530377760354E+04 -0.29165E+02 -0.12133E+02 14856 0.200E+01 0.544E+01
DAV: 6 -0.528978167032E+04 0.13996E+02 -0.80333E+01 13752 0.186E+01 0.337E+01
DAV: 7 -0.527686770914E+04 0.12914E+02 -0.45812E+01 14944 0.100E+01 0.203E+01
DAV: 8 -0.527202390426E+04 0.48438E+01 -0.17411E+01 14392 0.544E+00 0.171E+01
DAV: 9 -0.527027543689E+04 0.17485E+01 -0.92240E+00 14056 0.377E+00 0.146E+01
DAV: 10 -0.526865534264E+04 0.16201E+01 -0.39779E+00 14320 0.303E+00 0.119E+01
DAV: 11 -0.526778376052E+04 0.87158E+00 -0.18407E+00 14800 0.278E+00 0.110E+01
DAV: 12 -0.526635730749E+04 0.14265E+01 -0.26878E+00 13952 0.256E+00 0.886E+00
DAV: 13 -0.526615123894E+04 0.20607E+00 -0.33584E+00 14064 0.226E+00 0.891E+00
DAV: 14 -0.526542675863E+04 0.72448E+00 -0.79324E-01 13496 0.152E+00 0.672E+00
DAV: 15 -0.526512304249E+04 0.30372E+00 -0.49533E-01 14360 0.756E-01 0.578E+00
DAV: 16 -0.526495483466E+04 0.16821E+00 -0.24288E-01 13800 0.486E-01 0.534E+00
DAV: 17 -0.526484763742E+04 0.10720E+00 -0.21548E-01 13856 0.346E-01 0.509E+00
DAV: 18 -0.526470953510E+04 0.13810E+00 -0.16765E-01 14048 0.362E-01 0.443E+00
DAV: 19 -0.526456083185E+04 0.14870E+00 -0.14174E-01 13848 0.360E-01 0.392E+00
DAV: 20 -0.526445908117E+04 0.10175E+00 -0.71616E-02 14014 0.252E-01 0.344E+00
DAV: 21 -0.526438364470E+04 0.75436E-01 -0.38073E-02 14024 0.240E-01 0.309E+00
DAV: 22 -0.526432049312E+04 0.63152E-01 -0.39906E-02 13718 0.206E-01 0.274E+00
DAV: 23 -0.526425761920E+04 0.62874E-01 -0.33154E-02 14104 0.189E-01 0.231E+00
DAV: 24 -0.526420195746E+04 0.55662E-01 -0.20962E-02 13918 0.236E-01 0.188E+00
DAV: 25 -0.526415799947E+04 0.43958E-01 -0.30842E-02 13736 0.239E-01 0.145E+00
DAV: 26 -0.526413255802E+04 0.25441E-01 -0.28127E-02 13712 0.189E-01 0.105E+00
DAV: 27 -0.526411936222E+04 0.13196E-01 -0.15733E-02 14120 0.156E-01 0.733E-01
DAV: 28 -0.526411280180E+04 0.65604E-02 -0.86891E-03 13760 0.101E-01 0.479E-01
DAV: 29 -0.526410887980E+04 0.39220E-02 -0.39893E-03 14184 0.766E-02 0.313E-01
DAV: 30 -0.526410756689E+04 0.13129E-02 -0.34352E-03 13768 0.718E-02 0.216E-01
DAV: 31 -0.526410765055E+04 -0.83655E-04 -0.32205E-03 13712 0.658E-02 0.200E-01
DAV: 32 -0.526410770861E+04 -0.58063E-04 -0.22609E-03 13600 0.547E-02 0.186E-01
DAV: 33 -0.526410764993E+04 0.58680E-04 -0.11364E-03 13272 0.337E-02 0.185E-01
DAV: 34 -0.526410756402E+04 0.85913E-04 -0.54077E-04 13504 0.193E-02 0.148E-01
DAV: 35 -0.526410756882E+04 -0.48011E-05 -0.20073E-04 11008 0.166E-02 0.126E-01
DAV: 36 -0.526410754475E+04 0.24064E-04 -0.12340E-04 10440 0.120E-02 0.115E-01
DAV: 37 -0.526410741196E+04 0.13280E-03 -0.91227E-05 8560 0.128E-02 0.815E-02
DAV: 38 -0.526410731620E+04 0.95755E-04 -0.87032E-05 10176 0.127E-02 0.469E-02
DAV: 39 -0.526410729137E+04 0.24836E-04 -0.60343E-05 9784 0.838E-03 0.272E-02
DAV: 40 -0.526410728561E+04 0.57544E-05 -0.18129E-05 5944 0.463E-03
4 F= -.52641073E+04 E0= -.52641121E+04 d E =-.729034E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.526389088917E+04 0.21640E+00 -0.99280E+01 10984 0.104E+01 0.782E+00
DAV: 2 -0.526933669478E+04 -0.54458E+01 -0.13924E+01 10856 0.334E+00 0.197E+01
DAV: 3 -0.526766410058E+04 0.16726E+01 -0.12412E+01 12384 0.408E+00 0.118E+01
DAV: 4 -0.526597515737E+04 0.16889E+01 -0.33477E+00 15672 0.255E+00 0.860E+00
DAV: 5 -0.526744583908E+04 -0.14707E+01 -0.36138E+00 14528 0.347E+00 0.123E+01
DAV: 6 -0.526567575918E+04 0.17701E+01 -0.34240E+00 14112 0.277E+00 0.802E+00
DAV: 7 -0.526502790211E+04 0.64786E+00 -0.79189E-01 15144 0.101E+00 0.600E+00
DAV: 8 -0.526459939854E+04 0.42850E+00 -0.61152E-01 14336 0.848E-01 0.407E+00
DAV: 9 -0.526438248588E+04 0.21691E+00 -0.34635E-01 14272 0.535E-01 0.219E+00
DAV: 10 -0.526433150413E+04 0.50982E-01 -0.11978E-01 13872 0.526E-01 0.137E+00
DAV: 11 -0.526432082747E+04 0.10677E-01 -0.61076E-02 13448 0.532E-01 0.104E+00
DAV: 12 -0.526431498657E+04 0.58409E-02 -0.36196E-02 14360 0.350E-01 0.886E-01
DAV: 13 -0.526431686027E+04 -0.18737E-02 -0.54719E-02 15472 0.237E-01 0.102E+00
DAV: 14 -0.526431781143E+04 -0.95116E-03 -0.36917E-02 15352 0.236E-01 0.784E-01
DAV: 15 -0.526431593282E+04 0.18786E-02 -0.13727E-02 14352 0.240E-01 0.632E-01
DAV: 16 -0.526431158208E+04 0.43507E-02 -0.95065E-03 14784 0.132E-01 0.423E-01
DAV: 17 -0.526431016488E+04 0.14172E-02 -0.43926E-03 15176 0.760E-02 0.236E-01
DAV: 18 -0.526430989325E+04 0.27163E-03 -0.12423E-03 14136 0.477E-02 0.138E-01
DAV: 19 -0.526430985506E+04 0.38189E-04 -0.52988E-04 13544 0.365E-02 0.112E-01
DAV: 20 -0.526430985168E+04 0.33830E-05 -0.37512E-04 13136 0.248E-02 0.108E-01
DAV: 21 -0.526430983641E+04 0.15270E-04 -0.43113E-04 11704 0.234E-02 0.926E-02
DAV: 22 -0.526430978648E+04 0.49931E-04 -0.28503E-04 11144 0.196E-02 0.628E-02
DAV: 23 -0.526430976669E+04 0.19789E-04 -0.10327E-04 8504 0.116E-02 0.331E-02
DAV: 24 -0.526430976157E+04 0.51149E-05 -0.28336E-05 7224 0.947E-03
5 F= -.52643098E+04 E0= -.52643119E+04 d E =-.749282E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.523684226019E+04 0.27468E+02 -0.39130E+03 11340 0.657E+01 0.317E+01
DAV: 2 -0.539076504658E+04 -0.15392E+03 -0.39159E+02 10672 0.190E+01 0.114E+02
DAV: 3 -0.529768018033E+04 0.93085E+02 -0.13092E+02 12544 0.168E+01 0.231E+01
DAV: 4 -0.529178094392E+04 0.58992E+01 -0.21233E+01 15336 0.945E+00 0.238E+01
DAV: 5 -0.529560916024E+04 -0.38282E+01 -0.68926E+01 14632 0.101E+01 0.186E+01
DAV: 6 -0.529662093643E+04 -0.10118E+01 -0.87044E+00 14720 0.108E+01 0.197E+01
DAV: 7 -0.528830740655E+04 0.83135E+01 -0.11415E+01 14472 0.612E+00 0.155E+01
DAV: 8 -0.528166833653E+04 0.66391E+01 -0.22732E+00 15312 0.373E+00 0.134E+01
DAV: 9 -0.527993619958E+04 0.17321E+01 -0.32283E+00 12432 0.162E+00 0.136E+01
DAV: 10 -0.527647607676E+04 0.34601E+01 -0.32402E+00 13592 0.146E+00 0.120E+01
DAV: 11 -0.527695015978E+04 -0.47408E+00 -0.50447E-01 12424 0.579E-01 0.119E+01
DAV: 12 -0.527733397126E+04 -0.38381E+00 -0.19584E-01 14216 0.474E-01 0.123E+01
DAV: 13 -0.527583912897E+04 0.14948E+01 -0.54504E-01 14776 0.758E-01 0.130E+01
DAV: 14 -0.527285469108E+04 0.29844E+01 -0.10418E+00 16224 0.133E+00 0.102E+01
DAV: 15 -0.527056023416E+04 0.22945E+01 -0.19524E+00 16320 0.245E+00 0.887E+00
DAV: 16 -0.527025458592E+04 0.30565E+00 -0.13071E+00 11888 0.696E-01 0.780E+00
DAV: 17 -0.527025773800E+04 -0.31521E-02 -0.13423E-01 14000 0.222E-01 0.781E+00
DAV: 18 -0.527009355312E+04 0.16418E+00 -0.11394E-01 14296 0.325E-01 0.782E+00
DAV: 19 -0.527016801179E+04 -0.74459E-01 -0.44360E-02 13328 0.164E-01 0.858E+00
DAV: 20 -0.527006238615E+04 0.10563E+00 -0.28575E-01 13976 0.395E-01 0.934E+00
DAV: 21 -0.526977691603E+04 0.28547E+00 -0.32873E-01 13856 0.379E-01 0.819E+00
DAV: 22 -0.526948753087E+04 0.28939E+00 -0.21814E-01 14184 0.412E-01 0.673E+00
DAV: 23 -0.526934635175E+04 0.14118E+00 -0.28690E-01 13776 0.541E-01 0.700E+00
DAV: 24 -0.526918406756E+04 0.16228E+00 -0.11275E-01 14262 0.318E-01 0.591E+00
DAV: 25 -0.526911165206E+04 0.72416E-01 -0.61157E-02 14760 0.219E-01 0.498E+00
DAV: 26 -0.526905519083E+04 0.56461E-01 -0.54079E-02 14478 0.222E-01 0.414E+00
DAV: 27 -0.526901218123E+04 0.43010E-01 -0.90512E-02 14184 0.234E-01 0.351E+00
DAV: 28 -0.526894945859E+04 0.62723E-01 -0.13497E-01 14126 0.385E-01 0.295E+00
DAV: 29 -0.526891609013E+04 0.33368E-01 -0.95361E-02 14144 0.298E-01 0.257E+00
DAV: 30 -0.526888702168E+04 0.29068E-01 -0.51554E-02 14520 0.249E-01 0.188E+00
DAV: 31 -0.526887333035E+04 0.13691E-01 -0.33639E-02 12488 0.198E-01 0.143E+00
DAV: 32 -0.526886626735E+04 0.70630E-02 -0.29293E-02 12720 0.142E-01 0.113E+00
DAV: 33 -0.526886209660E+04 0.41708E-02 -0.14512E-02 13536 0.115E-01 0.875E-01
DAV: 34 -0.526886080463E+04 0.12920E-02 -0.67306E-03 13672 0.123E-01 0.833E-01
DAV: 35 -0.526886564385E+04 -0.48392E-02 -0.76151E-03 13824 0.877E-02 0.108E+00
DAV: 36 -0.526886400629E+04 0.16376E-02 -0.33371E-03 13728 0.600E-02 0.103E+00
DAV: 37 -0.526885907300E+04 0.49333E-02 -0.36411E-03 13888 0.627E-02 0.730E-01
DAV: 38 -0.526885754374E+04 0.15293E-02 -0.25200E-03 12136 0.430E-02 0.534E-01
DAV: 39 -0.526885666790E+04 0.87584E-03 -0.80655E-04 13680 0.307E-02 0.398E-01
DAV: 40 -0.526885627924E+04 0.38865E-03 -0.66617E-04 12880 0.286E-02 0.311E-01
DAV: 41 -0.526885594189E+04 0.33735E-03 -0.53531E-04 13120 0.256E-02 0.249E-01
DAV: 42 -0.526885578750E+04 0.15439E-03 -0.47273E-04 13312 0.222E-02 0.215E-01
DAV: 43 -0.526885577038E+04 0.17113E-04 -0.38187E-04 12680 0.217E-02 0.209E-01
DAV: 44 -0.526885557330E+04 0.19708E-03 -0.20336E-04 11528 0.170E-02 0.180E-01
DAV: 45 -0.526885549495E+04 0.78351E-04 -0.12367E-04 10736 0.109E-02 0.169E-01
DAV: 46 -0.526885546965E+04 0.25306E-04 -0.64943E-05 8816 0.715E-03 0.165E-01
DAV: 47 -0.526885539159E+04 0.78053E-04 -0.37912E-05 7536 0.946E-03 0.146E-01
DAV: 48 -0.526885541212E+04 -0.20529E-04 -0.31410E-05 6968 0.766E-03 0.144E-01
DAV: 49 -0.526885528815E+04 0.12397E-03 -0.44616E-05 7080 0.923E-03 0.918E-02
DAV: 50 -0.526885526363E+04 0.24522E-04 -0.52597E-05 8496 0.608E-03 0.692E-02
DAV: 51 -0.526885526455E+04 -0.92067E-06 -0.65444E-06 5600 0.211E-03
6 F= -.52688553E+04 E0= -.52688721E+04 d E =-.454550E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.526814424323E+04 0.71102E+00 -0.12615E+02 11272 0.118E+01 0.579E+00
DAV: 2 -0.526964753984E+04 -0.15033E+01 -0.12069E+01 10648 0.288E+00 0.604E+00
DAV: 3 -0.528492403000E+04 -0.15276E+02 -0.17134E+01 13976 0.438E+00 0.367E+01
DAV: 4 -0.527014549435E+04 0.14779E+02 -0.14436E+01 15592 0.382E+00 0.123E+01
DAV: 5 -0.527055828027E+04 -0.41279E+00 -0.44721E+00 14648 0.277E+00 0.119E+01
DAV: 6 -0.526957039233E+04 0.98789E+00 -0.51955E+00 15552 0.244E+00 0.628E+00
DAV: 7 -0.526921843683E+04 0.35196E+00 -0.86474E-01 14464 0.109E+00 0.300E+00
DAV: 8 -0.526916339043E+04 0.55046E-01 -0.21244E-01 14520 0.977E-01 0.224E+00
DAV: 9 -0.526915459999E+04 0.87904E-02 -0.20050E-01 13128 0.854E-01 0.150E+00
DAV: 10 -0.526912782657E+04 0.26773E-01 -0.56376E-02 13392 0.616E-01 0.915E-01
DAV: 11 -0.526912529114E+04 0.25354E-02 -0.35661E-02 14824 0.402E-01 0.869E-01
DAV: 12 -0.526912204956E+04 0.32416E-02 -0.29823E-02 14800 0.216E-01 0.696E-01
DAV: 13 -0.526912422849E+04 -0.21789E-02 -0.22504E-02 15392 0.177E-01 0.755E-01
DAV: 14 -0.526911970817E+04 0.45203E-02 -0.11802E-02 14664 0.185E-01 0.415E-01
DAV: 15 -0.526911911109E+04 0.59708E-03 -0.32485E-03 14200 0.933E-02 0.315E-01
DAV: 16 -0.526911865470E+04 0.45639E-03 -0.22694E-03 14104 0.625E-02 0.252E-01
DAV: 17 -0.526911826797E+04 0.38673E-03 -0.14270E-03 14600 0.365E-02 0.161E-01
DAV: 18 -0.526911813226E+04 0.13570E-03 -0.70470E-04 13616 0.472E-02 0.114E-01
DAV: 19 -0.526911800602E+04 0.12625E-03 -0.38569E-04 12496 0.263E-02 0.777E-02