N E dE d eps ncg rms rms(c) DAV: 1 0.362420869110E+04 0.36242E+04 -0.24997E+05 5824 0.119E+03 DAV: 2 -0.446341152262E+03 -0.40705E+04 -0.39883E+04 6912 0.326E+02 DAV: 3 -0.744019593268E+03 -0.29768E+03 -0.29652E+03 7424 0.959E+01 DAV: 4 -0.750151954335E+03 -0.61324E+01 -0.61191E+01 8064 0.132E+01 DAV: 5 -0.750479209684E+03 -0.32726E+00 -0.32717E+00 8800 0.199E+00 0.133E+02 DAV: 6 -0.674257056589E+03 0.76222E+02 -0.30907E+02 6784 0.281E+01 0.759E+01 DAV: 7 -0.674357928884E+03 -0.10087E+00 -0.21734E+01 7040 0.756E+00 0.125E+01 DAV: 8 -0.674197109320E+03 0.16082E+00 -0.13602E+00 7360 0.224E+00 0.392E+00 DAV: 9 -0.674200410881E+03 -0.33016E-02 -0.24248E-01 6976 0.108E+00 0.109E+00 DAV: 10 -0.674207661363E+03 -0.72505E-02 -0.57595E-02 7808 0.567E-01 0.534E-01 DAV: 11 -0.674210112910E+03 -0.24515E-02 -0.12145E-02 6688 0.253E-01 0.255E-01 DAV: 12 -0.674210317677E+03 -0.20477E-03 -0.41968E-03 6688 0.155E-01 0.836E-02 DAV: 13 -0.674210353307E+03 -0.35629E-04 -0.13794E-03 7008 0.916E-02 0.551E-02 DAV: 14 -0.674210357522E+03 -0.42151E-05 -0.48921E-04 6784 0.539E-02 0.289E-02 DAV: 15 -0.674210355862E+03 0.16600E-05 -0.93018E-05 7552 0.223E-02 1 F= -.68635387E+03 E0= -.68635387E+03 d E =-.686354E+03 N E dE d eps ncg rms rms(c) DAV: 1 -0.674245117650E+03 -0.34760E-01 -0.49301E+02 5632 0.438E+01 0.169E+01 DAV: 2 -0.672912908457E+03 0.13322E+01 -0.21613E+01 7040 0.852E+00 0.851E+00 DAV: 3 -0.672489534047E+03 0.42337E+00 -0.10379E+00 7072 0.215E+00 0.510E+00 DAV: 4 -0.672355418233E+03 0.13412E+00 -0.58593E-01 7552 0.157E+00 0.172E+00 DAV: 5 -0.672355853719E+03 -0.43549E-03 -0.86086E-02 6912 0.588E-01 0.146E+00 DAV: 6 -0.672354679272E+03 0.11744E-02 -0.92558E-03 7456 0.175E-01 0.917E-01 DAV: 7 -0.672354001468E+03 0.67780E-03 -0.34039E-03 7456 0.149E-01 0.140E-01 DAV: 8 -0.672353938871E+03 0.62597E-04 -0.16997E-03 7072 0.839E-02 0.660E-02 DAV: 9 -0.672353944172E+03 -0.53008E-05 -0.16820E-04 6848 0.254E-02 0.564E-02 DAV: 10 -0.672353940953E+03 0.32184E-05 -0.34648E-05 6560 0.145E-02 2 F= -.68489993E+03 E0= -.68489993E+03 d E =0.145394E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.675540360111E+03 -0.31864E+01 -0.18621E+02 5632 0.268E+01 0.104E+01 DAV: 2 -0.675019405583E+03 0.52095E+00 -0.67914E+00 7168 0.496E+00 0.420E+00 DAV: 3 -0.674831633974E+03 0.18777E+00 -0.64117E-01 7040 0.167E+00 0.147E+00 DAV: 4 -0.674816403444E+03 0.15231E-01 -0.12575E-01 7424 0.651E-01 0.812E-01 DAV: 5 -0.674814869962E+03 0.15335E-02 -0.98578E-03 7264 0.227E-01 0.444E-01 DAV: 6 -0.674814267668E+03 0.60229E-03 -0.35402E-03 7520 0.140E-01 0.145E-01 DAV: 7 -0.674814181842E+03 0.85826E-04 -0.93033E-04 7584 0.660E-02 0.656E-02 DAV: 8 -0.674814141125E+03 0.40718E-04 -0.13092E-04 6784 0.246E-02 0.370E-02 DAV: 9 -0.674814116037E+03 0.25088E-04 -0.41490E-05 7264 0.179E-02 0.150E-02 DAV: 10 -0.674814109063E+03 0.69732E-05 -0.30255E-05 6080 0.141E-02 3 F= -.68711464E+03 E0= -.68711464E+03 d E =-.760767E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.677302250909E+03 -0.24881E+01 -0.27256E+02 5632 0.324E+01 0.135E+01 DAV: 2 -0.675389861052E+03 0.19124E+01 -0.13526E+01 6944 0.654E+00 0.594E+00 DAV: 3 -0.675125731062E+03 0.26413E+00 -0.62068E-01 7008 0.158E+00 0.321E+00 DAV: 4 -0.675076020210E+03 0.49711E-01 -0.34043E-01 7296 0.110E+00 0.123E+00 DAV: 5 -0.675077846480E+03 -0.18263E-02 -0.29758E-02 7200 0.330E-01 0.122E+00 DAV: 6 -0.675078289265E+03 -0.44278E-03 -0.40473E-03 8224 0.102E-01 0.769E-01 DAV: 7 -0.675078345326E+03 -0.56061E-04 -0.34422E-03 7520 0.132E-01 0.166E-01 DAV: 8 -0.675078424292E+03 -0.78966E-04 -0.13378E-03 6976 0.653E-02 0.128E-01 DAV: 9 -0.675078427036E+03 -0.27440E-05 -0.60228E-05 6912 0.150E-02 4 F= -.68773567E+03 E0= -.68773567E+03 d E =-.621035E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.675371276715E+03 -0.29285E+00 -0.16306E+01 5632 0.790E+00 0.318E+00 DAV: 2 -0.675255054057E+03 0.11622E+00 -0.70155E-01 7008 0.152E+00 0.133E+00 DAV: 3 -0.675237989967E+03 0.17064E-01 -0.46161E-02 6976 0.415E-01 0.542E-01 DAV: 4 -0.675236056384E+03 0.19336E-02 -0.13298E-02 7392 0.209E-01 0.246E-01 DAV: 5 -0.675236047989E+03 0.83954E-05 -0.10020E-03 8224 0.618E-02 0.195E-01 DAV: 6 -0.675236041696E+03 0.62926E-05 -0.19795E-04 8576 0.252E-02 0.708E-02 DAV: 7 -0.675236007724E+03 0.33972E-04 -0.58080E-05 7552 0.186E-02 0.177E-02 DAV: 8 -0.675236004462E+03 0.32627E-05 -0.25324E-05 5856 0.927E-03 5 F= -.68780707E+03 E0= -.68780707E+03 d E =-.692429E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.676016506080E+03 -0.78050E+00 -0.16379E+02 5632 0.248E+01 0.121E+01 DAV: 2 -0.675077279698E+03 0.93923E+00 -0.68388E+00 7168 0.482E+00 0.384E+00 DAV: 3 -0.674940153191E+03 0.13713E+00 -0.57315E-01 6624 0.141E+00 0.189E+00 DAV: 4 -0.674921171584E+03 0.18982E-01 -0.10115E-01 7264 0.632E-01 0.822E-01 DAV: 5 -0.674921147089E+03 0.24494E-04 -0.11975E-02 7968 0.256E-01 0.306E-01 DAV: 6 -0.674921140156E+03 0.69331E-05 -0.27492E-03 7200 0.114E-01 0.128E-01 DAV: 7 -0.674921106114E+03 0.34043E-04 -0.47853E-04 7296 0.532E-02 0.544E-02 DAV: 8 -0.674921083359E+03 0.22754E-04 -0.12027E-04 8032 0.398E-02 0.241E-02 DAV: 9 -0.674921074142E+03 0.92172E-05 -0.65339E-05 7584 0.296E-02 6 F= -.68773229E+03 E0= -.68773229E+03 d E =0.747736E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.675665672257E+03 -0.74459E+00 -0.46553E+01 5760 0.133E+01 0.583E+00 DAV: 2 -0.675410440630E+03 0.25523E+00 -0.17224E+00 7168 0.245E+00 0.237E+00 DAV: 3 -0.675368617589E+03 0.41823E-01 -0.18710E-01 6656 0.784E-01 0.132E+00 DAV: 4 -0.675362618107E+03 0.59995E-02 -0.34210E-02 7360 0.372E-01 0.547E-01 DAV: 5 -0.675362233973E+03 0.38413E-03 -0.53702E-03 7584 0.160E-01 0.190E-01 DAV: 6 -0.675362044474E+03 0.18950E-03 -0.17120E-03 6752 0.851E-02 0.834E-02 DAV: 7 -0.675361984316E+03 0.60158E-04 -0.31264E-04 7104 0.356E-02 0.257E-02 DAV: 8 -0.675361968170E+03 0.16146E-04 -0.39673E-05 6272 0.185E-02 0.163E-02 DAV: 9 -0.675361956097E+03 0.12073E-04 -0.12965E-05 5472 0.143E-02 0.629E-03 DAV: 10 -0.675361949801E+03 0.62961E-05 -0.87307E-06 4864 0.103E-02 7 F= -.68804551E+03 E0= -.68804551E+03 d E =-.238445E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.675469202944E+03 -0.10725E+00 -0.36931E+01 5632 0.118E+01 0.492E+00 DAV: 2 -0.675493543318E+03 -0.24340E-01 -0.10661E+00 7168 0.194E+00 0.202E+00 DAV: 3 -0.675477172331E+03 0.16371E-01 -0.66591E-02 6912 0.546E-01 0.962E-01 DAV: 4 -0.675475548927E+03 0.16234E-02 -0.14604E-02 7424 0.249E-01 0.340E-01 DAV: 5 -0.675475446686E+03 0.10224E-03 -0.22943E-03 8320 0.121E-01 0.109E-01 DAV: 6 -0.675475446847E+03 -0.16113E-06 -0.38267E-04 7232 0.403E-02 0.594E-02 DAV: 7 -0.675475438231E+03 0.86158E-05 -0.79484E-05 6912 0.198E-02 8 F= -.68822522E+03 E0= -.68822522E+03 d E =-.179712E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.675470296007E+03 0.51508E-02 -0.33660E-01 6144 0.113E+00 0.446E-01 DAV: 2 -0.675470525866E+03 -0.22986E-03 -0.99414E-03 7168 0.188E-01 0.204E-01 DAV: 3 -0.675470352892E+03 0.17297E-03 -0.65672E-04 6912 0.549E-02 0.106E-01 DAV: 4 -0.675470333188E+03 0.19704E-04 -0.14900E-04 7424 0.263E-02 0.364E-02 DAV: 5 -0.675470335950E+03 -0.27626E-05 -0.26314E-05 5696 0.142E-02 9 F= -.68822635E+03 E0= -.68822635E+03 d E =-.180832E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.675570064905E+03 -0.99732E-01 -0.74478E+00 5632 0.523E+00 0.906E-01 DAV: 2 -0.675582885843E+03 -0.12821E-01 -0.17435E-01 6912 0.759E-01 0.399E-01 DAV: 3 -0.675581298007E+03 0.15878E-02 -0.38754E-03 7168 0.144E-01 0.237E-01 DAV: 4 -0.675580933788E+03 0.36422E-03 -0.32705E-03 6912 0.126E-01 0.856E-02 DAV: 5 -0.675580914813E+03 0.18975E-04 -0.53019E-04 6976 0.549E-02 0.428E-02 DAV: 6 -0.675580918988E+03 -0.41745E-05 -0.12349E-04 6912 0.214E-02 0.220E-02 DAV: 7 -0.675580916140E+03 0.28471E-05 -0.80082E-06 4800 0.962E-03 10 F= -.68834353E+03 E0= -.68834353E+03 d E =-.117184E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.675705390104E+03 -0.12447E+00 -0.67106E+01 5632 0.157E+01 0.277E+00 DAV: 2 -0.675821531608E+03 -0.11614E+00 -0.15968E+00 6912 0.229E+00 0.120E+00 DAV: 3 -0.675807216941E+03 0.14315E-01 -0.34762E-02 7168 0.435E-01 0.735E-01 DAV: 4 -0.675803722925E+03 0.34940E-02 -0.30900E-02 6912 0.388E-01 0.268E-01 DAV: 5 -0.675803486568E+03 0.23636E-03 -0.51805E-03 6944 0.171E-01 0.136E-01 DAV: 6 -0.675803511435E+03 -0.24866E-04 -0.11950E-03 6944 0.661E-02 0.685E-02 DAV: 7 -0.675803472195E+03 0.39240E-04 -0.94748E-05 7232 0.315E-02 0.328E-02 DAV: 8 -0.675803464083E+03 0.81120E-05 -0.48997E-05 6912 0.186E-02 11 F= -.68858352E+03 E0= -.68858352E+03 d E =-.357171E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.675332409064E+03 0.47106E+00 -0.26868E+02 5632 0.314E+01 0.574E+00 DAV: 2 -0.675809871759E+03 -0.47746E+00 -0.66490E+00 6912 0.466E+00 0.244E+00 DAV: 3 -0.675752370931E+03 0.57501E-01 -0.14036E-01 7168 0.879E-01 0.156E+00 DAV: 4 -0.675737236336E+03 0.15135E-01 -0.12628E-01 6912 0.784E-01 0.581E-01 DAV: 5 -0.675736225496E+03 0.10108E-02 -0.22361E-02 6976 0.360E-01 0.289E-01 DAV: 6 -0.675736369718E+03 -0.14422E-03 -0.48196E-03 6944 0.133E-01 0.142E-01 DAV: 7 -0.675736201181E+03 0.16854E-03 -0.42977E-04 8192 0.674E-02 0.651E-02 DAV: 8 -0.675736168940E+03 0.32240E-04 -0.19802E-04 6976 0.360E-02 0.262E-02 DAV: 9 -0.675736155940E+03 0.13000E-04 -0.78076E-05 6912 0.217E-02 0.125E-02 DAV: 10 -0.675736150044E+03 0.58965E-05 -0.96251E-06 4672 0.959E-03 12 F= -.68854282E+03 E0= -.68854282E+03 d E =-.316473E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.675734588699E+03 0.15672E-02 -0.84755E+01 5632 0.176E+01 0.297E+00 DAV: 2 -0.675883724685E+03 -0.14914E+00 -0.19928E+00 6912 0.257E+00 0.132E+00 DAV: 3 -0.675864412953E+03 0.19312E-01 -0.47682E-02 7200 0.504E-01 0.743E-01 DAV: 4 -0.675860338922E+03 0.40740E-02 -0.32042E-02 6912 0.393E-01 0.279E-01 DAV: 5 -0.675860130013E+03 0.20891E-03 -0.51002E-03 7040 0.175E-01 0.121E-01 DAV: 6 -0.675860150621E+03 -0.20608E-04 -0.10633E-03 6912 0.625E-02 0.702E-02 DAV: 7 -0.675860097342E+03 0.53278E-04 -0.87262E-05 7424 0.297E-02 0.374E-02 DAV: 8 -0.675860077687E+03 0.19655E-04 -0.53370E-05 6816 0.212E-02 0.136E-02 DAV: 9 -0.675860074777E+03 0.29103E-05 -0.22383E-05 5888 0.120E-02 13 F= -.68865283E+03 E0= -.68865283E+03 d E =-.426482E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.675975079911E+03 -0.11500E+00 -0.27814E+01 5632 0.101E+01 0.264E+00 DAV: 2 -0.676031372999E+03 -0.56293E-01 -0.76172E-01 7072 0.160E+00 0.168E+00 DAV: 3 -0.676024424834E+03 0.69482E-02 -0.21541E-02 7200 0.321E-01 0.103E+00 DAV: 4 -0.676022543732E+03 0.18811E-02 -0.13372E-02 6944 0.244E-01 0.278E-01 DAV: 5 -0.676022370890E+03 0.17284E-03 -0.25522E-03 7424 0.135E-01 0.902E-02 DAV: 6 -0.676022362510E+03 0.83799E-05 -0.58408E-04 6912 0.452E-02 0.526E-02 DAV: 7 -0.676022329325E+03 0.33185E-04 -0.10361E-04 7040 0.238E-02 0.193E-02 DAV: 8 -0.676022323140E+03 0.61859E-05 -0.20487E-05 5664 0.131E-02 14 F= -.68880366E+03 E0= -.68880366E+03 d E =-.150834E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.676035329854E+03 -0.13001E-01 -0.82475E+00 5632 0.548E+00 0.146E+00 DAV: 2 -0.676051903710E+03 -0.16574E-01 -0.22455E-01 7072 0.872E-01 0.888E-01 DAV: 3 -0.676049782812E+03 0.21209E-02 -0.65459E-03 7232 0.178E-01 0.500E-01 DAV: 4 -0.676049282251E+03 0.50056E-03 -0.34599E-03 6944 0.123E-01 0.144E-01 DAV: 5 -0.676049241376E+03 0.40874E-04 -0.64379E-04 7424 0.691E-02 0.459E-02 DAV: 6 -0.676049236695E+03 0.46814E-05 -0.14985E-04 6944 0.230E-02 0.272E-02 DAV: 7 -0.676049226096E+03 0.10599E-04 -0.32736E-05 6688 0.131E-02 0.960E-03 DAV: 8 -0.676049224171E+03 0.19246E-05 -0.56749E-06 4704 0.710E-03 15 F= -.68882418E+03 E0= -.68882418E+03 d E =-.171349E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.676091231549E+03 -0.42005E-01 -0.44964E+00 5632 0.405E+00 0.767E-01 DAV: 2 -0.676097656194E+03 -0.64246E-02 -0.10891E-01 7168 0.615E-01 0.367E-01 DAV: 3 -0.676096515203E+03 0.11410E-02 -0.36274E-03 7200 0.139E-01 0.200E-01 DAV: 4 -0.676096213758E+03 0.30144E-03 -0.12690E-03 6912 0.801E-02 0.682E-02 DAV: 5 -0.676096201519E+03 0.12240E-04 -0.23184E-04 7360 0.402E-02 0.308E-02 DAV: 6 -0.676096204938E+03 -0.34195E-05 -0.65373E-05 6912 0.168E-02 16 F= -.68888123E+03 E0= -.68888123E+03 d E =-.570543E-01 N E dE d eps ncg 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