N E dE d eps ncg rms rms(c) DAV: 1 0.245197646180E+04 0.24520E+04 -0.19642E+05 3136 0.165E+03 DAV: 2 -0.343700052795E+03 -0.27957E+04 -0.27189E+04 4064 0.353E+02 DAV: 3 -0.526155297469E+03 -0.18246E+03 -0.18166E+03 3808 0.945E+01 DAV: 4 -0.528196457803E+03 -0.20412E+01 -0.20355E+01 4032 0.108E+01 DAV: 5 -0.528226645103E+03 -0.30187E-01 -0.30176E-01 3808 0.127E+00 0.103E+02 DAV: 6 -0.444491728151E+03 0.83735E+02 -0.25322E+02 3584 0.354E+01 0.439E+01 DAV: 7 -0.441876962837E+03 0.26148E+01 -0.17069E+01 3712 0.892E+00 0.234E+01 DAV: 8 -0.441473061437E+03 0.40390E+00 -0.13439E+00 3968 0.328E+00 0.206E+00 DAV: 9 -0.441488248616E+03 -0.15187E-01 -0.16675E-01 3584 0.104E+00 0.928E-01 DAV: 10 -0.441506353913E+03 -0.18105E-01 -0.21658E-02 3584 0.388E-01 0.360E-01 DAV: 11 -0.441511495112E+03 -0.51412E-02 -0.67457E-03 3744 0.264E-01 0.101E-01 DAV: 12 -0.441512003212E+03 -0.50810E-03 -0.96046E-04 3648 0.893E-02 0.871E-02 DAV: 13 -0.441512075603E+03 -0.72391E-04 -0.24317E-04 3264 0.543E-02 1 F= -.44151208E+03 E0= -.44151208E+03 d E =-.441512E+03 N E dE d eps ncg rms rms(c) DAV: 1 0.191685891295E+03 0.63320E+03 -0.50586E+04 4448 0.379E+02 0.101E+02 DAV: 2 -0.349528531336E+03 -0.54121E+03 -0.59051E+03 4256 0.141E+02 0.113E+02 DAV: 3 -0.174432383926E+03 0.17510E+03 -0.31949E+02 4160 0.433E+01 0.551E+01 DAV: 4 -0.155206002415E+03 0.19226E+02 -0.66924E+01 3840 0.195E+01 0.570E+01 DAV: 5 -0.158845125430E+03 -0.36391E+01 -0.39950E+01 4128 0.162E+01 0.599E+01 DAV: 6 -0.153578562434E+03 0.52666E+01 -0.20999E+01 4256 0.149E+01 0.311E+01 DAV: 7 -0.144819790669E+03 0.87588E+01 -0.21547E+01 3968 0.132E+01 0.239E+01 DAV: 8 -0.143952523203E+03 0.86727E+00 -0.10735E+01 3872 0.647E+00 0.188E+01 DAV: 9 -0.142511214786E+03 0.14413E+01 -0.18293E+00 3904 0.332E+00 0.131E+01 DAV: 10 -0.142341265597E+03 0.16995E+00 -0.34028E-01 3552 0.139E+00 0.116E+01 DAV: 11 -0.142711198639E+03 -0.36993E+00 -0.24803E+00 3584 0.269E+00 0.147E+01 DAV: 12 -0.142192598673E+03 0.51860E+00 -0.12835E+00 3872 0.235E+00 0.710E+00 DAV: 13 -0.142114602424E+03 0.77996E-01 -0.21152E-01 4032 0.995E-01 0.550E+00 DAV: 14 -0.142093742886E+03 0.20860E-01 -0.85684E-02 3584 0.672E-01 0.331E+00 DAV: 15 -0.142111745956E+03 -0.18003E-01 -0.20149E-02 3744 0.326E-01 0.355E+00 DAV: 16 -0.142080857785E+03 0.30888E-01 -0.53826E-02 3808 0.397E-01 0.162E+00 DAV: 17 -0.142086509125E+03 -0.56513E-02 -0.74196E-03 3584 0.205E-01 0.879E-01 DAV: 18 -0.142087752591E+03 -0.12435E-02 -0.18558E-03 3552 0.111E-01 0.816E-01 DAV: 19 -0.142085147154E+03 0.26054E-02 -0.62510E-03 3680 0.127E-01 0.294E-01 DAV: 20 -0.142085423186E+03 -0.27603E-03 -0.10937E-03 3584 0.737E-02 0.176E-01 DAV: 21 -0.142085372855E+03 0.50331E-04 -0.10763E-04 2368 0.230E-02 2 F= -.14208537E+03 E0= -.14204212E+03 d E =0.299427E+03 N E dE d eps ncg rms rms(c) DAV: 1 -0.227884980341E+03 -0.85800E+02 -0.94813E+03 3136 0.210E+02 0.675E+01 DAV: 2 -0.323053027397E+03 -0.95168E+02 -0.92036E+02 3712 0.632E+01 0.531E+01 DAV: 3 -0.255661810312E+03 0.67391E+02 -0.86672E+01 3520 0.317E+01 0.380E+01 DAV: 4 -0.249934320351E+03 0.57275E+01 -0.29588E+01 3488 0.149E+01 0.219E+01 DAV: 5 -0.253559604505E+03 -0.36253E+01 -0.12262E+01 3904 0.881E+00 0.267E+01 DAV: 6 -0.247586244172E+03 0.59734E+01 -0.75754E+00 3840 0.641E+00 0.152E+01 DAV: 7 -0.249349108598E+03 -0.17629E+01 -0.77755E+00 3968 0.655E+00 0.265E+01 DAV: 8 -0.246288805718E+03 0.30603E+01 -0.25229E+00 4032 0.399E+00 0.138E+01 DAV: 9 -0.247002149295E+03 -0.71334E+00 -0.38711E+00 4096 0.385E+00 0.196E+01 DAV: 10 -0.245683335135E+03 0.13188E+01 -0.78533E-01 3776 0.184E+00 0.987E+00 DAV: 11 -0.245847897476E+03 -0.16456E+00 -0.20993E-01 3584 0.916E-01 0.125E+01 DAV: 12 -0.245549828028E+03 0.29807E+00 -0.91503E-01 4096 0.954E-01 0.537E+00 DAV: 13 -0.245497252855E+03 0.52575E-01 -0.31381E-01 3680 0.780E-01 0.220E+00 DAV: 14 -0.245497590445E+03 -0.33759E-03 -0.12667E-01 3616 0.418E-01 0.316E+00 DAV: 15 -0.245473177079E+03 0.24413E-01 -0.75109E-02 3360 0.250E-01 0.101E+00 DAV: 16 -0.245476877196E+03 -0.37001E-02 -0.32924E-03 3168 0.152E-01 0.861E-01 DAV: 17 -0.245476788321E+03 0.88875E-04 -0.39385E-03 3456 0.128E-01 0.398E-01 DAV: 18 -0.245476811561E+03 -0.23240E-04 -0.19017E-03 3520 0.696E-02 0.552E-01 DAV: 19 -0.245475910758E+03 0.90080E-03 -0.93257E-04 2624 0.460E-02 0.188E-01 DAV: 20 -0.245475858530E+03 0.52228E-04 -0.42986E-04 1792 0.287E-02 3 F= -.24547586E+03 E0= -.24542104E+03 d E =0.196036E+03 N E dE d eps ncg rms rms(c) DAV: 1 -0.297996103005E+03 -0.52520E+02 -0.31505E+03 3136 0.120E+02 0.440E+01 DAV: 2 -0.325047174914E+03 -0.27051E+02 -0.22017E+02 3264 0.316E+01 0.470E+01 DAV: 3 -0.300875024959E+03 0.24172E+02 -0.20579E+01 3936 0.169E+01 0.167E+01 DAV: 4 -0.312396991417E+03 -0.11522E+02 -0.40330E+01 3456 0.143E+01 0.326E+01 DAV: 5 -0.299149363178E+03 0.13248E+02 -0.58115E+00 3968 0.885E+00 0.233E+01 DAV: 6 -0.299414036165E+03 -0.26467E+00 -0.38211E+00 3392 0.390E+00 0.167E+01 DAV: 7 -0.298231309934E+03 0.11827E+01 -0.11081E+00 3648 0.235E+00 0.700E+00 DAV: 8 -0.298208183886E+03 0.23126E-01 -0.55748E-01 3808 0.134E+00 0.556E+00 DAV: 9 -0.298313934541E+03 -0.10575E+00 -0.11181E+00 4064 0.138E+00 0.703E+00 DAV: 10 -0.298322069896E+03 -0.81354E-02 -0.14139E+00 3360 0.123E+00 0.826E+00 DAV: 11 -0.298141208072E+03 0.18086E+00 -0.23961E-01 3232 0.599E-01 0.445E+00 DAV: 12 -0.298124753182E+03 0.16455E-01 -0.48857E-02 3744 0.366E-01 0.203E+00 DAV: 13 -0.298134589976E+03 -0.98368E-02 -0.17160E-02 3424 0.217E-01 0.197E+00 DAV: 14 -0.298125430126E+03 0.91599E-02 -0.21700E-02 3744 0.149E-01 0.944E-01 DAV: 15 -0.298126657425E+03 -0.12273E-02 -0.91529E-03 3744 0.123E-01 0.117E+00 DAV: 16 -0.298124365895E+03 0.22915E-02 -0.31684E-03 3296 0.756E-02 0.423E-01 DAV: 17 -0.298124479226E+03 -0.11333E-03 -0.64346E-04 2656 0.430E-02 0.118E-01 DAV: 18 -0.298124536189E+03 -0.56963E-04 -0.16481E-04 1568 0.237E-02 4 F= -.29812454E+03 E0= -.29807691E+03 d E =0.143388E+03 N E dE d eps ncg rms rms(c) DAV: 1 -0.371627632525E+03 -0.73503E+02 -0.11517E+04 3136 0.227E+02 0.502E+01 DAV: 2 -0.437658246772E+03 -0.66031E+02 -0.94496E+02 3168 0.632E+01 0.380E+01 DAV: 3 -0.422878284833E+03 0.14780E+02 -0.35925E+01 3712 0.188E+01 0.219E+01 DAV: 4 -0.421179214529E+03 0.16991E+01 -0.19073E+01 3392 0.973E+00 0.840E+00 DAV: 5 -0.421029374279E+03 0.14984E+00 -0.98637E-01 3808 0.367E+00 0.228E+00 DAV: 6 -0.421006699222E+03 0.22675E-01 -0.29046E-01 3808 0.148E+00 0.138E+00 DAV: 7 -0.420993813315E+03 0.12886E-01 -0.36590E-02 3808 0.601E-01 0.729E-01 DAV: 8 -0.420992623119E+03 0.11902E-02 -0.17721E-02 3584 0.308E-01 0.300E-01 DAV: 9 -0.420992056306E+03 0.56681E-03 -0.33556E-03 3584 0.152E-01 0.146E-01 DAV: 10 -0.420992088353E+03 -0.32047E-04 -0.25623E-04 3616 0.453E-02 5 F= -.42099209E+03 E0= -.42099209E+03 d E =0.205200E+02 N E dE d eps ncg rms rms(c) DAV: 1 -0.474700130413E+03 -0.53708E+02 -0.32999E+03 3136 0.129E+02 0.196E+01 DAV: 2 -0.483003630380E+03 -0.83035E+01 -0.12433E+02 3776 0.241E+01 0.974E+00 DAV: 3 -0.482107477808E+03 0.89615E+00 -0.26699E+00 3904 0.408E+00 0.547E+00 DAV: 4 -0.481696905242E+03 0.41057E+00 -0.16379E+00 3616 0.317E+00 0.137E+00 DAV: 5 -0.481679665577E+03 0.17240E-01 -0.23956E-01 4032 0.143E+00 0.574E-01 DAV: 6 -0.481681545315E+03 -0.18797E-02 -0.31432E-02 4032 0.442E-01 0.515E-01 DAV: 7 -0.481681048219E+03 0.49710E-03 -0.25461E-03 4032 0.151E-01 0.298E-01 DAV: 8 -0.481681151053E+03 -0.10283E-03 -0.20926E-03 4032 0.144E-01 0.684E-02 DAV: 9 -0.481681079255E+03 0.71798E-04 -0.53407E-04 3392 0.611E-02 6 F= -.48168108E+03 E0= -.48168108E+03 d E =-.401690E+02 N E dE d eps ncg rms rms(c) DAV: 1 -0.498177780761E+03 -0.16497E+02 -0.89406E+02 3136 0.689E+01 0.936E+00 DAV: 2 -0.500097582128E+03 -0.19198E+01 -0.25944E+01 3968 0.114E+01 0.507E+00 DAV: 3 -0.499796649773E+03 0.30093E+00 -0.54279E-01 3968 0.190E+00 0.261E+00 DAV: 4 -0.499708505541E+03 0.88144E-01 -0.30913E-01 3808 0.148E+00 0.580E-01 DAV: 5 -0.499709865369E+03 -0.13598E-02 -0.51248E-02 4032 0.563E-01 0.341E-01 DAV: 6 -0.499709461037E+03 0.40433E-03 -0.41630E-03 3744 0.158E-01 0.265E-01 DAV: 7 -0.499709203102E+03 0.25794E-03 -0.86483E-04 4032 0.897E-02 0.117E-01 DAV: 8 -0.499709211908E+03 -0.88063E-05 -0.48775E-04 3968 0.878E-02 7 F= -.49970921E+03 E0= -.49970921E+03 d E =-.581971E+02 N E dE d eps ncg rms rms(c) DAV: 1 -0.500610267171E+03 -0.90106E+00 -0.19636E+02 3520 0.330E+01 0.449E+00 DAV: 2 -0.501008499993E+03 -0.39823E+00 -0.55564E+00 4000 0.510E+00 0.260E+00 DAV: 3 -0.500922127760E+03 0.86372E-01 -0.13449E-01 3936 0.972E-01 0.127E+00 DAV: 4 -0.500901197859E+03 0.20930E-01 -0.71550E-02 3808 0.691E-01 0.328E-01 DAV: 5 -0.500901547248E+03 -0.34939E-03 -0.11516E-02 4032 0.255E-01 0.163E-01 DAV: 6 -0.500901345746E+03 0.20150E-03 -0.71596E-04 3616 0.641E-02 0.122E-01 DAV: 7 -0.500901272474E+03 0.73272E-04 -0.25923E-04 3680 0.473E-02 8 F= -.50090127E+03 E0= -.50090127E+03 d E =-.593892E+02 N E dE d eps ncg rms rms(c) DAV: 1 -0.501169029286E+03 -0.26768E+00 -0.22810E+01 3584 0.111E+01 0.175E+00 DAV: 2 -0.501212330795E+03 -0.43302E-01 -0.63036E-01 4000 0.171E+00 0.825E-01 DAV: 3 -0.501202418903E+03 0.99119E-02 -0.15384E-02 3936 0.331E-01 0.388E-01 DAV: 4 -0.501200362279E+03 0.20566E-02 -0.83833E-03 3840 0.237E-01 0.919E-02 DAV: 5 -0.501200429739E+03 -0.67460E-04 -0.12394E-03 4032 0.810E-02 0.574E-02 DAV: 6 -0.501200404861E+03 0.24878E-04 -0.44577E-05 2240 0.182E-02 9 F= -.50120040E+03 E0= -.50120040E+03 d E =-.596883E+02 N E dE d eps ncg rms rms(c) DAV: 1 -0.501205943459E+03 -0.55137E-02 -0.31097E-01 3520 0.129E+00 0.199E-01 DAV: 2 -0.501206539272E+03 -0.59581E-03 -0.84107E-03 4032 0.198E-01 0.974E-02 DAV: 3 -0.501206403612E+03 0.13566E-03 -0.19663E-04 2496 0.383E-02 0.455E-02 DAV: 4 -0.501206376073E+03 0.27539E-04 -0.13130E-04 2240 0.295E-02 10 F= -.50120638E+03 E0= -.50120638E+03 d E =-.596943E+02 N E dE d eps ncg rms rms(c) DAV: 1 -0.497885248162E+03 0.33212E+01 -0.13679E+03 3136 0.844E+01 0.167E+01 DAV: 2 -0.499154067240E+03 -0.12688E+01 -0.42398E+01 4000 0.142E+01 0.896E+00 DAV: 3 -0.498555267027E+03 0.59880E+00 -0.54085E+00 3808 0.536E+00 0.336E+00 DAV: 4 -0.498446245381E+03 0.10902E+00 -0.46913E-01 3840 0.180E+00 0.151E+00 DAV: 5 -0.498436972328E+03 0.92731E-02 -0.11454E-01 3840 0.806E-01 0.382E-01 DAV: 6 -0.498436658640E+03 0.31369E-03 -0.10900E-02 3808 0.273E-01 0.256E-01 DAV: 7 -0.498436865993E+03 -0.20735E-03 -0.52095E-03 3872 0.181E-01 0.133E-01 DAV: 8 -0.498436675079E+03 0.19091E-03 -0.89981E-04 4320 0.102E-01 0.579E-02 DAV: 9 -0.498436686673E+03 -0.11595E-04 -0.34023E-04 3584 0.471E-02 11 F= -.49843669E+03 E0= -.49843669E+03 d E =0.276969E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.503945938582E+03 -0.55093E+01 -0.47195E+02 3456 0.502E+01 0.116E+01 DAV: 2 -0.504023060854E+03 -0.77122E-01 -0.18418E+01 4032 0.962E+00 0.459E+00 DAV: 3 -0.503842018655E+03 0.18104E+00 -0.71619E-01 3840 0.207E+00 0.228E+00 DAV: 4 -0.503800613226E+03 0.41405E-01 -0.26062E-01 3904 0.125E+00 0.540E-01 DAV: 5 -0.503799966079E+03 0.64715E-03 -0.31967E-02 3904 0.477E-01 0.233E-01 DAV: 6 -0.503799862914E+03 0.10317E-03 -0.54473E-03 3936 0.178E-01 0.158E-01 DAV: 7 -0.503799836330E+03 0.26584E-04 -0.60904E-04 3872 0.736E-02 12 F= -.50379984E+03 E0= -.50379984E+03 d E =-.259346E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.505755561467E+03 -0.19557E+01 -0.53229E+02 3136 0.534E+01 0.901E+00 DAV: 2 -0.505386407040E+03 0.36915E+00 -0.10062E+01 4032 0.750E+00 0.332E+00 DAV: 3 -0.505241272655E+03 0.14513E+00 -0.55091E-01 3808 0.166E+00 0.156E+00 DAV: 4 -0.505217400673E+03 0.23872E-01 -0.90848E-02 3904 0.838E-01 0.652E-01 DAV: 5 -0.505216685351E+03 0.71532E-03 -0.17207E-02 3840 0.339E-01 0.228E-01 DAV: 6 -0.505216357031E+03 0.32832E-03 -0.21593E-03 3840 0.128E-01 0.128E-01 DAV: 7 -0.505216315195E+03 0.41835E-04 -0.88497E-04 3872 0.741E-02 13 F= -.50521632E+03 E0= -.50521632E+03 d E =-.141648E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.505299380839E+03 -0.83024E-01 -0.16283E+01 3264 0.933E+00 0.173E+00 DAV: 2 -0.505286534735E+03 0.12846E-01 -0.39747E-01 4032 0.141E+00 0.544E-01 DAV: 3 -0.505282437460E+03 0.40973E-02 -0.95503E-03 3872 0.264E-01 0.296E-01 DAV: 4 -0.505281549996E+03 0.88746E-03 -0.62233E-03 3840 0.209E-01 0.766E-02 DAV: 5 -0.505281589521E+03 -0.39525E-04 -0.75144E-04 3808 0.698E-02 14 F= -.50528159E+03 E0= -.50528159E+03 d E =-.148175E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.505054024852E+03 0.22753E+00 -0.12027E+02 3136 0.271E+01 0.842E+00 DAV: 2 -0.505209512487E+03 -0.15549E+00 -0.36725E+00 4032 0.443E+00 0.302E+00 DAV: 3 -0.505144324991E+03 0.65187E-01 -0.17880E-01 4000 0.133E+00 0.877E-01 DAV: 4 -0.505137420144E+03 0.69048E-02 -0.41696E-02 3904 0.592E-01 0.463E-01 DAV: 5 -0.505136281489E+03 0.11387E-02 -0.64699E-03 4000 0.233E-01 0.286E-01 DAV: 6 -0.505135105346E+03 0.11761E-02 -0.15060E-03 3808 0.180E-01 0.939E-02 DAV: 7 -0.505134629147E+03 0.47620E-03 -0.59882E-04 4128 0.126E-01 0.443E-02 DAV: 8 -0.505134531052E+03 0.98095E-04 -0.61220E-04 3872 0.784E-02 15 F= -.50513453E+03 E0= -.50513453E+03 d E =0.147058E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.505500383242E+03 -0.36575E+00 -0.38613E+01 3136 0.154E+01 0.378E+00 DAV: 2 -0.505552457524E+03 -0.52074E-01 -0.12851E+00 4000 0.259E+00 0.209E+00 DAV: 3 -0.505533904966E+03 0.18553E-01 -0.39589E-02 4032 0.615E-01 0.107E+00 DAV: 4 -0.505529204931E+03 0.47000E-02 -0.17779E-02 3840 0.420E-01 0.281E-01 DAV: 5 -0.505529181703E+03 0.23228E-04 -0.39286E-03 4032 0.177E-01 0.138E-01 DAV: 6 -0.505528976189E+03 0.20551E-03 -0.53413E-04 3840 0.730E-02 0.580E-02 DAV: 7 -0.505528874722E+03 0.10147E-03 -0.11688E-04 2720 0.532E-02 0.205E-02 DAV: 8 -0.505528853545E+03 0.21178E-04 -0.83161E-05 2336 0.324E-02 16 F= -.50552885E+03 E0= -.50552885E+03 d E =-.247264E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.505561018998E+03 -0.32144E-01 -0.14153E+01 3136 0.911E+00 0.294E+00 DAV: 2 -0.505584645677E+03 -0.23627E-01 -0.35290E-01 4000 0.138E+00 0.173E+00 DAV: 3 -0.505579285551E+03 0.53601E-02 -0.21053E-02 4000 0.427E-01 0.582E-01 DAV: 4 -0.505579036518E+03 0.24903E-03 -0.55327E-03 3840 0.189E-01 0.127E-01 DAV: 5 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1 -0.505664305111E+03 -0.13817E-01 -0.56813E+00 3136 0.572E+00 0.104E+00 DAV: 2 -0.505668905057E+03 -0.45999E-02 -0.11831E-01 4000 0.816E-01 0.574E-01 DAV: 3 -0.505666447442E+03 0.24576E-02 -0.84511E-03 3904 0.259E-01 0.225E-01 DAV: 4 -0.505666133573E+03 0.31387E-03 -0.16079E-03 4000 0.109E-01 0.824E-02 DAV: 5 -0.505666103344E+03 0.30229E-04 -0.19836E-04 3520 0.448E-02 20 F= -.50566610E+03 E0= -.50566610E+03 d E =-.822696E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.505703105070E+03 -0.36971E-01 -0.20950E+00 3264 0.346E+00 0.590E-01 DAV: 2 -0.505704605398E+03 -0.15003E-02 -0.43297E-02 4032 0.489E-01 0.339E-01 DAV: 3 -0.505703768734E+03 0.83666E-03 -0.14783E-03 4000 0.106E-01 0.164E-01 DAV: 4 -0.505703549970E+03 0.21876E-03 -0.60650E-04 4000 0.666E-02 0.529E-02 DAV: 5 -0.505703545197E+03 0.47730E-05 -0.91778E-05 2240 0.287E-02 21 F= -.50570355E+03 E0= -.50570355E+03 d E =-.374419E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.505777119969E+03 -0.73570E-01 -0.18817E+01 3136 0.104E+01 0.173E+00 DAV: 2 -0.505790147458E+03 -0.13027E-01 -0.38913E-01 4032 0.146E+00 0.100E+00 DAV: 3 -0.505782848764E+03 0.72987E-02 -0.12669E-02 3968 0.309E-01 0.504E-01 DAV: 4 -0.505780737585E+03 0.21112E-02 -0.55814E-03 4000 0.205E-01 0.159E-01 DAV: 5 -0.505780706503E+03 0.31082E-04 -0.10020E-03 3936 0.872E-02 0.737E-02 DAV: 6 -0.505780704874E+03 0.16289E-05 -0.11416E-04 2240 0.289E-02 22 F= -.50578070E+03 E0= -.50578070E+03 d E =-.114602E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.505764762536E+03 0.15944E-01 -0.75167E+01 3136 0.208E+01 0.337E+00 DAV: 2 -0.505815350147E+03 -0.50588E-01 -0.15723E+00 4032 0.294E+00 0.197E+00 DAV: 3 -0.505787139017E+03 0.28211E-01 -0.48488E-02 3904 0.601E-01 0.102E+00 DAV: 4 -0.505778224221E+03 0.89148E-02 -0.22870E-02 4000 0.418E-01 0.317E-01 DAV: 5 -0.505778158474E+03 0.65747E-04 -0.42566E-03 3872 0.177E-01 0.157E-01 DAV: 6 -0.505778148071E+03 0.10403E-04 -0.46544E-04 3584 0.557E-02 23 F= -.50577815E+03 E0= -.50577815E+03 d E =-.112045E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.505801937515E+03 -0.23779E-01 -0.19892E+01 3136 0.107E+01 0.177E+00 DAV: 2 -0.505815807119E+03 -0.13870E-01 -0.40907E-01 4032 0.150E+00 0.101E+00 DAV: 3 -0.505807466870E+03 0.83402E-02 -0.15595E-02 3904 0.339E-01 0.476E-01 DAV: 4 -0.505805503830E+03 0.19630E-02 -0.55276E-03 4032 0.202E-01 0.151E-01 DAV: 5 -0.505805422641E+03 0.81189E-04 -0.90797E-04 3936 0.865E-02 24 F= -.50580542E+03 E0= -.50580542E+03 d E =-.139319E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.505831856080E+03 -0.26352E-01 -0.49887E+00 3136 0.542E+00 0.101E+00 DAV: 2 -0.505836271025E+03 -0.44149E-02 -0.11910E-01 4032 0.816E-01 0.444E-01 DAV: 3 -0.505834325724E+03 0.19453E-02 -0.48055E-03 3968 0.189E-01 0.180E-01 DAV: 4 -0.505834059411E+03 0.26631E-03 -0.11578E-03 4032 0.943E-02 0.601E-02 DAV: 5 -0.505834045449E+03 0.13962E-04 -0.13909E-04 2432 0.398E-02 25 F= -.50583405E+03 E0= -.50583405E+03 d E =-.286228E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.505834795592E+03 -0.73618E-03 -0.19855E-01 3456 0.108E+00 0.204E-01 DAV: 2 -0.505835004808E+03 -0.20922E-03 -0.47894E-03 4032 0.163E-01 0.867E-02 DAV: 3 -0.505834923404E+03 0.81404E-04 -0.16957E-04 2688 0.385E-02 26 F= -.50583492E+03 E0= -.50583492E+03 d E =-.295008E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.505853157913E+03 -0.18153E-01 -0.14848E+00 3136 0.296E+00 0.631E-01 DAV: 2 -0.505852728956E+03 0.42896E-03 -0.28961E-02 4000 0.410E-01 0.256E-01 DAV: 3 -0.505852284415E+03 0.44454E-03 -0.22062E-03 3904 0.109E-01 0.120E-01 DAV: 4 -0.505852223408E+03 0.61006E-04 -0.28772E-04 3360 0.476E-02 27 F= -.50585222E+03 E0= -.50585222E+03 d E =-.173000E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.505878822131E+03 -0.26538E-01 -0.10421E+01 3136 0.784E+00 0.170E+00 DAV: 2 -0.505875275179E+03 0.35470E-02 -0.20549E-01 4000 0.109E+00 0.670E-01 DAV: 3 -0.505872231702E+03 0.30435E-02 -0.15360E-02 3936 0.288E-01 0.307E-01 DAV: 4 -0.505871799591E+03 0.43211E-03 -0.21145E-03 3936 0.128E-01 0.107E-01 DAV: 5 -0.505871783865E+03 0.15727E-04 -0.26992E-04 3328 0.539E-02 28 F= -.50587178E+03 E0= -.50587178E+03 d E =-.368605E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.505881702430E+03 -0.99028E-02 -0.21473E+00 3136 0.355E+00 0.638E-01 DAV: 2 -0.505882910550E+03 -0.12081E-02 -0.48245E-02 4000 0.521E-01 0.327E-01 DAV: 3 -0.505882014076E+03 0.89647E-03 -0.22676E-03 3872 0.139E-01 0.133E-01 DAV: 4 -0.505881868554E+03 0.14552E-03 -0.53638E-04 4000 0.688E-02 0.525E-02 DAV: 5 -0.505881859113E+03 0.94411E-05 -0.10138E-04 2368 0.336E-02 29 F= -.50588186E+03 E0= -.50588186E+03 d E =-.100752E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.505881888639E+03 -0.20085E-04 -0.60637E-03 3584 0.188E-01 0.362E-02 DAV: 2 -0.505881893046E+03 -0.44069E-05 -0.13893E-04 2656 0.284E-02 30 F= -.50588189E+03 E0= -.50588189E+03 d E =-.101092E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.505889935203E+03 -0.80466E-02 -0.16977E+00 3200 0.307E+00 0.500E-01 DAV: 2 -0.505890742471E+03 -0.80727E-03 -0.35098E-02 3904 0.447E-01 0.339E-01 DAV: 3 -0.505890260662E+03 0.48181E-03 -0.14690E-03 4000 0.991E-02 0.166E-01 DAV: 4 -0.505890126341E+03 0.13432E-03 -0.49027E-04 3808 0.595E-02 0.578E-02 DAV: 5 -0.505890121453E+03 0.48879E-05 -0.81729E-05 2464 0.323E-02 31 F= -.50589012E+03 E0= -.50589012E+03 d E =-.822841E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505891505919E+03 -0.13796E-02 -0.65961E-01 3200 0.192E+00 0.312E-01 DAV: 2 -0.505891892220E+03 -0.38630E-03 -0.13758E-02 3904 0.278E-01 0.208E-01 DAV: 3 -0.505891708837E+03 0.18338E-03 -0.53630E-04 4000 0.604E-02 0.102E-01 DAV: 4 -0.505891655140E+03 0.53697E-04 -0.16590E-04 2784 0.369E-02 32 F= -.50589166E+03 E0= -.50589166E+03 d E =-.976209E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505897314352E+03 -0.56055E-02 -0.22428E+00 3200 0.353E+00 0.748E-01 DAV: 2 -0.505898556344E+03 -0.12420E-02 -0.45441E-02 4032 0.493E-01 0.258E-01 DAV: 3 -0.505897855272E+03 0.70107E-03 -0.23054E-03 3840 0.117E-01 0.132E-01 DAV: 4 -0.505897722498E+03 0.13277E-03 -0.42777E-04 3872 0.636E-02 0.507E-02 DAV: 5 -0.505897714546E+03 0.79518E-05 -0.86770E-05 2240 0.307E-02 33 F= -.50589771E+03 E0= -.50589771E+03 d E =-.605941E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505897742409E+03 -0.19911E-04 -0.10463E-02 3584 0.241E-01 0.562E-02 DAV: 2 -0.505897750972E+03 -0.85626E-05 -0.21884E-04 3008 0.340E-02 34 F= -.50589775E+03 E0= -.50589775E+03 d E =-.609583E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505900601554E+03 -0.28591E-02 -0.68958E-01 3200 0.199E+00 0.442E-01 DAV: 2 -0.505901105191E+03 -0.50364E-03 -0.13816E-02 4032 0.278E-01 0.240E-01 DAV: 3 -0.505900933077E+03 0.17211E-03 -0.97603E-04 3840 0.785E-02 0.868E-02 DAV: 4 -0.505900911075E+03 0.22002E-04 -0.16065E-04 2656 0.354E-02 35 F= -.50590091E+03 E0= -.50590091E+03 d E =-.316010E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505900975311E+03 -0.42234E-04 -0.16567E-02 3584 0.308E-01 0.660E-02 DAV: 2 -0.505900988497E+03 -0.13185E-04 -0.32657E-04 3712 0.435E-02 36 F= -.50590099E+03 E0= -.50590099E+03 d E =-.323752E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505903508568E+03 -0.25333E-02 -0.68117E-01 3136 0.199E+00 0.210E-01 DAV: 2 -0.505904472663E+03 -0.96410E-03 -0.12496E-02 3936 0.262E-01 0.109E-01 DAV: 3 -0.505904342470E+03 0.13019E-03 -0.24125E-04 3392 0.443E-02 0.588E-02 DAV: 4 -0.505904313725E+03 0.28744E-04 -0.16253E-04 2688 0.352E-02 37 F= -.50590431E+03 E0= -.50590431E+03 d E =-.332523E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505904726062E+03 -0.38359E-03 -0.42556E-01 3136 0.157E+00 0.167E-01 DAV: 2 -0.505905342636E+03 -0.61657E-03 -0.79062E-03 3936 0.208E-01 0.846E-02 DAV: 3 -0.505905265977E+03 0.76659E-04 -0.14627E-04 2688 0.351E-02 38 F= -.50590527E+03 E0= -.50590527E+03 d E =-.427748E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505907426209E+03 -0.20836E-02 -0.26068E-01 3136 0.124E+00 0.167E-01 DAV: 2 -0.505907807917E+03 -0.38171E-03 -0.48225E-03 4000 0.166E-01 0.104E-01 DAV: 3 -0.505907764750E+03 0.43167E-04 -0.98001E-05 2464 0.295E-02 39 F= -.50590776E+03 E0= -.50590776E+03 d E =-.249877E-02 N E dE d eps ncg rms rms(c) DAV: 1 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-.50591367E+03 E0= -.50591367E+03 d E =-.320234E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505913606146E+03 0.81766E-04 -0.25686E-01 3200 0.124E+00 0.152E-01 DAV: 2 -0.505913965655E+03 -0.35951E-03 -0.45779E-03 3968 0.160E-01 0.751E-02 DAV: 3 -0.505913920399E+03 0.45256E-04 -0.70981E-05 2304 0.266E-02 43 F= -.50591392E+03 E0= -.50591392E+03 d E =-.345772E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505916790991E+03 -0.28253E-02 -0.63780E-01 3200 0.193E+00 0.256E-01 DAV: 2 -0.505917726984E+03 -0.93599E-03 -0.12324E-02 4000 0.263E-01 0.162E-01 DAV: 3 -0.505917596240E+03 0.13074E-03 -0.21315E-04 2880 0.465E-02 0.871E-02 DAV: 4 -0.505917572881E+03 0.23359E-04 -0.23546E-04 3360 0.413E-02 44 F= -.50591757E+03 E0= -.50591757E+03 d E =-.365248E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505918316746E+03 -0.72051E-03 -0.10524E+00 3136 0.248E+00 0.337E-01 DAV: 2 -0.505919870943E+03 -0.15542E-02 -0.20019E-02 4032 0.334E-01 0.210E-01 DAV: 3 -0.505919682171E+03 0.18877E-03 -0.36861E-04 3776 0.593E-02 0.112E-01 DAV: 4 -0.505919654173E+03 0.27998E-04 -0.30464E-04 3648 0.479E-02 45 F= -.50591965E+03 E0= -.50591965E+03 d E =-.573377E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505922323765E+03 -0.26416E-02 -0.64136E-01 3200 0.193E+00 0.230E-01 DAV: 2 -0.505923164883E+03 -0.84112E-03 -0.12169E-02 4032 0.261E-01 0.126E-01 DAV: 3 -0.505923083295E+03 0.81588E-04 -0.24145E-04 3264 0.445E-02 46 F= -.50592308E+03 E0= -.50592308E+03 d E =-.342912E-02