N E dE d eps ncg rms rms(c) DAV: 1 0.393116607771E+04 0.39312E+04 -0.27772E+05 4557 0.134E+03 DAV: 2 -0.418835807894E+03 -0.43500E+04 -0.42283E+04 5704 0.336E+02 DAV: 3 -0.744083620336E+03 -0.32525E+03 -0.32362E+03 5735 0.967E+01 DAV: 4 -0.751029925218E+03 -0.69463E+01 -0.69239E+01 6479 0.140E+01 DAV: 5 -0.751423729712E+03 -0.39380E+00 -0.39366E+00 7006 0.215E+00 0.133E+02 DAV: 6 -0.673406915692E+03 0.78017E+02 -0.29615E+02 5363 0.276E+01 0.684E+01 DAV: 7 -0.673578381790E+03 -0.17147E+00 -0.21234E+01 5425 0.724E+00 0.177E+01 DAV: 8 -0.673398748539E+03 0.17963E+00 -0.14315E+00 6076 0.232E+00 0.352E+00 DAV: 9 -0.673402606884E+03 -0.38583E-02 -0.19129E-01 5518 0.910E-01 0.105E+00 DAV: 10 -0.673412223567E+03 -0.96167E-02 -0.50561E-02 5797 0.507E-01 0.497E-01 DAV: 11 -0.673414133833E+03 -0.19103E-02 -0.10402E-02 5425 0.229E-01 0.249E-01 DAV: 12 -0.673414413048E+03 -0.27921E-03 -0.55238E-03 5208 0.177E-01 0.104E-01 DAV: 13 -0.673414462481E+03 -0.49434E-04 -0.15286E-03 5704 0.808E-02 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0.168E-02 0.176E-02 DAV: 11 -0.672192545052E+03 -0.50096E-06 -0.90371E-06 3658 0.592E-03 2 F= -.67219255E+03 E0= -.67219255E+03 d E =0.122191E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.674875382402E+03 -0.26828E+01 -0.19015E+02 4464 0.256E+01 0.148E+01 DAV: 2 -0.674335742025E+03 0.53964E+00 -0.70290E+00 5580 0.485E+00 0.552E+00 DAV: 3 -0.674211035444E+03 0.12471E+00 -0.75200E-01 5425 0.157E+00 0.228E+00 DAV: 4 -0.674191041113E+03 0.19994E-01 -0.13318E-01 5766 0.679E-01 0.803E-01 DAV: 5 -0.674190729418E+03 0.31170E-03 -0.11569E-02 5921 0.227E-01 0.264E-01 DAV: 6 -0.674190626869E+03 0.10255E-03 -0.24230E-03 6045 0.974E-02 0.137E-01 DAV: 7 -0.674190559048E+03 0.67821E-04 -0.29406E-04 6045 0.382E-02 0.663E-02 DAV: 8 -0.674190526706E+03 0.32342E-04 -0.19969E-04 5766 0.381E-02 0.209E-02 DAV: 9 -0.674190526378E+03 0.32825E-06 -0.79799E-05 6107 0.223E-02 3 F= -.67419053E+03 E0= -.67419053E+03 d E =-.776069E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.676647299646E+03 -0.24568E+01 -0.16402E+02 4588 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0.391E-01 0.512E-01 DAV: 4 -0.674811786910E+03 0.10879E-02 -0.85811E-03 5797 0.163E-01 0.268E-01 DAV: 5 -0.674811869098E+03 -0.82188E-04 -0.99857E-04 6479 0.566E-02 0.943E-02 DAV: 6 -0.674811899544E+03 -0.30445E-04 -0.17356E-04 5456 0.254E-02 0.396E-02 DAV: 7 -0.674811930031E+03 -0.30488E-04 -0.36542E-05 5301 0.121E-02 0.122E-02 DAV: 8 -0.674811937622E+03 -0.75908E-05 -0.66812E-06 3782 0.750E-03 5 F= -.67481194E+03 E0= -.67481194E+03 d E =-.621411E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.676123577304E+03 -0.13116E+01 -0.17639E+02 4464 0.246E+01 0.957E+00 DAV: 2 -0.675345929250E+03 0.77765E+00 -0.60446E+00 5580 0.433E+00 0.517E+00 DAV: 3 -0.675190228460E+03 0.15570E+00 -0.44894E-01 5580 0.123E+00 0.210E+00 DAV: 4 -0.675173873782E+03 0.16355E-01 -0.11293E-01 5766 0.585E-01 0.790E-01 DAV: 5 -0.675173550499E+03 0.32328E-03 -0.10792E-02 5890 0.205E-01 0.574E-01 DAV: 6 -0.675173538889E+03 0.11610E-04 -0.21029E-03 7006 0.855E-02 0.170E-01 DAV: 7 -0.675173405386E+03 0.13350E-03 -0.37201E-04 5766 0.445E-02 0.526E-02 DAV: 8 -0.675173383346E+03 0.22040E-04 -0.11787E-04 5952 0.214E-02 0.239E-02 DAV: 9 -0.675173373419E+03 0.99277E-05 -0.21709E-05 4743 0.126E-02 6 F= -.67517337E+03 E0= -.67517337E+03 d E =-.361436E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.675267773533E+03 -0.94390E-01 -0.10001E+01 4526 0.585E+00 0.218E+00 DAV: 2 -0.675222992023E+03 0.44782E-01 -0.38520E-01 5580 0.107E+00 0.135E+00 DAV: 3 -0.675215216296E+03 0.77757E-02 -0.18636E-02 5580 0.256E-01 0.724E-01 DAV: 4 -0.675213456512E+03 0.17598E-02 -0.90349E-03 5766 0.171E-01 0.239E-01 DAV: 5 -0.675213512822E+03 -0.56311E-04 -0.10609E-03 5642 0.606E-02 0.208E-01 DAV: 6 -0.675213539950E+03 -0.27128E-04 -0.13539E-04 6758 0.182E-02 0.108E-01 DAV: 7 -0.675213559076E+03 -0.19125E-04 -0.52449E-05 5115 0.160E-02 0.135E-02 DAV: 8 -0.675213562521E+03 -0.34456E-05 -0.24169E-05 4681 0.915E-03 7 F= -.67521356E+03 E0= -.67521356E+03 d E =-.401625E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.675400196670E+03 -0.18664E+00 -0.28603E+01 4464 0.968E+00 0.369E+00 DAV: 2 -0.675353139278E+03 0.47057E-01 -0.96447E-01 5580 0.170E+00 0.206E+00 DAV: 3 -0.675333731414E+03 0.19408E-01 -0.51850E-02 5580 0.440E-01 0.917E-01 DAV: 4 -0.675330696591E+03 0.30348E-02 -0.16333E-02 5766 0.244E-01 0.317E-01 DAV: 5 -0.675330509733E+03 0.18686E-03 -0.20104E-03 5735 0.102E-01 0.162E-01 DAV: 6 -0.675330395487E+03 0.11425E-03 -0.43878E-04 5766 0.441E-02 0.570E-02 DAV: 7 -0.675330344933E+03 0.50554E-04 -0.79913E-05 5549 0.203E-02 0.248E-02 DAV: 8 -0.675330339748E+03 0.51847E-05 -0.16334E-05 4309 0.956E-03 8 F= -.67533034E+03 E0= -.67533034E+03 d E =-.116777E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.675332201206E+03 -0.18563E-02 -0.24633E-01 4712 0.896E-01 0.330E-01 DAV: 2 -0.675331791841E+03 0.40937E-03 -0.86299E-03 5580 0.160E-01 0.197E-01 DAV: 3 -0.675331636193E+03 0.15565E-03 -0.38328E-04 5580 0.378E-02 0.101E-01 DAV: 4 -0.675331611847E+03 0.24346E-04 -0.16560E-04 5766 0.244E-02 0.333E-02 DAV: 5 -0.675331616883E+03 -0.50355E-05 -0.20379E-05 4557 0.980E-03 9 F= -.67533162E+03 E0= -.67533162E+03 d E =-.118054E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.675479382338E+03 -0.14777E+00 -0.10372E+01 4464 0.576E+00 0.189E+00 DAV: 2 -0.675456018664E+03 0.23364E-01 -0.28564E-01 5580 0.926E-01 0.592E-01 DAV: 3 -0.675450431888E+03 0.55868E-02 -0.19165E-02 5549 0.247E-01 0.270E-01 DAV: 4 -0.675449800568E+03 0.63132E-03 -0.32880E-03 5766 0.105E-01 0.152E-01 DAV: 5 -0.675449746551E+03 0.54018E-04 -0.39949E-04 6014 0.400E-02 0.732E-02 DAV: 6 -0.675449728181E+03 0.18370E-04 -0.67113E-05 6138 0.164E-02 0.348E-02 DAV: 7 -0.675449711890E+03 0.16291E-04 -0.15537E-05 4185 0.107E-02 0.114E-02 DAV: 8 -0.675449706592E+03 0.52977E-05 -0.59378E-06 3720 0.662E-03 10 F= -.67544971E+03 E0= -.67544971E+03 d E =-.118090E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.675868064410E+03 -0.41835E+00 -0.93263E+01 4464 0.172E+01 0.556E+00 DAV: 2 -0.675667927670E+03 0.20014E+00 -0.24865E+00 5580 0.273E+00 0.179E+00 DAV: 3 -0.675616537948E+03 0.51390E-01 -0.18216E-01 5518 0.749E-01 0.808E-01 DAV: 4 -0.675611309094E+03 0.52289E-02 -0.27374E-02 5766 0.300E-01 0.479E-01 DAV: 5 -0.675611008480E+03 0.30061E-03 -0.36737E-03 5983 0.120E-01 0.216E-01 DAV: 6 -0.675610988798E+03 0.19682E-04 -0.64438E-04 6417 0.495E-02 0.104E-01 DAV: 7 -0.675610940146E+03 0.48651E-04 -0.16995E-04 6386 0.317E-02 0.368E-02 DAV: 8 -0.675610918338E+03 0.21808E-04 -0.43886E-05 5332 0.180E-02 0.142E-02 DAV: 9 -0.675610909276E+03 0.90623E-05 -0.11928E-05 3813 0.949E-03 11 F= -.67561091E+03 E0= -.67561091E+03 d E =-.279292E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.675726643518E+03 -0.11573E+00 -0.19314E+01 4464 0.746E+00 0.246E+00 DAV: 2 -0.675725725244E+03 0.91827E-03 -0.48573E-01 5580 0.117E+00 0.995E-01 DAV: 3 -0.675717029691E+03 0.86956E-02 -0.24384E-02 5518 0.294E-01 0.546E-01 DAV: 4 -0.675715283967E+03 0.17457E-02 -0.65271E-03 5766 0.167E-01 0.198E-01 DAV: 5 -0.675715186819E+03 0.97148E-04 -0.10347E-03 5828 0.675E-02 0.724E-02 DAV: 6 -0.675715137165E+03 0.49654E-04 -0.19637E-04 5642 0.286E-02 0.340E-02 DAV: 7 -0.675715105277E+03 0.31888E-04 -0.48055E-05 5518 0.165E-02 0.134E-02 DAV: 8 -0.675715095771E+03 0.95060E-05 -0.11982E-05 4154 0.108E-02 12 F= -.67571510E+03 E0= -.67571510E+03 d E =-.104186E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.675726659020E+03 -0.11554E-01 -0.32071E+00 4464 0.305E+00 0.101E+00 DAV: 2 -0.675726498786E+03 0.16023E-03 -0.81503E-02 5580 0.482E-01 0.395E-01 DAV: 3 -0.675725052235E+03 0.14466E-02 -0.40267E-03 5518 0.120E-01 0.209E-01 DAV: 4 -0.675724746653E+03 0.30558E-03 -0.10586E-03 5766 0.684E-02 0.780E-02 DAV: 5 -0.675724719831E+03 0.26822E-04 -0.18021E-04 5766 0.284E-02 0.294E-02 DAV: 6 -0.675724707250E+03 0.12582E-04 -0.32725E-05 5053 0.117E-02 0.133E-02 DAV: 7 -0.675724699018E+03 0.82317E-05 -0.71462E-06 3720 0.694E-03 13 F= -.67572470E+03 E0= -.67572470E+03 d E =-.113790E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.675783079067E+03 -0.58372E-01 -0.67043E+00 4464 0.449E+00 0.823E-01 DAV: 2 -0.675791273516E+03 -0.81944E-02 -0.14712E-01 5580 0.672E-01 0.460E-01 DAV: 3 -0.675789760689E+03 0.15128E-02 -0.54620E-03 5766 0.142E-01 0.256E-01 DAV: 4 -0.675789250004E+03 0.51068E-03 -0.18502E-03 5394 0.894E-02 0.892E-02 DAV: 5 -0.675789203762E+03 0.46242E-04 -0.28395E-04 5983 0.472E-02 0.320E-02 DAV: 6 -0.675789212893E+03 -0.91307E-05 -0.11783E-04 5363 0.201E-02 0.263E-02 DAV: 7 -0.675789210703E+03 0.21894E-05 -0.76915E-06 3348 0.660E-03 14 F= -.67578921E+03 E0= -.67578921E+03 d E =-.645117E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.675818218988E+03 -0.29006E-01 -0.39673E+01 4464 0.109E+01 0.199E+00 DAV: 2 -0.675867015788E+03 -0.48797E-01 -0.87839E-01 5580 0.164E+00 0.112E+00 DAV: 3 -0.675858041557E+03 0.89742E-02 -0.31587E-02 5766 0.343E-01 0.631E-01 DAV: 4 -0.675854884620E+03 0.31569E-02 -0.11042E-02 5394 0.217E-01 0.220E-01 DAV: 5 -0.675854593859E+03 0.29076E-03 -0.17398E-03 5983 0.116E-01 0.779E-02 DAV: 6 -0.675854639808E+03 -0.45949E-04 -0.70719E-04 5735 0.492E-02 0.649E-02 DAV: 7 -0.675854624192E+03 0.15616E-04 -0.52764E-05 5518 0.159E-02 0.440E-02 DAV: 8 -0.675854620491E+03 0.37012E-05 -0.25526E-05 5022 0.110E-02 15 F= -.67585462E+03 E0= -.67585462E+03 d E =-.129921E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.675903107464E+03 -0.48483E-01 -0.43065E+00 4464 0.364E+00 0.952E-01 DAV: 2 -0.675907324802E+03 -0.42173E-02 -0.10096E-01 5580 0.552E-01 0.374E-01 DAV: 3 -0.675905927895E+03 0.13969E-02 -0.40725E-03 5766 0.129E-01 0.199E-01 DAV: 4 -0.675905620396E+03 0.30750E-03 -0.11793E-03 5611 0.758E-02 0.729E-02 DAV: 5 -0.675905621410E+03 -0.10134E-05 -0.20946E-04 5673 0.313E-02 0.343E-02 DAV: 6 -0.675905628152E+03 -0.67428E-05 -0.56828E-05 5363 0.146E-02 16 F= -.67590563E+03 E0= -.67590563E+03 d E =-.510077E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.675944028890E+03 -0.38407E-01 -0.29357E+01 4464 0.951E+00 0.253E+00 DAV: 2 -0.675972900049E+03 -0.28871E-01 -0.69633E-01 5580 0.145E+00 0.979E-01 DAV: 3 -0.675963439243E+03 0.94608E-02 -0.27464E-02 5766 0.336E-01 0.517E-01 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DAV: 6 -0.676830764671E+03 0.17667E-05 -0.39017E-05 5239 0.115E-02 188 F= -.67683076E+03 E0= -.67683076E+03 d E =-.687965E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.676810954547E+03 0.19812E-01 -0.14209E+01 4464 0.601E+00 0.964E-01 DAV: 2 -0.676839814243E+03 -0.28860E-01 -0.33089E-01 5053 0.888E-01 0.500E-01 DAV: 3 -0.676838341232E+03 0.14730E-02 -0.50516E-03 5766 0.129E-01 0.322E-01 DAV: 4 -0.676837998377E+03 0.34285E-03 -0.41538E-03 5394 0.119E-01 0.864E-02 DAV: 5 -0.676838045932E+03 -0.47554E-04 -0.73399E-04 5518 0.501E-02 0.529E-02 DAV: 6 -0.676838040609E+03 0.53224E-05 -0.13741E-04 5394 0.217E-02 0.312E-02 DAV: 7 -0.676838031518E+03 0.90912E-05 -0.20380E-05 5022 0.988E-03 189 F= -.67683803E+03 E0= -.67683803E+03 d E =-.141465E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.676833579631E+03 0.44610E-02 -0.26560E+00 4464 0.260E+00 0.418E-01 DAV: 2 -0.676839027267E+03 -0.54476E-02 -0.62562E-02 5146 0.386E-01 0.216E-01 DAV: 3 -0.676838746787E+03 0.28048E-03 -0.95836E-04 5766 0.564E-02 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4464 0.542E-01 0.963E-02 DAV: 2 -0.676992215259E+03 -0.18543E-03 -0.20438E-03 5580 0.772E-02 0.483E-02 DAV: 3 -0.676992204817E+03 0.10442E-04 -0.30906E-05 5363 0.120E-02 0.286E-02 DAV: 4 -0.676992203096E+03 0.17208E-05 -0.23662E-05 4495 0.100E-02 252 F= -.67699220E+03 E0= -.67699220E+03 d E =-.116879E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.676992128594E+03 0.76223E-04 -0.45988E-01 4464 0.118E+00 0.189E-01 DAV: 2 -0.676993021194E+03 -0.89260E-03 -0.10086E-02 5487 0.172E-01 0.957E-02 DAV: 3 -0.676992964107E+03 0.57087E-04 -0.17402E-04 5921 0.285E-02 0.527E-02 DAV: 4 -0.676992950171E+03 0.13936E-04 -0.10340E-04 5518 0.209E-02 0.151E-02 DAV: 5 -0.676992950638E+03 -0.46683E-06 -0.18374E-05 4712 0.106E-02 253 F= -.67699295E+03 E0= -.67699295E+03 d E =-.747542E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.676992907687E+03 0.42483E-04 -0.48903E-02 4464 0.386E-01 0.632E-02 DAV: 2 -0.676993003863E+03 -0.96176E-04 -0.10874E-03 5518 0.563E-02 0.308E-02 DAV: 3 -0.676992997702E+03 0.61607E-05 -0.16363E-05 4216 0.934E-03 254 F= -.67699300E+03 E0= -.67699300E+03 d E =-.794606E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.676993014558E+03 -0.10695E-04 -0.38947E-01 4464 0.109E+00 0.201E-01 DAV: 2 -0.676993769747E+03 -0.75519E-03 -0.85274E-03 5456 0.157E-01 0.103E-01 DAV: 3 -0.676993726197E+03 0.43550E-04 -0.14298E-04 5983 0.250E-02 0.596E-02 DAV: 4 -0.676993720478E+03 0.57186E-05 -0.94583E-05 5270 0.197E-02 255 F= -.67699372E+03 E0= -.67699372E+03 d E =-.722776E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.676993754623E+03 -0.28426E-04 -0.13297E-02 4588 0.201E-01 0.406E-02 DAV: 2 -0.676993780266E+03 -0.25643E-04 -0.30134E-04 5580 0.297E-02 0.209E-02 DAV: 3 -0.676993779083E+03 0.11825E-05 -0.49326E-06 3317 0.521E-03 256 F= -.67699378E+03 E0= -.67699378E+03 d E =-.781381E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.676993736210E+03 0.44056E-04 -0.52001E-02 4464 0.398E-01 0.743E-02 DAV: 2 -0.676993835714E+03 -0.99504E-04 -0.11342E-03 5549 0.575E-02 0.385E-02 DAV: 3 -0.676993829965E+03 0.57484E-05 -0.18339E-05 4247 0.921E-03 257 F= -.67699383E+03 E0= -.67699383E+03 d E =-.832263E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.676993878233E+03 -0.42519E-04 -0.35705E-01 4464 0.104E+00 0.175E-01 DAV: 2 -0.676994557980E+03 -0.67975E-03 -0.77993E-03 5394 0.149E-01 0.752E-02 DAV: 3 -0.676994514967E+03 0.43013E-04 -0.13073E-04 5983 0.239E-02 0.436E-02 DAV: 4 -0.676994507019E+03 0.79487E-05 -0.83880E-05 5456 0.191E-02 258 F= -.67699451E+03 E0= -.67699451E+03 d E =-.677053E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.676994547579E+03 -0.32611E-04 -0.19696E-02 4526 0.243E-01 0.446E-02 DAV: 2 -0.676994585174E+03 -0.37596E-04 -0.44099E-04 5394 0.355E-02 0.185E-02 DAV: 3 -0.676994583045E+03 0.21296E-05 -0.68661E-06 3627 0.617E-03 259 F= -.67699458E+03 E0= -.67699458E+03 d E =-.753080E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.676994501034E+03 0.84141E-04 -0.77287E-02 4464 0.482E-01 0.820E-02 DAV: 2 -0.676994646676E+03 -0.14564E-03 -0.16796E-03 5394 0.691E-02 0.352E-02 DAV: 3 -0.676994637506E+03 0.91700E-05 -0.28129E-05 5301 0.111E-02 260 F= -.67699464E+03 E0= -.67699464E+03 d E =-.807541E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.676994691230E+03 -0.44554E-04 -0.31921E-01 4464 0.970E-01 0.188E-01 DAV: 2 -0.676995285730E+03 -0.59450E-03 -0.71148E-03 5394 0.142E-01 0.848E-02 DAV: 3 -0.676995244460E+03 0.41270E-04 -0.13185E-04 5952 0.243E-02 0.480E-02 DAV: 4 -0.676995239610E+03 0.48505E-05 -0.79717E-05 5425 0.183E-02 261 F= -.67699524E+03 E0= -.67699524E+03 d E =-.602104E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.676995282549E+03 -0.38088E-04 -0.20951E-02 4464 0.248E-01 0.511E-02 DAV: 2 -0.676995322912E+03 -0.40363E-04 -0.48330E-04 5394 0.370E-02 0.226E-02 DAV: 3 -0.676995320514E+03 0.23976E-05 -0.78538E-06 3627 0.681E-03 262 F= -.67699532E+03 E0= -.67699532E+03 d E =-.683008E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.676995249901E+03 0.73011E-04 -0.82242E-02 4464 0.492E-01 0.963E-02 DAV: 2 -0.676995402742E+03 -0.15284E-03 -0.18347E-03 5394 0.721E-02 0.438E-02 DAV: 3 -0.676995392316E+03 0.10426E-04 -0.34292E-05 5425 0.123E-02 0.247E-02 DAV: 4 -0.676995391278E+03 0.10376E-05 -0.20310E-05 4619 0.948E-03 263 F= -.67699539E+03 E0= -.67699539E+03 d E =-.753772E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.676995428927E+03 -0.36611E-04 -0.32578E-01 4464 0.966E-01 0.160E-01 DAV: 2 -0.676996049731E+03 -0.62080E-03 -0.74759E-03 5394 0.145E-01 0.797E-02 DAV: 3 -0.676996011241E+03 0.38490E-04 -0.14348E-04 5859 0.245E-02 0.458E-02 DAV: 4 -0.676996004040E+03 0.72009E-05 -0.70367E-05 5394 0.164E-02 264 F= -.67699600E+03 E0= -.67699600E+03 d E =-.612761E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.676996034639E+03 -0.23399E-04 -0.16996E-02 4464 0.220E-01 0.402E-02 DAV: 2 -0.676996065700E+03 -0.31061E-04 -0.38775E-04 5487 0.333E-02 0.201E-02 DAV: 3 -0.676996064072E+03 0.16285E-05 -0.78477E-06 3379 0.627E-03 265 F= -.67699606E+03 E0= -.67699606E+03 d E =-.672793E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.676995970158E+03 0.95543E-04 -0.67539E-02 4464 0.440E-01 0.744E-02 DAV: 2 -0.676996094232E+03 -0.12407E-03 -0.15207E-03 5425 0.655E-02 0.376E-02 DAV: 3 -0.676996086378E+03 0.78535E-05 -0.30739E-05 5332 0.113E-02 266 F= -.67699609E+03 E0= -.67699609E+03 d E =-.695100E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.676996115998E+03 -0.21766E-04 -0.29339E-01 4464 0.922E-01 0.175E-01 DAV: 2 -0.676996662670E+03 -0.54667E-03 -0.64723E-03 5394 0.133E-01 0.829E-02 DAV: 3 -0.676996625957E+03 0.36712E-04 -0.98371E-05 5952 0.207E-02 0.481E-02 DAV: 4 -0.676996620750E+03 0.52072E-05 -0.80243E-05 5580 0.183E-02 267 F= -.67699662E+03 E0= -.67699662E+03 d E =-.534372E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.676996677205E+03 -0.51248E-04 -0.31098E-02 4464 0.300E-01 0.605E-02 DAV: 2 -0.676996736335E+03 -0.59130E-04 -0.70897E-04 5394 0.440E-02 0.276E-02 DAV: 3 -0.676996732937E+03 0.33981E-05 -0.97848E-06 3937 0.709E-03 268 F= -.67699673E+03 E0= -.67699673E+03 d E =-.646559E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.676996653926E+03 0.82409E-04 -0.12192E-01 4464 0.594E-01 0.113E-01 DAV: 2 -0.676996880095E+03 -0.22617E-03 -0.26853E-03 5394 0.858E-02 0.528E-02 DAV: 3 -0.676996865319E+03 0.14776E-04 -0.40865E-05 5673 0.133E-02 0.304E-02 DAV: 4 -0.676996863033E+03 0.22863E-05 -0.31067E-05 5146 0.116E-02 269 F= -.67699686E+03 E0= -.67699686E+03 d E =-.776654E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.676997090396E+03 -0.22508E-03 -0.21138E-01 4464 0.788E-01 0.150E-01 DAV: 2 -0.676997488746E+03 -0.39835E-03 -0.49954E-03 5580 0.120E-01 0.677E-02 DAV: 3 -0.676997453943E+03 0.34804E-04 -0.12400E-04 5735 0.229E-02 0.363E-02 DAV: 4 -0.676997446812E+03 0.71306E-05 -0.46167E-05 5425 0.137E-02 270 F= -.67699745E+03 E0= -.67699745E+03 d E =-.583780E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.676997464294E+03 -0.10351E-04 -0.49933E-03 4836 0.121E-01 0.260E-02 DAV: 2 -0.676997472415E+03 -0.81213E-05 -0.11505E-04 5580 0.184E-02 0.118E-02 DAV: 3 -0.676997471811E+03 0.60425E-06 -0.35626E-06 3007 0.403E-03 271 F= -.67699747E+03 E0= -.67699747E+03 d E =-.608779E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.676997432606E+03 0.39810E-04 -0.19891E-02 4464 0.242E-01 0.468E-02 DAV: 2 -0.676997468550E+03 -0.35945E-04 -0.46107E-04 5580 0.364E-02 0.216E-02 DAV: 3 -0.676997465085E+03 0.34654E-05 -0.11418E-05 4340 0.721E-03 272 F= -.67699747E+03 E0= -.67699747E+03 d E =-.602052E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.676997464281E+03 0.42698E-05 -0.62177E-03 4464 0.136E-01 0.242E-02 DAV: 2 -0.676997478452E+03 -0.14171E-04 -0.16005E-04 5394 0.212E-02 0.103E-02 DAV: 3 -0.676997477444E+03 0.10084E-05 -0.27183E-06 2790 0.359E-03 273 F= -.67699748E+03 E0= -.67699748E+03 d E =-.614411E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.676997626857E+03 -0.14840E-03 -0.10707E-01 4464 0.565E-01 0.123E-01 DAV: 2 -0.676997832476E+03 -0.20562E-03 -0.25581E-03 5580 0.856E-02 0.554E-02 DAV: 3 -0.676997815483E+03 0.16993E-04 -0.49524E-05 5580 0.148E-02 0.309E-02 DAV: 4 -0.676997812241E+03 0.32418E-05 -0.28325E-05 4805 0.110E-02 274 F= -.67699781E+03 E0= -.67699781E+03 d E =-.334797E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.676997795285E+03 0.20198E-04 -0.96201E-02 4464 0.535E-01 0.120E-01 DAV: 2 -0.676997975831E+03 -0.18055E-03 -0.22787E-03 5580 0.810E-02 0.538E-02 DAV: 3 -0.676997961773E+03 0.14058E-04 -0.46489E-05 5580 0.143E-02 0.292E-02 DAV: 4 -0.676997959820E+03 0.19535E-05 -0.24676E-05 4464 0.104E-02 275 F= -.67699796E+03 E0= -.67699796E+03 d E =-.482376E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.676998176873E+03 -0.21510E-03 -0.10642E-01 4464 0.562E-01 0.113E-01 DAV: 2 -0.676998386955E+03 -0.21008E-03 -0.26148E-03 5518 0.869E-02 0.496E-02 DAV: 3 -0.676998369485E+03 0.17470E-04 -0.61550E-05 5549 0.170E-02 0.265E-02 DAV: 4 -0.676998365578E+03 0.39071E-05 -0.21950E-05 4619 0.103E-02 276 F= -.67699837E+03 E0= -.67699837E+03 d E =-.405759E-03