N E dE d eps ncg rms rms(c)
DAV: 1 0.797824993922E+03 0.79782E+03 -0.48683E+04 760 0.101E+03
DAV: 2 -0.824227394628E+02 -0.88025E+03 -0.84122E+03 944 0.234E+02
DAV: 3 -0.207269436032E+03 -0.12485E+03 -0.12134E+03 960 0.913E+01
DAV: 4 -0.213156025282E+03 -0.58866E+01 -0.58378E+01 928 0.207E+01
DAV: 5 -0.213354714808E+03 -0.19869E+00 -0.19851E+00 1032 0.353E+00 0.265E+01
DAV: 6 -0.201604277281E+03 0.11750E+02 -0.51034E+01 952 0.275E+01 0.164E+01
DAV: 7 -0.200927645660E+03 0.67663E+00 -0.87206E+00 960 0.127E+01 0.767E+00
DAV: 8 -0.200548794762E+03 0.37885E+00 -0.18650E+00 888 0.540E+00 0.338E+00
DAV: 9 -0.200590189125E+03 -0.41394E-01 -0.12365E+00 936 0.349E+00 0.182E+00
DAV: 10 -0.200540919887E+03 0.49269E-01 -0.15259E-01 1032 0.187E+00 0.840E-01
DAV: 11 -0.200548645843E+03 -0.77260E-02 -0.15040E-01 904 0.135E+00 0.473E-01
DAV: 12 -0.200548740479E+03 -0.94636E-04 -0.24452E-02 920 0.639E-01 0.382E-01
DAV: 13 -0.200547096988E+03 0.16435E-02 -0.78234E-03 992 0.422E-01 0.186E-01
DAV: 14 -0.200547453722E+03 -0.35673E-03 -0.65611E-03 904 0.276E-01 0.982E-02
DAV: 15 -0.200547554324E+03 -0.10060E-03 -0.62629E-04 928 0.932E-02 0.507E-02
DAV: 16 -0.200547831449E+03 -0.27713E-03 -0.59937E-04 864 0.783E-02 0.321E-02
DAV: 17 -0.200548021359E+03 -0.18991E-03 -0.86356E-05 1032 0.467E-02 0.243E-02
DAV: 18 -0.200548371480E+03 -0.35012E-03 -0.23253E-04 984 0.515E-02 0.295E-02
DAV: 19 -0.200548544472E+03 -0.17299E-03 -0.63792E-05 896 0.371E-02 0.131E-02
DAV: 20 -0.200548665169E+03 -0.12070E-03 -0.10628E-04 888 0.315E-02 0.157E-02
DAV: 21 -0.200548784533E+03 -0.11936E-03 -0.13911E-05 648 0.172E-02 0.931E-03
DAV: 22 -0.200548878264E+03 -0.93731E-04 -0.26195E-05 776 0.160E-02 0.570E-03
DAV: 23 -0.200548980200E+03 -0.10194E-03 -0.64737E-06 536 0.112E-02 0.310E-03
DAV: 24 -0.200549025367E+03 -0.45167E-04 -0.36368E-06 520 0.624E-03 0.269E-03
DAV: 25 -0.200549066769E+03 -0.41403E-04 -0.26035E-06 552 0.440E-03 0.152E-03
DAV: 26 -0.200549090537E+03 -0.23768E-04 -0.13996E-06 528 0.268E-03 0.127E-03
DAV: 27 -0.200549093808E+03 -0.32713E-05 -0.45062E-07 448 0.224E-03
1 F= -.20054909E+03 E0= -.20055425E+03 d E =-.200549E+03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.157267274002E+03 0.43282E+02 -0.30652E+03 768 0.169E+02 0.247E+01
DAV: 2 -0.202115991965E+03 -0.44849E+02 -0.47101E+02 892 0.512E+01 0.169E+01
DAV: 3 -0.198547005049E+03 0.35690E+01 -0.23982E+01 872 0.133E+01 0.115E+01
DAV: 4 -0.196828656271E+03 0.17183E+01 -0.25197E+01 816 0.162E+01 0.450E+00
DAV: 5 -0.196567765050E+03 0.26089E+00 -0.19613E+00 808 0.589E+00 0.338E+00
DAV: 6 -0.196585439596E+03 -0.17675E-01 -0.11808E+00 816 0.312E+00 0.230E+00
DAV: 7 -0.196579796572E+03 0.56430E-02 -0.22141E-01 824 0.163E+00 0.793E-01
DAV: 8 -0.196571865186E+03 0.79314E-02 -0.26316E-02 872 0.668E-01 0.419E-01
DAV: 9 -0.196570686007E+03 0.11792E-02 -0.24781E-02 864 0.515E-01 0.246E-01
DAV: 10 -0.196571192795E+03 -0.50679E-03 -0.39835E-03 832 0.178E-01 0.234E-01
DAV: 11 -0.196571992253E+03 -0.79946E-03 -0.20210E-03 1056 0.164E-01 0.192E-01
DAV: 12 -0.196571384376E+03 0.60788E-03 -0.98190E-04 1160 0.121E-01 0.108E-01
DAV: 13 -0.196571332907E+03 0.51469E-04 -0.47975E-04 816 0.626E-02 0.657E-02
DAV: 14 -0.196571347508E+03 -0.14601E-04 -0.95659E-05 864 0.312E-02 0.414E-02
DAV: 15 -0.196571399818E+03 -0.52310E-04 -0.14414E-04 836 0.412E-02 0.817E-03
DAV: 16 -0.196571459458E+03 -0.59640E-04 -0.61560E-05 828 0.244E-02 0.136E-02
DAV: 17 -0.196571485627E+03 -0.26169E-04 -0.29792E-06 552 0.547E-03 0.134E-02
DAV: 18 -0.196571516182E+03 -0.30555E-04 -0.10832E-05 656 0.130E-02 0.759E-03
DAV: 19 -0.196571531244E+03 -0.15062E-04 -0.49698E-06 544 0.689E-03 0.238E-03
DAV: 20 -0.196571539177E+03 -0.79328E-05 -0.15626E-06 512 0.414E-03
2 F= -.19657154E+03 E0= -.19657239E+03 d E =0.397755E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194985053419E+03 0.15865E+01 -0.15631E+03 736 0.110E+02 0.148E+01
DAV: 2 -0.207725254075E+03 -0.12740E+02 -0.16124E+02 896 0.299E+01 0.108E+01
DAV: 3 -0.206051627691E+03 0.16736E+01 -0.59680E+00 896 0.850E+00 0.745E+00
DAV: 4 -0.205475180555E+03 0.57645E+00 -0.88334E+00 852 0.110E+01 0.280E+00
DAV: 5 -0.205513913431E+03 -0.38733E-01 -0.13587E+00 792 0.365E+00 0.260E+00
DAV: 6 -0.205454536909E+03 0.59377E-01 -0.36546E-01 864 0.222E+00 0.123E+00
DAV: 7 -0.205458702173E+03 -0.41653E-02 -0.12178E-01 864 0.118E+00 0.398E-01
DAV: 8 -0.205458194321E+03 0.50785E-03 -0.95674E-03 856 0.359E-01 0.336E-01
DAV: 9 -0.205457108799E+03 0.10855E-02 -0.64888E-03 864 0.288E-01 0.154E-01
DAV: 10 -0.205457120121E+03 -0.11322E-04 -0.75749E-04 848 0.910E-02 0.111E-01
DAV: 11 -0.205456996253E+03 0.12387E-03 -0.97852E-04 968 0.125E-01 0.389E-02
DAV: 12 -0.205457051080E+03 -0.54827E-04 -0.44414E-04 808 0.673E-02 0.301E-02
DAV: 13 -0.205457072970E+03 -0.21890E-04 -0.78160E-05 872 0.309E-02 0.219E-02
DAV: 14 -0.205457097246E+03 -0.24276E-04 -0.10799E-05 544 0.130E-02 0.154E-02
DAV: 15 -0.205457134487E+03 -0.37241E-04 -0.34474E-05 760 0.227E-02 0.508E-03
DAV: 16 -0.205457157871E+03 -0.23384E-04 -0.93255E-06 520 0.118E-02 0.464E-03
DAV: 17 -0.205457200512E+03 -0.42641E-04 -0.52151E-06 528 0.677E-03 0.437E-03
DAV: 18 -0.205457215898E+03 -0.15385E-04 -0.25969E-06 536 0.740E-03 0.220E-03
DAV: 19 -0.205457237179E+03 -0.21281E-04 -0.41865E-06 528 0.715E-03 0.329E-03
DAV: 20 -0.205457243774E+03 -0.65947E-05 -0.79333E-07 520 0.289E-03
3 F= -.20545724E+03 E0= -.20545792E+03 d E =-.490815E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196050692228E+03 0.94065E+01 -0.99240E+02 800 0.103E+02 0.957E+00
DAV: 2 -0.202481955631E+03 -0.64313E+01 -0.70369E+01 800 0.189E+01 0.718E+00
DAV: 3 -0.201877437742E+03 0.60452E+00 -0.17373E+00 968 0.507E+00 0.462E+00
DAV: 4 -0.201673715679E+03 0.20372E+00 -0.10223E+00 832 0.315E+00 0.324E+00
DAV: 5 -0.201540347591E+03 0.13337E+00 -0.48239E-01 832 0.253E+00 0.977E-01
DAV: 6 -0.201530739427E+03 0.96082E-02 -0.12069E-01 944 0.142E+00 0.520E-01
DAV: 7 -0.201533796100E+03 -0.30567E-02 -0.40718E-02 832 0.550E-01 0.342E-01
DAV: 8 -0.201533131933E+03 0.66417E-03 -0.99300E-03 920 0.394E-01 0.143E-01
DAV: 9 -0.201533598045E+03 -0.46611E-03 -0.34722E-03 864 0.211E-01 0.144E-01
DAV: 10 -0.201533487496E+03 0.11055E-03 -0.42321E-04 816 0.858E-02 0.102E-01
DAV: 11 -0.201533407208E+03 0.80288E-04 -0.13732E-03 856 0.132E-01 0.211E-02
DAV: 12 -0.201533479890E+03 -0.72682E-04 -0.16026E-04 832 0.454E-02 0.126E-02
DAV: 13 -0.201533527293E+03 -0.47402E-04 -0.15494E-05 680 0.162E-02 0.744E-03
DAV: 14 -0.201533612740E+03 -0.85447E-04 -0.22628E-05 584 0.114E-02 0.609E-03
DAV: 15 -0.201533638265E+03 -0.25525E-04 -0.40062E-06 600 0.638E-03 0.431E-03
DAV: 16 -0.201533685742E+03 -0.47477E-04 -0.11394E-05 552 0.628E-03 0.222E-03
DAV: 17 -0.201533697967E+03 -0.12225E-04 -0.25717E-06 576 0.384E-03 0.206E-03
DAV: 18 -0.201533705536E+03 -0.75687E-05 -0.16031E-06 504 0.410E-03
4 F= -.20153371E+03 E0= -.20153732E+03 d E =0.392354E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.203361862377E+03 -0.18282E+01 -0.54859E+02 736 0.718E+01 0.686E+00
DAV: 2 -0.206489046706E+03 -0.31272E+01 -0.37537E+01 864 0.148E+01 0.492E+00
DAV: 3 -0.206224400403E+03 0.26465E+00 -0.11291E+00 872 0.347E+00 0.356E+00
DAV: 4 -0.206097587306E+03 0.12681E+00 -0.17454E+00 840 0.492E+00 0.152E+00
DAV: 5 -0.206096223572E+03 0.13637E-02 -0.30809E-01 800 0.171E+00 0.147E+00
DAV: 6 -0.206067813362E+03 0.28410E-01 -0.10532E-01 920 0.122E+00 0.671E-01
DAV: 7 -0.206064121282E+03 0.36921E-02 -0.78905E-02 848 0.101E+00 0.211E-01
DAV: 8 -0.206065146098E+03 -0.10248E-02 -0.10987E-02 816 0.318E-01 0.199E-01
DAV: 9 -0.206064713127E+03 0.43297E-03 -0.75479E-04 872 0.111E-01 0.137E-01
DAV: 10 -0.206064606395E+03 0.10673E-03 -0.12685E-03 776 0.109E-01 0.494E-02
DAV: 11 -0.206064662310E+03 -0.55915E-04 -0.18151E-04 936 0.502E-02 0.201E-02
DAV: 12 -0.206064802480E+03 -0.14017E-03 -0.24936E-04 848 0.563E-02 0.387E-02
DAV: 13 -0.206064849531E+03 -0.47051E-04 -0.57828E-05 808 0.305E-02 0.227E-02
DAV: 14 -0.206064947803E+03 -0.98272E-04 -0.73566E-05 832 0.291E-02 0.585E-03
DAV: 15 -0.206065031288E+03 -0.83485E-04 -0.12373E-05 592 0.138E-02 0.907E-03
DAV: 16 -0.206065094424E+03 -0.63136E-04 -0.59256E-06 544 0.810E-03 0.706E-03
DAV: 17 -0.206065145991E+03 -0.51567E-04 -0.13622E-05 656 0.153E-02 0.446E-03
DAV: 18 -0.206065154139E+03 -0.81480E-05 -0.45652E-06 528 0.632E-03
5 F= -.20606515E+03 E0= -.20606584E+03 d E =-.607910E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.206074887931E+03 -0.97419E-02 -0.72756E-01 748 0.279E+00 0.234E-01
DAV: 2 -0.206076789723E+03 -0.19018E-02 -0.27602E-02 864 0.444E-01 0.137E-01
DAV: 3 -0.206076590056E+03 0.19967E-03 -0.15829E-03 912 0.140E-01 0.824E-02
DAV: 4 -0.206076529571E+03 0.60485E-04 -0.25745E-04 896 0.581E-02 0.374E-02
DAV: 5 -0.206076535350E+03 -0.57790E-05 -0.21402E-04 864 0.460E-02 0.194E-02
DAV: 6 -0.206076536360E+03 -0.10096E-05 -0.60482E-05 792 0.259E-02
6 F= -.20607654E+03 E0= -.20607722E+03 d E =-.619293E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.205678307988E+03 0.39823E+00 -0.26083E+02 736 0.530E+01 0.372E+00
DAV: 2 -0.206732446846E+03 -0.10541E+01 -0.11582E+01 816 0.842E+00 0.225E+00
DAV: 3 -0.206681573702E+03 0.50873E-01 -0.20380E-01 864 0.151E+00 0.158E+00
DAV: 4 -0.206653572588E+03 0.28001E-01 -0.19185E-01 856 0.176E+00 0.605E-01
DAV: 5 -0.206656960513E+03 -0.33879E-02 -0.65270E-02 832 0.708E-01 0.520E-01
DAV: 6 -0.206654418301E+03 0.25422E-02 -0.17302E-02 896 0.447E-01 0.199E-01
DAV: 7 -0.206654831388E+03 -0.41309E-03 -0.43898E-03 808 0.210E-01 0.728E-02
DAV: 8 -0.206655105661E+03 -0.27427E-03 -0.70788E-04 856 0.994E-02 0.455E-02
DAV: 9 -0.206655143278E+03 -0.37617E-04 -0.32992E-04 840 0.643E-02 0.268E-02
DAV: 10 -0.206655268164E+03 -0.12489E-03 -0.19594E-04 904 0.566E-02 0.177E-02
DAV: 11 -0.206655328649E+03 -0.60485E-04 -0.28671E-05 744 0.233E-02 0.125E-02
DAV: 12 -0.206655431485E+03 -0.10284E-03 -0.71415E-05 872 0.336E-02 0.810E-03
DAV: 13 -0.206655456391E+03 -0.24905E-04 -0.13202E-05 616 0.125E-02 0.763E-03
DAV: 14 -0.206655497734E+03 -0.41343E-04 -0.14720E-05 660 0.112E-02 0.222E-03
DAV: 15 -0.206655521107E+03 -0.23374E-04 -0.34229E-06 552 0.565E-03 0.119E-03
DAV: 16 -0.206655534088E+03 -0.12980E-04 -0.25897E-06 544 0.406E-03 0.130E-03
DAV: 17 -0.206655539839E+03 -0.57513E-05 -0.61976E-07 536 0.219E-03
7 F= -.20665554E+03 E0= -.20665620E+03 d E =-.579003E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.206655320251E+03 0.21384E-03 -0.38686E-01 736 0.205E+00 0.121E-01
DAV: 2 -0.206656282636E+03 -0.96239E-03 -0.10835E-02 800 0.284E-01 0.717E-02
DAV: 3 -0.206656237077E+03 0.45559E-04 -0.22233E-04 896 0.490E-02 0.475E-02
DAV: 4 -0.206656220165E+03 0.16912E-04 -0.75331E-05 864 0.383E-02 0.167E-02
DAV: 5 -0.206656226537E+03 -0.63719E-05 -0.67972E-05 840 0.235E-02
8 F= -.20665623E+03 E0= -.20665689E+03 d E =-.579690E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.205713182592E+03 0.94304E+00 -0.24729E+02 744 0.528E+01 0.375E+00
DAV: 2 -0.206818180822E+03 -0.11050E+01 -0.12193E+01 816 0.880E+00 0.257E+00
DAV: 3 -0.206731175974E+03 0.87005E-01 -0.25495E-01 880 0.202E+00 0.170E+00
DAV: 4 -0.206704549300E+03 0.26627E-01 -0.31561E-01 856 0.198E+00 0.670E-01
DAV: 5 -0.206704627264E+03 -0.77964E-04 -0.47010E-02 840 0.678E-01 0.454E-01
DAV: 6 -0.206703952344E+03 0.67492E-03 -0.19081E-02 872 0.503E-01 0.123E-01
DAV: 7 -0.206704698823E+03 -0.74648E-03 -0.46442E-03 816 0.201E-01 0.882E-02
DAV: 8 -0.206704822361E+03 -0.12354E-03 -0.69176E-04 960 0.110E-01 0.470E-02
DAV: 9 -0.206704905619E+03 -0.83258E-04 -0.67312E-04 848 0.942E-02 0.434E-02
DAV: 10 -0.206704976199E+03 -0.70580E-04 -0.27280E-04 968 0.631E-02 0.189E-02
DAV: 11 -0.206705032159E+03 -0.55961E-04 -0.53208E-05 832 0.263E-02 0.812E-03
DAV: 12 -0.206705116562E+03 -0.84403E-04 -0.40574E-05 808 0.195E-02 0.710E-03
DAV: 13 -0.206705197514E+03 -0.80952E-04 -0.13213E-05 648 0.131E-02 0.496E-03
DAV: 14 -0.206705240245E+03 -0.42731E-04 -0.13517E-05 616 0.105E-02 0.412E-03
DAV: 15 -0.206705254612E+03 -0.14367E-04 -0.32626E-06 560 0.640E-03 0.175E-03
DAV: 16 -0.206705263689E+03 -0.90769E-05 -0.14501E-06 528 0.290E-03
9 F= -.20670526E+03 E0= -.20670593E+03 d E =-.490372E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.206739896855E+03 -0.34642E-01 -0.57555E+01 736 0.253E+01 0.165E+00
DAV: 2 -0.206916168589E+03 -0.17627E+00 -0.19952E+00 840 0.388E+00 0.101E+00
DAV: 3 -0.206904422432E+03 0.11746E-01 -0.53737E-02 912 0.887E-01 0.657E-01
DAV: 4 -0.206901189796E+03 0.32326E-02 -0.35931E-02 864 0.647E-01 0.282E-01
DAV: 5 -0.206900968584E+03 0.22121E-03 -0.55828E-03 928 0.268E-01 0.142E-01
DAV: 6 -0.206901179585E+03 -0.21100E-03 -0.31857E-03 912 0.209E-01 0.490E-02
DAV: 7 -0.206901242124E+03 -0.62538E-04 -0.59184E-04 840 0.739E-02 0.351E-02
DAV: 8 -0.206901253262E+03 -0.11138E-04 -0.94181E-05 848 0.310E-02 0.147E-02
DAV: 9 -0.206901266556E+03 -0.13294E-04 -0.69094E-06 512 0.138E-02 0.893E-03
DAV: 10 -0.206901287261E+03 -0.20704E-04 -0.10846E-05 560 0.148E-02 0.577E-03
DAV: 11 -0.206901298037E+03 -0.10777E-04 -0.71180E-06 512 0.110E-02 0.406E-03
DAV: 12 -0.206901320115E+03 -0.22078E-04 -0.86568E-06 528 0.959E-03 0.469E-03
DAV: 13 -0.206901337542E+03 -0.17427E-04 -0.35100E-06 536 0.543E-03 0.467E-03
DAV: 14 -0.206901345878E+03 -0.83360E-05 -0.18385E-06 528 0.661E-03
10 F= -.20690135E+03 E0= -.20690201E+03 d E =-.245119E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.206801508462E+03 0.99829E-01 -0.90232E+01 736 0.301E+01 0.224E+00
DAV: 2 -0.207137928485E+03 -0.33642E+00 -0.37463E+00 800 0.466E+00 0.155E+00
DAV: 3 -0.207108390027E+03 0.29538E-01 -0.55398E-02 888 0.883E-01 0.107E+00
DAV: 4 -0.207103758072E+03 0.46320E-02 -0.23020E-01 832 0.156E+00 0.617E-01
DAV: 5 -0.207098727262E+03 0.50308E-02 -0.32447E-02 816 0.598E-01 0.446E-01
DAV: 6 -0.207096877064E+03 0.18502E-02 -0.18653E-02 888 0.439E-01 0.135E-01
DAV: 7 -0.207096808210E+03 0.68854E-04 -0.30458E-03 832 0.168E-01 0.592E-02
DAV: 8 -0.207096822952E+03 -0.14742E-04 -0.80996E-04 880 0.908E-02 0.358E-02
DAV: 9 -0.207096813883E+03 0.90690E-05 -0.96004E-05 824 0.306E-02
11 F= -.20709681E+03 E0= -.20709752E+03 d E =-.195468E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207096964334E+03 -0.14138E-03 -0.42070E-01 736 0.198E+00 0.141E-01
DAV: 2 -0.207098053204E+03 -0.10889E-02 -0.12209E-02 804 0.289E-01 0.838E-02
DAV: 3 -0.207097976561E+03 0.76642E-04 -0.17057E-04 904 0.468E-02 0.549E-02
DAV: 4 -0.207097965520E+03 0.11042E-04 -0.36519E-04 848 0.663E-02 0.208E-02
DAV: 5 -0.207097964322E+03 0.11972E-05 -0.77677E-05 824 0.275E-02
12 F= -.20709796E+03 E0= -.20709866E+03 d E =-.196618E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207013703236E+03 0.84262E-01 -0.73940E+01 736 0.271E+01 0.196E+00
DAV: 2 -0.207254985775E+03 -0.24128E+00 -0.27438E+00 828 0.419E+00 0.106E+00
DAV: 3 -0.207241743091E+03 0.13243E-01 -0.43157E-02 864 0.777E-01 0.722E-01
DAV: 4 -0.207236438775E+03 0.53043E-02 -0.54367E-02 864 0.909E-01 0.274E-01
DAV: 5 -0.207237491192E+03 -0.10524E-02 -0.16885E-02 832 0.364E-01 0.245E-01
DAV: 6 -0.207236880697E+03 0.61049E-03 -0.43029E-03 912 0.221E-01 0.935E-02
DAV: 7 -0.207236983033E+03 -0.10234E-03 -0.78017E-04 824 0.848E-02 0.351E-02
DAV: 8 -0.207237086541E+03 -0.10351E-03 -0.10418E-04 816 0.329E-02 0.135E-02
DAV: 9 -0.207237149140E+03 -0.62599E-04 -0.19994E-05 656 0.193E-02 0.752E-03
DAV: 10 -0.207237207527E+03 -0.58387E-04 -0.12092E-05 632 0.105E-02 0.417E-03
DAV: 11 -0.207237240892E+03 -0.33365E-04 -0.42389E-06 544 0.647E-03 0.395E-03
DAV: 12 -0.207237294522E+03 -0.53630E-04 -0.11734E-05 620 0.112E-02 0.186E-03
DAV: 13 -0.207237307465E+03 -0.12943E-04 -0.46186E-06 560 0.593E-03 0.295E-03
DAV: 14 -0.207237319089E+03 -0.11624E-04 -0.23226E-06 544 0.458E-03 0.117E-03
DAV: 15 -0.207237321819E+03 -0.27292E-05 -0.80057E-07 536 0.251E-03
13 F= -.20723732E+03 E0= -.20723804E+03 d E =-.139357E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207236942760E+03 0.37633E-03 -0.40217E-01 736 0.203E+00 0.133E-01
DAV: 2 -0.207237970572E+03 -0.10278E-02 -0.11631E-02 804 0.293E-01 0.690E-02
DAV: 3 -0.207237933247E+03 0.37324E-04 -0.19875E-04 920 0.476E-02 0.450E-02
DAV: 4 -0.207237921651E+03 0.11596E-04 -0.84360E-05 848 0.384E-02 0.139E-02
DAV: 5 -0.207237928533E+03 -0.68815E-05 -0.57082E-05 808 0.210E-02
14 F= -.20723793E+03 E0= -.20723865E+03 d E =-.139964E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207239040288E+03 -0.11186E-02 -0.35090E+01 736 0.191E+01 0.135E+00
DAV: 2 -0.207344023009E+03 -0.10498E+00 -0.12090E+00 804 0.295E+00 0.678E-01
DAV: 3 -0.207340014494E+03 0.40085E-02 -0.26364E-02 864 0.564E-01 0.459E-01
DAV: 4 -0.207338150163E+03 0.18643E-02 -0.14157E-02 880 0.494E-01 0.179E-01
DAV: 5 -0.207338796684E+03 -0.64652E-03 -0.63712E-03 856 0.229E-01 0.143E-01
DAV: 6 -0.207338573311E+03 0.22337E-03 -0.19644E-03 960 0.178E-01 0.597E-02
DAV: 7 -0.207338640050E+03 -0.66739E-04 -0.51592E-04 840 0.663E-02 0.287E-02
DAV: 8 -0.207338688559E+03 -0.48509E-04 -0.74386E-05 824 0.312E-02 0.106E-02
DAV: 9 -0.207338719051E+03 -0.30492E-04 -0.31918E-05 728 0.211E-02 0.950E-03
DAV: 10 -0.207338751297E+03 -0.32246E-04 -0.13287E-05 624 0.175E-02 0.321E-03
DAV: 11 -0.207338789315E+03 -0.38017E-04 -0.12624E-05 584 0.104E-02 0.558E-03
DAV: 12 -0.207338820495E+03 -0.31181E-04 -0.43251E-06 544 0.864E-03 0.212E-03
DAV: 13 -0.207338842763E+03 -0.22267E-04 -0.85025E-06 568 0.882E-03 0.341E-03
DAV: 14 -0.207338849704E+03 -0.69415E-05 -0.12587E-06 544 0.550E-03
15 F= -.20733885E+03 E0= -.20733958E+03 d E =-.100921E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207336829568E+03 0.20132E-02 -0.30126E+00 736 0.562E+00 0.381E-01
DAV: 2 -0.207344992708E+03 -0.81631E-02 -0.94119E-02 796 0.849E-01 0.192E-01
DAV: 3 -0.207344759273E+03 0.23343E-03 -0.22978E-03 888 0.161E-01 0.126E-01
DAV: 4 -0.207344636418E+03 0.12286E-03 -0.65036E-04 936 0.111E-01 0.513E-02
DAV: 5 -0.207344677845E+03 -0.41427E-04 -0.45648E-04 872 0.641E-02 0.345E-02
DAV: 6 -0.207344665529E+03 0.12316E-04 -0.14737E-04 920 0.493E-02 0.163E-02
DAV: 7 -0.207344671963E+03 -0.64343E-05 -0.39553E-05 696 0.180E-02
16 F= -.20734467E+03 E0= -.20734541E+03 d E =-.106743E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207380444950E+03 -0.35779E-01 -0.69914E+00 736 0.863E+00 0.624E-01
DAV: 2 -0.207401959628E+03 -0.21515E-01 -0.24081E-01 800 0.135E+00 0.387E-01
DAV: 3 -0.207400370446E+03 0.15892E-02 -0.58696E-03 920 0.278E-01 0.246E-01
DAV: 4 -0.207399866657E+03 0.50379E-03 -0.46428E-03 824 0.247E-01 0.936E-02
DAV: 5 -0.207399858536E+03 0.81207E-05 -0.87606E-04 920 0.104E-01 0.539E-02
DAV: 6 -0.207399875246E+03 -0.16710E-04 -0.55685E-04 928 0.880E-02 0.245E-02
DAV: 7 -0.207399876664E+03 -0.14178E-05 -0.98689E-05 840 0.324E-02
17 F= -.20739988E+03 E0= -.20740063E+03 d E =-.552047E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207402609899E+03 -0.27347E-02 -0.26739E+00 736 0.532E+00 0.390E-01
DAV: 2 -0.207410774458E+03 -0.81646E-02 -0.91837E-02 800 0.830E-01 0.238E-01
DAV: 3 -0.207410176849E+03 0.59761E-03 -0.23674E-03 920 0.172E-01 0.150E-01
DAV: 4 -0.207409971882E+03 0.20497E-03 -0.14827E-03 832 0.142E-01 0.564E-02
DAV: 5 -0.207409976295E+03 -0.44132E-05 -0.34591E-04 920 0.633E-02 0.320E-02
DAV: 6 -0.207409983371E+03 -0.70761E-05 -0.20139E-04 928 0.521E-02 0.156E-02
DAV: 7 -0.207409984971E+03 -0.15999E-05 -0.30726E-05 656 0.190E-02
18 F= -.20740998E+03 E0= -.20741075E+03 d E =-.653130E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207425867503E+03 -0.15884E-01 -0.74098E+00 736 0.912E+00 0.700E-01
DAV: 2 -0.207447247226E+03 -0.21380E-01 -0.24905E-01 840 0.142E+00 0.363E-01
DAV: 3 -0.207446034310E+03 0.12129E-02 -0.82525E-03 920 0.324E-01 0.224E-01
DAV: 4 -0.207445668775E+03 0.36554E-03 -0.24376E-03 880 0.184E-01 0.921E-02
DAV: 5 -0.207445708018E+03 -0.39243E-04 -0.86265E-04 904 0.100E-01 0.403E-02
DAV: 6 -0.207445722435E+03 -0.14417E-04 -0.32466E-04 912 0.629E-02 0.249E-02
DAV: 7 -0.207445725863E+03 -0.34276E-05 -0.43289E-05 760 0.203E-02
19 F= -.20744573E+03 E0= -.20744649E+03 d E =-.357409E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207445790392E+03 -0.67956E-04 -0.44677E-02 744 0.709E-01 0.570E-02
DAV: 2 -0.207445928661E+03 -0.13827E-03 -0.15389E-03 848 0.111E-01 0.274E-02
DAV: 3 -0.207445923252E+03 0.54087E-05 -0.46799E-05 888 0.256E-02
20 F= -.20744592E+03 E0= -.20744668E+03 d E =-.359383E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207467391328E+03 -0.21463E-01 -0.58373E+00 736 0.801E+00 0.588E-01
DAV: 2 -0.207483149863E+03 -0.15759E-01 -0.18389E-01 824 0.123E+00 0.313E-01
DAV: 3 -0.207482496707E+03 0.65316E-03 -0.51237E-03 944 0.243E-01 0.193E-01
DAV: 4 -0.207482255060E+03 0.24165E-03 -0.16449E-03 984 0.175E-01 0.731E-02
DAV: 5 -0.207482340023E+03 -0.84963E-04 -0.83855E-04 864 0.880E-02 0.463E-02
DAV: 6 -0.207482334203E+03 0.58196E-05 -0.28603E-04 960 0.688E-02 0.214E-02
DAV: 7 -0.207482343966E+03 -0.97630E-05 -0.63380E-05 800 0.252E-02
21 F= -.20748234E+03 E0= -.20748308E+03 d E =-.364207E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207483392517E+03 -0.10583E-02 -0.20273E+00 736 0.473E+00 0.347E-01
DAV: 2 -0.207488916218E+03 -0.55237E-02 -0.64335E-02 824 0.734E-01 0.184E-01
DAV: 3 -0.207488677668E+03 0.23855E-03 -0.18161E-03 952 0.147E-01 0.113E-01
DAV: 4 -0.207488595760E+03 0.81908E-04 -0.57634E-04 936 0.102E-01 0.423E-02
DAV: 5 -0.207488628289E+03 -0.32529E-04 -0.29028E-04 872 0.534E-02 0.268E-02
DAV: 6 -0.207488630424E+03 -0.21348E-05 -0.89107E-05 872 0.393E-02
22 F= -.20748863E+03 E0= -.20748936E+03 d E =-.427072E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207494995759E+03 -0.63675E-02 -0.42531E+00 736 0.710E+00 0.538E-01
DAV: 2 -0.207509392840E+03 -0.14397E-01 -0.16602E-01 840 0.120E+00 0.302E-01
DAV: 3 -0.207508599503E+03 0.79334E-03 -0.70613E-03 936 0.292E-01 0.188E-01
DAV: 4 -0.207508362976E+03 0.23653E-03 -0.13471E-03 912 0.149E-01 0.891E-02
DAV: 5 -0.207508426881E+03 -0.63905E-04 -0.84429E-04 824 0.963E-02 0.469E-02
DAV: 6 -0.207508412453E+03 0.14428E-04 -0.33788E-04 968 0.703E-02 0.236E-02
DAV: 7 -0.207508421288E+03 -0.88353E-05 -0.10947E-04 768 0.305E-02 0.155E-02
DAV: 8 -0.207508418968E+03 0.23205E-05 -0.50346E-06 416 0.112E-02
23 F= -.20750842E+03 E0= -.20750915E+03 d E =-.197885E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207508420899E+03 0.38926E-06 -0.41452E-04 768 0.708E-02 0.675E-03
DAV: 2 -0.207508422674E+03 -0.17750E-05 -0.19953E-05 544 0.137E-02
24 F= -.20750842E+03 E0= -.20750915E+03 d E =-.197923E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207523588534E+03 -0.15168E-01 -0.18155E+00 736 0.453E+00 0.361E-01
DAV: 2 -0.207529379731E+03 -0.57912E-02 -0.65073E-02 824 0.742E-01 0.213E-01
DAV: 3 -0.207528895138E+03 0.48459E-03 -0.14496E-03 960 0.150E-01 0.133E-01
DAV: 4 -0.207528817899E+03 0.77239E-04 -0.19055E-03 864 0.159E-01 0.510E-02
DAV: 5 -0.207528797107E+03 0.20793E-04 -0.35405E-04 872 0.750E-02 0.312E-02
DAV: 6 -0.207528809818E+03 -0.12712E-04 -0.24957E-04 872 0.535E-02 0.153E-02
DAV: 7 -0.207528807372E+03 0.24466E-05 -0.19403E-05 624 0.195E-02
25 F= -.20752881E+03 E0= -.20752953E+03 d E =-.203847E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207530727439E+03 -0.19176E-02 -0.18320E+00 736 0.454E+00 0.367E-01
DAV: 2 -0.207536449415E+03 -0.57220E-02 -0.64452E-02 824 0.738E-01 0.209E-01
DAV: 3 -0.207536002717E+03 0.44670E-03 -0.14437E-03 968 0.144E-01 0.130E-01
DAV: 4 -0.207535909286E+03 0.93431E-04 -0.15451E-03 864 0.143E-01 0.453E-02
DAV: 5 -0.207535903437E+03 0.58491E-05 -0.31704E-04 888 0.685E-02 0.274E-02
DAV: 6 -0.207535915147E+03 -0.11711E-04 -0.16541E-04 872 0.435E-02 0.132E-02
DAV: 7 -0.207535914810E+03 0.33761E-06 -0.11121E-05 488 0.156E-02
26 F= -.20753591E+03 E0= -.20753664E+03 d E =-.274921E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207549222386E+03 -0.13307E-01 -0.19630E+00 736 0.472E+00 0.377E-01
DAV: 2 -0.207555506149E+03 -0.62838E-02 -0.71711E-02 840 0.799E-01 0.200E-01
DAV: 3 -0.207555342072E+03 0.16408E-03 -0.21479E-03 944 0.162E-01 0.128E-01
DAV: 4 -0.207555284505E+03 0.57567E-04 -0.62252E-04 952 0.112E-01 0.483E-02
DAV: 5 -0.207555326809E+03 -0.42303E-04 -0.32428E-04 848 0.557E-02 0.306E-02
DAV: 6 -0.207555319710E+03 0.70991E-05 -0.88368E-05 864 0.392E-02
27 F= -.20755532E+03 E0= -.20755604E+03 d E =-.194049E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207553527299E+03 0.17995E-02 -0.25815E+00 736 0.542E+00 0.433E-01
DAV: 2 -0.207561913101E+03 -0.83858E-02 -0.94969E-02 840 0.917E-01 0.228E-01
DAV: 3 -0.207561685773E+03 0.22733E-03 -0.24973E-03 952 0.177E-01 0.146E-01
DAV: 4 -0.207561620303E+03 0.65471E-04 -0.91036E-04 912 0.132E-01 0.503E-02
DAV: 5 -0.207561667267E+03 -0.46965E-04 -0.40171E-04 840 0.629E-02 0.340E-02
DAV: 6 -0.207561661674E+03 0.55939E-05 -0.12247E-04 904 0.445E-02 0.160E-02
DAV: 7 -0.207561665501E+03 -0.38273E-05 -0.27545E-05 680 0.168E-02
28 F= -.20756167E+03 E0= -.20756238E+03 d E =-.257507E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207568565694E+03 -0.69040E-02 -0.24777E+00 736 0.534E+00 0.392E-01
DAV: 2 -0.207576755979E+03 -0.81903E-02 -0.92123E-02 824 0.898E-01 0.214E-01
DAV: 3 -0.207576461740E+03 0.29424E-03 -0.26566E-03 928 0.178E-01 0.137E-01
DAV: 4 -0.207576367384E+03 0.94357E-04 -0.68011E-04 928 0.114E-01 0.559E-02
DAV: 5 -0.207576427145E+03 -0.59762E-04 -0.45407E-04 840 0.647E-02 0.339E-02
DAV: 6 -0.207576416308E+03 0.10837E-04 -0.15048E-04 920 0.511E-02 0.157E-02
DAV: 7 -0.207576422429E+03 -0.61206E-05 -0.51191E-05 712 0.210E-02
29 F= -.20757642E+03 E0= -.20757713E+03 d E =-.147569E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207572652295E+03 0.37640E-02 -0.30022E+00 736 0.589E+00 0.432E-01
DAV: 2 -0.207582621475E+03 -0.99692E-02 -0.11178E-01 824 0.990E-01 0.236E-01
DAV: 3 -0.207582263714E+03 0.35776E-03 -0.31600E-03 936 0.196E-01 0.150E-01
DAV: 4 -0.207582147009E+03 0.11671E-03 -0.81963E-04 928 0.124E-01 0.606E-02
DAV: 5 -0.207582216894E+03 -0.69885E-04 -0.53011E-04 840 0.701E-02 0.361E-02
DAV: 6 -0.207582205936E+03 0.10958E-04 -0.17272E-04 928 0.545E-02 0.171E-02
DAV: 7 -0.207582212784E+03 -0.68480E-05 -0.56221E-05 720 0.220E-02
30 F= -.20758221E+03 E0= -.20758291E+03 d E =-.205473E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207592557770E+03 -0.10352E-01 -0.13445E+00 736 0.402E+00 0.331E-01
DAV: 2 -0.207597021211E+03 -0.44634E-02 -0.50321E-02 824 0.669E-01 0.172E-01
DAV: 3 -0.207596717119E+03 0.30409E-03 -0.13840E-03 928 0.140E-01 0.107E-01
DAV: 4 -0.207596664065E+03 0.53054E-04 -0.73356E-04 872 0.971E-02 0.376E-02
DAV: 5 -0.207596677451E+03 -0.13386E-04 -0.19495E-04 896 0.499E-02 0.188E-02
DAV: 6 -0.207596683515E+03 -0.60644E-05 -0.59671E-05 824 0.282E-02
31 F= -.20759668E+03 E0= -.20759738E+03 d E =-.144707E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207598075561E+03 -0.13981E-02 -0.12153E+00 736 0.382E+00 0.316E-01
DAV: 2 -0.207602138067E+03 -0.40625E-02 -0.45796E-02 824 0.636E-01 0.164E-01
DAV: 3 -0.207601852599E+03 0.28547E-03 -0.12233E-03 928 0.133E-01 0.101E-01
DAV: 4 -0.207601802928E+03 0.49671E-04 -0.70780E-04 864 0.949E-02 0.357E-02
DAV: 5 -0.207601813678E+03 -0.10750E-04 -0.17845E-04 888 0.482E-02 0.182E-02
DAV: 6 -0.207601819941E+03 -0.62625E-05 -0.56237E-05 800 0.272E-02
32 F= -.20760182E+03 E0= -.20760252E+03 d E =-.196072E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207613662546E+03 -0.11849E-01 -0.11245E+00 736 0.365E+00 0.294E-01
DAV: 2 -0.207617224734E+03 -0.35622E-02 -0.39980E-02 848 0.602E-01 0.178E-01
DAV: 3 -0.207616980649E+03 0.24409E-03 -0.14710E-03 928 0.145E-01 0.106E-01
DAV: 4 -0.207616967828E+03 0.12821E-04 -0.59390E-04 824 0.861E-02 0.421E-02
DAV: 5 -0.207616981920E+03 -0.14092E-04 -0.15356E-04 952 0.478E-02 0.169E-02
DAV: 6 -0.207616986987E+03 -0.50673E-05 -0.42885E-05 744 0.230E-02
33 F= -.20761699E+03 E0= -.20761768E+03 d E =-.151670E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207618348878E+03 -0.13670E-02 -0.19237E+00 736 0.477E+00 0.384E-01
DAV: 2 -0.207624505717E+03 -0.61568E-02 -0.68756E-02 848 0.787E-01 0.232E-01
DAV: 3 -0.207624082370E+03 0.42335E-03 -0.23622E-03 928 0.186E-01 0.138E-01
DAV: 4 -0.207624062476E+03 0.19894E-04 -0.10777E-03 824 0.115E-01 0.531E-02
DAV: 5 -0.207624084478E+03 -0.22002E-04 -0.27067E-04 960 0.634E-02 0.217E-02
DAV: 6 -0.207624092652E+03 -0.81734E-05 -0.66694E-05 816 0.286E-02
34 F= -.20762409E+03 E0= -.20762479E+03 d E =-.222727E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207631317371E+03 -0.72329E-02 -0.17360E+00 736 0.449E+00 0.341E-01
DAV: 2 -0.207637083115E+03 -0.57657E-02 -0.64733E-02 816 0.754E-01 0.179E-01
DAV: 3 -0.207636895431E+03 0.18768E-03 -0.15750E-03 912 0.139E-01 0.115E-01
DAV: 4 -0.207636858370E+03 0.37060E-04 -0.58802E-04 872 0.102E-01 0.384E-02
DAV: 5 -0.207636906399E+03 -0.48028E-04 -0.31808E-04 832 0.524E-02 0.278E-02
DAV: 6 -0.207636901819E+03 0.45795E-05 -0.81400E-05 824 0.359E-02
35 F= -.20763690E+03 E0= -.20763760E+03 d E =-.128092E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207595340850E+03 0.41566E-01 -0.15552E+01 736 0.135E+01 0.102E+00
DAV: 2 -0.207648092922E+03 -0.52752E-01 -0.59382E-01 824 0.226E+00 0.542E-01
DAV: 3 -0.207646079106E+03 0.20138E-02 -0.13920E-02 920 0.419E-01 0.352E-01
DAV: 4 -0.207645637330E+03 0.44178E-03 -0.69309E-03 864 0.336E-01 0.121E-01
DAV: 5 -0.207645999171E+03 -0.36184E-03 -0.29767E-03 840 0.161E-01 0.888E-02
DAV: 6 -0.207645953180E+03 0.45990E-04 -0.79260E-04 960 0.106E-01 0.412E-02
DAV: 7 -0.207645967091E+03 -0.13911E-04 -0.17124E-04 792 0.405E-02 0.200E-02
DAV: 8 -0.207645976973E+03 -0.98818E-05 -0.45111E-05 744 0.247E-02
36 F= -.20764598E+03 E0= -.20764666E+03 d E =-.218843E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207643968657E+03 0.19984E-02 -0.11856E+00 736 0.372E+00 0.278E-01
DAV: 2 -0.207647922498E+03 -0.39538E-02 -0.44044E-02 820 0.624E-01 0.149E-01
DAV: 3 -0.207647785153E+03 0.13735E-03 -0.99188E-04 928 0.110E-01 0.957E-02
DAV: 4 -0.207647764935E+03 0.20218E-04 -0.39708E-04 836 0.842E-02 0.293E-02
DAV: 5 -0.207647796096E+03 -0.31161E-04 -0.21548E-04 840 0.431E-02 0.215E-02
DAV: 6 -0.207647792930E+03 0.31661E-05 -0.61616E-05 800 0.317E-02
37 F= -.20764779E+03 E0= -.20764848E+03 d E =-.237003E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207655195414E+03 -0.73993E-02 -0.21291E+00 736 0.501E+00 0.380E-01
DAV: 2 -0.207661956045E+03 -0.67606E-02 -0.75511E-02 812 0.820E-01 0.210E-01
DAV: 3 -0.207661677699E+03 0.27835E-03 -0.16159E-03 936 0.154E-01 0.131E-01
DAV: 4 -0.207661681610E+03 -0.39111E-05 -0.10334E-03 864 0.124E-01 0.436E-02
DAV: 5 -0.207661709598E+03 -0.27988E-04 -0.31091E-04 856 0.614E-02 0.264E-02
DAV: 6 -0.207661714765E+03 -0.51672E-05 -0.12443E-04 856 0.393E-02 0.137E-02
DAV: 7 -0.207661713866E+03 0.89973E-06 -0.10237E-05 504 0.141E-02
38 F= -.20766171E+03 E0= -.20766240E+03 d E =-.139209E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207660434551E+03 0.12802E-02 -0.23238E+00 736 0.524E+00 0.399E-01
DAV: 2 -0.207667929832E+03 -0.74953E-02 -0.83576E-02 816 0.860E-01 0.221E-01
DAV: 3 -0.207667598171E+03 0.33166E-03 -0.18135E-03 952 0.166E-01 0.137E-01
DAV: 4 -0.207667616371E+03 -0.18200E-04 -0.12337E-03 856 0.134E-01 0.480E-02
DAV: 5 -0.207667644251E+03 -0.27879E-04 -0.34368E-04 856 0.662E-02 0.271E-02
DAV: 6 -0.207667654305E+03 -0.10054E-04 -0.12574E-04 848 0.383E-02 0.137E-02
DAV: 7 -0.207667654811E+03 -0.50658E-06 -0.84459E-06 480 0.126E-02
39 F= -.20766765E+03 E0= -.20766834E+03 d E =-.198619E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207677407694E+03 -0.97534E-02 -0.67611E-01 736 0.284E+00 0.230E-01
DAV: 2 -0.207679539585E+03 -0.21319E-02 -0.23906E-02 836 0.471E-01 0.136E-01
DAV: 3 -0.207679407673E+03 0.13191E-03 -0.56780E-04 936 0.948E-02 0.848E-02
DAV: 4 -0.207679443233E+03 -0.35560E-04 -0.72894E-04 812 0.920E-02 0.337E-02
DAV: 5 -0.207679435958E+03 0.72754E-05 -0.11962E-04 856 0.452E-02 0.186E-02
DAV: 6 -0.207679443347E+03 -0.73892E-05 -0.80137E-05 828 0.295E-02
40 F= -.20767944E+03 E0= -.20768013E+03 d E =-.117885E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207682156571E+03 -0.27206E-02 -0.40262E+00 736 0.692E+00 0.560E-01
DAV: 2 -0.207694908330E+03 -0.12752E-01 -0.14189E-01 836 0.114E+00 0.337E-01
DAV: 3 -0.207694014586E+03 0.89374E-03 -0.33599E-03 928 0.232E-01 0.209E-01
DAV: 4 -0.207694194623E+03 -0.18004E-03 -0.44325E-03 812 0.224E-01 0.828E-02
DAV: 5 -0.207694138124E+03 0.56499E-04 -0.73511E-04 936 0.115E-01 0.419E-02
DAV: 6 -0.207694182632E+03 -0.44508E-04 -0.43375E-04 820 0.655E-02 0.201E-02
DAV: 7 -0.207694183164E+03 -0.53235E-06 -0.21286E-05 632 0.193E-02
41 F= -.20769418E+03 E0= -.20769487E+03 d E =-.265284E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207701344803E+03 -0.71622E-02 -0.14100E+00 736 0.410E+00 0.319E-01
DAV: 2 -0.207706246853E+03 -0.49020E-02 -0.55998E-02 804 0.704E-01 0.167E-01
DAV: 3 -0.207706090556E+03 0.15630E-03 -0.16305E-03 904 0.138E-01 0.109E-01
DAV: 4 -0.207706050534E+03 0.40021E-04 -0.58938E-04 864 0.996E-02 0.410E-02
DAV: 5 -0.207706094865E+03 -0.44331E-04 -0.30101E-04 848 0.520E-02 0.290E-02
DAV: 6 -0.207706089712E+03 0.51530E-05 -0.92657E-05 848 0.380E-02
42 F= -.20770609E+03 E0= -.20770678E+03 d E =-.119065E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207695879054E+03 0.10216E-01 -0.57767E+00 736 0.830E+00 0.640E-01
DAV: 2 -0.207716252194E+03 -0.20373E-01 -0.23007E-01 804 0.142E+00 0.339E-01
DAV: 3 -0.207715500513E+03 0.75168E-03 -0.56330E-03 904 0.262E-01 0.223E-01
DAV: 4 -0.207715316433E+03 0.18408E-03 -0.31069E-03 840 0.219E-01 0.760E-02
DAV: 5 -0.207715450113E+03 -0.13368E-03 -0.12566E-03 848 0.107E-01 0.585E-02
DAV: 6 -0.207715429181E+03 0.20932E-04 -0.35974E-04 952 0.713E-02 0.268E-02
DAV: 7 -0.207715437043E+03 -0.78620E-05 -0.85605E-05 796 0.279E-02
43 F= -.20771544E+03 E0= -.20771613E+03 d E =-.212539E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207720638085E+03 -0.52089E-02 -0.97943E-01 736 0.341E+00 0.257E-01
DAV: 2 -0.207723554231E+03 -0.29161E-02 -0.32272E-02 828 0.536E-01 0.131E-01
DAV: 3 -0.207723482093E+03 0.72139E-04 -0.49352E-04 944 0.815E-02 0.825E-02
DAV: 4 -0.207723506155E+03 -0.24062E-04 -0.42253E-04 872 0.835E-02 0.181E-02
DAV: 5 -0.207723523933E+03 -0.17778E-04 -0.16844E-04 832 0.394E-02 0.201E-02
DAV: 6 -0.207723522917E+03 0.10165E-05 -0.37107E-05 736 0.235E-02
44 F= -.20772352E+03 E0= -.20772422E+03 d E =-.808587E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207712454005E+03 0.11070E-01 -0.87754E+00 736 0.102E+01 0.770E-01
DAV: 2 -0.207738407600E+03 -0.25954E-01 -0.28823E-01 828 0.159E+00 0.392E-01
DAV: 3 -0.207737609547E+03 0.79805E-03 -0.43748E-03 936 0.245E-01 0.247E-01
DAV: 4 -0.207737719647E+03 -0.11010E-03 -0.42083E-03 896 0.265E-01 0.613E-02
DAV: 5 -0.207737846254E+03 -0.12661E-03 -0.16042E-03 812 0.122E-01 0.651E-02
DAV: 6 -0.207737814661E+03 0.31593E-04 -0.35083E-04 904 0.693E-02 0.292E-02
DAV: 7 -0.207737821422E+03 -0.67613E-05 -0.62078E-05 728 0.251E-02
45 F= -.20773782E+03 E0= -.20773852E+03 d E =-.223844E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207734434069E+03 0.33806E-02 -0.17075E+00 736 0.450E+00 0.338E-01
DAV: 2 -0.207739411821E+03 -0.49778E-02 -0.55378E-02 820 0.702E-01 0.173E-01
DAV: 3 -0.207739260530E+03 0.15129E-03 -0.86050E-04 936 0.109E-01 0.109E-01
DAV: 4 -0.207739292064E+03 -0.31534E-04 -0.82165E-04 888 0.115E-01 0.271E-02
DAV: 5 -0.207739318591E+03 -0.26528E-04 -0.30123E-04 820 0.538E-02 0.285E-02
DAV: 6 -0.207739315508E+03 0.30839E-05 -0.89765E-05 848 0.357E-02
46 F= -.20773932E+03 E0= -.20774001E+03 d E =-.238785E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207748703215E+03 -0.93846E-02 -0.28167E+00 736 0.584E+00 0.430E-01
DAV: 2 -0.207756897970E+03 -0.81948E-02 -0.91322E-02 832 0.931E-01 0.235E-01
DAV: 3 -0.207756563526E+03 0.33444E-03 -0.18713E-03 960 0.177E-01 0.149E-01
DAV: 4 -0.207756620125E+03 -0.56599E-04 -0.16475E-03 856 0.151E-01 0.493E-02
DAV: 5 -0.207756643986E+03 -0.23860E-04 -0.40345E-04 872 0.735E-02 0.326E-02
DAV: 6 -0.207756653236E+03 -0.92501E-05 -0.18632E-04 872 0.488E-02 0.157E-02
DAV: 7 -0.207756653787E+03 -0.55129E-06 -0.19175E-05 624 0.155E-02
47 F= -.20775665E+03 E0= -.20775735E+03 d E =-.173383E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207716080061E+03 0.40573E-01 -0.18261E+01 736 0.148E+01 0.109E+00
DAV: 2 -0.207768987955E+03 -0.52908E-01 -0.58826E-01 820 0.235E+00 0.603E-01
DAV: 3 -0.207766414305E+03 0.25737E-02 -0.11315E-02 960 0.444E-01 0.382E-01
DAV: 4 -0.207766638474E+03 -0.22417E-03 -0.11588E-02 856 0.394E-01 0.130E-01
DAV: 5 -0.207766699294E+03 -0.60820E-04 -0.28345E-03 880 0.197E-01 0.771E-02
DAV: 6 -0.207766778546E+03 -0.79252E-04 -0.98088E-04 840 0.104E-01 0.365E-02
DAV: 7 -0.207766777811E+03 0.73424E-06 -0.63492E-05 824 0.323E-02
48 F= -.20776678E+03 E0= -.20776747E+03 d E =-.274623E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207764283139E+03 0.24954E-02 -0.17194E+00 736 0.453E+00 0.330E-01
DAV: 2 -0.207769191615E+03 -0.49085E-02 -0.54554E-02 820 0.711E-01 0.186E-01
DAV: 3 -0.207768954194E+03 0.23742E-03 -0.10371E-03 944 0.135E-01 0.119E-01
DAV: 4 -0.207769012999E+03 -0.58805E-04 -0.13965E-03 844 0.133E-01 0.430E-02
DAV: 5 -0.207769015155E+03 -0.21554E-05 -0.28704E-04 856 0.622E-02 0.312E-02
DAV: 6 -0.207769023103E+03 -0.79482E-05 -0.25655E-04 868 0.562E-02 0.166E-02
DAV: 7 -0.207769020549E+03 0.25541E-05 -0.26702E-05 616 0.202E-02
49 F= -.20776902E+03 E0= -.20776971E+03 d E =-.297050E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207776795311E+03 -0.77722E-02 -0.42292E+00 736 0.688E+00 0.499E-01
DAV: 2 -0.207789008465E+03 -0.12213E-01 -0.13806E-01 820 0.109E+00 0.279E-01
DAV: 3 -0.207788450665E+03 0.55780E-03 -0.27269E-03 928 0.177E-01 0.182E-01
DAV: 4 -0.207788376324E+03 0.74341E-04 -0.25302E-03 832 0.187E-01 0.560E-02
DAV: 5 -0.207788435714E+03 -0.59390E-04 -0.80998E-04 864 0.881E-02 0.472E-02
DAV: 6 -0.207788423619E+03 0.12095E-04 -0.25842E-04 920 0.612E-02 0.210E-02
DAV: 7 -0.207788426470E+03 -0.28511E-05 -0.54302E-05 716 0.237E-02
50 F= -.20778843E+03 E0= -.20778912E+03 d E =-.194059E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207751819270E+03 0.36604E-01 -0.19137E+01 736 0.146E+01 0.106E+00
DAV: 2 -0.207808168766E+03 -0.56349E-01 -0.63193E-01 820 0.230E+00 0.598E-01
DAV: 3 -0.207805212239E+03 0.29565E-02 -0.11078E-02 952 0.372E-01 0.389E-01
DAV: 4 -0.207804905114E+03 0.30712E-03 -0.13486E-02 832 0.414E-01 0.122E-01
DAV: 5 -0.207805029787E+03 -0.12467E-03 -0.37143E-03 848 0.192E-01 0.959E-02
DAV: 6 -0.207805003643E+03 0.26144E-04 -0.10127E-03 848 0.110E-01 0.389E-02
DAV: 7 -0.207805016524E+03 -0.12881E-04 -0.12273E-04 828 0.380E-02 0.194E-02
DAV: 8 -0.207805038302E+03 -0.21778E-04 -0.52167E-05 772 0.257E-02 0.670E-03
DAV: 9 -0.207805045913E+03 -0.76109E-05 -0.90745E-06 520 0.107E-02
51 F= -.20780505E+03 E0= -.20780573E+03 d E =-.360254E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207803812423E+03 0.12259E-02 -0.89438E+00 736 0.102E+01 0.721E-01
DAV: 2 -0.207828109859E+03 -0.24297E-01 -0.27218E-01 824 0.159E+00 0.376E-01
DAV: 3 -0.207827131731E+03 0.97813E-03 -0.48534E-03 968 0.264E-01 0.241E-01
DAV: 4 -0.207827043570E+03 0.88161E-04 -0.33861E-03 880 0.239E-01 0.598E-02
DAV: 5 -0.207827213464E+03 -0.16989E-03 -0.14002E-03 840 0.116E-01 0.551E-02
DAV: 6 -0.207827202770E+03 0.10694E-04 -0.31148E-04 928 0.727E-02 0.273E-02
DAV: 7 -0.207827208237E+03 -0.54672E-05 -0.56749E-05 736 0.276E-02
52 F= -.20782721E+03 E0= -.20782789E+03 d E =-.221623E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207812108659E+03 0.15094E-01 -0.85077E+00 736 0.992E+00 0.702E-01
DAV: 2 -0.207834986309E+03 -0.22878E-01 -0.25666E-01 824 0.153E+00 0.365E-01
DAV: 3 -0.207834063376E+03 0.92293E-03 -0.45527E-03 976 0.256E-01 0.234E-01
DAV: 4 -0.207833962728E+03 0.10065E-03 -0.32599E-03 880 0.232E-01 0.573E-02
DAV: 5 -0.207834120200E+03 -0.15747E-03 -0.13120E-03 832 0.112E-01 0.532E-02
DAV: 6 -0.207834112045E+03 0.81550E-05 -0.29409E-04 920 0.704E-02 0.266E-02
DAV: 7 -0.207834117297E+03 -0.52527E-05 -0.51466E-05 724 0.268E-02
53 F= -.20783412E+03 E0= -.20783480E+03 d E =-.290714E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207832868159E+03 0.12439E-02 -0.70474E+00 736 0.890E+00 0.615E-01
DAV: 2 -0.207851952586E+03 -0.19084E-01 -0.21103E-01 784 0.134E+00 0.320E-01
DAV: 3 -0.207851183501E+03 0.76909E-03 -0.30541E-03 968 0.209E-01 0.205E-01
DAV: 4 -0.207851062871E+03 0.12063E-03 -0.25077E-03 888 0.200E-01 0.441E-02
DAV: 5 -0.207851181583E+03 -0.11871E-03 -0.10594E-03 840 0.981E-02 0.411E-02
DAV: 6 -0.207851181887E+03 -0.30318E-06 -0.11643E-04 856 0.405E-02 0.214E-02
DAV: 7 -0.207851182949E+03 -0.10619E-05 -0.16556E-05 536 0.160E-02
54 F= -.20785118E+03 E0= -.20785186E+03 d E =-.170657E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207835245181E+03 0.15937E-01 -0.87276E+00 736 0.988E+00 0.682E-01
DAV: 2 -0.207858674963E+03 -0.23430E-01 -0.25917E-01 780 0.148E+00 0.355E-01
DAV: 3 -0.207857712723E+03 0.96224E-03 -0.37091E-03 960 0.231E-01 0.228E-01
DAV: 4 -0.207857523790E+03 0.18893E-03 -0.32462E-03 896 0.227E-01 0.501E-02
DAV: 5 -0.207857660090E+03 -0.13630E-03 -0.13033E-03 832 0.110E-01 0.460E-02
DAV: 6 -0.207857660201E+03 -0.11022E-06 -0.14881E-04 896 0.442E-02 0.241E-02
DAV: 7 -0.207857660471E+03 -0.27017E-06 -0.19125E-05 540 0.175E-02
55 F= -.20785766E+03 E0= -.20785834E+03 d E =-.235432E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207853961207E+03 0.36990E-02 -0.81139E+00 736 0.953E+00 0.652E-01
DAV: 2 -0.207876607150E+03 -0.22646E-01 -0.25205E-01 788 0.150E+00 0.346E-01
DAV: 3 -0.207875667453E+03 0.93970E-03 -0.42881E-03 936 0.237E-01 0.228E-01
DAV: 4 -0.207875374305E+03 0.29315E-03 -0.38458E-03 872 0.243E-01 0.661E-02
DAV: 5 -0.207875477883E+03 -0.10358E-03 -0.13503E-03 832 0.116E-01 0.542E-02
DAV: 6 -0.207875470870E+03 0.70133E-05 -0.28362E-04 880 0.604E-02 0.254E-02
DAV: 7 -0.207875473041E+03 -0.21713E-05 -0.37310E-05 652 0.216E-02
56 F= -.20787547E+03 E0= -.20787615E+03 d E =-.178126E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207861442031E+03 0.14029E-01 -0.76055E+00 736 0.925E+00 0.629E-01
DAV: 2 -0.207882463135E+03 -0.21021E-01 -0.23379E-01 788 0.145E+00 0.332E-01
DAV: 3 -0.207881598276E+03 0.86486E-03 -0.37911E-03 936 0.223E-01 0.219E-01
DAV: 4 -0.207881316116E+03 0.28216E-03 -0.37645E-03 872 0.242E-01 0.630E-02
DAV: 5 -0.207881410072E+03 -0.93956E-04 -0.13120E-03 832 0.115E-01 0.541E-02
DAV: 6 -0.207881400784E+03 0.92883E-05 -0.26868E-04 872 0.582E-02 0.251E-02
DAV: 7 -0.207881404080E+03 -0.32961E-05 -0.34687E-05 636 0.206E-02
57 F= -.20788140E+03 E0= -.20788208E+03 d E =-.237436E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207881959801E+03 -0.55902E-03 -0.35160E+00 736 0.627E+00 0.418E-01
DAV: 2 -0.207891760200E+03 -0.98004E-02 -0.10852E-01 832 0.968E-01 0.231E-01
DAV: 3 -0.207891268974E+03 0.49123E-03 -0.21979E-03 944 0.180E-01 0.150E-01
DAV: 4 -0.207891120378E+03 0.14860E-03 -0.10398E-03 872 0.123E-01 0.455E-02
DAV: 5 -0.207891180151E+03 -0.59774E-04 -0.46421E-04 872 0.680E-02 0.250E-02
DAV: 6 -0.207891186587E+03 -0.64355E-05 -0.61031E-05 744 0.301E-02
58 F= -.20789119E+03 E0= -.20789187E+03 d E =-.978251E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207890651150E+03 0.52900E-03 -0.48281E-01 736 0.233E+00 0.160E-01
DAV: 2 -0.207892007229E+03 -0.13561E-02 -0.15000E-02 832 0.361E-01 0.835E-02
DAV: 3 -0.207891943686E+03 0.63543E-04 -0.28352E-04 952 0.654E-02 0.535E-02
DAV: 4 -0.207891931866E+03 0.11820E-04 -0.15271E-04 864 0.458E-02 0.154E-02
DAV: 5 -0.207891942092E+03 -0.10226E-04 -0.58868E-05 728 0.245E-02 0.910E-03
DAV: 6 -0.207891944874E+03 -0.27823E-05 -0.69910E-06 416 0.104E-02
59 F= -.20789194E+03 E0= -.20789263E+03 d E =-.105408E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207894077749E+03 -0.21357E-02 -0.21998E+00 736 0.496E+00 0.316E-01
DAV: 2 -0.207899792059E+03 -0.57143E-02 -0.62933E-02 808 0.728E-01 0.167E-01
DAV: 3 -0.207899561909E+03 0.23015E-03 -0.10999E-03 952 0.123E-01 0.109E-01
DAV: 4 -0.207899485429E+03 0.76481E-04 -0.65212E-04 864 0.100E-01 0.336E-02
DAV: 5 -0.207899518614E+03 -0.33186E-04 -0.28083E-04 848 0.500E-02 0.240E-02
DAV: 6 -0.207899520122E+03 -0.15079E-05 -0.88050E-05 768 0.358E-02
60 F= -.20789952E+03 E0= -.20790020E+03 d E =-.757525E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207870437996E+03 0.29081E-01 -0.12543E+01 736 0.118E+01 0.757E-01
DAV: 2 -0.207903377194E+03 -0.32939E-01 -0.36296E-01 808 0.172E+00 0.401E-01
DAV: 3 -0.207902135192E+03 0.12420E-02 -0.63050E-03 920 0.294E-01 0.260E-01
DAV: 4 -0.207901658625E+03 0.47657E-03 -0.33239E-03 872 0.223E-01 0.770E-02
DAV: 5 -0.207901842130E+03 -0.18351E-03 -0.15160E-03 840 0.114E-01 0.499E-02
DAV: 6 -0.207901846911E+03 -0.47806E-05 -0.22209E-04 872 0.547E-02 0.286E-02
DAV: 7 -0.207901847047E+03 -0.13571E-06 -0.25707E-05 576 0.209E-02
61 F= -.20790185E+03 E0= -.20790253E+03 d E =-.990217E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207898672678E+03 0.31742E-02 -0.20530E+00 736 0.477E+00 0.304E-01
DAV: 2 -0.207903984422E+03 -0.53117E-02 -0.58370E-02 812 0.697E-01 0.164E-01
DAV: 3 -0.207903748260E+03 0.23616E-03 -0.97105E-04 912 0.121E-01 0.108E-01
DAV: 4 -0.207903706497E+03 0.41763E-04 -0.10110E-03 860 0.117E-01 0.372E-02
DAV: 5 -0.207903724125E+03 -0.17628E-04 -0.27053E-04 824 0.526E-02 0.280E-02
DAV: 6 -0.207903727641E+03 -0.35153E-05 -0.15672E-04 856 0.454E-02 0.134E-02
DAV: 7 -0.207903726515E+03 0.11258E-05 -0.18133E-05 564 0.162E-02
62 F= -.20790373E+03 E0= -.20790441E+03 d E =-.117816E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207905853948E+03 -0.21263E-02 -0.17826E+00 736 0.462E+00 0.292E-01
DAV: 2 -0.207910655895E+03 -0.48019E-02 -0.53007E-02 784 0.710E-01 0.148E-01
DAV: 3 -0.207910468043E+03 0.18785E-03 -0.90809E-04 968 0.109E-01 0.987E-02
DAV: 4 -0.207910378609E+03 0.89434E-04 -0.53823E-04 872 0.967E-02 0.270E-02
DAV: 5 -0.207910407978E+03 -0.29370E-04 -0.27489E-04 832 0.516E-02 0.243E-02
DAV: 6 -0.207910404287E+03 0.36913E-05 -0.52927E-05 672 0.281E-02
63 F= -.20791040E+03 E0= -.20791109E+03 d E =-.667777E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207893135999E+03 0.17272E-01 -0.89026E+00 736 0.103E+01 0.663E-01
DAV: 2 -0.207917357462E+03 -0.24221E-01 -0.26796E-01 792 0.159E+00 0.329E-01
DAV: 3 -0.207916510118E+03 0.84734E-03 -0.43463E-03 976 0.241E-01 0.218E-01
DAV: 4 -0.207916077878E+03 0.43224E-03 -0.27497E-03 880 0.214E-01 0.562E-02
DAV: 5 -0.207916211226E+03 -0.13335E-03 -0.12752E-03 832 0.113E-01 0.486E-02
DAV: 6 -0.207916204315E+03 0.69112E-05 -0.18754E-04 864 0.495E-02 0.272E-02
DAV: 7 -0.207916204538E+03 -0.22289E-06 -0.23407E-05 548 0.183E-02
64 F= -.20791620E+03 E0= -.20791689E+03 d E =-.124780E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207917967631E+03 -0.17633E-02 -0.16827E+00 736 0.434E+00 0.269E-01
DAV: 2 -0.207922248630E+03 -0.42810E-02 -0.47068E-02 812 0.623E-01 0.144E-01
DAV: 3 -0.207922090200E+03 0.15843E-03 -0.78821E-04 928 0.997E-02 0.939E-02
DAV: 4 -0.207922027753E+03 0.62447E-04 -0.37902E-04 856 0.770E-02 0.237E-02
DAV: 5 -0.207922058213E+03 -0.30460E-04 -0.22417E-04 832 0.417E-02 0.185E-02
DAV: 6 -0.207922057506E+03 0.70642E-06 -0.20665E-05 576 0.186E-02
65 F= -.20792206E+03 E0= -.20792274E+03 d E =-.585297E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207909620042E+03 0.12438E-01 -0.70043E+00 736 0.886E+00 0.551E-01
DAV: 2 -0.207927500841E+03 -0.17881E-01 -0.19634E-01 812 0.125E+00 0.291E-01
DAV: 3 -0.207926851574E+03 0.64927E-03 -0.29908E-03 928 0.197E-01 0.190E-01
DAV: 4 -0.207926595240E+03 0.25633E-03 -0.17103E-03 856 0.157E-01 0.414E-02
DAV: 5 -0.207926707484E+03 -0.11224E-03 -0.84020E-04 832 0.812E-02 0.334E-02
DAV: 6 -0.207926706336E+03 0.11478E-05 -0.41262E-05 672 0.275E-02
66 F= -.20792671E+03 E0= -.20792739E+03 d E =-.105018E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207927987348E+03 -0.12799E-02 -0.15437E+00 736 0.421E+00 0.268E-01
DAV: 2 -0.207932058059E+03 -0.40707E-02 -0.45164E-02 824 0.620E-01 0.136E-01
DAV: 3 -0.207931930798E+03 0.12726E-03 -0.73692E-04 952 0.960E-02 0.896E-02
DAV: 4 -0.207931883110E+03 0.47688E-04 -0.50326E-04 872 0.875E-02 0.231E-02
DAV: 5 -0.207931907829E+03 -0.24718E-04 -0.22396E-04 832 0.438E-02 0.211E-02
DAV: 6 -0.207931906524E+03 0.13048E-05 -0.40896E-05 720 0.234E-02
67 F= -.20793191E+03 E0= -.20793258E+03 d E =-.520019E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207925586718E+03 0.63211E-02 -0.35108E+00 736 0.635E+00 0.403E-01
DAV: 2 -0.207934853411E+03 -0.92667E-02 -0.10223E-01 824 0.932E-01 0.205E-01
DAV: 3 -0.207934526700E+03 0.32671E-03 -0.16255E-03 952 0.143E-01 0.136E-01
DAV: 4 -0.207934402591E+03 0.12411E-03 -0.11853E-03 864 0.134E-01 0.340E-02
DAV: 5 -0.207934455197E+03 -0.52606E-04 -0.50542E-04 832 0.666E-02 0.316E-02
DAV: 6 -0.207934450515E+03 0.46825E-05 -0.89746E-05 808 0.352E-02
68 F= -.20793445E+03 E0= -.20793513E+03 d E =-.774418E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207934900552E+03 -0.44535E-03 -0.15882E+00 736 0.438E+00 0.280E-01
DAV: 2 -0.207939241362E+03 -0.43408E-02 -0.47694E-02 816 0.662E-01 0.141E-01
DAV: 3 -0.207939121066E+03 0.12030E-03 -0.70095E-04 976 0.975E-02 0.927E-02
DAV: 4 -0.207939086031E+03 0.35036E-04 -0.56144E-04 864 0.974E-02 0.216E-02
DAV: 5 -0.207939112375E+03 -0.26344E-04 -0.23375E-04 816 0.471E-02 0.226E-02
DAV: 6 -0.207939113021E+03 -0.64606E-06 -0.60472E-05 736 0.291E-02
69 F= -.20793911E+03 E0= -.20793979E+03 d E =-.466251E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207927858506E+03 0.11254E-01 -0.56511E+00 736 0.826E+00 0.521E-01
DAV: 2 -0.207943190357E+03 -0.15332E-01 -0.16862E-01 820 0.124E+00 0.266E-01
DAV: 3 -0.207942731502E+03 0.45885E-03 -0.23655E-03 984 0.180E-01 0.176E-01
DAV: 4 -0.207942566703E+03 0.16480E-03 -0.20433E-03 864 0.184E-01 0.389E-02
DAV: 5 -0.207942647669E+03 -0.80967E-04 -0.83026E-04 832 0.901E-02 0.402E-02
DAV: 6 -0.207942649319E+03 -0.16494E-05 -0.16910E-04 872 0.474E-02 0.204E-02
DAV: 7 -0.207942654508E+03 -0.51895E-05 -0.22527E-05 580 0.164E-02
70 F= -.20794265E+03 E0= -.20794333E+03 d E =-.820399E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207944351185E+03 -0.17019E-02 -0.14075E+00 736 0.415E+00 0.277E-01
DAV: 2 -0.207948590088E+03 -0.42389E-02 -0.47360E-02 832 0.655E-01 0.145E-01
DAV: 3 -0.207948478719E+03 0.11137E-03 -0.11037E-03 936 0.116E-01 0.956E-02
DAV: 4 -0.207948432996E+03 0.45723E-04 -0.34502E-04 896 0.831E-02 0.333E-02
DAV: 5 -0.207948469921E+03 -0.36925E-04 -0.25841E-04 824 0.478E-02 0.257E-02
DAV: 6 -0.207948465394E+03 0.45267E-05 -0.61991E-05 728 0.320E-02
71 F= -.20794847E+03 E0= -.20794914E+03 d E =-.581089E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207943248450E+03 0.52215E-02 -0.24372E+00 736 0.547E+00 0.367E-01
DAV: 2 -0.207950557746E+03 -0.73093E-02 -0.81629E-02 832 0.860E-01 0.189E-01
DAV: 3 -0.207950381547E+03 0.17620E-03 -0.17915E-03 936 0.148E-01 0.125E-01
DAV: 4 -0.207950300921E+03 0.80627E-04 -0.65659E-04 896 0.113E-01 0.411E-02
DAV: 5 -0.207950358395E+03 -0.57474E-04 -0.41841E-04 832 0.611E-02 0.332E-02
DAV: 6 -0.207950350386E+03 0.80093E-05 -0.11938E-04 880 0.444E-02 0.169E-02
DAV: 7 -0.207950354549E+03 -0.41629E-05 -0.36542E-05 680 0.179E-02
72 F= -.20795035E+03 E0= -.20795103E+03 d E =-.770004E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207952100570E+03 -0.17502E-02 -0.48745E-01 736 0.247E+00 0.162E-01
DAV: 2 -0.207953524989E+03 -0.14244E-02 -0.15595E-02 828 0.380E-01 0.820E-02
DAV: 3 -0.207953490797E+03 0.34192E-04 -0.22698E-04 968 0.559E-02 0.546E-02
DAV: 4 -0.207953487609E+03 0.31884E-05 -0.26575E-04 880 0.671E-02 0.154E-02
DAV: 5 -0.207953493892E+03 -0.62826E-05 -0.96249E-05 760 0.313E-02
73 F= -.20795349E+03 E0= -.20795417E+03 d E =-.313934E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207952547699E+03 0.93991E-03 -0.17670E+00 736 0.470E+00 0.311E-01
DAV: 2 -0.207957702346E+03 -0.51546E-02 -0.56604E-02 828 0.724E-01 0.156E-01
DAV: 3 -0.207957568395E+03 0.13395E-03 -0.85483E-04 968 0.109E-01 0.105E-01
DAV: 4 -0.207957556934E+03 0.11461E-04 -0.10630E-03 880 0.137E-01 0.327E-02
DAV: 5 -0.207957578751E+03 -0.21816E-04 -0.38061E-04 832 0.625E-02 0.376E-02
DAV: 6 -0.207957564192E+03 0.14559E-04 -0.95945E-05 808 0.369E-02 0.179E-02
DAV: 7 -0.207957564037E+03 0.15524E-06 -0.36577E-05 632 0.194E-02
74 F= -.20795756E+03 E0= -.20795824E+03 d E =-.720949E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207938204074E+03 0.19360E-01 -0.70723E+00 736 0.941E+00 0.613E-01
DAV: 2 -0.207958946263E+03 -0.20742E-01 -0.22596E-01 828 0.144E+00 0.315E-01
DAV: 3 -0.207958328890E+03 0.61737E-03 -0.33290E-03 968 0.214E-01 0.211E-01
DAV: 4 -0.207958202804E+03 0.12609E-03 -0.41228E-03 864 0.265E-01 0.636E-02
DAV: 5 -0.207958276544E+03 -0.73741E-04 -0.14291E-03 832 0.123E-01 0.696E-02
DAV: 6 -0.207958231391E+03 0.45154E-04 -0.38817E-04 896 0.731E-02 0.316E-02
DAV: 7 -0.207958232307E+03 -0.91625E-06 -0.10840E-04 760 0.334E-02 0.150E-02
DAV: 8 -0.207958234060E+03 -0.17526E-05 -0.14975E-05 520 0.141E-02
75 F= -.20795823E+03 E0= -.20795892E+03 d E =-.787951E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207955587381E+03 0.26449E-02 -0.12901E+00 736 0.402E+00 0.262E-01
DAV: 2 -0.207959347528E+03 -0.37601E-02 -0.41329E-02 828 0.617E-01 0.136E-01
DAV: 3 -0.207959223481E+03 0.12405E-03 -0.61190E-04 968 0.959E-02 0.909E-02
DAV: 4 -0.207959217897E+03 0.55836E-05 -0.92032E-04 896 0.123E-01 0.322E-02
DAV: 5 -0.207959229318E+03 -0.11421E-04 -0.29506E-04 816 0.556E-02 0.342E-02
DAV: 6 -0.207959218481E+03 0.10837E-04 -0.94114E-05 784 0.355E-02 0.138E-02
DAV: 7 -0.207959219370E+03 -0.88941E-06 -0.25936E-05 608 0.163E-02
76 F= -.20795922E+03 E0= -.20795990E+03 d E =-.886482E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207962726839E+03 -0.35084E-02 -0.48952E-01 736 0.256E+00 0.187E-01
DAV: 2 -0.207964321394E+03 -0.15946E-02 -0.18124E-02 856 0.426E-01 0.999E-02
DAV: 3 -0.207964246066E+03 0.75328E-04 -0.45825E-04 928 0.873E-02 0.633E-02
DAV: 4 -0.207964220293E+03 0.25773E-04 -0.26722E-04 848 0.641E-02 0.225E-02
DAV: 5 -0.207964222332E+03 -0.20385E-05 -0.65270E-05 792 0.322E-02
77 F= -.20796422E+03 E0= -.20796490E+03 d E =-.500296E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207964258877E+03 -0.38584E-04 -0.61137E-01 736 0.286E+00 0.212E-01
DAV: 2 -0.207966265502E+03 -0.20066E-02 -0.22803E-02 852 0.477E-01 0.111E-01
DAV: 3 -0.207966169468E+03 0.96033E-04 -0.55505E-04 928 0.971E-02 0.699E-02
DAV: 4 -0.207966142262E+03 0.27206E-04 -0.35498E-04 832 0.722E-02 0.246E-02
DAV: 5 -0.207966145945E+03 -0.36831E-05 -0.78341E-05 784 0.367E-02
78 F= -.20796615E+03 E0= -.20796683E+03 d E =-.692658E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207968582759E+03 -0.24405E-02 -0.29333E-01 736 0.193E+00 0.137E-01
DAV: 2 -0.207969535702E+03 -0.95294E-03 -0.10729E-02 856 0.317E-01 0.725E-02
DAV: 3 -0.207969501310E+03 0.34392E-04 -0.26922E-04 904 0.604E-02 0.460E-02
DAV: 4 -0.207969495322E+03 0.59884E-05 -0.10297E-04 808 0.412E-02 0.178E-02
DAV: 5 -0.207969504505E+03 -0.91829E-05 -0.55524E-05 724 0.242E-02
79 F= -.20796950E+03 E0= -.20797018E+03 d E =-.335856E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207967889677E+03 0.16056E-02 -0.17637E+00 736 0.474E+00 0.334E-01
DAV: 2 -0.207973573754E+03 -0.56841E-02 -0.64043E-02 852 0.774E-01 0.177E-01
DAV: 3 -0.207973363044E+03 0.21071E-03 -0.16314E-03 920 0.148E-01 0.113E-01
DAV: 4 -0.207973304978E+03 0.58066E-04 -0.58019E-04 856 0.100E-01 0.440E-02
DAV: 5 -0.207973343369E+03 -0.38392E-04 -0.33635E-04 856 0.586E-02 0.260E-02
DAV: 6 -0.207973343995E+03 -0.62611E-06 -0.73879E-05 848 0.350E-02
80 F= -.20797334E+03 E0= -.20797402E+03 d E =-.719805E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207976009560E+03 -0.26662E-02 -0.22942E-01 736 0.173E+00 0.126E-01
DAV: 2 -0.207976753844E+03 -0.74428E-03 -0.82000E-03 848 0.283E-01 0.593E-02
DAV: 3 -0.207976733951E+03 0.19893E-04 -0.13203E-04 976 0.447E-02 0.380E-02
DAV: 4 -0.207976736311E+03 -0.23605E-05 -0.11337E-04 856 0.464E-02 0.100E-02
DAV: 5 -0.207976740804E+03 -0.44921E-05 -0.45447E-05 696 0.224E-02
81 F= -.20797674E+03 E0= -.20797742E+03 d E =-.339681E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207975794864E+03 0.94145E-03 -0.20657E+00 736 0.519E+00 0.371E-01
DAV: 2 -0.207982398807E+03 -0.66039E-02 -0.73373E-02 848 0.848E-01 0.179E-01
DAV: 3 -0.207982163143E+03 0.23566E-03 -0.12381E-03 976 0.134E-01 0.116E-01
DAV: 4 -0.207982085902E+03 0.77241E-04 -0.10104E-03 912 0.142E-01 0.301E-02
DAV: 5 -0.207982119439E+03 -0.33536E-04 -0.43681E-04 832 0.677E-02 0.334E-02
DAV: 6 -0.207982108852E+03 0.10586E-04 -0.96636E-05 832 0.382E-02 0.163E-02
DAV: 7 -0.207982108199E+03 0.65349E-06 -0.24423E-05 568 0.163E-02
82 F= -.20798211E+03 E0= -.20798279E+03 d E =-.876420E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207981931995E+03 0.17686E-03 -0.11868E-01 736 0.125E+00 0.892E-02
DAV: 2 -0.207982316373E+03 -0.38438E-03 -0.42632E-03 848 0.204E-01 0.425E-02
DAV: 3 -0.207982302493E+03 0.13880E-04 -0.67968E-05 944 0.321E-02 0.275E-02
DAV: 4 -0.207982298772E+03 0.37204E-05 -0.55870E-05 800 0.331E-02
83 F= -.20798230E+03 E0= -.20798298E+03 d E =-.895478E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207983961459E+03 -0.16590E-02 -0.63492E-01 736 0.292E+00 0.203E-01
DAV: 2 -0.207985924872E+03 -0.19634E-02 -0.22422E-02 856 0.482E-01 0.105E-01
DAV: 3 -0.207985864929E+03 0.59943E-04 -0.49471E-04 904 0.862E-02 0.684E-02
DAV: 4 -0.207985868693E+03 -0.37633E-05 -0.44209E-04 864 0.868E-02 0.272E-02
DAV: 5 -0.207985874106E+03 -0.54130E-05 -0.10893E-04 776 0.380E-02 0.231E-02
DAV: 6 -0.207985871989E+03 0.21171E-05 -0.88272E-05 808 0.378E-02
84 F= -.20798587E+03 E0= -.20798655E+03 d E =-.357322E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207986068888E+03 -0.19478E-03 -0.36600E-01 736 0.222E+00 0.153E-01
DAV: 2 -0.207987213894E+03 -0.11450E-02 -0.12910E-02 856 0.365E-01 0.789E-02
DAV: 3 -0.207987179531E+03 0.34363E-04 -0.27097E-04 904 0.638E-02 0.510E-02
DAV: 4 -0.207987181239E+03 -0.17082E-05 -0.21512E-04 864 0.593E-02 0.190E-02
DAV: 5 -0.207987183906E+03 -0.26668E-05 -0.52709E-05 704 0.269E-02
85 F= -.20798718E+03 E0= -.20798786E+03 d E =-.488513E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207981811135E+03 0.53701E-02 -0.14613E+00 736 0.443E+00 0.304E-01
DAV: 2 -0.207986381770E+03 -0.45706E-02 -0.51764E-02 856 0.730E-01 0.160E-01
DAV: 3 -0.207986221054E+03 0.16072E-03 -0.10814E-03 904 0.129E-01 0.104E-01
DAV: 4 -0.207986223636E+03 -0.25824E-05 -0.10372E-03 864 0.130E-01 0.413E-02
DAV: 5 -0.207986230090E+03 -0.64539E-05 -0.23939E-04 816 0.569E-02 0.326E-02
DAV: 6 -0.207986228986E+03 0.11045E-05 -0.20283E-04 848 0.564E-02 0.123E-02
DAV: 7 -0.207986229490E+03 -0.50432E-06 -0.29901E-05 632 0.197E-02
86 F= -.20798623E+03 E0= -.20798691E+03 d E =-.393072E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207985188333E+03 0.10407E-02 -0.75067E-01 736 0.317E+00 0.215E-01
DAV: 2 -0.207987487081E+03 -0.22987E-02 -0.26256E-02 856 0.522E-01 0.114E-01
DAV: 3 -0.207987408482E+03 0.78599E-04 -0.56684E-04 904 0.913E-02 0.752E-02
DAV: 4 -0.207987400786E+03 0.76966E-05 -0.48952E-04 872 0.914E-02 0.285E-02
DAV: 5 -0.207987407322E+03 -0.65364E-05 -0.13029E-04 784 0.402E-02 0.235E-02
DAV: 6 -0.207987404691E+03 0.26311E-05 -0.88018E-05 812 0.372E-02
87 F= -.20798740E+03 E0= -.20798808E+03 d E =-.510592E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207988396937E+03 -0.98961E-03 -0.10167E+00 736 0.368E+00 0.255E-01
DAV: 2 -0.207991707673E+03 -0.33107E-02 -0.36764E-02 828 0.607E-01 0.133E-01
DAV: 3 -0.207991545229E+03 0.16244E-03 -0.64570E-04 936 0.100E-01 0.877E-02
DAV: 4 -0.207991514203E+03 0.31026E-04 -0.75168E-04 856 0.109E-01 0.302E-02
DAV: 5 -0.207991522789E+03 -0.85869E-05 -0.20057E-04 832 0.494E-02 0.249E-02
DAV: 6 -0.207991521136E+03 0.16532E-05 -0.91852E-05 800 0.384E-02
88 F= -.20799152E+03 E0= -.20799220E+03 d E =-.411645E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207989826064E+03 0.16967E-02 -0.10130E+00 736 0.367E+00 0.259E-01
DAV: 2 -0.207993174198E+03 -0.33481E-02 -0.36968E-02 828 0.606E-01 0.132E-01
DAV: 3 -0.207993016985E+03 0.15721E-03 -0.61954E-04 936 0.992E-02 0.861E-02
DAV: 4 -0.207992996813E+03 0.20172E-04 -0.73913E-04 848 0.106E-01 0.295E-02
DAV: 5 -0.207993003465E+03 -0.66521E-05 -0.18600E-04 824 0.486E-02 0.230E-02
DAV: 6 -0.207993005406E+03 -0.19405E-05 -0.88553E-05 816 0.366E-02
89 F= -.20799301E+03 E0= -.20799369E+03 d E =-.560071E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207994081086E+03 -0.10776E-02 -0.83228E-01 736 0.331E+00 0.224E-01
DAV: 2 -0.207996728241E+03 -0.26472E-02 -0.28891E-02 856 0.537E-01 0.114E-01
DAV: 3 -0.207996659537E+03 0.68705E-04 -0.54417E-04 976 0.934E-02 0.732E-02
DAV: 4 -0.207996654511E+03 0.50260E-05 -0.26449E-04 880 0.676E-02 0.195E-02
DAV: 5 -0.207996668897E+03 -0.14386E-04 -0.10000E-04 824 0.328E-02 0.128E-02
DAV: 6 -0.207996670208E+03 -0.13110E-05 -0.20413E-05 584 0.180E-02
90 F= -.20799667E+03 E0= -.20799735E+03 d E =-.366480E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207995532733E+03 0.11362E-02 -0.73222E-01 736 0.311E+00 0.211E-01
DAV: 2 -0.207997862268E+03 -0.23295E-02 -0.25448E-02 856 0.504E-01 0.106E-01
DAV: 3 -0.207997799189E+03 0.63079E-04 -0.46123E-04 984 0.868E-02 0.678E-02
DAV: 4 -0.207997790369E+03 0.88204E-05 -0.23460E-04 872 0.642E-02 0.173E-02
DAV: 5 -0.207997801700E+03 -0.11331E-04 -0.91004E-05 808 0.309E-02 0.120E-02
DAV: 6 -0.207997802186E+03 -0.48579E-06 -0.16141E-05 544 0.156E-02
91 F= -.20799780E+03 E0= -.20799849E+03 d E =-.479678E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207998847472E+03 -0.10458E-02 -0.65014E-01 736 0.293E+00 0.199E-01
DAV: 2 -0.208000815382E+03 -0.19679E-02 -0.21821E-02 832 0.471E-01 0.986E-02
DAV: 3 -0.208000785826E+03 0.29555E-04 -0.42516E-04 904 0.735E-02 0.634E-02
DAV: 4 -0.208000783406E+03 0.24199E-05 -0.17803E-04 888 0.593E-02 0.195E-02
DAV: 5 -0.208000795244E+03 -0.11837E-04 -0.88289E-05 784 0.289E-02 0.143E-02
DAV: 6 -0.208000794368E+03 0.87519E-06 -0.21102E-05 584 0.168E-02
92 F= -.20800079E+03 E0= -.20800148E+03 d E =-.299218E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207998587767E+03 0.22075E-02 -0.12061E+00 736 0.399E+00 0.270E-01
DAV: 2 -0.208002256404E+03 -0.36686E-02 -0.40577E-02 832 0.642E-01 0.135E-01
DAV: 3 -0.208002195640E+03 0.60763E-04 -0.77875E-04 904 0.100E-01 0.870E-02
DAV: 4 -0.208002190472E+03 0.51680E-05 -0.34010E-04 880 0.817E-02 0.264E-02
DAV: 5 -0.208002212415E+03 -0.21943E-04 -0.16537E-04 816 0.396E-02 0.195E-02
DAV: 6 -0.208002211039E+03 0.13760E-05 -0.41304E-05 680 0.236E-02
93 F= -.20800221E+03 E0= -.20800290E+03 d E =-.440885E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.208002151740E+03 0.60675E-04 -0.89236E-01 736 0.348E+00 0.239E-01
DAV: 2 -0.208005159002E+03 -0.30073E-02 -0.32668E-02 808 0.584E-01 0.115E-01
DAV: 3 -0.208005074528E+03 0.84473E-04 -0.56228E-04 936 0.918E-02 0.750E-02
DAV: 4 -0.208005054524E+03 0.20004E-04 -0.33577E-04 872 0.808E-02 0.190E-02
DAV: 5 -0.208005073157E+03 -0.18633E-04 -0.15579E-04 792 0.403E-02 0.174E-02
DAV: 6 -0.208005072119E+03 0.10381E-05 -0.28853E-05 600 0.222E-02
94 F= -.20800507E+03 E0= -.20800576E+03 d E =-.286108E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.208001997521E+03 0.30756E-02 -0.13047E+00 736 0.420E+00 0.289E-01
DAV: 2 -0.208006393671E+03 -0.43961E-02 -0.47733E-02 812 0.706E-01 0.139E-01
DAV: 3 -0.208006266664E+03 0.12701E-03 -0.80987E-04 936 0.110E-01 0.907E-02
DAV: 4 -0.208006236601E+03 0.30063E-04 -0.50251E-04 872 0.987E-02 0.228E-02
DAV: 5 -0.208006262942E+03 -0.26341E-04 -0.23016E-04 808 0.490E-02 0.212E-02
DAV: 6 -0.208006261200E+03 0.17418E-05 -0.44425E-05 720 0.269E-02
95 F= -.20800626E+03 E0= -.20800695E+03 d E =-.405016E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.208007040808E+03 -0.77787E-03 -0.82716E-01 736 0.328E+00 0.231E-01
DAV: 2 -0.208009652033E+03 -0.26112E-02 -0.28241E-02 820 0.532E-01 0.119E-01
DAV: 3 -0.208009586378E+03 0.65654E-04 -0.57186E-04 960 0.955E-02 0.748E-02
DAV: 4 -0.208009611746E+03 -0.25368E-04 -0.43887E-04 848 0.792E-02 0.268E-02
DAV: 5 -0.208009616356E+03 -0.46098E-05 -0.93756E-05 800 0.381E-02
96 F= -.20800962E+03 E0= -.20801030E+03 d E =-.335516E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.208008067725E+03 0.15440E-02 -0.97717E-01 736 0.356E+00 0.251E-01
DAV: 2 -0.208011149096E+03 -0.30814E-02 -0.33316E-02 820 0.577E-01 0.129E-01
DAV: 3 -0.208011066404E+03 0.82692E-04 -0.66263E-04 968 0.104E-01 0.810E-02
DAV: 4 -0.208011101419E+03 -0.35015E-04 -0.57999E-04 848 0.907E-02 0.307E-02
DAV: 5 -0.208011103725E+03 -0.23061E-05 -0.11724E-04 808 0.432E-02 0.187E-02
DAV: 6 -0.208011112251E+03 -0.85262E-05 -0.94671E-05 848 0.336E-02
97 F= -.20801111E+03 E0= -.20801179E+03 d E =-.485105E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.208011347459E+03 -0.24373E-03 -0.83500E-01 736 0.329E+00 0.252E-01
DAV: 2 -0.208013977670E+03 -0.26302E-02 -0.30410E-02 824 0.556E-01 0.130E-01
DAV: 3 -0.208013931519E+03 0.46150E-04 -0.91232E-04 928 0.107E-01 0.841E-02
DAV: 4 -0.208013936309E+03 -0.47893E-05 -0.38619E-04 872 0.798E-02 0.315E-02
DAV: 5 -0.208013952402E+03 -0.16093E-04 -0.11949E-04 824 0.372E-02 0.187E-02
DAV: 6 -0.208013955549E+03 -0.31476E-05 -0.55816E-05 784 0.277E-02
98 F= -.20801396E+03 E0= -.20801464E+03 d E =-.284330E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.208013939214E+03 0.13187E-04 -0.17607E-02 736 0.478E-01 0.385E-02
DAV: 2 -0.208013999526E+03 -0.60312E-04 -0.66638E-04 832 0.818E-02 0.185E-02
DAV: 3 -0.208014000330E+03 -0.80398E-06 -0.15916E-05 512 0.155E-02
99 F= -.20801400E+03 E0= -.20801468E+03 d E =-.288808E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.208014237853E+03 -0.23833E-03 -0.73283E-01 736 0.308E+00 0.220E-01
DAV: 2 -0.208016673475E+03 -0.24356E-02 -0.26185E-02 824 0.512E-01 0.110E-01
DAV: 3 -0.208016627125E+03 0.46351E-04 -0.43336E-04 984 0.785E-02 0.706E-02
DAV: 4 -0.208016634317E+03 -0.71925E-05 -0.31408E-04 904 0.808E-02 0.181E-02
DAV: 5 -0.208016648204E+03 -0.13887E-04 -0.14235E-04 800 0.381E-02 0.183E-02
DAV: 6 -0.208016646240E+03 0.19636E-05 -0.29494E-05 640 0.230E-02
100 F= -.20801665E+03 E0= -.20801732E+03 d E =-.264591E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.208013142825E+03 0.35054E-02 -0.14211E+00 736 0.430E+00 0.305E-01
DAV: 2 -0.208017948254E+03 -0.48054E-02 -0.51509E-02 824 0.719E-01 0.152E-01
DAV: 3 -0.208017851157E+03 0.97097E-04 -0.79474E-04 984 0.108E-01 0.981E-02
DAV: 4 -0.208017864647E+03 -0.13491E-04 -0.66768E-04 888 0.115E-01 0.257E-02
DAV: 5 -0.208017887051E+03 -0.22403E-04 -0.28106E-04 832 0.542E-02 0.258E-02
DAV: 6 -0.208017883014E+03 0.40369E-05 -0.59623E-05 736 0.312E-02
101 F= -.20801788E+03 E0= -.20801856E+03 d E =-.388268E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.208018037127E+03 -0.15008E-03 -0.55872E-01 736 0.272E+00 0.204E-01
DAV: 2 -0.208019947852E+03 -0.19107E-02 -0.21160E-02 840 0.469E-01 0.109E-01
DAV: 3 -0.208019913502E+03 0.34350E-04 -0.60413E-04 936 0.936E-02 0.703E-02
DAV: 4 -0.208019930120E+03 -0.16618E-04 -0.32513E-04 856 0.704E-02 0.293E-02
DAV: 5 -0.208019939822E+03 -0.97019E-05 -0.67261E-05 732 0.313E-02
102 F= -.20801994E+03 E0= -.20802062E+03 d E =-.205681E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.208019925661E+03 0.44596E-05 -0.29110E-02 736 0.622E-01 0.497E-02
DAV: 2 -0.208020028889E+03 -0.10323E-03 -0.11426E-03 848 0.109E-01 0.247E-02
DAV: 3 -0.208020028371E+03 0.51749E-06 -0.25174E-05 720 0.211E-02
103 F= -.20802003E+03 E0= -.20802070E+03 d E =-.214536E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.208021057837E+03 -0.10289E-02 -0.17060E-01 736 0.151E+00 0.126E-01
DAV: 2 -0.208021610298E+03 -0.55246E-03 -0.64515E-03 872 0.256E-01 0.683E-02
DAV: 3 -0.208021576193E+03 0.34105E-04 -0.14776E-04 904 0.478E-02 0.442E-02
DAV: 4 -0.208021577880E+03 -0.16867E-05 -0.26292E-04 848 0.607E-02 0.198E-02
DAV: 5 -0.208021575726E+03 0.21533E-05 -0.53107E-05 664 0.264E-02
104 F= -.20802158E+03 E0= -.20802225E+03 d E =-.154735E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.208021670291E+03 -0.92411E-04 -0.85441E-02 736 0.107E+00 0.896E-02
DAV: 2 -0.208021970150E+03 -0.29986E-03 -0.34606E-03 872 0.186E-01 0.499E-02
DAV: 3 -0.208021947041E+03 0.23108E-04 -0.73989E-05 856 0.372E-02 0.324E-02
DAV: 4 -0.208021952204E+03 -0.51629E-05 -0.19494E-04 832 0.515E-02 0.180E-02
DAV: 5 -0.208021949592E+03 0.26125E-05 -0.32869E-05 608 0.216E-02
105 F= -.20802195E+03 E0= -.20802263E+03 d E =-.192122E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.208022542699E+03 -0.59049E-03 -0.31514E-01 736 0.205E+00 0.153E-01
DAV: 2 -0.208023626540E+03 -0.10838E-02 -0.11909E-02 856 0.347E-01 0.736E-02
DAV: 3 -0.208023597473E+03 0.29066E-04 -0.21958E-04 952 0.563E-02 0.475E-02
DAV: 4 -0.208023593424E+03 0.40488E-05 -0.16688E-04 880 0.582E-02 0.142E-02
DAV: 5 -0.208023599980E+03 -0.65557E-05 -0.68958E-05 696 0.265E-02
106 F= -.20802360E+03 E0= -.20802428E+03 d E =-.165039E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.208023604898E+03 -0.11474E-04 -0.10737E-01 736 0.120E+00 0.918E-02
DAV: 2 -0.208023978952E+03 -0.37405E-03 -0.41216E-03 856 0.204E-01 0.422E-02
DAV: 3 -0.208023970498E+03 0.84538E-05 -0.72873E-05 912 0.329E-02
107 F= -.20802397E+03 E0= -.20802465E+03 d E =-.202091E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.208023957159E+03 0.21792E-04 -0.16803E-02 736 0.474E-01 0.390E-02
DAV: 2 -0.208024000457E+03 -0.43298E-04 -0.51638E-04 864 0.743E-02 0.194E-02
DAV: 3 -0.208024001128E+03 -0.67055E-06 -0.27915E-05 608 0.204E-02
108 F= -.20802400E+03 E0= -.20802468E+03 d E =-.205154E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.208023698933E+03 0.30152E-03 -0.39866E-01 736 0.231E+00 0.168E-01
DAV: 2 -0.208025030022E+03 -0.13311E-02 -0.15201E-02 856 0.393E-01 0.901E-02
DAV: 3 -0.208024997849E+03 0.32173E-04 -0.49002E-04 936 0.802E-02 0.576E-02
DAV: 4 -0.208024991047E+03 0.68025E-05 -0.15376E-04 840 0.527E-02 0.244E-02
DAV: 5 -0.208025000145E+03 -0.90981E-05 -0.69811E-05 752 0.286E-02
109 F= -.20802500E+03 E0= -.20802568E+03 d E =-.999017E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.208024997514E+03 -0.64673E-05 -0.69634E-04 760 0.978E-02 0.591E-03
DAV: 2 -0.208025000600E+03 -0.30862E-05 -0.33780E-05 608 0.184E-02
110 F= -.20802500E+03 E0= -.20802568E+03 d E =-.999472E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.208025550293E+03 -0.55278E-03 -0.92464E-02 736 0.112E+00 0.863E-02
DAV: 2 -0.208025859631E+03 -0.30934E-03 -0.34878E-03 864 0.185E-01 0.497E-02
DAV: 3 -0.208025837669E+03 0.21962E-04 -0.75660E-05 888 0.362E-02 0.318E-02
DAV: 4 -0.208025840361E+03 -0.26915E-05 -0.15506E-04 832 0.446E-02 0.151E-02
DAV: 5 -0.208025837674E+03 0.26869E-05 -0.25305E-05 552 0.196E-02
111 F= -.20802584E+03 E0= -.20802652E+03 d E =-.837074E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.208025902274E+03 -0.61913E-04 -0.48001E-02 736 0.804E-01 0.624E-02
DAV: 2 -0.208026072894E+03 -0.17062E-03 -0.19115E-03 864 0.136E-01 0.385E-02
DAV: 3 -0.208026057935E+03 0.14959E-04 -0.40359E-05 760 0.284E-02 0.251E-02
DAV: 4 -0.208026061141E+03 -0.32057E-05 -0.12316E-04 816 0.404E-02 0.141E-02
DAV: 5 -0.208026058832E+03 0.23081E-05 -0.17855E-05 504 0.166E-02
112 F= -.20802606E+03 E0= -.20802674E+03 d E =-.105823E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.208026429632E+03 -0.36849E-03 -0.10185E-01 736 0.118E+00 0.858E-02
DAV: 2 -0.208026780069E+03 -0.35044E-03 -0.38892E-03 864 0.197E-01 0.482E-02
DAV: 3 -0.208026765894E+03 0.14174E-04 -0.98046E-05 928 0.407E-02 0.308E-02
DAV: 4 -0.208026766468E+03 -0.57325E-06 -0.72950E-05 800 0.335E-02
113 F= -.20802677E+03 E0= -.20802745E+03 d E =-.707635E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.208026813300E+03 -0.47406E-04 -0.57458E-03 736 0.279E-01 0.246E-02
DAV: 2 -0.208026831735E+03 -0.18435E-04 -0.22092E-04 856 0.480E-02 0.130E-02
DAV: 3 -0.208026831178E+03 0.55651E-06 -0.69214E-06 432 0.121E-02
114 F= -.20802683E+03 E0= -.20802751E+03 d E =-.772346E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.208026777443E+03 0.54292E-04 -0.22092E-02 736 0.549E-01 0.409E-02
DAV: 2 -0.208026848572E+03 -0.71129E-04 -0.79897E-04 864 0.897E-02 0.224E-02
DAV: 3 -0.208026846259E+03 0.23136E-05 -0.17603E-05 552 0.180E-02
115 F= -.20802685E+03 E0= -.20802752E+03 d E =-.787426E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.208027032290E+03 -0.18372E-03 -0.87047E-02 736 0.107E+00 0.756E-02
DAV: 2 -0.208027301726E+03 -0.26944E-03 -0.29975E-03 848 0.172E-01 0.402E-02
DAV: 3 -0.208027296030E+03 0.56959E-05 -0.71907E-05 888 0.305E-02
116 F= -.20802730E+03 E0= -.20802797E+03 d E =-.449771E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.208027019907E+03 0.28182E-03 -0.19115E-01 736 0.158E+00 0.113E-01
DAV: 2 -0.208027595103E+03 -0.57520E-03 -0.64314E-03 836 0.253E-01 0.613E-02
DAV: 3 -0.208027582441E+03 0.12663E-04 -0.15904E-04 928 0.455E-02 0.378E-02
DAV: 4 -0.208027583279E+03 -0.83851E-06 -0.55108E-05 720 0.333E-02
117 F= -.20802758E+03 E0= -.20802826E+03 d E =-.737020E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.208027966538E+03 -0.38410E-03 -0.43152E-02 736 0.735E-01 0.577E-02
DAV: 2 -0.208028125452E+03 -0.15891E-03 -0.18953E-03 864 0.132E-01 0.341E-02
DAV: 3 -0.208028116325E+03 0.91270E-05 -0.81929E-05 872 0.347E-02
118 F= -.20802812E+03 E0= -.20802879E+03 d E =-.533046E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.208028151834E+03 -0.26383E-04 -0.13488E-02 736 0.411E-01 0.359E-02
DAV: 2 -0.208028189130E+03 -0.37296E-04 -0.50877E-04 872 0.698E-02 0.230E-02
DAV: 3 -0.208028185178E+03 0.39517E-05 -0.32660E-05 688 0.232E-02
119 F= -.20802819E+03 E0= -.20802886E+03 d E =-.601899E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.208028607087E+03 -0.41796E-03 -0.23142E-02 736 0.551E-01 0.484E-02
DAV: 2 -0.208028675238E+03 -0.68151E-04 -0.76197E-04 872 0.889E-02 0.263E-02
DAV: 3 -0.208028672104E+03 0.31344E-05 -0.28832E-05 688 0.216E-02
120 F= -.20802867E+03 E0= -.20802935E+03 d E =-.486926E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.208028787565E+03 -0.11233E-03 -0.36248E-02 736 0.690E-01 0.610E-02
DAV: 2 -0.208028891471E+03 -0.10391E-03 -0.11745E-03 872 0.111E-01 0.327E-02
DAV: 3 -0.208028887116E+03 0.43550E-05 -0.49562E-05 808 0.276E-02
121 F= -.20802889E+03 E0= -.20802956E+03 d E =-.701938E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.208029047839E+03 -0.15637E-03 -0.65560E-02 736 0.943E-01 0.708E-02
DAV: 2 -0.208029283124E+03 -0.23528E-03 -0.26799E-03 848 0.162E-01 0.400E-02
DAV: 3 -0.208029270270E+03 0.12854E-04 -0.79673E-05 904 0.365E-02 0.246E-02
DAV: 4 -0.208029268647E+03 0.16224E-05 -0.34457E-05 648 0.237E-02
122 F= -.20802927E+03 E0= -.20802995E+03 d E =-.381531E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.208029278053E+03 -0.77834E-05 -0.37069E-03 744 0.223E-01 0.189E-02
DAV: 2 -0.208029290278E+03 -0.12225E-04 -0.14826E-04 832 0.393E-02 0.102E-02
DAV: 3 -0.208029289598E+03 0.67958E-06 -0.49327E-06 404 0.103E-02
123 F= -.20802929E+03 E0= -.20802997E+03 d E =-.402482E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.208029483065E+03 -0.19279E-03 -0.35978E-02 736 0.669E-01 0.505E-02
DAV: 2 -0.208029605339E+03 -0.12227E-03 -0.14015E-03 844 0.115E-01 0.273E-02
DAV: 3 -0.208029601383E+03 0.39560E-05 -0.48612E-05 848 0.242E-02
124 F= -.20802960E+03 E0= -.20803028E+03 d E =-.311785E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.208029590224E+03 0.15115E-04 -0.44154E-02 736 0.741E-01 0.582E-02
DAV: 2 -0.208029727489E+03 -0.13727E-03 -0.16191E-03 856 0.124E-01 0.333E-02
DAV: 3 -0.208029722044E+03 0.54458E-05 -0.67615E-05 880 0.291E-02
125 F= -.20802972E+03 E0= -.20803040E+03 d E =-.432445E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.208029880117E+03 -0.15263E-03 -0.67792E-03 736 0.296E-01 0.261E-02
DAV: 2 -0.208029895871E+03 -0.15754E-04 -0.18757E-04 840 0.447E-02 0.152E-02
DAV: 3 -0.208029895844E+03 0.26786E-07 -0.56079E-06 416 0.102E-02
126 F= -.20802990E+03 E0= -.20803057E+03 d E =-.173801E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.208030098767E+03 -0.20290E-03 -0.61734E-02 736 0.893E-01 0.670E-02
DAV: 2 -0.208030274866E+03 -0.17610E-03 -0.19893E-03 832 0.142E-01 0.351E-02
DAV: 3 -0.208030268290E+03 0.65764E-05 -0.34066E-05 832 0.241E-02
127 F= -.20803027E+03 E0= -.20803094E+03 d E =-.546246E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.208029697374E+03 0.57749E-03 -0.24602E-01 736 0.178E+00 0.135E-01
DAV: 2 -0.208030378085E+03 -0.68071E-03 -0.77882E-03 832 0.282E-01 0.691E-02
DAV: 3 -0.208030360075E+03 0.18011E-04 -0.16612E-04 984 0.491E-02 0.442E-02
DAV: 4 -0.208030369069E+03 -0.89943E-05 -0.17697E-04 856 0.574E-02 0.155E-02
DAV: 5 -0.208030371119E+03 -0.20501E-05 -0.52267E-05 656 0.251E-02
128 F= -.20803037E+03 E0= -.20803105E+03 d E =-.649075E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.208030319556E+03 0.49513E-04 -0.42403E-02 736 0.740E-01 0.524E-02
DAV: 2 -0.208030438798E+03 -0.11924E-03 -0.13249E-03 832 0.116E-01 0.291E-02
DAV: 3 -0.208030433782E+03 0.50157E-05 -0.21963E-05 672 0.193E-02
129 F= -.20803043E+03 E0= -.20803111E+03 d E =-.711739E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.208030590189E+03 -0.15139E-03 -0.29744E-02 736 0.616E-01 0.463E-02
DAV: 2 -0.208030698846E+03 -0.10866E-03 -0.12019E-03 832 0.106E-01 0.249E-02
DAV: 3 -0.208030691876E+03 0.69696E-05 -0.19266E-05 592 0.178E-02
130 F= -.20803069E+03 E0= -.20803137E+03 d E =-.258094E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.208030587079E+03 0.11177E-03 -0.83430E-02 736 0.103E+00 0.821E-02
DAV: 2 -0.208030840235E+03 -0.25316E-03 -0.29413E-03 832 0.168E-01 0.401E-02
DAV: 3 -0.208030829467E+03 0.10767E-04 -0.72276E-05 936 0.302E-02 0.254E-02
DAV: 4 -0.208030828297E+03 0.11703E-05 -0.51327E-05 744 0.289E-02
131 F= -.20803083E+03 E0= -.20803150E+03 d E =-.394515E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.208030816141E+03 0.13327E-04 -0.46136E-03 736 0.243E-01 0.166E-02
DAV: 2 -0.208030832483E+03 -0.16343E-04 -0.17809E-04 800 0.410E-02 0.102E-02
DAV: 3 -0.208030831445E+03 0.10385E-05 -0.33390E-06 396 0.718E-03
132 F= -.20803083E+03 E0= -.20803151E+03 d E =-.397663E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.208031017601E+03 -0.18512E-03 -0.42480E-02 736 0.731E-01 0.519E-02
DAV: 2 -0.208031155862E+03 -0.13826E-03 -0.15303E-03 840 0.121E-01 0.284E-02
DAV: 3 -0.208031150065E+03 0.57973E-05 -0.39246E-05 832 0.238E-02
133 F= -.20803115E+03 E0= -.20803183E+03 d E =-.318620E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.208031017661E+03 0.13820E-03 -0.13044E-01 736 0.128E+00 0.943E-02
DAV: 2 -0.208031406149E+03 -0.38849E-03 -0.43888E-03 848 0.206E-01 0.528E-02
DAV: 3 -0.208031390554E+03 0.15595E-04 -0.13199E-04 968 0.435E-02 0.322E-02
DAV: 4 -0.208031390676E+03 -0.12190E-06 -0.42565E-05 680 0.278E-02
134 F= -.20803139E+03 E0= -.20803207E+03 d E =-.559231E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.208031525051E+03 -0.13450E-03 -0.64108E-02 736 0.887E-01 0.708E-02
DAV: 2 -0.208031716054E+03 -0.19100E-03 -0.22106E-03 832 0.146E-01 0.366E-02
DAV: 3 -0.208031708361E+03 0.76932E-05 -0.43362E-05 880 0.272E-02
135 F= -.20803171E+03 E0= -.20803239E+03 d E =-.317685E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.208031590102E+03 0.12595E-03 -0.71071E-02 736 0.934E-01 0.746E-02
DAV: 2 -0.208031783587E+03 -0.19348E-03 -0.22743E-03 832 0.149E-01 0.382E-02
DAV: 3 -0.208031779686E+03 0.39009E-05 -0.57688E-05 920 0.279E-02
136 F= -.20803178E+03 E0= -.20803246E+03 d E =-.389010E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.208031845292E+03 -0.61706E-04 -0.46528E-02 736 0.741E-01 0.589E-02
DAV: 2 -0.208031970919E+03 -0.12563E-03 -0.14953E-03 832 0.118E-01 0.309E-02
DAV: 3 -0.208031969343E+03 0.15755E-05 -0.50544E-05 856 0.236E-02
137 F= -.20803197E+03 E0= -.20803265E+03 d E =-.189657E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.208031391457E+03 0.57946E-03 -0.27112E-01 736 0.179E+00 0.136E-01
DAV: 2 -0.208032191990E+03 -0.80053E-03 -0.92118E-03 824 0.289E-01 0.731E-02
DAV: 3 -0.208032162414E+03 0.29576E-04 -0.21536E-04 904 0.521E-02 0.468E-02
DAV: 4 -0.208032167019E+03 -0.46056E-05 -0.19984E-04 864 0.564E-02 0.164E-02
DAV: 5 -0.208032171807E+03 -0.47877E-05 -0.61969E-05 688 0.255E-02
138 F= -.20803217E+03 E0= -.20803285E+03 d E =-.392121E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.208032306942E+03 -0.13992E-03 -0.90193E-02 736 0.107E+00 0.817E-02
DAV: 2 -0.208032604476E+03 -0.29753E-03 -0.33667E-03 836 0.182E-01 0.437E-02
DAV: 3 -0.208032591011E+03 0.13466E-04 -0.80522E-05 880 0.362E-02 0.283E-02
DAV: 4 -0.208032592947E+03 -0.19368E-05 -0.83366E-05 776 0.359E-02
139 F= -.20803259E+03 E0= -.20803327E+03 d E =-.421140E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.208032640937E+03 -0.49927E-04 -0.70633E-03 736 0.299E-01 0.276E-02
DAV: 2 -0.208032661646E+03 -0.20709E-04 -0.27665E-04 856 0.544E-02 0.138E-02
DAV: 3 -0.208032661179E+03 0.46723E-06 -0.12555E-05 452 0.139E-02
140 F= -.20803266E+03 E0= -.20803334E+03 d E =-.489372E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.208032656551E+03 0.50951E-05 -0.27036E-02 736 0.588E-01 0.450E-02
DAV: 2 -0.208032737391E+03 -0.80840E-04 -0.92499E-04 852 0.959E-02 0.245E-02
DAV: 3 -0.208032733956E+03 0.34344E-05 -0.21703E-05 544 0.192E-02
141 F= -.20803273E+03 E0= -.20803341E+03 d E =-.562149E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.208032731557E+03 0.58331E-05 -0.41925E-03 736 0.232E-01 0.196E-02
DAV: 2 -0.208032741159E+03 -0.96014E-05 -0.12041E-04 824 0.356E-02 0.105E-02
DAV: 3 -0.208032741323E+03 -0.16363E-06 -0.53524E-06 404 0.899E-03
142 F= -.20803274E+03 E0= -.20803342E+03 d E =-.569515E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.208032846068E+03 -0.10491E-03 -0.98468E-02 736 0.109E+00 0.855E-02
DAV: 2 -0.208033145348E+03 -0.29928E-03 -0.33186E-03 820 0.175E-01 0.416E-02
DAV: 3 -0.208033137119E+03 0.82284E-05 -0.47467E-05 872 0.270E-02
143 F= -.20803314E+03 E0= -.20803381E+03 d E =-.395797E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.208032591244E+03 0.55410E-03 -0.26488E-01 736 0.178E+00 0.142E-01
DAV: 2 -0.208033351708E+03 -0.76046E-03 -0.85721E-03 832 0.283E-01 0.663E-02
DAV: 3 -0.208033340967E+03 0.10741E-04 -0.15051E-04 936 0.445E-02 0.418E-02
DAV: 4 -0.208033349513E+03 -0.85459E-05 -0.14760E-04 864 0.510E-02 0.137E-02
DAV: 5 -0.208033351763E+03 -0.22503E-05 -0.48953E-05 664 0.223E-02
144 F= -.20803335E+03 E0= -.20803403E+03 d E =-.610441E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.208033112923E+03 0.23659E-03 -0.16125E-01 736 0.138E+00 0.102E-01
DAV: 2 -0.208033643683E+03 -0.53076E-03 -0.60183E-03 804 0.233E-01 0.515E-02
DAV: 3 -0.208033631215E+03 0.12468E-04 -0.14070E-04 920 0.420E-02 0.340E-02
DAV: 4 -0.208033630050E+03 0.11649E-05 -0.78043E-05 784 0.375E-02
145 F= -.20803363E+03 E0= -.20803430E+03 d E =-.278287E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.208033642894E+03 -0.11679E-04 -0.12086E-03 752 0.119E-01 0.168E-02
DAV: 2 -0.208033643308E+03 -0.41339E-06 -0.51496E-05 688 0.265E-02
146 F= -.20803364E+03 E0= -.20803432E+03 d E =-.291545E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.208033646147E+03 -0.32528E-05 -0.45312E-03 736 0.231E-01 0.182E-02
DAV: 2 -0.208033660587E+03 -0.14440E-04 -0.16238E-04 816 0.379E-02 0.101E-02
DAV: 3 -0.208033660122E+03 0.46505E-06 -0.24735E-06 392 0.627E-03
147 F= -.20803366E+03 E0= -.20803433E+03 d E =-.308359E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.208033613835E+03 0.46752E-04 -0.18180E-02 736 0.464E-01 0.340E-02
DAV: 2 -0.208033668984E+03 -0.55149E-04 -0.63452E-04 824 0.762E-02 0.172E-02
DAV: 3 -0.208033667800E+03 0.11844E-05 -0.16285E-05 536 0.147E-02
148 F= -.20803367E+03 E0= -.20803434E+03 d E =-.316036E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.208033794264E+03 -0.12528E-03 -0.80194E-02 736 0.978E-01 0.772E-02
DAV: 2 -0.208034033676E+03 -0.23941E-03 -0.27095E-03 840 0.159E-01 0.399E-02
DAV: 3 -0.208034026083E+03 0.75928E-05 -0.47153E-05 880 0.262E-02
149 F= -.20803403E+03 E0= -.20803470E+03 d E =-.358283E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.208033173023E+03 0.86065E-03 -0.39539E-01 736 0.217E+00 0.172E-01
DAV: 2 -0.208034336154E+03 -0.11631E-02 -0.13295E-02 840 0.354E-01 0.849E-02
DAV: 3 -0.208034312275E+03 0.23879E-04 -0.27601E-04 928 0.597E-02 0.549E-02
DAV: 4 -0.208034326097E+03 -0.13822E-04 -0.31770E-04 872 0.729E-02 0.211E-02
DAV: 5 -0.208034328028E+03 -0.19306E-05 -0.88800E-05 728 0.318E-02
150 F= -.20803433E+03 E0= -.20803500E+03 d E =-.660228E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.208034328045E+03 -0.19473E-05 -0.74248E-02 736 0.931E-01 0.749E-02
DAV: 2 -0.208034586398E+03 -0.25835E-03 -0.28911E-03 840 0.160E-01 0.398E-02
DAV: 3 -0.208034573663E+03 0.12735E-04 -0.49702E-05 848 0.322E-02 0.262E-02
DAV: 4 -0.208034581034E+03 -0.73713E-05 -0.13685E-04 808 0.450E-02 0.147E-02
DAV: 5 -0.208034579822E+03 0.12120E-05 -0.27526E-05 584 0.184E-02
151 F= -.20803458E+03 E0= -.20803525E+03 d E =-.251794E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.208034480405E+03 0.10063E-03 -0.54672E-02 736 0.799E-01 0.634E-02
DAV: 2 -0.208034666253E+03 -0.18585E-03 -0.20773E-03 840 0.136E-01 0.337E-02
DAV: 3 -0.208034657787E+03 0.84658E-05 -0.33539E-05 784 0.258E-02
152 F= -.20803466E+03 E0= -.20803533E+03 d E =-.329759E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.208034630644E+03 0.35609E-04 -0.12149E-02 736 0.378E-01 0.336E-02
DAV: 2 -0.208034656063E+03 -0.25419E-04 -0.35044E-04 848 0.595E-02 0.157E-02
DAV: 3 -0.208034658339E+03 -0.22763E-05 -0.30814E-05 680 0.184E-02
153 F= -.20803466E+03 E0= -.20803533E+03 d E =-.330311E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.208034698356E+03 -0.42293E-04 -0.72216E-02 736 0.925E-01 0.719E-02
DAV: 2 -0.208034919717E+03 -0.22136E-03 -0.24473E-03 836 0.149E-01 0.374E-02
DAV: 3 -0.208034912967E+03 0.67508E-05 -0.48966E-05 864 0.279E-02