N E dE d eps ncg rms rms(c) DAV: 1 0.114387674117E+05 0.11439E+05 -0.58804E+05 2816 0.170E+03 DAV: 2 0.106696608141E+03 -0.11332E+05 -0.10996E+05 3776 0.377E+02 DAV: 3 -0.145994351976E+04 -0.15666E+04 -0.15605E+04 3392 0.141E+02 DAV: 4 -0.150334464195E+04 -0.43401E+02 -0.43227E+02 3488 0.259E+01 DAV: 5 -0.150615503121E+04 -0.28104E+01 -0.28089E+01 4896 0.445E+00 0.179E+02 DAV: 6 -0.134436736441E+04 0.16179E+03 -0.69874E+02 3424 0.297E+01 0.105E+02 DAV: 7 -0.134139582055E+04 0.29715E+01 -0.57382E+01 3584 0.976E+00 0.186E+01 DAV: 8 -0.134451748471E+04 -0.31217E+01 -0.88079E+01 3808 0.578E+00 0.106E+01 DAV: 9 -0.134175026539E+04 0.27672E+01 -0.65836E+00 3712 0.333E+00 0.690E+00 DAV: 10 -0.134129213194E+04 0.45813E+00 -0.67703E+00 3424 0.197E+00 0.452E+00 DAV: 11 -0.134176680479E+04 -0.47467E+00 -0.16409E+01 3552 0.196E+00 0.146E+01 DAV: 12 -0.134132664449E+04 0.44016E+00 -0.45463E+01 3616 0.217E+00 0.330E+00 DAV: 13 -0.134118750544E+04 0.13914E+00 -0.19896E+00 3264 0.788E-01 0.341E+00 DAV: 14 -0.134109399516E+04 0.93510E-01 -0.14788E-01 3520 0.323E-01 0.281E+00 DAV: 15 -0.134102706519E+04 0.66930E-01 -0.51259E-01 3744 0.440E-01 0.304E+00 DAV: 16 -0.134086625023E+04 0.16081E+00 -0.10532E+00 3328 0.474E-01 0.243E+00 DAV: 17 -0.134080905569E+04 0.57195E-01 -0.31204E-02 3296 0.186E-01 0.215E+00 DAV: 18 -0.134074542884E+04 0.63627E-01 -0.30068E-01 4096 0.247E-01 0.110E+00 DAV: 19 -0.134074629179E+04 -0.86295E-03 -0.74807E-03 2976 0.745E-02 0.105E+00 DAV: 20 -0.134074770942E+04 -0.14176E-02 -0.68312E-03 3072 0.290E-02 0.877E-01 DAV: 21 -0.134074799657E+04 -0.28715E-03 -0.16614E-03 2432 0.139E-02 0.961E-01 DAV: 22 -0.134075172287E+04 -0.37263E-02 -0.11961E-01 3680 0.962E-02 0.146E+00 DAV: 23 -0.134083073629E+04 -0.79013E-01 -0.12867E+00 3360 0.343E-01 0.373E+00 DAV: 24 -0.134082774155E+04 0.29947E-02 -0.62393E-03 3136 0.820E-02 0.374E+00 DAV: 25 -0.134082028745E+04 0.74541E-02 -0.48193E-04 3008 0.187E-02 0.368E+00 DAV: 26 -0.134082999116E+04 -0.97037E-02 -0.20446E-04 2240 0.193E-02 0.371E+00 DAV: 27 -0.134082206565E+04 0.79255E-02 -0.40962E-01 3840 0.143E-01 0.258E+00 DAV: 28 -0.134084462336E+04 -0.22558E-01 -0.14956E-02 3008 0.779E-02 0.317E+00 DAV: 29 -0.134083840688E+04 0.62165E-02 -0.41851E-04 2752 0.272E-02 0.316E+00 DAV: 30 -0.134084424729E+04 -0.58404E-02 -0.21978E-02 3136 0.458E-02 0.270E+00 DAV: 31 -0.134088253288E+04 -0.38286E-01 -0.24680E-01 3488 0.154E-01 0.474E+00 DAV: 32 -0.134081753978E+04 0.64993E-01 -0.18060E-02 3232 0.168E-01 0.460E+00 DAV: 33 -0.134075788440E+04 0.59655E-01 -0.32084E-01 3712 0.180E-01 0.262E+00 DAV: 34 -0.134075226136E+04 0.56230E-02 -0.96700E-02 3200 0.132E-01 0.161E+00 DAV: 35 -0.134075354627E+04 -0.12849E-02 -0.62170E-03 3040 0.701E-02 0.143E+00 DAV: 36 -0.134075160694E+04 0.19393E-02 -0.60436E-03 3232 0.366E-02 0.112E+00 DAV: 37 -0.134075257246E+04 -0.96552E-03 -0.43683E-03 3168 0.692E-02 0.784E-01 DAV: 38 -0.134075365182E+04 -0.10794E-02 -0.27418E-02 3200 0.478E-02 0.845E-01 DAV: 39 -0.134075381737E+04 -0.16554E-03 -0.12594E-03 2816 0.258E-02 0.671E-01 DAV: 40 -0.134075412468E+04 -0.30731E-03 -0.74945E-04 2784 0.166E-02 0.559E-01 DAV: 41 -0.134075441040E+04 -0.28572E-03 -0.82987E-03 2944 0.289E-02 0.541E-01 DAV: 42 -0.134075389349E+04 0.51691E-03 -0.10595E-03 2880 0.235E-02 0.366E-01 DAV: 43 -0.134075399171E+04 -0.98222E-04 -0.36540E-04 2816 0.139E-02 1 F= -.13630614E+04 E0= -.13630280E+04 d E =-.136306E+04 N E dE d eps ncg rms rms(c) DAV: 1 -0.133541814109E+04 0.53358E+01 -0.69952E+02 2880 0.336E+01 0.409E+01 DAV: 2 -0.133864277117E+04 -0.32246E+01 -0.46101E+01 3360 0.655E+00 0.145E+01 DAV: 3 -0.134230009428E+04 -0.36573E+01 -0.20771E+02 3840 0.823E+00 0.110E+01 DAV: 4 -0.133959302321E+04 0.27071E+01 -0.49277E+00 3936 0.364E+00 0.797E+00 DAV: 5 -0.133794764305E+04 0.16454E+01 -0.29339E+00 3360 0.320E+00 0.544E+00 DAV: 6 -0.133698413510E+04 0.96351E+00 -0.36506E+00 3456 0.294E+00 0.482E+00 DAV: 7 -0.133746522449E+04 -0.48109E+00 -0.76496E+00 3392 0.137E+00 0.722E+00 DAV: 8 -0.133714596955E+04 0.31925E+00 -0.37352E+00 3520 0.807E-01 0.587E+00 DAV: 9 -0.133693568799E+04 0.21028E+00 -0.24185E+00 3680 0.670E-01 0.266E+00 DAV: 10 -0.133691416402E+04 0.21524E-01 -0.33066E-01 3360 0.329E-01 0.173E+00 DAV: 11 -0.133689928467E+04 0.14879E-01 -0.93708E-02 3456 0.207E-01 0.130E+00 DAV: 12 -0.133688155961E+04 0.17725E-01 -0.18828E-01 3648 0.289E-01 0.620E-01 DAV: 13 -0.133688366212E+04 -0.21025E-02 -0.19148E-01 3328 0.187E-01 0.514E-01 DAV: 14 -0.133688701854E+04 -0.33564E-02 -0.16772E-01 3680 0.203E-01 0.975E-01 DAV: 15 -0.133687848021E+04 0.85383E-02 -0.50381E-02 3232 0.106E-01 0.134E-01 DAV: 16 -0.133688000117E+04 -0.15210E-02 -0.66073E-03 2880 0.506E-02 0.328E-01 DAV: 17 -0.133687956431E+04 0.43687E-03 -0.16866E-02 3040 0.562E-02 0.148E-01 DAV: 18 -0.133687989328E+04 -0.32897E-03 -0.42040E-03 2624 0.383E-02 0.149E-01 DAV: 19 -0.133688005829E+04 -0.16502E-03 -0.24448E-04 2400 0.174E-02 0.325E-02 DAV: 20 -0.133688047950E+04 -0.42121E-03 -0.91386E-05 2368 0.119E-02 0.263E-02 DAV: 21 -0.133688081786E+04 -0.33836E-03 -0.39075E-05 2208 0.108E-02 0.559E-02 DAV: 22 -0.133688108468E+04 -0.26682E-03 -0.44839E-05 2144 0.931E-03 0.117E-02 DAV: 23 -0.133688118110E+04 -0.96416E-04 -0.16072E-05 2208 0.403E-03 2 F= -.13591534E+04 E0= -.13591281E+04 d E =0.390800E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134057269492E+04 -0.36916E+01 -0.34485E+02 2816 0.239E+01 0.277E+01 DAV: 2 -0.134183608129E+04 -0.12634E+01 -0.16475E+01 3296 0.449E+00 0.118E+01 DAV: 3 -0.134193304596E+04 -0.96965E-01 -0.93079E+00 3776 0.169E+00 0.101E+01 DAV: 4 -0.134164295607E+04 0.29009E+00 -0.36697E+00 3808 0.132E+00 0.806E+00 DAV: 5 -0.134220236625E+04 -0.55941E+00 -0.75799E+00 3456 0.146E+00 0.121E+01 DAV: 6 -0.134159642410E+04 0.60594E+00 -0.22869E+01 3648 0.157E+00 0.250E+00 DAV: 7 -0.134152578928E+04 0.70635E-01 -0.18706E+00 3232 0.713E-01 0.265E+00 DAV: 8 -0.134145428635E+04 0.71503E-01 -0.28475E-01 3520 0.324E-01 0.131E+00 DAV: 9 -0.134146006143E+04 -0.57751E-02 -0.13962E-01 3520 0.202E-01 0.168E+00 DAV: 10 -0.134144239611E+04 0.17665E-01 -0.36164E-02 3456 0.118E-01 0.103E+00 DAV: 11 -0.134143609781E+04 0.62983E-02 -0.59129E-02 3392 0.100E-01 0.590E-01 DAV: 12 -0.134145634658E+04 -0.20249E-01 -0.21203E-01 3648 0.146E-01 0.147E+00 DAV: 13 -0.134143789587E+04 0.18451E-01 -0.57153E-02 3520 0.101E-01 0.616E-01 DAV: 14 -0.134143554305E+04 0.23528E-02 -0.10539E-02 3232 0.632E-02 0.245E-01 DAV: 15 -0.134143492258E+04 0.62046E-03 -0.15066E-03 3008 0.447E-02 0.159E-01 DAV: 16 -0.134143436453E+04 0.55805E-03 -0.11142E-03 2592 0.438E-02 0.149E-01 DAV: 17 -0.134143471866E+04 -0.35413E-03 -0.15243E-03 2752 0.509E-02 0.863E-02 DAV: 18 -0.134143471702E+04 0.16447E-05 -0.27128E-04 2848 0.172E-02 3 F= -.13637319E+04 E0= -.13637028E+04 d E =-.670447E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.134191973018E+04 -0.48501E+00 -0.13141E+02 2816 0.148E+01 0.562E+00 DAV: 2 -0.134245018064E+04 -0.53045E+00 -0.79915E+00 3360 0.266E+00 0.387E+00 DAV: 3 -0.134224334896E+04 0.20683E+00 -0.27558E+00 3904 0.102E+00 0.259E+00 DAV: 4 -0.134217239115E+04 0.70958E-01 -0.60360E-01 3616 0.531E-01 0.145E+00 DAV: 5 -0.134218596386E+04 -0.13573E-01 -0.56226E-01 3584 0.380E-01 0.172E+00 DAV: 6 -0.134217489376E+04 0.11070E-01 -0.57314E-01 3712 0.320E-01 0.129E+00 DAV: 7 -0.134216939031E+04 0.55035E-02 -0.53640E-01 3488 0.360E-01 0.794E-01 DAV: 8 -0.134216406182E+04 0.53285E-02 -0.35602E-02 3424 0.148E-01 0.630E-01 DAV: 9 -0.134216195228E+04 0.21095E-02 -0.69372E-03 3232 0.752E-02 0.437E-01 DAV: 10 -0.134215890457E+04 0.30477E-02 -0.73501E-03 3008 0.701E-02 0.234E-01 DAV: 11 -0.134215783670E+04 0.10679E-02 -0.18681E-02 3424 0.105E-01 0.389E-01 DAV: 12 -0.134215712050E+04 0.71620E-03 -0.14057E-02 3296 0.472E-02 0.200E-01 DAV: 13 -0.134215697931E+04 0.14119E-03 -0.36301E-03 2816 0.256E-02 0.132E-01 DAV: 14 -0.134215695182E+04 0.27487E-04 -0.10182E-03 2624 0.230E-02 0.620E-02 DAV: 15 -0.134215695086E+04 0.96446E-06 -0.21503E-04 2272 0.156E-02 4 F= -.13644501E+04 E0= -.13644234E+04 d E =-.718241E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.134217841786E+04 -0.21466E-01 -0.10682E+01 2880 0.421E+00 0.162E+00 DAV: 2 -0.134225292313E+04 -0.74505E-01 -0.94328E-01 3328 0.778E-01 0.230E+00 DAV: 3 -0.134222454120E+04 0.28382E-01 -0.11312E+00 4160 0.390E-01 0.166E+00 DAV: 4 -0.134223558305E+04 -0.11042E-01 -0.39056E-01 3456 0.266E-01 0.183E+00 DAV: 5 -0.134219894968E+04 0.36633E-01 -0.22357E-01 3264 0.217E-01 0.461E-01 DAV: 6 -0.134219750759E+04 0.14421E-02 -0.18801E-02 3296 0.991E-02 0.220E-01 DAV: 7 -0.134219746365E+04 0.43943E-04 -0.63743E-03 3488 0.650E-02 0.191E-01 DAV: 8 -0.134219723460E+04 0.22905E-03 -0.28042E-03 3392 0.377E-02 0.101E-01 DAV: 9 -0.134219721606E+04 0.18537E-04 -0.12446E-03 2976 0.234E-02 0.830E-02 DAV: 10 -0.134219719640E+04 0.19659E-04 -0.50871E-04 2624 0.140E-02 5 F= -.13644882E+04 E0= -.13644613E+04 d E =-.756351E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.134252885140E+04 -0.33164E+00 -0.46341E+01 2816 0.877E+00 0.446E+00 DAV: 2 -0.134295979471E+04 -0.43094E+00 -0.63648E+00 3424 0.187E+00 0.578E+00 DAV: 3 -0.134274424914E+04 0.21555E+00 -0.85676E+00 3840 0.125E+00 0.230E+00 DAV: 4 -0.134275898919E+04 -0.14740E-01 -0.15416E+00 3168 0.581E-01 0.284E+00 DAV: 5 -0.134265060694E+04 0.10838E+00 -0.12782E-01 3360 0.349E-01 0.175E+00 DAV: 6 -0.134263190868E+04 0.18698E-01 -0.24630E-01 3680 0.287E-01 0.147E+00 DAV: 7 -0.134262309518E+04 0.88135E-02 -0.49749E-01 3264 0.303E-01 0.135E+00 DAV: 8 -0.134260836078E+04 0.14734E-01 -0.64951E-02 3264 0.132E-01 0.520E-01 DAV: 9 -0.134261050940E+04 -0.21486E-02 -0.16136E-02 3232 0.699E-02 0.789E-01 DAV: 10 -0.134261017736E+04 0.33204E-03 -0.24289E-03 3104 0.421E-02 0.758E-01 DAV: 11 -0.134260654500E+04 0.36324E-02 -0.23990E-02 3360 0.696E-02 0.178E-01 DAV: 12 -0.134260642585E+04 0.11915E-03 -0.13995E-03 2944 0.334E-02 0.834E-02 DAV: 13 -0.134260640921E+04 0.16638E-04 -0.29393E-04 2944 0.161E-02 6 F= -.13648865E+04 E0= -.13648599E+04 d E =-.398285E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.134264254360E+04 -0.36118E-01 -0.11912E+01 2816 0.445E+00 0.225E+00 DAV: 2 -0.134277643085E+04 -0.13389E+00 -0.20234E+00 3328 0.101E+00 0.283E+00 DAV: 3 -0.134269230551E+04 0.84125E-01 -0.14372E+00 3840 0.580E-01 0.184E+00 DAV: 4 -0.134274946088E+04 -0.57155E-01 -0.79410E-01 3648 0.432E-01 0.214E+00 DAV: 5 -0.134266543655E+04 0.84024E-01 -0.18877E-01 3488 0.344E-01 0.697E-01 DAV: 6 -0.134266431729E+04 0.11193E-02 -0.71120E-02 3296 0.144E-01 0.474E-01 DAV: 7 -0.134266300466E+04 0.13126E-02 -0.31531E-02 3360 0.971E-02 0.323E-01 DAV: 8 -0.134266226357E+04 0.74110E-03 -0.75856E-03 3200 0.519E-02 0.122E-01 DAV: 9 -0.134266226630E+04 -0.27354E-05 -0.10587E-03 2848 0.226E-02 0.937E-02 DAV: 10 -0.134266223874E+04 0.27564E-04 -0.14516E-03 2336 0.188E-02 0.623E-02 DAV: 11 -0.134266223105E+04 0.76877E-05 -0.23833E-04 2112 0.111E-02 7 F= -.13649355E+04 E0= -.13649091E+04 d E =-.447226E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.134282946917E+04 -0.16723E+00 -0.22025E+01 2816 0.589E+00 0.364E+00 DAV: 2 -0.134322161851E+04 -0.39215E+00 -0.63208E+00 3488 0.157E+00 0.468E+00 DAV: 3 -0.134290259712E+04 0.31902E+00 -0.39174E+00 3680 0.117E+00 0.173E+00 DAV: 4 -0.134287446118E+04 0.28136E-01 -0.36322E-01 3616 0.433E-01 0.138E+00 DAV: 5 -0.134288418198E+04 -0.97208E-02 -0.68696E-01 3456 0.352E-01 0.160E+00 DAV: 6 -0.134286941957E+04 0.14762E-01 -0.35233E-01 3552 0.224E-01 0.131E+00 DAV: 7 -0.134285681227E+04 0.12607E-01 -0.15042E-01 3424 0.174E-01 0.447E-01 DAV: 8 -0.134285657199E+04 0.24028E-03 -0.35446E-02 3104 0.870E-02 0.337E-01 DAV: 9 -0.134285572523E+04 0.84676E-03 -0.14895E-02 2976 0.584E-02 0.187E-01 DAV: 10 -0.134285550508E+04 0.22015E-03 -0.18304E-03 2976 0.307E-02 0.976E-02 DAV: 11 -0.134285543759E+04 0.67488E-04 -0.51158E-04 2496 0.175E-02 8 F= -.13651149E+04 E0= -.13650894E+04 d E =-.179444E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.134288362723E+04 -0.28122E-01 -0.68237E+00 2816 0.328E+00 0.207E+00 DAV: 2 -0.134300417555E+04 -0.12055E+00 -0.19863E+00 3424 0.910E-01 0.289E+00 DAV: 3 -0.134290995972E+04 0.94216E-01 -0.94424E-01 3552 0.664E-01 0.139E+00 DAV: 4 -0.134293116921E+04 -0.21209E-01 -0.52707E-01 3616 0.361E-01 0.165E+00 DAV: 5 -0.134289672381E+04 0.34445E-01 -0.29355E-01 3392 0.293E-01 0.710E-01 DAV: 6 -0.134289521688E+04 0.15069E-02 -0.11026E-01 3360 0.161E-01 0.623E-01 DAV: 7 -0.134289235888E+04 0.28580E-02 -0.11579E-02 3264 0.941E-02 0.330E-01 DAV: 8 -0.134289270569E+04 -0.34681E-03 -0.29253E-02 3520 0.689E-02 0.365E-01 DAV: 9 -0.134289216820E+04 0.53749E-03 -0.47084E-03 2944 0.368E-02 0.224E-01 DAV: 10 -0.134289172620E+04 0.44200E-03 -0.63176E-04 2656 0.221E-02 0.541E-02 DAV: 11 -0.134289173629E+04 -0.10089E-04 -0.67790E-05 2240 0.927E-03 9 F= -.13651431E+04 E0= -.13651180E+04 d E =-.207583E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.134301766218E+04 -0.12594E+00 -0.19919E+01 2816 0.573E+00 0.195E+00 DAV: 2 -0.134311266892E+04 -0.95007E-01 -0.12331E+00 3360 0.107E+00 0.217E+00 DAV: 3 -0.134309673810E+04 0.15931E-01 -0.14517E+00 3936 0.547E-01 0.136E+00 DAV: 4 -0.134306929744E+04 0.27441E-01 -0.69514E-02 3488 0.228E-01 0.944E-01 DAV: 5 -0.134307963299E+04 -0.10336E-01 -0.30962E-01 3264 0.205E-01 0.147E+00 DAV: 6 -0.134306815254E+04 0.11480E-01 -0.25003E-01 3616 0.185E-01 0.117E+00 DAV: 7 -0.134306107230E+04 0.70802E-02 -0.17119E-01 3680 0.162E-01 0.446E-01 DAV: 8 -0.134305929224E+04 0.17801E-02 -0.92867E-03 3264 0.740E-02 0.171E-01 DAV: 9 -0.134305914235E+04 0.14988E-03 -0.17197E-03 2880 0.306E-02 0.794E-02 DAV: 10 -0.134305948589E+04 -0.34354E-03 -0.20870E-03 2528 0.289E-02 0.218E-01 DAV: 11 -0.134305930331E+04 0.18258E-03 -0.36522E-04 2144 0.168E-02 0.149E-01 DAV: 12 -0.134305914388E+04 0.15944E-03 -0.42972E-04 2240 0.174E-02 0.163E-02 DAV: 13 -0.134305917637E+04 -0.32486E-04 -0.26381E-05 2208 0.619E-03 10 F= -.13653013E+04 E0= -.13652759E+04 d E =-.158209E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.134308048801E+04 -0.21344E-01 -0.24787E+01 2816 0.640E+00 0.219E+00 DAV: 2 -0.134319650182E+04 -0.11601E+00 -0.14854E+00 3520 0.118E+00 0.261E+00 DAV: 3 -0.134318129483E+04 0.15207E-01 -0.19251E+00 3904 0.577E-01 0.144E+00 DAV: 4 -0.134320308069E+04 -0.21786E-01 -0.81921E-01 3232 0.374E-01 0.234E+00 DAV: 5 -0.134314035239E+04 0.62728E-01 -0.22445E-01 3360 0.266E-01 0.813E-01 DAV: 6 -0.134313917554E+04 0.11769E-02 -0.16106E-01 3616 0.230E-01 0.119E+00 DAV: 7 -0.134313307156E+04 0.61040E-02 -0.15359E-01 3488 0.149E-01 0.418E-01 DAV: 8 -0.134313143419E+04 0.16374E-02 -0.14976E-02 3168 0.655E-02 0.153E-01 DAV: 9 -0.134313140274E+04 0.31450E-04 -0.11283E-03 3040 0.297E-02 0.139E-01 DAV: 10 -0.134313139604E+04 0.66989E-05 -0.16783E-04 2624 0.144E-02 11 F= -.13653617E+04 E0= -.13653361E+04 d E =-.218650E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.134322218297E+04 -0.90780E-01 -0.13643E+01 2816 0.467E+00 0.191E+00 DAV: 2 -0.134334336452E+04 -0.12118E+00 -0.15748E+00 3360 0.943E-01 0.252E+00 DAV: 3 -0.134328041658E+04 0.62948E-01 -0.12889E+00 3776 0.510E-01 0.140E+00 DAV: 4 -0.134329488696E+04 -0.14470E-01 -0.61809E-01 3168 0.325E-01 0.211E+00 DAV: 5 -0.134325070297E+04 0.44184E-01 -0.28598E-01 3488 0.230E-01 0.492E-01 DAV: 6 -0.134325035391E+04 0.34906E-03 -0.12489E-02 3264 0.946E-02 0.313E-01 DAV: 7 -0.134325061410E+04 -0.26020E-03 -0.83106E-03 3264 0.656E-02 0.308E-01 DAV: 8 -0.134325039719E+04 0.21691E-03 -0.97224E-03 3360 0.484E-02 0.211E-01 DAV: 9 -0.134325024876E+04 0.14842E-03 -0.29085E-03 2752 0.347E-02 0.161E-01 DAV: 10 -0.134325008501E+04 0.16375E-03 -0.56599E-04 2176 0.138E-02 0.356E-02 DAV: 11 -0.134325016716E+04 -0.82150E-04 -0.23274E-04 2144 0.946E-03 12 F= -.13654722E+04 E0= -.13654469E+04 d E =-.110497E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.134325069647E+04 -0.61145E-03 -0.47528E+01 2816 0.872E+00 0.344E+00 DAV: 2 -0.134348286204E+04 -0.23217E+00 -0.30828E+00 3392 0.164E+00 0.279E+00 DAV: 3 -0.134343194396E+04 0.50918E-01 -0.28101E+00 3968 0.853E-01 0.178E+00 DAV: 4 -0.134338442758E+04 0.47516E-01 -0.14227E-01 3232 0.374E-01 0.198E+00 DAV: 5 -0.134337398357E+04 0.10444E-01 -0.16215E-01 3296 0.227E-01 0.136E+00 DAV: 6 -0.134337056059E+04 0.34230E-02 -0.27992E-01 3488 0.319E-01 0.157E+00 DAV: 7 -0.134335484028E+04 0.15720E-01 -0.21581E-01 3200 0.193E-01 0.546E-01 DAV: 8 -0.134335642405E+04 -0.15838E-02 -0.33395E-02 3296 0.124E-01 0.758E-01 DAV: 9 -0.134335363975E+04 0.27843E-02 -0.24375E-02 3360 0.836E-02 0.340E-01 DAV: 10 -0.134335424720E+04 -0.60745E-03 -0.47205E-03 2976 0.688E-02 0.470E-01 DAV: 11 -0.134335496110E+04 -0.71390E-03 -0.56082E-04 2816 0.244E-02 0.567E-01 DAV: 12 -0.134335287928E+04 0.20818E-02 -0.45518E-03 2720 0.363E-02 0.168E-01 DAV: 13 -0.134335275240E+04 0.12688E-03 -0.54194E-04 2784 0.176E-02 0.427E-02 DAV: 14 -0.134335277658E+04 -0.24182E-04 -0.21765E-05 1952 0.586E-03 13 F= -.13655578E+04 E0= -.13655332E+04 d E =-.196092E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.134341077863E+04 -0.58026E-01 -0.76738E+00 2816 0.360E+00 0.147E+00 DAV: 2 -0.134346042479E+04 -0.49646E-01 -0.72555E-01 3392 0.715E-01 0.140E+00 DAV: 3 -0.134343627760E+04 0.24147E-01 -0.34260E-01 3776 0.353E-01 0.120E+00 DAV: 4 -0.134345282945E+04 -0.16552E-01 -0.14516E-01 3424 0.248E-01 0.136E+00 DAV: 5 -0.134343088304E+04 0.21946E-01 -0.70046E-03 3136 0.156E-01 0.694E-01 DAV: 6 -0.134342626018E+04 0.46229E-02 -0.37935E-02 3648 0.102E-01 0.204E-01 DAV: 7 -0.134342675187E+04 -0.49169E-03 -0.27870E-03 3008 0.559E-02 0.297E-01 DAV: 8 -0.134342624035E+04 0.51152E-03 -0.17412E-03 3008 0.314E-02 0.111E-01 DAV: 9 -0.134342620165E+04 0.38701E-04 -0.19708E-04 2496 0.135E-02 14 F= -.13656274E+04 E0= -.13656032E+04 d E =-.696504E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134343692621E+04 -0.10686E-01 -0.15719E+01 2816 0.516E+00 0.210E+00 DAV: 2 -0.134353320383E+04 -0.96278E-01 -0.12400E+00 3456 0.102E+00 0.170E+00 DAV: 3 -0.134352614508E+04 0.70588E-02 -0.10901E+00 3616 0.571E-01 0.163E+00 DAV: 4 -0.134347804115E+04 0.48104E-01 -0.46361E-01 3424 0.385E-01 0.938E-01 DAV: 5 -0.134347109216E+04 0.69490E-02 -0.82930E-02 3488 0.174E-01 0.541E-01 DAV: 6 -0.134348357562E+04 -0.12483E-01 -0.13912E-01 3552 0.180E-01 0.142E+00 DAV: 7 -0.134346946858E+04 0.14107E-01 -0.14004E-01 3936 0.146E-01 0.266E-01 DAV: 8 -0.134346934547E+04 0.12311E-03 -0.10038E-02 3008 0.493E-02 0.134E-01 DAV: 9 -0.134346920997E+04 0.13550E-03 -0.10227E-03 2720 0.211E-02 0.690E-02 DAV: 10 -0.134346922393E+04 -0.13960E-04 -0.15620E-04 2208 0.962E-03 15 F= -.13656647E+04 E0= -.13656416E+04 d E =-.106908E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.134351919034E+04 -0.49980E-01 -0.70914E+00 2816 0.344E+00 0.109E+00 DAV: 2 -0.134354844981E+04 -0.29259E-01 -0.31572E-01 3360 0.606E-01 0.935E-01 DAV: 3 -0.134356741270E+04 -0.18963E-01 -0.51973E-01 3456 0.322E-01 0.144E+00 DAV: 4 -0.134353874304E+04 0.28670E-01 -0.23090E-01 3328 0.222E-01 0.724E-01 DAV: 5 -0.134353548942E+04 0.32536E-02 -0.80485E-02 3520 0.118E-01 0.322E-01 DAV: 6 -0.134353516392E+04 0.32550E-03 -0.21933E-02 3264 0.809E-02 0.267E-01 DAV: 7 -0.134353477700E+04 0.38692E-03 -0.24104E-03 3104 0.409E-02 0.154E-01 DAV: 8 -0.134353457450E+04 0.20250E-03 -0.11459E-03 2656 0.245E-02 0.317E-02 DAV: 9 -0.134353459218E+04 -0.17687E-04 -0.62809E-05 2400 0.936E-03 16 F= -.13657270E+04 E0= -.13657036E+04 d E =-.623232E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134349430250E+04 0.40272E-01 -0.63727E+01 2816 0.103E+01 0.328E+00 DAV: 2 -0.134372289384E+04 -0.22859E+00 -0.29803E+00 3392 0.183E+00 0.198E+00 DAV: 3 -0.134375531544E+04 -0.32422E-01 -0.19104E+00 3392 0.761E-01 0.258E+00 DAV: 4 -0.134364488238E+04 0.11043E+00 -0.56872E-01 3360 0.448E-01 0.135E+00 DAV: 5 -0.134365202860E+04 -0.71462E-02 -0.41395E-01 3488 0.312E-01 0.103E+00 DAV: 6 -0.134363902981E+04 0.12999E-01 -0.86911E-02 3648 0.292E-01 0.877E-01 DAV: 7 -0.134363450427E+04 0.45255E-02 -0.60683E-02 3168 0.145E-01 0.241E-01 DAV: 8 -0.134363389764E+04 0.60663E-03 -0.73962E-03 3200 0.637E-02 0.120E-01 DAV: 9 -0.134363384042E+04 0.57222E-04 -0.10092E-03 2912 0.236E-02 0.574E-02 DAV: 10 -0.134363383120E+04 0.92199E-05 -0.13289E-04 2464 0.132E-02 17 F= -.13658164E+04 E0= -.13657931E+04 d E =-.151686E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.134368634247E+04 -0.52502E-01 -0.13380E+01 2816 0.478E+00 0.153E+00 DAV: 2 -0.134379592605E+04 -0.10958E+00 -0.14694E+00 3232 0.917E-01 0.179E+00 DAV: 3 -0.134372036308E+04 0.75563E-01 -0.38123E-01 3456 0.462E-01 0.912E-01 DAV: 4 -0.134372162727E+04 -0.12642E-02 -0.13373E-01 3328 0.227E-01 0.112E+00 DAV: 5 -0.134371585067E+04 0.57766E-02 -0.18955E-01 3744 0.185E-01 0.614E-01 DAV: 6 -0.134372319803E+04 -0.73474E-02 -0.29512E-02 3360 0.129E-01 0.982E-01 DAV: 7 -0.134371299801E+04 0.10200E-01 -0.20081E-03 3136 0.860E-02 0.377E-01 DAV: 8 -0.134371246279E+04 0.53522E-03 -0.11428E-03 3008 0.341E-02 0.279E-01 DAV: 9 -0.134371178326E+04 0.67953E-03 -0.19988E-04 2624 0.311E-02 0.418E-02 DAV: 10 -0.134371181820E+04 -0.34946E-04 -0.13944E-04 2208 0.135E-02 18 F= -.13658882E+04 E0= -.13658655E+04 d E =-.718610E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134371769632E+04 -0.59131E-02 -0.77481E+00 2816 0.363E+00 0.112E+00 DAV: 2 -0.134377886783E+04 -0.61172E-01 -0.74155E-01 3264 0.666E-01 0.158E+00 DAV: 3 -0.134374456317E+04 0.34305E-01 -0.35352E-01 3424 0.349E-01 0.104E+00 DAV: 4 -0.134373634721E+04 0.82160E-02 -0.78255E-03 3232 0.184E-01 0.646E-01 DAV: 5 -0.134373843430E+04 -0.20871E-02 -0.82448E-03 3360 0.154E-01 0.729E-01 DAV: 6 -0.134373307546E+04 0.53588E-02 -0.17203E-03 3200 0.764E-02 0.197E-01 DAV: 7 -0.134373311852E+04 -0.43053E-04 -0.22958E-03 3104 0.320E-02 0.183E-01 DAV: 8 -0.134373281829E+04 0.30022E-03 -0.50143E-04 2688 0.208E-02 0.656E-02 DAV: 9 -0.134373284665E+04 -0.28355E-04 -0.10936E-04 2304 0.174E-02 19 F= -.13659045E+04 E0= -.13658813E+04 d E =-.881479E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134375587786E+04 -0.23060E-01 -0.10019E+01 2816 0.415E+00 0.128E+00 DAV: 2 -0.134378951615E+04 -0.33638E-01 -0.34715E-01 3264 0.686E-01 0.971E-01 DAV: 3 -0.134382766502E+04 -0.38149E-01 -0.75415E-01 3776 0.359E-01 0.179E+00 DAV: 4 -0.134377938830E+04 0.48277E-01 -0.20077E-01 3616 0.240E-01 0.443E-01 DAV: 5 -0.134378137948E+04 -0.19912E-02 -0.45595E-02 3584 0.123E-01 0.528E-01 DAV: 6 -0.134377896016E+04 0.24193E-02 -0.34199E-03 3264 0.688E-02 0.265E-01 DAV: 7 -0.134377864993E+04 0.31023E-03 -0.20715E-03 3136 0.373E-02 0.183E-01 DAV: 8 -0.134377839808E+04 0.25185E-03 -0.40982E-04 2720 0.259E-02 0.795E-02 DAV: 9 -0.134377839043E+04 0.76532E-05 -0.50905E-04 2336 0.185E-02 20 F= -.13659500E+04 E0= -.13659278E+04 d E =-.455062E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134376947220E+04 0.89259E-02 -0.11978E+01 2816 0.454E+00 0.140E+00 DAV: 2 -0.134381670126E+04 -0.47229E-01 -0.42991E-01 3264 0.761E-01 0.124E+00 DAV: 3 -0.134384973851E+04 -0.33037E-01 -0.93000E-01 3616 0.405E-01 0.166E+00 DAV: 4 -0.134379654943E+04 0.53189E-01 -0.12843E-01 3296 0.248E-01 0.362E-01 DAV: 5 -0.134379785124E+04 -0.13018E-02 -0.22281E-02 3232 0.117E-01 0.452E-01 DAV: 6 -0.134379716761E+04 0.68363E-03 -0.25947E-02 3904 0.839E-02 0.325E-01 DAV: 7 -0.134379631182E+04 0.85579E-03 -0.24472E-03 2880 0.487E-02 0.212E-01 DAV: 8 -0.134379617365E+04 0.13817E-03 -0.24739E-03 2752 0.376E-02 0.129E-01 DAV: 9 -0.134379605811E+04 0.11554E-03 -0.23181E-04 2496 0.150E-02 0.375E-02 DAV: 10 -0.134379608693E+04 -0.28813E-04 -0.36320E-05 2144 0.737E-03 21 F= -.13659676E+04 E0= -.13659457E+04 d E =-.630503E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134382547310E+04 -0.29415E-01 -0.53845E+00 2816 0.306E+00 0.741E-01 DAV: 2 -0.134385193761E+04 -0.26465E-01 -0.26765E-01 3328 0.511E-01 0.144E+00 DAV: 3 -0.134384813222E+04 0.38054E-02 -0.26426E-01 3648 0.232E-01 0.991E-01 DAV: 4 -0.134384444832E+04 0.36839E-02 -0.84488E-03 3296 0.156E-01 0.106E+00 DAV: 5 -0.134383742848E+04 0.70198E-02 -0.41642E-02 3680 0.990E-02 0.279E-01 DAV: 6 -0.134383740546E+04 0.23019E-04 -0.52271E-03 3168 0.693E-02 0.237E-01 DAV: 7 -0.134383709743E+04 0.30803E-03 -0.81788E-04 3104 0.321E-02 0.783E-02 DAV: 8 -0.134383709182E+04 0.56097E-05 -0.10535E-04 2432 0.118E-02 22 F= -.13660099E+04 E0= -.13659877E+04 d E =-.423547E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134379337080E+04 0.43727E-01 -0.48456E+01 2816 0.917E+00 0.221E+00 DAV: 2 -0.134397247212E+04 -0.17910E+00 -0.20944E+00 3296 0.150E+00 0.237E+00 DAV: 3 -0.134395561047E+04 0.16862E-01 -0.15584E+00 3808 0.636E-01 0.166E+00 DAV: 4 -0.134394739423E+04 0.82162E-02 -0.42784E-01 3136 0.362E-01 0.257E+00 DAV: 5 -0.134390479924E+04 0.42595E-01 -0.26376E-01 3424 0.216E-01 0.836E-01 DAV: 6 -0.134391392760E+04 -0.91284E-02 -0.24329E-01 3456 0.276E-01 0.150E+00 DAV: 7 -0.134390522783E+04 0.86998E-02 -0.26888E-01 3296 0.234E-01 0.806E-01 DAV: 8 -0.134389836359E+04 0.68642E-02 -0.49024E-03 3136 0.101E-01 0.195E-01 DAV: 9 -0.134389816358E+04 0.20001E-03 -0.12313E-03 3104 0.365E-02 0.104E-01 DAV: 10 -0.134389836194E+04 -0.19836E-03 -0.73809E-04 2624 0.255E-02 0.191E-01 DAV: 11 -0.134389831868E+04 0.43267E-04 -0.10733E-04 2208 0.150E-02 23 F= -.13660749E+04 E0= -.13660524E+04 d E =-.107306E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.134392198647E+04 -0.23625E-01 -0.53080E+00 2816 0.304E+00 0.967E-01 DAV: 2 -0.134394113552E+04 -0.19149E-01 -0.20486E-01 3392 0.523E-01 0.103E+00 DAV: 3 -0.134395462905E+04 -0.13494E-01 -0.20898E-01 3936 0.281E-01 0.121E+00 DAV: 4 -0.134394853976E+04 0.60893E-02 -0.27508E-02 3232 0.199E-01 0.148E+00 DAV: 5 -0.134393584468E+04 0.12695E-01 -0.61141E-02 3520 0.137E-01 0.523E-01 DAV: 6 -0.134393552148E+04 0.32320E-03 -0.17146E-02 3264 0.128E-01 0.515E-01 DAV: 7 -0.134393376614E+04 0.17553E-02 -0.12433E-02 3264 0.734E-02 0.133E-01 DAV: 8 -0.134393373008E+04 0.36062E-04 -0.11715E-03 2656 0.293E-02 0.987E-02 DAV: 9 -0.134393371141E+04 0.18667E-04 -0.61927E-05 2336 0.989E-03 24 F= -.13661132E+04 E0= -.13660912E+04 d E =-.383211E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134393020441E+04 0.35257E-02 -0.67967E+00 2816 0.345E+00 0.108E+00 DAV: 2 -0.134395089995E+04 -0.20696E-01 -0.22444E-01 3360 0.578E-01 0.834E-01 DAV: 3 -0.134397476735E+04 -0.23867E-01 -0.14833E-01 3872 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N E dE d eps ncg rms rms(c) DAV: 1 -0.134401457576E+04 -0.21331E-01 -0.64239E+00 2816 0.332E+00 0.931E-01 DAV: 2 -0.134403562145E+04 -0.21046E-01 -0.21819E-01 3328 0.550E-01 0.996E-01 DAV: 3 -0.134404924459E+04 -0.13623E-01 -0.16775E-01 3904 0.270E-01 0.116E+00 DAV: 4 -0.134403989032E+04 0.93543E-02 -0.96527E-03 3328 0.191E-01 0.126E+00 DAV: 5 -0.134403000777E+04 0.98825E-02 -0.41195E-02 3616 0.117E-01 0.397E-01 DAV: 6 -0.134403090391E+04 -0.89613E-03 -0.12908E-02 3168 0.112E-01 0.532E-01 DAV: 7 -0.134402908243E+04 0.18215E-02 -0.10014E-02 3296 0.766E-02 0.160E-01 DAV: 8 -0.134402889682E+04 0.18561E-03 -0.77807E-04 2784 0.276E-02 0.443E-02 DAV: 9 -0.134402891974E+04 -0.22921E-04 -0.73974E-05 2240 0.983E-03 28 F= -.13662215E+04 E0= -.13662002E+04 d E =-.364184E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134399903833E+04 0.29858E-01 -0.26779E+01 2816 0.678E+00 0.193E+00 DAV: 2 -0.134412893821E+04 -0.12990E+00 -0.15451E+00 3360 0.116E+00 0.209E+00 DAV: 3 -0.134410335099E+04 0.25587E-01 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-.13662654E+04 d E =-.342545E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134410468780E+04 -0.14262E-01 -0.65070E+00 2816 0.334E+00 0.813E-01 DAV: 2 -0.134412191799E+04 -0.17230E-01 -0.18343E-01 3328 0.525E-01 0.694E-01 DAV: 3 -0.134413708612E+04 -0.15168E-01 -0.10721E-01 3712 0.223E-01 0.116E+00 DAV: 4 -0.134412233481E+04 0.14751E-01 -0.64099E-03 3264 0.158E-01 0.748E-01 DAV: 5 -0.134411897274E+04 0.33621E-02 -0.33925E-02 3424 0.916E-02 0.329E-01 DAV: 6 -0.134411995631E+04 -0.98356E-03 -0.65795E-03 3168 0.882E-02 0.507E-01 DAV: 7 -0.134411840181E+04 0.15545E-02 -0.99330E-03 3328 0.644E-02 0.133E-01 DAV: 8 -0.134411832443E+04 0.77385E-04 -0.84094E-04 2592 0.253E-02 32 F= -.13663152E+04 E0= -.13662945E+04 d E =-.291793E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134410233058E+04 0.16071E-01 -0.14239E+01 2816 0.495E+00 0.120E+00 DAV: 2 -0.134413729007E+04 -0.34959E-01 -0.39005E-01 3296 0.771E-01 0.781E-01 DAV: 3 -0.134415826142E+04 -0.20971E-01 -0.17363E-01 3648 0.287E-01 0.127E+00 DAV: 4 -0.134413836472E+04 0.19897E-01 -0.10581E-02 3200 0.200E-01 0.951E-01 DAV: 5 -0.134413333853E+04 0.50262E-02 -0.56992E-02 3392 0.122E-01 0.425E-01 DAV: 6 -0.134413706197E+04 -0.37234E-02 -0.13560E-02 3232 0.131E-01 0.885E-01 DAV: 7 -0.134413278612E+04 0.42758E-02 -0.39174E-02 3520 0.114E-01 0.288E-01 DAV: 8 -0.134413212094E+04 0.66518E-03 -0.23988E-03 2880 0.451E-02 0.437E-02 DAV: 9 -0.134413213776E+04 -0.16818E-04 -0.25928E-04 2880 0.178E-02 33 F= -.13663307E+04 E0= -.13663106E+04 d E =-.447137E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134413990200E+04 -0.77811E-02 -0.70745E+00 2816 0.346E+00 0.100E+00 DAV: 2 -0.134417179553E+04 -0.31894E-01 -0.21113E-01 3328 0.586E-01 0.120E+00 DAV: 3 -0.134417711078E+04 -0.53152E-02 -0.32197E-01 3360 0.288E-01 0.156E+00 DAV: 4 -0.134415682585E+04 0.20285E-01 -0.18054E-01 3168 0.189E-01 0.499E-01 DAV: 5 -0.134415611119E+04 0.71465E-03 -0.39513E-03 3168 0.109E-01 0.352E-01 DAV: 6 -0.134415540708E+04 0.70412E-03 -0.45415E-03 3424 0.555E-02 0.152E-01 DAV: 7 -0.134415529702E+04 0.11006E-03 -0.25348E-03 2816 0.300E-02 0.878E-02 DAV: 8 -0.134415527365E+04 0.23369E-04 -0.36574E-04 2176 0.163E-02 34 F= -.13663549E+04 E0= -.13663346E+04 d E =-.241531E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134414958567E+04 0.57113E-02 -0.49235E+00 2816 0.289E+00 0.823E-01 DAV: 2 -0.134416675562E+04 -0.17170E-01 -0.13879E-01 3328 0.474E-01 0.848E-01 DAV: 3 -0.134418311816E+04 -0.16363E-01 -0.28294E-01 3296 0.228E-01 0.162E+00 DAV: 4 -0.134416099482E+04 0.22123E-01 -0.17095E-01 3232 0.168E-01 0.340E-01 DAV: 5 -0.134416134404E+04 -0.34922E-03 -0.20952E-02 3488 0.865E-02 0.303E-01 DAV: 6 -0.134416044275E+04 0.90129E-03 -0.50685E-03 3136 0.557E-02 0.777E-02 DAV: 7 -0.134416043820E+04 0.45478E-05 -0.59549E-04 2848 0.267E-02 35 F= -.13663609E+04 E0= -.13663412E+04 d E =-.301152E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134416887081E+04 -0.84281E-02 -0.38208E+00 2816 0.255E+00 0.730E-01 DAV: 2 -0.134418098570E+04 -0.12115E-01 -0.14351E-01 3264 0.427E-01 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0.512E-02 0.111E-01 DAV: 7 -0.134418245555E+04 0.80347E-04 -0.13201E-03 2720 0.235E-02 0.280E-02 DAV: 8 -0.134418246116E+04 -0.56128E-05 -0.76554E-05 2272 0.848E-03 37 F= -.13663818E+04 E0= -.13663619E+04 d E =-.209784E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134419469485E+04 -0.12239E-01 -0.35047E+00 2816 0.246E+00 0.588E-01 DAV: 2 -0.134420361831E+04 -0.89235E-02 -0.92783E-02 3200 0.382E-01 0.413E-01 DAV: 3 -0.134421381046E+04 -0.10192E-01 -0.68008E-03 3488 0.155E-01 0.101E+00 DAV: 4 -0.134420240883E+04 0.11402E-01 -0.24398E-03 3264 0.113E-01 0.207E-01 DAV: 5 -0.134420254003E+04 -0.13120E-03 -0.93150E-03 3232 0.542E-02 0.203E-01 DAV: 6 -0.134420235267E+04 0.18736E-03 -0.28900E-03 3040 0.444E-02 0.131E-01 DAV: 7 -0.134420226447E+04 0.88207E-04 -0.22944E-04 2624 0.228E-02 38 F= -.13663999E+04 E0= -.13663802E+04 d E =-.180541E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134417127788E+04 0.31075E-01 -0.27482E+01 2816 0.688E+00 0.166E+00 DAV: 2 -0.134423809755E+04 -0.66820E-01 -0.72547E-01 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-0.16297E-01 3296 0.220E-01 0.136E+00 DAV: 4 -0.134425169139E+04 0.14098E-01 -0.97066E-02 3232 0.148E-01 0.318E-01 DAV: 5 -0.134425189983E+04 -0.20844E-03 -0.13541E-02 3296 0.824E-02 0.280E-01 DAV: 6 -0.134425122948E+04 0.67035E-03 -0.71474E-03 3392 0.495E-02 0.128E-01 DAV: 7 -0.134425114283E+04 0.86649E-04 -0.37104E-04 2816 0.261E-02 40 F= -.13664420E+04 E0= -.13664219E+04 d E =-.185942E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134424266899E+04 0.85605E-02 -0.10227E+01 2816 0.417E+00 0.111E+00 DAV: 2 -0.134428454301E+04 -0.41874E-01 -0.27964E-01 3232 0.687E-01 0.127E+00 DAV: 3 -0.134429283734E+04 -0.82943E-02 -0.42700E-01 3360 0.325E-01 0.171E+00 DAV: 4 -0.134426630057E+04 0.26537E-01 -0.21507E-01 3296 0.216E-01 0.501E-01 DAV: 5 -0.134426607094E+04 0.22963E-03 -0.25957E-02 3392 0.123E-01 0.428E-01 DAV: 6 -0.134426493885E+04 0.11321E-02 -0.17570E-02 3424 0.734E-02 0.251E-01 DAV: 7 -0.134426456088E+04 0.37798E-03 -0.15235E-03 2944 0.458E-02 0.943E-02 DAV: 8 -0.134426455761E+04 0.32669E-05 -0.25658E-04 2656 0.196E-02 41 F= -.13664526E+04 E0= -.13664321E+04 d E =-.292515E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134427304271E+04 -0.84818E-02 -0.40406E+00 2816 0.262E+00 0.695E-01 DAV: 2 -0.134428505396E+04 -0.12011E-01 -0.11650E-01 3168 0.421E-01 0.628E-01 DAV: 3 -0.134429844417E+04 -0.13390E-01 -0.45047E-02 3520 0.198E-01 0.112E+00 DAV: 4 -0.134428421261E+04 0.14232E-01 -0.40921E-03 3200 0.137E-01 0.474E-01 DAV: 5 -0.134428267553E+04 0.15371E-02 -0.20719E-02 3360 0.721E-02 0.269E-01 DAV: 6 -0.134428304850E+04 -0.37296E-03 -0.23638E-03 2976 0.645E-02 0.341E-01 DAV: 7 -0.134428227492E+04 0.77357E-03 -0.28910E-03 3104 0.414E-02 0.558E-02 DAV: 8 -0.134428231303E+04 -0.38110E-04 -0.20950E-04 2560 0.156E-02 42 F= -.13664673E+04 E0= -.13664468E+04 d E =-.147217E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134427510138E+04 0.71735E-02 -0.83457E+00 2816 0.377E+00 0.992E-01 DAV: 2 -0.134429639147E+04 -0.21290E-01 -0.23712E-01 3168 0.600E-01 0.529E-01 DAV: 3 -0.134430731935E+04 -0.10928E-01 -0.74166E-02 3712 0.203E-01 0.103E+00 DAV: 4 -0.134429688987E+04 0.10429E-01 -0.54584E-03 3296 0.146E-01 0.665E-01 DAV: 5 -0.134429449916E+04 0.23907E-02 -0.37247E-02 3392 0.939E-02 0.282E-01 DAV: 6 -0.134429459813E+04 -0.98966E-04 -0.24872E-03 3136 0.703E-02 0.275E-01 DAV: 7 -0.134429413228E+04 0.46585E-03 -0.56834E-03 3520 0.485E-02 0.112E-01 DAV: 8 -0.134429409012E+04 0.42165E-04 -0.68287E-04 2688 0.257E-02 43 F= -.13664747E+04 E0= -.13664542E+04 d E =-.220805E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134430301830E+04 -0.88860E-02 -0.30601E+00 2816 0.228E+00 0.497E-01 DAV: 2 -0.134431143466E+04 -0.84164E-02 -0.86558E-02 3200 0.361E-01 0.435E-01 DAV: 3 -0.134431878432E+04 -0.73497E-02 -0.34566E-02 3392 0.135E-01 0.111E+00 DAV: 4 -0.134431006699E+04 0.87173E-02 -0.24089E-02 3232 0.104E-01 0.225E-01 DAV: 5 -0.134431045192E+04 -0.38492E-03 -0.62802E-03 3104 0.581E-02 0.252E-01 DAV: 6 -0.134430997490E+04 0.47701E-03 -0.83028E-03 3360 0.459E-02 0.747E-02 DAV: 7 -0.134430995696E+04 0.17936E-04 -0.57286E-04 2496 0.195E-02 44 F= -.13664874E+04 E0= -.13664676E+04 d E =-.127043E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134428618257E+04 0.23792E-01 -0.20902E+01 2816 0.595E+00 0.131E+00 DAV: 2 -0.134434731755E+04 -0.61135E-01 -0.61204E-01 3200 0.952E-01 0.117E+00 DAV: 3 -0.134437606170E+04 -0.28744E-01 -0.61240E-01 3392 0.355E-01 0.189E+00 DAV: 4 -0.134433421910E+04 0.41843E-01 -0.24874E-01 3200 0.246E-01 0.527E-01 DAV: 5 -0.134433433366E+04 -0.11457E-03 -0.18568E-02 3200 0.138E-01 0.450E-01 DAV: 6 -0.134433420764E+04 0.12603E-03 -0.48416E-02 3872 0.104E-01 0.365E-01 DAV: 7 -0.134433324923E+04 0.95840E-03 -0.95981E-03 3424 0.596E-02 0.192E-01 DAV: 8 -0.134433306675E+04 0.18248E-03 -0.49487E-04 2912 0.321E-02 0.808E-02 DAV: 9 -0.134433304468E+04 0.22070E-04 -0.15424E-04 2144 0.134E-02 45 F= -.13665021E+04 E0= -.13664823E+04 d E =-.273943E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134434374876E+04 -0.10682E-01 -0.38234E+00 2816 0.254E+00 0.755E-01 DAV: 2 -0.134435406605E+04 -0.10317E-01 -0.12340E-01 3328 0.410E-01 0.432E-01 DAV: 3 -0.134435581785E+04 -0.17518E-02 -0.74389E-02 3968 0.137E-01 0.637E-01 DAV: 4 -0.134435300003E+04 0.28178E-02 -0.41033E-02 3936 0.931E-02 0.353E-01 DAV: 5 -0.134435324781E+04 -0.24778E-03 -0.14948E-03 2688 0.608E-02 0.419E-01 DAV: 6 -0.134435214136E+04 0.11065E-02 -0.30834E-03 3040 0.516E-02 0.574E-02 DAV: 7 -0.134435218297E+04 -0.41614E-04 -0.34395E-04 2976 0.224E-02 46 F= -.13665171E+04 E0= -.13664971E+04 d E =-.150150E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134435250815E+04 -0.36679E-03 -0.44646E+00 2816 0.275E+00 0.823E-01 DAV: 2 -0.134436441382E+04 -0.11906E-01 -0.14164E-01 3328 0.443E-01 0.434E-01 DAV: 3 -0.134436672049E+04 -0.23067E-02 -0.72555E-02 3936 0.144E-01 0.764E-01 DAV: 4 -0.134436443198E+04 0.22885E-02 -0.40305E-02 3872 0.108E-01 0.520E-01 DAV: 5 -0.134436296686E+04 0.14651E-02 -0.26469E-03 2912 0.670E-02 0.319E-01 DAV: 6 -0.134436235665E+04 0.61021E-03 -0.37361E-03 3072 0.507E-02 0.708E-02 DAV: 7 -0.134436238919E+04 -0.32538E-04 -0.38556E-04 3104 0.243E-02 47 F= -.13665228E+04 E0= -.13665029E+04 d E =-.207270E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134437234712E+04 -0.99905E-02 -0.28945E+00 2816 0.222E+00 0.555E-01 DAV: 2 -0.134437961558E+04 -0.72685E-02 -0.81547E-02 3264 0.352E-01 0.320E-01 DAV: 3 -0.134438452948E+04 -0.49139E-02 -0.87204E-03 3392 0.115E-01 0.770E-01 DAV: 4 -0.134437902966E+04 0.54998E-02 -0.17847E-03 3232 0.879E-02 0.212E-01 DAV: 5 -0.134437935307E+04 -0.32341E-03 -0.11634E-02 3232 0.568E-02 0.241E-01 DAV: 6 -0.134437882812E+04 0.52495E-03 -0.43434E-03 3264 0.423E-02 0.489E-02 DAV: 7 -0.134437884920E+04 -0.21082E-04 -0.23025E-04 2752 0.178E-02 48 F= -.13665346E+04 E0= -.13665149E+04 d E =-.117681E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134437981666E+04 -0.98854E-03 -0.47316E+00 2816 0.284E+00 0.709E-01 DAV: 2 -0.134439178046E+04 -0.11964E-01 -0.13327E-01 3232 0.451E-01 0.429E-01 DAV: 3 -0.134440075529E+04 -0.89748E-02 -0.15284E-02 3424 0.157E-01 0.977E-01 DAV: 4 -0.134439071237E+04 0.10043E-01 -0.30010E-03 3264 0.118E-01 0.265E-01 DAV: 5 -0.134439109359E+04 -0.38122E-03 -0.18381E-02 3232 0.711E-02 0.283E-01 DAV: 6 -0.134439039306E+04 0.70053E-03 -0.51826E-03 3264 0.520E-02 0.785E-02 DAV: 7 -0.134439040087E+04 -0.78021E-05 -0.46547E-04 2912 0.233E-02 49 F= -.13665401E+04 E0= -.13665205E+04 d E =-.172693E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134440016485E+04 -0.97718E-02 -0.21617E+00 2816 0.191E+00 0.522E-01 DAV: 2 -0.134440879191E+04 -0.86271E-02 -0.64961E-02 3360 0.315E-01 0.658E-01 DAV: 3 -0.134441349203E+04 -0.47001E-02 -0.30625E-02 3520 0.151E-01 0.108E+00 DAV: 4 -0.134440525212E+04 0.82399E-02 -0.18706E-02 3136 0.105E-01 0.208E-01 DAV: 5 -0.134440531415E+04 -0.62031E-04 -0.24255E-03 3040 0.511E-02 0.145E-01 DAV: 6 -0.134440525130E+04 0.62853E-04 -0.37561E-03 3104 0.326E-02 0.106E-01 DAV: 7 -0.134440516584E+04 0.85460E-04 -0.63959E-04 2272 0.167E-02 50 F= -.13665508E+04 E0= -.13665314E+04 d E =-.107516E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134439213596E+04 0.13115E-01 -0.15161E+01 2816 0.505E+00 0.138E+00 DAV: 2 -0.134445048028E+04 -0.58344E-01 -0.45816E-01 3360 0.837E-01 0.138E+00 DAV: 3 -0.134446608556E+04 -0.15605E-01 -0.62330E-01 3456 0.382E-01 0.189E+00 DAV: 4 -0.134442889980E+04 0.37186E-01 -0.28666E-01 3200 0.253E-01 0.593E-01 DAV: 5 -0.134442741157E+04 0.14882E-02 -0.11658E-02 3232 0.132E-01 0.362E-01 DAV: 6 -0.134442772883E+04 -0.31726E-03 -0.22481E-02 3584 0.817E-02 0.382E-01 DAV: 7 -0.134442680543E+04 0.92341E-03 -0.82242E-03 3136 0.549E-02 0.159E-01 DAV: 8 -0.134442671903E+04 0.86396E-04 -0.43535E-04 2656 0.263E-02 51 F= -.13665616E+04 E0= -.13665416E+04 d E =-.215326E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134443340254E+04 -0.65971E-02 -0.44119E+00 2816 0.273E+00 0.716E-01 DAV: 2 -0.134444550270E+04 -0.12100E-01 -0.12815E-01 3136 0.436E-01 0.493E-01 DAV: 3 -0.134445739154E+04 -0.11889E-01 -0.10621E-01 3360 0.166E-01 0.136E+00 DAV: 4 -0.134444403799E+04 0.13354E-01 -0.83487E-02 3104 0.134E-01 0.316E-01 DAV: 5 -0.134444445374E+04 -0.41576E-03 -0.10932E-02 3392 0.762E-02 0.310E-01 DAV: 6 -0.134444364810E+04 0.80564E-03 -0.11212E-02 3648 0.595E-02 0.760E-02 DAV: 7 -0.134444364421E+04 0.38944E-05 -0.55165E-04 2720 0.212E-02 52 F= -.13665728E+04 E0= -.13665535E+04 d E =-.111716E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134444341682E+04 0.23128E-03 -0.38488E+00 2816 0.255E+00 0.675E-01 DAV: 2 -0.134445528843E+04 -0.11872E-01 -0.11203E-01 3136 0.410E-01 0.609E-01 DAV: 3 -0.134446798114E+04 -0.12693E-01 -0.14213E-01 3424 0.179E-01 0.143E+00 DAV: 4 -0.134445258321E+04 0.15398E-01 -0.10042E-01 3264 0.137E-01 0.281E-01 DAV: 5 -0.134445287130E+04 -0.28809E-03 -0.10627E-02 3392 0.708E-02 0.250E-01 DAV: 6 -0.134445234689E+04 0.52441E-03 -0.79839E-03 3392 0.553E-02 0.832E-02 DAV: 7 -0.134445232113E+04 0.25764E-04 -0.52475E-04 2560 0.211E-02 53 F= -.13665760E+04 E0= -.13665568E+04 d E =-.144177E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134446091691E+04 -0.85700E-02 -0.49686E+00 2816 0.290E+00 0.777E-01 DAV: 2 -0.134447321773E+04 -0.12301E-01 -0.13864E-01 3104 0.461E-01 0.320E-01 DAV: 3 -0.134447286322E+04 0.35451E-03 -0.70789E-03 3520 0.933E-02 0.264E-01 DAV: 4 -0.134447433397E+04 -0.14707E-02 -0.10390E-02 3616 0.778E-02 0.477E-01 DAV: 5 -0.134447386049E+04 0.47347E-03 -0.21044E-03 3040 0.734E-02 0.459E-01 DAV: 6 -0.134447236332E+04 0.14972E-02 -0.89991E-03 3232 0.565E-02 0.714E-02 DAV: 7 -0.134447241069E+04 -0.47373E-04 -0.40399E-04 2784 0.235E-02 54 F= -.13665895E+04 E0= -.13665703E+04 d E =-.134633E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134447255671E+04 -0.19339E-03 -0.43165E+00 2816 0.270E+00 0.732E-01 DAV: 2 -0.134448324529E+04 -0.10689E-01 -0.12054E-01 3136 0.430E-01 0.299E-01 DAV: 3 -0.134448294906E+04 0.29623E-03 -0.72855E-03 3520 0.884E-02 0.237E-01 DAV: 4 -0.134448410696E+04 -0.11579E-02 -0.10313E-02 3520 0.723E-02 0.489E-01 DAV: 5 -0.134448353639E+04 0.57056E-03 -0.12551E-03 2880 0.659E-02 0.351E-01 DAV: 6 -0.134448252880E+04 0.10076E-02 -0.31804E-03 3104 0.506E-02 0.620E-02 DAV: 7 -0.134448254421E+04 -0.15404E-04 -0.39587E-04 2720 0.210E-02 55 F= -.13665934E+04 E0= -.13665744E+04 d E =-.173595E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134449083163E+04 -0.83028E-02 -0.46039E+00 2816 0.276E+00 0.658E-01 DAV: 2 -0.134450438196E+04 -0.13550E-01 -0.12715E-01 3168 0.442E-01 0.629E-01 DAV: 3 -0.134451644468E+04 -0.12063E-01 -0.13144E-01 3328 0.182E-01 0.144E+00 DAV: 4 -0.134450123366E+04 0.15211E-01 -0.87508E-02 3136 0.134E-01 0.243E-01 DAV: 5 -0.134450168929E+04 -0.45563E-03 -0.98955E-03 3328 0.728E-02 0.254E-01 DAV: 6 -0.134450115477E+04 0.53452E-03 -0.82138E-03 3488 0.493E-02 0.882E-02 DAV: 7 -0.134450111906E+04 0.35705E-04 -0.61871E-04 2880 0.227E-02 56 F= -.13666056E+04 E0= -.13665864E+04 d E =-.122041E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134449930908E+04 0.18457E-02 -0.63938E+00 2816 0.325E+00 0.781E-01 DAV: 2 -0.134451871396E+04 -0.19405E-01 -0.17656E-01 3168 0.523E-01 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0.263E-02 0.282E-02 DAV: 8 -0.134452954928E+04 -0.12780E-04 -0.11500E-04 2400 0.128E-02 58 F= -.13666205E+04 E0= -.13666011E+04 d E =-.100370E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134453160426E+04 -0.20678E-02 -0.12022E+00 2816 0.142E+00 0.419E-01 DAV: 2 -0.134453484739E+04 -0.32431E-02 -0.35032E-02 3232 0.226E-01 0.226E-01 DAV: 3 -0.134453766756E+04 -0.28202E-02 -0.12150E-02 3712 0.907E-02 0.587E-01 DAV: 4 -0.134453475377E+04 0.29138E-02 -0.11556E-03 2976 0.655E-02 0.227E-01 DAV: 5 -0.134453447744E+04 0.27633E-03 -0.52151E-03 3040 0.376E-02 0.106E-01 DAV: 6 -0.134453446403E+04 0.13412E-04 -0.39002E-04 2912 0.249E-02 59 F= -.13666221E+04 E0= -.13666025E+04 d E =-.116082E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.134454166957E+04 -0.71921E-02 -0.39702E+00 2816 0.260E+00 0.685E-01 DAV: 2 -0.134455957590E+04 -0.17906E-01 -0.11526E-01 3264 0.430E-01 0.965E-01 DAV: 3 -0.134455975080E+04 -0.17490E-03 -0.39327E-02 3328 0.198E-01 0.116E+00 DAV: 4 -0.134455129374E+04 0.84571E-02 -0.31774E-02 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N E dE d eps ncg rms rms(c) DAV: 1 -0.134475915297E+04 -0.43618E-02 -0.81541E-01 2816 0.117E+00 0.295E-01 DAV: 2 -0.134476118104E+04 -0.20281E-02 -0.23103E-02 3296 0.186E-01 0.195E-01 DAV: 3 -0.134476232614E+04 -0.11451E-02 -0.47446E-03 3552 0.648E-02 0.477E-01 DAV: 4 -0.134476104979E+04 0.12763E-02 -0.72244E-04 2560 0.498E-02 0.173E-01 DAV: 5 -0.134476097989E+04 0.69895E-04 -0.23555E-03 2816 0.334E-02 0.115E-01 DAV: 6 -0.134476088336E+04 0.96532E-04 -0.13295E-03 2656 0.251E-02 0.268E-02 DAV: 7 -0.134476088723E+04 -0.38722E-05 -0.87637E-05 2112 0.109E-02 84 F= -.13667600E+04 E0= -.13667415E+04 d E =-.399026E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134476158937E+04 -0.70600E-03 -0.37640E+00 2816 0.251E+00 0.640E-01 DAV: 2 -0.134477120508E+04 -0.96157E-02 -0.10651E-01 3264 0.398E-01 0.456E-01 DAV: 3 -0.134477837855E+04 -0.71735E-02 -0.15111E-02 3552 0.147E-01 0.121E+00 DAV: 4 -0.134477004575E+04 0.83328E-02 -0.30398E-03 3168 0.116E-01 0.333E-01 DAV: 5 -0.134477014226E+04 -0.96507E-04 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-0.134478855441E+04 0.40713E-04 -0.28227E-04 2112 0.128E-02 88 F= -.13667746E+04 E0= -.13667563E+04 d E =-.406998E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134478884441E+04 -0.24928E-03 -0.25924E+00 2816 0.208E+00 0.526E-01 DAV: 2 -0.134479834282E+04 -0.94984E-02 -0.66804E-02 3232 0.331E-01 0.715E-01 DAV: 3 -0.134479924292E+04 -0.90010E-03 -0.41394E-03 3328 0.141E-01 0.903E-01 DAV: 4 -0.134479445218E+04 0.47907E-02 -0.16009E-03 3072 0.911E-02 0.252E-01 DAV: 5 -0.134479453882E+04 -0.86649E-04 -0.37972E-03 3168 0.676E-02 0.195E-01 DAV: 6 -0.134479435213E+04 0.18670E-03 -0.40814E-03 3424 0.369E-02 0.124E-01 DAV: 7 -0.134479423838E+04 0.11375E-03 -0.42461E-04 2432 0.188E-02 0.261E-02 DAV: 8 -0.134479424556E+04 -0.71732E-05 -0.65821E-05 2016 0.969E-03 89 F= -.13667768E+04 E0= -.13667583E+04 d E =-.621473E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134479908024E+04 -0.48419E-02 -0.15289E+00 2816 0.160E+00 0.437E-01 DAV: 2 -0.134480297843E+04 -0.38982E-02 -0.40015E-02 3232 0.251E-01 0.297E-01 DAV: 3 -0.134480879712E+04 -0.58187E-02 -0.27785E-03 3296 0.108E-01 0.102E+00 DAV: 4 -0.134480226638E+04 0.65307E-02 -0.12670E-03 2912 0.862E-02 0.136E-01 DAV: 5 -0.134480245754E+04 -0.19116E-03 -0.23252E-03 2976 0.436E-02 0.122E-01 DAV: 6 -0.134480232555E+04 0.13199E-03 -0.21860E-03 2848 0.267E-02 0.365E-02 DAV: 7 -0.134480232026E+04 0.52937E-05 -0.14162E-04 2272 0.104E-02 90 F= -.13667819E+04 E0= -.13667637E+04 d E =-.514773E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134480376309E+04 -0.14375E-02 -0.47379E-01 2816 0.892E-01 0.245E-01 DAV: 2 -0.134480502590E+04 -0.12628E-02 -0.12513E-02 3232 0.140E-01 0.185E-01 DAV: 3 -0.134480692279E+04 -0.18969E-02 -0.94284E-04 3072 0.629E-02 0.582E-01 DAV: 4 -0.134480474734E+04 0.21754E-02 -0.38262E-04 2464 0.501E-02 0.737E-02 DAV: 5 -0.134480484928E+04 -0.10194E-03 -0.11765E-03 2848 0.261E-02 0.844E-02 DAV: 6 -0.134480477926E+04 0.70015E-04 -0.87855E-04 2272 0.167E-02 91 F= -.13667828E+04 E0= -.13667644E+04 d E =-.596769E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134480998931E+04 -0.51400E-02 -0.13886E+00 2816 0.153E+00 0.411E-01 DAV: 2 -0.134481392064E+04 -0.39313E-02 -0.34754E-02 3328 0.239E-01 0.446E-01 DAV: 3 -0.134481700417E+04 -0.30835E-02 -0.25890E-03 3392 0.105E-01 0.691E-01 DAV: 4 -0.134481270215E+04 0.43020E-02 -0.11360E-03 3008 0.749E-02 0.117E-01 DAV: 5 -0.134481301041E+04 -0.30826E-03 -0.33169E-03 3264 0.487E-02 0.177E-01 DAV: 6 -0.134481279790E+04 0.21252E-03 -0.24120E-03 2816 0.271E-02 0.857E-02 DAV: 7 -0.134481275084E+04 0.47053E-04 -0.17089E-04 2336 0.136E-02 92 F= -.13667873E+04 E0= -.13667690E+04 d E =-.457307E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134481486464E+04 -0.20667E-02 -0.11820E+00 2816 0.141E+00 0.379E-01 DAV: 2 -0.134481813122E+04 -0.32666E-02 -0.29733E-02 3296 0.220E-01 0.387E-01 DAV: 3 -0.134482105869E+04 -0.29275E-02 -0.22536E-03 3392 0.967E-02 0.659E-01 DAV: 4 -0.134481720097E+04 0.38577E-02 -0.10032E-03 2944 0.702E-02 0.108E-01 DAV: 5 -0.134481748469E+04 -0.28372E-03 -0.33907E-03 3104 0.460E-02 0.163E-01 DAV: 6 -0.134481727174E+04 0.21294E-03 -0.23768E-03 2752 0.267E-02 0.682E-02 DAV: 7 -0.134481724438E+04 0.27366E-04 -0.14139E-04 2368 0.127E-02 93 F= -.13667887E+04 E0= -.13667703E+04 d E =-.591469E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134482141839E+04 -0.41466E-02 -0.11991E+00 2816 0.140E+00 0.441E-01 DAV: 2 -0.134482523116E+04 -0.38128E-02 -0.32451E-02 3360 0.222E-01 0.409E-01 DAV: 3 -0.134483071095E+04 -0.54798E-02 -0.34607E-03 3360 0.120E-01 0.106E+00 DAV: 4 -0.134482388599E+04 0.68250E-02 -0.23746E-03 2848 0.907E-02 0.144E-01 DAV: 5 -0.134482400020E+04 -0.11421E-03 -0.37381E-03 3104 0.389E-02 0.116E-01 DAV: 6 -0.134482389106E+04 0.10914E-03 -0.18408E-03 2816 0.271E-02 0.439E-02 DAV: 7 -0.134482388407E+04 0.69922E-05 -0.12093E-04 2080 0.109E-02 94 F= -.13667926E+04 E0= -.13667743E+04 d E =-.396423E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134482534045E+04 -0.14494E-02 -0.14366E+00 2816 0.154E+00 0.485E-01 DAV: 2 -0.134483008559E+04 -0.47451E-02 -0.39078E-02 3360 0.244E-01 0.471E-01 DAV: 3 -0.134483619891E+04 -0.61133E-02 -0.41528E-03 3360 0.131E-01 0.114E+00 DAV: 4 -0.134482831433E+04 0.78846E-02 -0.37301E-03 3008 0.100E-01 0.167E-01 DAV: 5 -0.134482839055E+04 -0.76220E-04 -0.46440E-03 3200 0.426E-02 0.124E-01 DAV: 6 -0.134482827217E+04 0.11838E-03 -0.20312E-03 2880 0.295E-02 0.522E-02 DAV: 7 -0.134482826072E+04 0.11453E-04 -0.15333E-04 2240 0.122E-02 95 F= -.13667941E+04 E0= -.13667757E+04 d E =-.539127E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134483221918E+04 -0.39470E-02 -0.16956E+00 2816 0.166E+00 0.398E-01 DAV: 2 -0.134483607139E+04 -0.38522E-02 -0.41149E-02 3264 0.253E-01 0.261E-01 DAV: 3 -0.134483901002E+04 -0.29386E-02 -0.17150E-03 3296 0.855E-02 0.634E-01 DAV: 4 -0.134483562886E+04 0.33812E-02 -0.85919E-04 2976 0.666E-02 0.118E-01 DAV: 5 -0.134483573589E+04 -0.10702E-03 -0.15252E-03 3008 0.408E-02 0.895E-02 DAV: 6 -0.134483569292E+04 0.42970E-04 -0.12522E-03 2688 0.225E-02 0.534E-02 DAV: 7 -0.134483567166E+04 0.21255E-04 -0.23528E-04 2304 0.116E-02 96 F= -.13667983E+04 E0= -.13667801E+04 d E =-.424991E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134483705543E+04 -0.13625E-02 -0.90343E-01 2816 0.121E+00 0.293E-01 DAV: 2 -0.134483917279E+04 -0.21174E-02 -0.22063E-02 3264 0.186E-01 0.209E-01 DAV: 3 -0.134484111639E+04 -0.19436E-02 -0.10462E-03 3264 0.680E-02 0.527E-01 DAV: 4 -0.134483886972E+04 0.22467E-02 -0.52014E-04 2816 0.529E-02 0.862E-02 DAV: 5 -0.134483897230E+04 -0.10258E-03 -0.12637E-03 3008 0.329E-02 0.855E-02 DAV: 6 -0.134483891368E+04 0.58627E-04 -0.93983E-04 2432 0.186E-02 97 F= -.13667992E+04 E0= -.13667809E+04 d E =-.516856E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134484309660E+04 -0.41243E-02 -0.22348E+00 2816 0.192E+00 0.475E-01 DAV: 2 -0.134484873088E+04 -0.56343E-02 -0.56512E-02 3232 0.294E-01 0.409E-01 DAV: 3 -0.134485415853E+04 -0.54276E-02 -0.45968E-03 3296 0.121E-01 0.104E+00 DAV: 4 -0.134484767522E+04 0.64833E-02 -0.14503E-03 3008 0.941E-02 0.222E-01 DAV: 5 -0.134484790669E+04 -0.23147E-03 -0.59642E-03 3200 0.566E-02 0.191E-01 DAV: 6 -0.134484755781E+04 0.34888E-03 -0.52060E-03 3424 0.414E-02 0.465E-02 DAV: 7 -0.134484755062E+04 0.71899E-05 -0.23122E-04 2400 0.147E-02 98 F= -.13668042E+04 E0= -.13667861E+04 d E =-.500965E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134484897519E+04 -0.14174E-02 -0.10268E+00 2816 0.130E+00 0.319E-01 DAV: 2 -0.134485163039E+04 -0.26552E-02 -0.26419E-02 3232 0.200E-01 0.288E-01 DAV: 3 -0.134485395315E+04 -0.23228E-02 -0.25802E-03 3328 0.823E-02 0.683E-01 DAV: 4 -0.134485111328E+04 0.28399E-02 -0.70898E-04 2688 0.636E-02 0.155E-01 DAV: 5 -0.134485119630E+04 -0.83012E-04 -0.32962E-03 3104 0.378E-02 0.129E-01 DAV: 6 -0.134485104081E+04 0.15549E-03 -0.21198E-03 2784 0.286E-02 0.255E-02 DAV: 7 -0.134485104223E+04 -0.14253E-05 -0.91272E-05 2080 0.105E-02 99 F= -.13668052E+04 E0= -.13667871E+04 d E =-.602290E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134485502637E+04 -0.39856E-02 -0.25406E+00 2816 0.204E+00 0.486E-01 DAV: 2 -0.134486130285E+04 -0.62765E-02 -0.60181E-02 3200 0.307E-01 0.412E-01 DAV: 3 -0.134486775790E+04 -0.64550E-02 -0.36743E-03 3264 0.126E-01 0.113E+00 DAV: 4 -0.134486002478E+04 0.77331E-02 -0.17897E-03 3008 0.972E-02 0.171E-01 DAV: 5 -0.134486036140E+04 -0.33663E-03 -0.54846E-03 3328 0.562E-02 0.182E-01 DAV: 6 -0.134486003952E+04 0.32188E-03 -0.45991E-03 3296 0.373E-02 0.498E-02 DAV: 7 -0.134486002984E+04 0.96783E-05 -0.23896E-04 2432 0.144E-02 100 F= -.13668102E+04 E0= -.13667920E+04 d E =-.491002E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134486125629E+04 -0.12168E-02 -0.16935E+00 2816 0.166E+00 0.399E-01 DAV: 2 -0.134486559009E+04 -0.43338E-02 -0.40608E-02 3232 0.252E-01 0.361E-01 DAV: 3 -0.134486975659E+04 -0.41665E-02 -0.27367E-03 3232 0.105E-01 0.920E-01 DAV: 4 -0.134486461655E+04 0.51400E-02 -0.12746E-03 2880 0.799E-02 0.143E-01 DAV: 5 -0.134486486150E+04 -0.24495E-03 -0.43576E-03 3136 0.463E-02 0.157E-01 DAV: 6 -0.134486461991E+04 0.24159E-03 -0.33121E-03 2880 0.324E-02 0.396E-02 DAV: 7 -0.134486461599E+04 0.39190E-05 -0.16298E-04 2272 0.128E-02 101 F= -.13668114E+04 E0= -.13667932E+04 d E =-.613578E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134486913991E+04 -0.45200E-02 -0.24715E+00 2816 0.200E+00 0.533E-01 DAV: 2 -0.134487653409E+04 -0.73942E-02 -0.59300E-02 3232 0.307E-01 0.643E-01 DAV: 3 -0.134488052531E+04 -0.39912E-02 -0.55937E-03 3424 0.140E-01 0.811E-01 DAV: 4 -0.134487421824E+04 0.63071E-02 -0.18429E-03 3200 0.907E-02 0.195E-01 DAV: 5 -0.134487442723E+04 -0.20899E-03 -0.97485E-03 3552 0.586E-02 0.202E-01 DAV: 6 -0.134487416486E+04 0.26237E-03 -0.32492E-03 3136 0.375E-02 0.126E-01 DAV: 7 -0.134487407994E+04 0.84916E-04 -0.19929E-04 2624 0.184E-02 102 F= -.13668161E+04 E0= -.13667981E+04 d E =-.472459E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134487598848E+04 -0.18236E-02 -0.10539E+00 2816 0.131E+00 0.350E-01 DAV: 2 -0.134487890618E+04 -0.29177E-02 -0.25489E-02 3200 0.200E-01 0.359E-01 DAV: 3 -0.134488142347E+04 -0.25173E-02 -0.23275E-03 3296 0.923E-02 0.614E-01 DAV: 4 -0.134487813176E+04 0.32917E-02 -0.85275E-04 2880 0.656E-02 0.116E-01 DAV: 5 -0.134487830397E+04 -0.17221E-03 -0.45032E-03 3200 0.390E-02 0.139E-01 DAV: 6 -0.134487813848E+04 0.16549E-03 -0.16764E-03 2752 0.254E-02 0.522E-02 DAV: 7 -0.134487813011E+04 0.83674E-05 -0.78280E-05 2336 0.108E-02 103 F= -.13668170E+04 E0= -.13667990E+04 d E =-.566170E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134488253751E+04 -0.43990E-02 -0.18800E+00 2816 0.174E+00 0.449E-01 DAV: 2 -0.134488741156E+04 -0.48741E-02 -0.45878E-02 3296 0.266E-01 0.379E-01 DAV: 3 -0.134489320317E+04 -0.57916E-02 -0.27236E-03 3360 0.117E-01 0.106E+00 DAV: 4 -0.134488630230E+04 0.69009E-02 -0.12694E-03 3040 0.911E-02 0.148E-01 DAV: 5 -0.134488635776E+04 -0.55455E-04 -0.98200E-04 3104 0.432E-02 104 F= -.13668214E+04 E0= -.13668031E+04 d E =-.439965E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134488833666E+04 -0.20344E-02 -0.92422E-01 2816 0.122E+00 0.325E-01 DAV: 2 -0.134489098480E+04 -0.26481E-02 -0.23928E-02 3328 0.191E-01 0.322E-01 DAV: 3 -0.134489345093E+04 -0.24661E-02 -0.21495E-03 3328 0.884E-02 0.726E-01 DAV: 4 -0.134489022540E+04 0.32255E-02 -0.89101E-04 2752 0.651E-02 0.125E-01 DAV: 5 -0.134489033229E+04 -0.10689E-03 -0.28194E-03 3072 0.343E-02 0.113E-01 DAV: 6 -0.134489021374E+04 0.11855E-03 -0.16254E-03 2592 0.241E-02 0.287E-02 DAV: 7 -0.134489021424E+04 -0.50462E-06 -0.76897E-05 2048 0.988E-03 105 F= -.13668226E+04 E0= -.13668045E+04 d E =-.555630E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134489499177E+04 -0.47780E-02 -0.18690E+00 2816 0.173E+00 0.392E-01 DAV: 2 -0.134490023833E+04 -0.52466E-02 -0.48022E-02 3424 0.268E-01 0.470E-01 DAV: 3 -0.134490188623E+04 -0.16479E-02 -0.28200E-03 3392 0.103E-01 0.727E-01 DAV: 4 -0.134489880379E+04 0.30824E-02 -0.19897E-03 2816 0.732E-02 0.204E-01 DAV: 5 -0.134489893183E+04 -0.12804E-03 -0.55299E-03 3520 0.502E-02 0.174E-01 DAV: 6 -0.134489867624E+04 0.25559E-03 -0.42126E-03 3296 0.377E-02 0.589E-02 DAV: 7 -0.134489866278E+04 0.13461E-04 -0.27156E-04 2304 0.151E-02 106 F= -.13668275E+04 E0= -.13668094E+04 d E =-.494027E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134489953618E+04 -0.85993E-03 -0.31607E+00 2816 0.224E+00 0.513E-01 DAV: 2 -0.134490862603E+04 -0.90899E-02 -0.82740E-02 3424 0.351E-01 0.615E-01 DAV: 3 -0.134491107596E+04 -0.24499E-02 -0.49540E-03 3392 0.135E-01 0.938E-01 DAV: 4 -0.134490607415E+04 0.50018E-02 -0.42705E-03 3168 0.958E-02 0.277E-01 DAV: 5 -0.134490612132E+04 -0.47173E-04 -0.81019E-03 3616 0.636E-02 0.207E-01 DAV: 6 -0.134490580804E+04 0.31328E-03 -0.67515E-03 3616 0.486E-02 0.960E-02 DAV: 7 -0.134490575241E+04 0.55631E-04 -0.65868E-04 2496 0.201E-02 107 F= -.13668300E+04 E0= -.13668119E+04 d E =-.741223E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134491014179E+04 -0.43338E-02 -0.21132E+00 2816 0.182E+00 0.452E-01 DAV: 2 -0.134491506262E+04 -0.49208E-02 -0.52025E-02 3328 0.277E-01 0.289E-01 DAV: 3 -0.134491980856E+04 -0.47459E-02 -0.24623E-03 3296 0.101E-01 0.937E-01 DAV: 4 -0.134491447171E+04 0.53369E-02 -0.10190E-03 2912 0.792E-02 0.148E-01 DAV: 5 -0.134491456687E+04 -0.95161E-04 -0.14402E-03 2944 0.428E-02 0.833E-02 DAV: 6 -0.134491455402E+04 0.12850E-04 -0.17581E-03 2784 0.258E-02 0.588E-02 DAV: 7 -0.134491452007E+04 0.33951E-04 -0.38164E-04 2144 0.126E-02 108 F= -.13668345E+04 E0= -.13668165E+04 d E =-.446416E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134491599409E+04 -0.14401E-02 -0.21156E+00 2816 0.182E+00 0.452E-01 DAV: 2 -0.134492081328E+04 -0.48192E-02 -0.52111E-02 3328 0.277E-01 0.263E-01 DAV: 3 -0.134492427255E+04 -0.34593E-02 -0.25269E-03 3456 0.918E-02 0.805E-01 DAV: 4 -0.134492037068E+04 0.39019E-02 -0.89100E-04 2912 0.712E-02 0.161E-01 DAV: 5 -0.134492051482E+04 -0.14415E-03 -0.26294E-03 3072 0.458E-02 0.131E-01 DAV: 6 -0.134492036020E+04 0.15463E-03 -0.26235E-03 3008 0.293E-02 0.400E-02 DAV: 7 -0.134492035510E+04 0.51003E-05 -0.17426E-04 2144 0.115E-02 109 F= -.13668360E+04 E0= -.13668181E+04 d E =-.594757E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134492538696E+04 -0.50268E-02 -0.23617E+00 2816 0.194E+00 0.472E-01 DAV: 2 -0.134493142720E+04 -0.60402E-02 -0.57653E-02 3392 0.295E-01 0.412E-01 DAV: 3 -0.134493736387E+04 -0.59367E-02 -0.35436E-03 3296 0.123E-01 0.110E+00 DAV: 4 -0.134493010458E+04 0.72593E-02 -0.12967E-03 2944 0.897E-02 0.150E-01 DAV: 5 -0.134493025071E+04 -0.14613E-03 -0.14172E-03 3200 0.475E-02 0.986E-02 DAV: 6 -0.134493024422E+04 0.64902E-05 -0.16239E-03 3008 0.268E-02 0.734E-02 DAV: 7 -0.134493019215E+04 0.52062E-04 -0.48235E-04 2272 0.134E-02 110 F= -.13668409E+04 E0= -.13668230E+04 d E =-.495067E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134493086691E+04 -0.62270E-03 -0.42252E+00 2816 0.259E+00 0.631E-01 DAV: 2 -0.134494174964E+04 -0.10883E-01 -0.10330E-01 3328 0.395E-01 0.549E-01 DAV: 3 -0.134495198235E+04 -0.10233E-01 -0.38505E-02 3328 0.163E-01 0.143E+00 DAV: 4 -0.134493935975E+04 0.12623E-01 -0.27073E-02 3072 0.119E-01 0.208E-01 DAV: 5 -0.134493951942E+04 -0.15966E-03 -0.19541E-03 3168 0.619E-02 0.121E-01 DAV: 6 -0.134493952239E+04 -0.29693E-05 -0.16178E-03 3296 0.319E-02 0.873E-02 DAV: 7 -0.134493945034E+04 0.72045E-04 -0.82526E-04 2400 0.163E-02 111 F= -.13668436E+04 E0= -.13668256E+04 d E =-.759348E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134494492933E+04 -0.54069E-02 -0.32107E+00 2816 0.225E+00 0.526E-01 DAV: 2 -0.134495205748E+04 -0.71282E-02 -0.77901E-02 3296 0.339E-01 0.271E-01 DAV: 3 -0.134495247095E+04 -0.41347E-03 -0.70643E-03 3552 0.807E-02 0.332E-01 DAV: 4 -0.134495255424E+04 -0.83286E-04 -0.19295E-03 3136 0.655E-02 0.418E-01 DAV: 5 -0.134495194114E+04 0.61310E-03 -0.70427E-03 3040 0.584E-02 0.200E-01 DAV: 6 -0.134495158280E+04 0.35834E-03 -0.39673E-03 3328 0.429E-02 0.341E-02 DAV: 7 -0.134495159796E+04 -0.15157E-04 -0.16576E-04 2656 0.166E-02 112 F= -.13668494E+04 E0= -.13668314E+04 d E =-.582873E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134495384939E+04 -0.22666E-02 -0.25202E+00 2816 0.199E+00 0.469E-01 DAV: 2 -0.134495944254E+04 -0.55932E-02 -0.61297E-02 3296 0.300E-01 0.240E-01 DAV: 3 -0.134495952782E+04 -0.85279E-04 -0.65093E-03 3552 0.702E-02 0.239E-01 DAV: 4 -0.134495992031E+04 -0.39249E-03 -0.33726E-03 3168 0.585E-02 0.385E-01 DAV: 5 -0.134495941670E+04 0.50361E-03 -0.25495E-03 2880 0.508E-02 0.203E-01 DAV: 6 -0.134495905982E+04 0.35688E-03 -0.27706E-03 3232 0.390E-02 0.282E-02 DAV: 7 -0.134495907287E+04 -0.13048E-04 -0.13859E-04 2560 0.149E-02 113 F= -.13668512E+04 E0= -.13668332E+04 d E =-.764341E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134496472554E+04 -0.56657E-02 -0.34837E+00 2816 0.234E+00 0.554E-01 DAV: 2 -0.134497295741E+04 -0.82319E-02 -0.82969E-02 3264 0.350E-01 0.417E-01 DAV: 3 -0.134498049297E+04 -0.75356E-02 -0.34974E-03 3360 0.132E-01 0.119E+00 DAV: 4 -0.134497189331E+04 0.85997E-02 -0.16881E-03 3168 0.104E-01 0.221E-01 DAV: 5 -0.134497206471E+04 -0.17140E-03 -0.33495E-03 3072 0.615E-02 0.138E-01 DAV: 6 -0.134497193030E+04 0.13442E-03 -0.32937E-03 3360 0.342E-02 0.625E-02 DAV: 7 -0.134497189934E+04 0.30960E-04 -0.36379E-04 2368 0.157E-02 114 F= -.13668575E+04 E0= -.13668397E+04 d E =-.631369E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134497378647E+04 -0.18562E-02 -0.29271E+00 2816 0.214E+00 0.506E-01 DAV: 2 -0.134498074758E+04 -0.69611E-02 -0.70075E-02 3264 0.322E-01 0.385E-01 DAV: 3 -0.134498700003E+04 -0.62524E-02 -0.30897E-03 3360 0.120E-01 0.109E+00 DAV: 4 -0.134497983513E+04 0.71649E-02 -0.13684E-03 3040 0.949E-02 0.203E-01 DAV: 5 -0.134498002423E+04 -0.18910E-03 -0.32088E-03 3072 0.573E-02 0.140E-01 DAV: 6 -0.134497986982E+04 0.15441E-03 -0.32446E-03 3360 0.332E-02 0.566E-02 DAV: 7 -0.134497984639E+04 0.23429E-04 -0.29784E-04 2272 0.148E-02 115 F= -.13668594E+04 E0= -.13668416E+04 d E =-.822559E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134498487793E+04 -0.50081E-02 -0.32142E+00 2816 0.225E+00 0.498E-01 DAV: 2 -0.134499372379E+04 -0.88459E-02 -0.75823E-02 3200 0.339E-01 0.558E-01 DAV: 3 -0.134499733412E+04 -0.36103E-02 -0.34571E-03 3328 0.130E-01 0.989E-01 DAV: 4 -0.134499151754E+04 0.58166E-02 -0.12880E-03 3104 0.929E-02 0.222E-01 DAV: 5 -0.134499158553E+04 -0.67985E-04 -0.27091E-03 3360 0.621E-02 0.145E-01 DAV: 6 -0.134499148848E+04 0.97047E-04 -0.28135E-03 3360 0.326E-02 0.919E-02 DAV: 7 -0.134499142247E+04 0.66013E-04 -0.43147E-04 2432 0.170E-02 116 F= -.13668648E+04 E0= -.13668471E+04 d E =-.541662E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134499264585E+04 -0.11574E-02 -0.35670E+00 2816 0.237E+00 0.527E-01 DAV: 2 -0.134500269800E+04 -0.10052E-01 -0.84610E-02 3232 0.358E-01 0.606E-01 DAV: 3 -0.134500621390E+04 -0.35159E-02 -0.40142E-03 3360 0.138E-01 0.102E+00 DAV: 4 -0.134500005425E+04 0.61597E-02 -0.15187E-03 3104 0.975E-02 0.241E-01 DAV: 5 -0.134500014977E+04 -0.95526E-04 -0.36415E-03 3392 0.661E-02 0.171E-01 DAV: 6 -0.134499999045E+04 0.15932E-03 -0.40324E-03 3392 0.369E-02 0.105E-01 DAV: 7 -0.134499991178E+04 0.78675E-04 -0.48799E-04 2528 0.186E-02 117 F= -.13668668E+04 E0= -.13668491E+04 d E =-.734477E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134500571297E+04 -0.57225E-02 -0.35014E+00 2816 0.235E+00 0.589E-01 DAV: 2 -0.134501357265E+04 -0.78597E-02 -0.85193E-02 3264 0.357E-01 0.341E-01 DAV: 3 -0.134501649260E+04 -0.29199E-02 -0.11739E-02 3520 0.110E-01 0.630E-01 DAV: 4 -0.134501352313E+04 0.29695E-02 -0.18626E-03 3264 0.854E-02 0.331E-01 DAV: 5 -0.134501337194E+04 0.15119E-03 -0.13905E-02 3296 0.648E-02 0.222E-01 DAV: 6 -0.134501298024E+04 0.39170E-03 -0.33234E-03 3232 0.428E-02 0.527E-02 DAV: 7 -0.134501298581E+04 -0.55653E-05 -0.29156E-04 2624 0.193E-02 118 F= -.13668728E+04 E0= -.13668550E+04 d E =-.598990E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134501551459E+04 -0.25344E-02 -0.11814E+00 2944 0.136E+00 0.350E-01 DAV: 2 -0.134501824983E+04 -0.27352E-02 -0.29269E-02 3296 0.209E-01 0.216E-01 DAV: 3 -0.134501992538E+04 -0.16755E-02 -0.47130E-03 3456 0.730E-02 0.483E-01 DAV: 4 -0.134501813554E+04 0.17898E-02 -0.75350E-04 2880 0.570E-02 0.177E-01 DAV: 5 -0.134501810585E+04 0.29682E-04 -0.46223E-03 3072 0.378E-02 0.123E-01 DAV: 6 -0.134501799401E+04 0.11184E-03 -0.10706E-03 2880 0.251E-02 0.316E-02 DAV: 7 -0.134501799721E+04 -0.31967E-05 -0.92901E-05 2272 0.110E-02 119 F= -.13668736E+04 E0= -.13668560E+04 d E =-.685871E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134502343389E+04 -0.54399E-02 -0.29594E+00 2816 0.215E+00 0.563E-01 DAV: 2 -0.134503030845E+04 -0.68746E-02 -0.75774E-02 3392 0.332E-01 0.360E-01 DAV: 3 -0.134503587128E+04 -0.55628E-02 -0.10186E-02 3520 0.123E-01 0.106E+00 DAV: 4 -0.134502953216E+04 0.63391E-02 -0.24767E-03 3200 0.944E-02 0.235E-01 DAV: 5 -0.134502989521E+04 -0.36306E-03 -0.71681E-03 3264 0.612E-02 0.245E-01 DAV: 6 -0.134502940099E+04 0.49422E-03 -0.73228E-03 3456 0.478E-02 0.533E-02 DAV: 7 -0.134502939781E+04 0.31819E-05 -0.33746E-04 2592 0.166E-02 120 F= -.13668784E+04 E0= -.13668607E+04 d E =-.478241E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134503154961E+04 -0.21486E-02 -0.46683E-01 2944 0.856E-01 0.228E-01 DAV: 2 -0.134503272848E+04 -0.11789E-02 -0.12127E-02 3392 0.133E-01 0.174E-01 DAV: 3 -0.134503401862E+04 -0.12901E-02 -0.15920E-03 3200 0.569E-02 0.494E-01 DAV: 4 -0.134503251147E+04 0.15072E-02 -0.28991E-04 2528 0.430E-02 0.850E-02 DAV: 5 -0.134503258185E+04 -0.70389E-04 -0.15664E-03 2528 0.249E-02 0.856E-02 DAV: 6 -0.134503251959E+04 0.62264E-04 -0.86025E-04 2368 0.185E-02 121 F= -.13668789E+04 E0= -.13668612E+04 d E =-.526464E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134503836314E+04 -0.57813E-02 -0.18575E+00 2880 0.173E+00 0.518E-01 DAV: 2 -0.134504381558E+04 -0.54524E-02 -0.55723E-02 3328 0.279E-01 0.467E-01 DAV: 3 -0.134504907438E+04 -0.52588E-02 -0.78516E-03 3360 0.132E-01 0.109E+00 DAV: 4 -0.134504236139E+04 0.67130E-02 -0.30356E-03 3104 0.101E-01 0.247E-01 DAV: 5 -0.134504226249E+04 0.98892E-04 -0.64489E-03 3200 0.540E-02 0.151E-01 DAV: 6 -0.134504211230E+04 0.15019E-03 -0.36940E-03 3168 0.367E-02 0.619E-02 DAV: 7 -0.134504208837E+04 0.23929E-04 -0.38101E-04 2208 0.154E-02 122 F= -.13668836E+04 E0= -.13668659E+04 d E =-.468617E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134504414365E+04 -0.20313E-02 -0.41159E-01 2944 0.815E-01 0.250E-01 DAV: 2 -0.134504538128E+04 -0.12376E-02 -0.12306E-02 3328 0.131E-01 0.231E-01 DAV: 3 -0.134504668245E+04 -0.13012E-02 -0.22998E-03 3104 0.642E-02 0.526E-01 DAV: 4 -0.134504504832E+04 0.16341E-02 -0.60823E-04 2592 0.495E-02 0.119E-01 DAV: 5 -0.134504502353E+04 0.24789E-04 -0.19309E-03 2592 0.271E-02 0.707E-02 DAV: 6 -0.134504499209E+04 0.31442E-04 -0.63262E-04 2272 0.171E-02 123 F= -.13668842E+04 E0= -.13668665E+04 d E =-.528290E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134505037639E+04 -0.53529E-02 -0.20886E+00 2816 0.185E+00 0.505E-01 DAV: 2 -0.134505495499E+04 -0.45786E-02 -0.51309E-02 3360 0.285E-01 0.265E-01 DAV: 3 -0.134505491032E+04 0.44666E-04 -0.26428E-03 3456 0.602E-02 0.215E-01 DAV: 4 -0.134505667306E+04 -0.17627E-02 -0.25511E-03 3168 0.649E-02 0.574E-01 DAV: 5 -0.134505497808E+04 0.16950E-02 -0.16028E-03 2880 0.610E-02 0.180E-01 DAV: 6 -0.134505472104E+04 0.25705E-03 -0.30917E-03 3136 0.367E-02 0.452E-02 DAV: 7 -0.134505471963E+04 0.14040E-05 -0.22704E-04 2496 0.150E-02 124 F= -.13668891E+04 E0= -.13668715E+04 d E =-.491455E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134505651483E+04 -0.17938E-02 -0.43759E-01 2880 0.847E-01 0.234E-01 DAV: 2 -0.134505749666E+04 -0.98183E-03 -0.10912E-02 3360 0.131E-01 0.121E-01 DAV: 3 -0.134505747582E+04 0.20843E-04 -0.60202E-04 3168 0.276E-02 125 F= -.13668896E+04 E0= -.13668724E+04 d E =-.545921E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134506282433E+04 -0.53277E-02 -0.20604E+00 2816 0.183E+00 0.542E-01 DAV: 2 -0.134508190915E+04 -0.19085E-01 -0.53817E-02 3328 0.342E-01 0.109E+00 DAV: 3 -0.134506675914E+04 0.15150E-01 -0.71988E-03 3264 0.174E-01 0.291E-01 DAV: 4 -0.134506674765E+04 0.11497E-04 -0.26369E-03 3008 0.626E-02 0.213E-01 DAV: 5 -0.134506682727E+04 -0.79621E-04 -0.37326E-03 3584 0.559E-02 0.215E-01 DAV: 6 -0.134506663689E+04 0.19038E-03 -0.40551E-03 3104 0.347E-02 0.135E-01 DAV: 7 -0.134506655867E+04 0.78216E-04 -0.51617E-04 2272 0.235E-02 126 F= -.13668944E+04 E0= -.13668777E+04 d E =-.472600E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134506839741E+04 -0.17605E-02 -0.63311E-01 2816 0.101E+00 0.271E-01 DAV: 2 -0.134507098763E+04 -0.25902E-02 -0.17245E-02 3360 0.165E-01 0.409E-01 DAV: 3 -0.134507085899E+04 0.12864E-03 -0.15049E-03 3264 0.763E-02 0.438E-01 DAV: 4 -0.134506975373E+04 0.11053E-02 -0.20817E-03 2752 0.489E-02 0.123E-01 DAV: 5 -0.134506970774E+04 0.45992E-04 -0.20785E-03 2624 0.282E-02 0.769E-02 DAV: 6 -0.134506968165E+04 0.26090E-04 -0.61887E-04 2400 0.201E-02 127 F= -.13668951E+04 E0= -.13668772E+04 d E =-.542377E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134507464549E+04 -0.49378E-02 -0.21141E+00 2816 0.188E+00 0.626E-01 DAV: 2 -0.134508228887E+04 -0.76434E-02 -0.66803E-02 3360 0.316E-01 0.615E-01 DAV: 3 -0.134508925466E+04 -0.69658E-02 -0.87266E-03 3360 0.165E-01 0.132E+00 DAV: 4 -0.134507927313E+04 0.99815E-02 -0.90939E-03 3136 0.123E-01 0.261E-01 DAV: 5 -0.134507907732E+04 0.19581E-03 -0.83047E-03 3168 0.607E-02 0.152E-01 DAV: 6 -0.134507895327E+04 0.12405E-03 -0.35599E-03 3104 0.389E-02 0.906E-02 DAV: 7 -0.134507890073E+04 0.52546E-04 -0.50978E-04 2368 0.178E-02 128 F= -.13668997E+04 E0= -.13668820E+04 d E =-.461935E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134508005466E+04 -0.11014E-02 -0.15315E-01 2816 0.507E-01 0.178E-01 DAV: 2 -0.134508091126E+04 -0.85660E-03 -0.53647E-03 3360 0.898E-02 0.266E-01 DAV: 3 -0.134508090276E+04 0.84969E-05 -0.85954E-04 2752 0.487E-02 129 F= -.13669004E+04 E0= -.13668803E+04 d E =-.537959E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134508476915E+04 -0.38579E-02 -0.18091E+00 2816 0.174E+00 0.514E-01 DAV: 2 -0.134509045362E+04 -0.56845E-02 -0.43938E-02 3232 0.272E-01 0.526E-01 DAV: 3 -0.134509559949E+04 -0.51459E-02 -0.37928E-03 3264 0.133E-01 0.111E+00 DAV: 4 -0.134508842803E+04 0.71715E-02 -0.14230E-03 3008 0.945E-02 0.171E-01 DAV: 5 -0.134508860197E+04 -0.17393E-03 -0.16715E-03 3072 0.508E-02 0.126E-01 DAV: 6 -0.134508853818E+04 0.63786E-04 -0.15989E-03 2880 0.267E-02 0.806E-02 DAV: 7 -0.134508848785E+04 0.50334E-04 -0.35942E-04 2176 0.141E-02 130 F= -.13669039E+04 E0= -.13668862E+04 d E =-.346476E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134508968230E+04 -0.11441E-02 -0.17661E-01 2816 0.544E-01 0.165E-01 DAV: 2 -0.134509059545E+04 -0.91315E-03 -0.47889E-03 3232 0.912E-02 0.270E-01 DAV: 3 -0.134509046932E+04 0.12613E-03 -0.46333E-04 2624 0.458E-02 0.261E-01 DAV: 4 -0.134509007414E+04 0.39518E-03 -0.66122E-04 2400 0.279E-02 0.631E-02 DAV: 5 -0.134509007426E+04 -0.12660E-06 -0.84923E-04 2304 0.170E-02 131 F= -.13669042E+04 E0= -.13668867E+04 d E =-.376293E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134509473264E+04 -0.46585E-02 -0.11777E+00 2816 0.139E+00 0.479E-01 DAV: 2 -0.134509989838E+04 -0.51657E-02 -0.29130E-02 3232 0.224E-01 0.676E-01 DAV: 3 -0.134510171257E+04 -0.18142E-02 -0.37825E-03 3520 0.124E-01 0.702E-01 DAV: 4 -0.134509728494E+04 0.44276E-02 -0.95450E-04 2976 0.703E-02 0.174E-01 DAV: 5 -0.134509738544E+04 -0.10050E-03 -0.39731E-03 3168 0.467E-02 0.153E-01 DAV: 6 -0.134509727345E+04 0.11199E-03 -0.20825E-03 2944 0.276E-02 0.126E-01 DAV: 7 -0.134509717544E+04 0.98006E-04 -0.11337E-04 2528 0.145E-02 132 F= -.13669080E+04 E0= -.13668905E+04 d E =-.384728E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134509906887E+04 -0.17954E-02 -0.61613E-01 2816 0.101E+00 0.346E-01 DAV: 2 -0.134510118659E+04 -0.21177E-02 -0.15423E-02 3264 0.159E-01 0.361E-01 DAV: 3 -0.134510368651E+04 -0.24999E-02 -0.19426E-03 3456 0.892E-02 0.610E-01 DAV: 4 -0.134510037537E+04 0.33111E-02 -0.63995E-04 2752 0.606E-02 0.988E-02 DAV: 5 -0.134510049560E+04 -0.12023E-03 -0.22590E-03 3136 0.329E-02 0.106E-01 DAV: 6 -0.134510041322E+04 0.82378E-04 -0.10376E-03 2688 0.195E-02 0.682E-02 DAV: 7 -0.134510038752E+04 0.25698E-04 -0.59662E-05 2304 0.989E-03 133 F= -.13669089E+04 E0= -.13668915E+04 d E =-.470111E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134510396065E+04 -0.35474E-02 -0.11257E+00 2816 0.137E+00 0.434E-01 DAV: 2 -0.134510702920E+04 -0.30685E-02 -0.29716E-02 3264 0.216E-01 0.338E-01 DAV: 3 -0.134511198878E+04 -0.49596E-02 -0.43221E-03 3552 0.107E-01 0.983E-01 DAV: 4 -0.134510634185E+04 0.56469E-02 -0.12627E-03 2880 0.863E-02 0.185E-01 DAV: 5 -0.134510645971E+04 -0.11786E-03 -0.39294E-03 3168 0.450E-02 0.142E-01 DAV: 6 -0.134510626266E+04 0.19706E-03 -0.28058E-03 2816 0.305E-02 0.304E-02 DAV: 7 -0.134510626277E+04 -0.11059E-06 -0.14106E-04 2432 0.109E-02 134 F= -.13669128E+04 E0= -.13668954E+04 d E =-.392819E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134510723075E+04 -0.96810E-03 -0.37485E-01 2816 0.789E-01 0.253E-01 DAV: 2 -0.134510824440E+04 -0.10136E-02 -0.10001E-02 3232 0.125E-01 0.192E-01 DAV: 3 -0.134510992262E+04 -0.16782E-02 -0.18541E-03 3008 0.611E-02 0.560E-01 DAV: 4 -0.134510802872E+04 0.18939E-02 -0.42914E-04 2528 0.503E-02 0.108E-01 DAV: 5 -0.134510807190E+04 -0.43180E-04 -0.16709E-03 2784 0.267E-02 0.847E-02 DAV: 6 -0.134510800210E+04 0.69800E-04 -0.85112E-04 2368 0.179E-02 135 F= -.13669134E+04 E0= -.13668960E+04 d E =-.453719E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134511172207E+04 -0.36502E-02 -0.95398E-01 2816 0.126E+00 0.347E-01 DAV: 2 -0.134511417110E+04 -0.24490E-02 -0.23191E-02 3232 0.193E-01 0.271E-01 DAV: 3 -0.134511759078E+04 -0.34197E-02 -0.15607E-03 3328 0.877E-02 0.806E-01 DAV: 4 -0.134511364199E+04 0.39488E-02 -0.10076E-03 2752 0.680E-02 0.117E-01 DAV: 5 -0.134511380338E+04 -0.16138E-03 -0.25884E-03 3040 0.376E-02 0.114E-01 DAV: 6 -0.134511366897E+04 0.13441E-03 -0.17520E-03 2720 0.242E-02 0.263E-02 DAV: 7 -0.134511366986E+04 -0.88496E-06 -0.83049E-05 2176 0.982E-03 136 F= -.13669171E+04 E0= -.13668996E+04 d E =-.368557E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134511493734E+04 -0.12684E-02 -0.71393E-01 2880 0.109E+00 0.300E-01 DAV: 2 -0.134511680089E+04 -0.18636E-02 -0.17370E-02 3296 0.167E-01 0.242E-01 DAV: 3 -0.134511934670E+04 -0.25458E-02 -0.11627E-03 3168 0.760E-02 0.696E-01 DAV: 4 -0.134511637350E+04 0.29732E-02 -0.77907E-04 2592 0.595E-02 0.998E-02 DAV: 5 -0.134511650749E+04 -0.13399E-03 -0.20913E-03 3008 0.330E-02 0.102E-01 DAV: 6 -0.134511639833E+04 0.10916E-03 -0.13439E-03 2528 0.213E-02 0.222E-02 DAV: 7 -0.134511640025E+04 -0.19174E-05 -0.60124E-05 2048 0.879E-03 137 F= -.13669181E+04 E0= -.13669006E+04 d E =-.469070E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134512028227E+04 -0.38839E-02 -0.70835E-01 2816 0.109E+00 0.314E-01 DAV: 2 -0.134512309357E+04 -0.28113E-02 -0.17849E-02 3168 0.174E-01 0.476E-01 DAV: 3 -0.134512356820E+04 -0.47463E-03 -0.29974E-03 3392 0.839E-02 0.479E-01 DAV: 4 -0.134512181461E+04 0.17536E-02 -0.86957E-04 2816 0.517E-02 0.123E-01 DAV: 5 -0.134512176009E+04 0.54524E-04 -0.27471E-03 2880 0.302E-02 0.841E-02 DAV: 6 -0.134512173701E+04 0.23076E-04 -0.32810E-04 2592 0.192E-02 138 F= -.13669214E+04 E0= -.13669035E+04 d E =-.331759E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134512313482E+04 -0.13747E-02 -0.19628E+00 2816 0.182E+00 0.524E-01 DAV: 2 -0.134513034511E+04 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DAV: 4 -0.134529314973E+04 0.51595E-02 -0.16389E-03 3264 0.920E-02 0.241E-01 DAV: 5 -0.134529282182E+04 0.32792E-03 -0.90781E-03 3360 0.538E-02 0.130E-01 DAV: 6 -0.134529277866E+04 0.43160E-04 -0.63559E-04 3008 0.294E-02 177 F= -.13670162E+04 E0= -.13669985E+04 d E =-.551279E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134529547587E+04 -0.26540E-02 -0.48100E-01 2816 0.885E-01 0.269E-01 DAV: 2 -0.134529655861E+04 -0.10827E-02 -0.12441E-02 3328 0.138E-01 0.149E-01 DAV: 3 -0.134529762858E+04 -0.10700E-02 -0.33548E-03 3296 0.547E-02 0.445E-01 DAV: 4 -0.134529648304E+04 0.11455E-02 -0.95040E-04 2560 0.434E-02 0.120E-01 DAV: 5 -0.134529648082E+04 0.22148E-05 -0.12767E-03 2624 0.270E-02 0.825E-02 DAV: 6 -0.134529642560E+04 0.55219E-04 -0.74934E-04 2368 0.193E-02 178 F= -.13670195E+04 E0= -.13670024E+04 d E =-.328594E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134529605746E+04 0.42336E-03 -0.20278E+00 2816 0.182E+00 0.550E-01 DAV: 2 -0.134530134976E+04 -0.52923E-02 -0.52043E-02 3232 0.284E-01 0.434E-01 DAV: 3 -0.134530967246E+04 -0.83227E-02 -0.84740E-03 3488 0.138E-01 0.131E+00 DAV: 4 -0.134529991912E+04 0.97533E-02 -0.40388E-03 3136 0.108E-01 0.192E-01 DAV: 5 -0.134530009767E+04 -0.17855E-03 -0.24654E-03 3008 0.524E-02 0.132E-01 DAV: 6 -0.134529997126E+04 0.12641E-03 -0.30384E-03 3008 0.332E-02 0.575E-02 DAV: 7 -0.134529993973E+04 0.31528E-04 -0.39118E-04 2432 0.165E-02 179 F= -.13670223E+04 E0= -.13670052E+04 d E =-.607955E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134530195698E+04 -0.19857E-02 -0.85530E-01 2816 0.116E+00 0.367E-01 DAV: 2 -0.134530440745E+04 -0.24505E-02 -0.20826E-02 3264 0.178E-01 0.360E-01 DAV: 3 -0.134530723915E+04 -0.28317E-02 -0.41510E-03 3520 0.953E-02 0.628E-01 DAV: 4 -0.134530364245E+04 0.35967E-02 -0.76045E-04 2944 0.642E-02 0.122E-01 DAV: 5 -0.134530373322E+04 -0.90774E-04 -0.38017E-03 3328 0.371E-02 0.109E-01 DAV: 6 -0.134530362599E+04 0.10723E-03 -0.89291E-04 2752 0.222E-02 0.591E-02 DAV: 7 -0.134530361050E+04 0.15492E-04 -0.11125E-04 2368 0.108E-02 180 F= -.13670254E+04 E0= -.13670083E+04 d E =-.313342E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134530361424E+04 0.11749E-04 -0.70539E-01 2816 0.105E+00 0.342E-01 DAV: 2 -0.134530563373E+04 -0.20195E-02 -0.17189E-02 3264 0.162E-01 0.326E-01 DAV: 3 -0.134530822420E+04 -0.25905E-02 -0.33122E-03 3456 0.889E-02 0.598E-01 DAV: 4 -0.134530499047E+04 0.32337E-02 -0.66127E-04 2784 0.603E-02 0.110E-01 DAV: 5 -0.134530507758E+04 -0.87113E-04 -0.31273E-03 3296 0.340E-02 0.995E-02 DAV: 6 -0.134530498145E+04 0.96128E-04 -0.81616E-04 2720 0.200E-02 181 F= -.13670263E+04 E0= -.13670088E+04 d E =-.402716E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134530696869E+04 -0.18911E-02 -0.82411E-01 2816 0.114E+00 0.331E-01 DAV: 2 -0.134530886335E+04 -0.18947E-02 -0.22344E-02 3232 0.176E-01 0.205E-01 DAV: 3 -0.134530986248E+04 -0.99913E-03 -0.84702E-03 3680 0.663E-02 0.460E-01 DAV: 4 -0.134530891192E+04 0.95055E-03 -0.19316E-03 2816 0.528E-02 0.227E-01 DAV: 5 -0.134530861831E+04 0.29361E-03 -0.18812E-03 2752 0.381E-02 0.101E-01 DAV: 6 -0.134530855140E+04 0.66910E-04 -0.11115E-03 2784 0.250E-02 0.201E-02 DAV: 7 -0.134530855283E+04 -0.14282E-05 -0.55415E-05 2080 0.946E-03 182 F= -.13670295E+04 E0= -.13670124E+04 d E =-.322600E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134530776829E+04 0.78312E-03 -0.14483E+00 2816 0.151E+00 0.430E-01 DAV: 2 -0.134531109930E+04 -0.33310E-02 -0.39144E-02 3232 0.233E-01 0.268E-01 DAV: 3 -0.134531273932E+04 -0.16400E-02 -0.13686E-02 3840 0.855E-02 0.609E-01 DAV: 4 -0.134531111890E+04 0.16204E-02 -0.34830E-03 3040 0.682E-02 0.287E-01 DAV: 5 -0.134531066962E+04 0.44929E-03 -0.29226E-03 2944 0.491E-02 0.138E-01 DAV: 6 -0.134531053178E+04 0.13784E-03 -0.21830E-03 3168 0.335E-02 0.298E-02 DAV: 7 -0.134531053079E+04 0.98957E-06 -0.10837E-04 2112 0.129E-02 183 F= -.13670310E+04 E0= -.13670140E+04 d E =-.476071E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134531285165E+04 -0.23199E-02 -0.55504E-01 2816 0.934E-01 0.231E-01 DAV: 2 -0.134531403975E+04 -0.11881E-02 -0.12657E-02 3296 0.139E-01 0.135E-01 DAV: 3 -0.134531480814E+04 -0.76839E-03 -0.71258E-04 3040 0.453E-02 0.331E-01 DAV: 4 -0.134531394795E+04 0.86019E-03 -0.31248E-04 2368 0.367E-02 0.811E-02 DAV: 5 -0.134531396922E+04 -0.21274E-04 -0.46885E-04 2688 0.232E-02 184 F= -.13670341E+04 E0= -.13670172E+04 d E =-.304380E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134531295865E+04 0.98930E-03 -0.25784E+00 2816 0.201E+00 0.501E-01 DAV: 2 -0.134531843944E+04 -0.54808E-02 -0.58983E-02 3296 0.302E-01 0.314E-01 DAV: 3 -0.134532248607E+04 -0.40466E-02 -0.57041E-03 3488 0.107E-01 0.685E-01 DAV: 4 -0.134531794852E+04 0.45376E-02 -0.14972E-03 3232 0.850E-02 0.157E-01 DAV: 5 -0.134531825371E+04 -0.30519E-03 -0.61439E-03 3296 0.548E-02 0.171E-01 DAV: 6 -0.134531793892E+04 0.31479E-03 -0.27824E-03 3168 0.335E-02 0.354E-02 DAV: 7 -0.134531794298E+04 -0.40665E-05 -0.14005E-04 2560 0.154E-02 185 F= -.13670372E+04 E0= -.13670203E+04 d E =-.618429E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.134531987229E+04 -0.19334E-02 -0.41557E-01 2816 0.819E-01 0.328E-01 DAV: 2 -0.134532123855E+04 -0.13663E-02 -0.13680E-02 3200 0.135E-01 0.284E-01 DAV: 3 -0.134532362573E+04 -0.23872E-02 -0.84619E-03 3456 0.846E-02 0.565E-01 DAV: 4 -0.134532095515E+04 0.26706E-02 -0.85477E-04 2720 0.637E-02 0.177E-01 DAV: 5 -0.134532069380E+04 0.26135E-03 -0.34209E-03 2848 0.342E-02 0.788E-02 DAV: 6 -0.134532070029E+04 -0.64876E-05 -0.17236E-04 2656 0.166E-02 186 F= -.13670398E+04 E0= -.13670225E+04 d E =-.257786E-02