N E dE d eps ncg rms rms(c) DAV: 1 0.120936964380E+05 0.12094E+05 -0.55359E+05 2880 0.164E+03 DAV: 2 0.508542194143E+03 -0.11585E+05 -0.11230E+05 3808 0.362E+02 DAV: 3 -0.144835909834E+04 -0.19569E+04 -0.19500E+04 3392 0.149E+02 DAV: 4 -0.150572656593E+04 -0.57367E+02 -0.57161E+02 3456 0.293E+01 DAV: 5 -0.150857449026E+04 -0.28479E+01 -0.28461E+01 4608 0.471E+00 0.179E+02 DAV: 6 -0.135132987295E+04 0.15724E+03 -0.70768E+02 3392 0.295E+01 0.107E+02 DAV: 7 -0.135107921917E+04 0.25065E+00 -0.44918E+01 3488 0.794E+00 0.149E+01 DAV: 8 -0.135078590224E+04 0.29332E+00 -0.22361E+00 3840 0.204E+00 0.580E+00 DAV: 9 -0.135072903387E+04 0.56868E-01 -0.59067E-01 3360 0.115E+00 0.160E+00 DAV: 10 -0.135072296745E+04 0.60664E-02 -0.11116E-01 3968 0.565E-01 0.812E-01 DAV: 11 -0.135072490422E+04 -0.19368E-02 -0.31955E-02 3296 0.283E-01 0.415E-01 DAV: 12 -0.135072690504E+04 -0.20008E-02 -0.98777E-03 3328 0.178E-01 0.196E-01 DAV: 13 -0.135073305533E+04 -0.61503E-02 -0.61305E-03 3424 0.149E-01 0.118E-01 DAV: 14 -0.135074131046E+04 -0.82551E-02 -0.39436E-03 3392 0.117E-01 0.673E-02 DAV: 15 -0.135074910709E+04 -0.77966E-02 -0.17326E-03 3392 0.741E-02 0.441E-02 DAV: 16 -0.135075278454E+04 -0.36775E-02 -0.50768E-04 3520 0.320E-02 0.443E-02 DAV: 17 -0.135075428530E+04 -0.15008E-02 -0.51798E-05 3648 0.108E-02 0.309E-02 DAV: 18 -0.135075716852E+04 -0.28832E-02 -0.15062E-04 3200 0.157E-02 0.149E-02 DAV: 19 -0.135075773700E+04 -0.56848E-03 -0.45210E-05 3008 0.846E-03 0.158E-02 DAV: 20 -0.135075808409E+04 -0.34709E-03 -0.10394E-05 2560 0.438E-03 0.839E-03 DAV: 21 -0.135075860081E+04 -0.51672E-03 -0.13815E-05 2656 0.450E-03 0.419E-03 DAV: 22 -0.135075898718E+04 -0.38637E-03 -0.19274E-05 2592 0.510E-03 0.399E-03 DAV: 23 -0.135075914091E+04 -0.15374E-03 -0.36556E-06 2336 0.317E-03 0.203E-03 DAV: 24 -0.135075923749E+04 -0.96575E-04 -0.87852E-08 2240 0.167E-03 0.193E-03 DAV: 25 -0.135075929770E+04 -0.60206E-04 0.10907E-06 2240 0.101E-03 0.134E-03 DAV: 26 -0.135075937489E+04 -0.77198E-04 0.18709E-07 2208 0.120E-03 0.723E-04 DAV: 27 -0.135075940025E+04 -0.25352E-04 0.15749E-06 2208 0.685E-04 0.495E-04 DAV: 28 -0.135075941649E+04 -0.16242E-04 0.19706E-06 2144 0.483E-04 0.304E-04 DAV: 29 -0.135075942400E+04 -0.75076E-05 0.21837E-06 2144 0.356E-04 1 F= -.13716614E+04 E0= -.13716614E+04 d E =-.137166E+04 N E dE d eps ncg rms rms(c) DAV: 1 -0.135076003301E+04 -0.61653E-03 -0.14910E+00 2976 0.164E+00 0.814E-01 DAV: 2 -0.135076311114E+04 -0.30781E-02 -0.41232E-02 3296 0.263E-01 0.323E-01 DAV: 3 -0.135076254668E+04 0.56446E-03 -0.17913E-03 3456 0.679E-02 0.143E-01 DAV: 4 -0.135076245673E+04 0.89945E-04 -0.69302E-04 3264 0.397E-02 0.528E-02 DAV: 5 -0.135076244677E+04 0.99647E-05 -0.10179E-04 3424 0.178E-02 0.340E-02 DAV: 6 -0.135076244384E+04 0.29313E-05 -0.15873E-05 2592 0.714E-03 2 F= -.13716626E+04 E0= -.13716626E+04 d E =-.114023E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135076251908E+04 -0.72314E-04 -0.26602E-01 2944 0.692E-01 0.333E-01 DAV: 2 -0.135076306040E+04 -0.54132E-03 -0.72991E-03 3264 0.110E-01 0.136E-01 DAV: 3 -0.135076296554E+04 0.94863E-04 -0.31797E-04 3328 0.283E-02 0.610E-02 DAV: 4 -0.135076295692E+04 0.86146E-05 -0.12156E-04 3264 0.160E-02 0.262E-02 DAV: 5 -0.135076295759E+04 -0.66990E-06 -0.10340E-05 2400 0.653E-03 3 F= -.13716639E+04 E0= -.13716639E+04 d E =-.245116E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135076635498E+04 -0.33981E-02 -0.43923E-01 2944 0.895E-01 0.282E-01 DAV: 2 -0.135076723721E+04 -0.88223E-03 -0.10450E-02 3264 0.131E-01 0.103E-01 DAV: 3 -0.135076715693E+04 0.80280E-04 -0.30321E-04 3488 0.263E-02 0.555E-02 DAV: 4 -0.135076713816E+04 0.18773E-04 -0.15476E-04 3232 0.189E-02 0.213E-02 DAV: 5 -0.135076713657E+04 0.15823E-05 -0.20105E-05 2912 0.848E-03 4 F= -.13716668E+04 E0= -.13716668E+04 d E =-.292171E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135076884165E+04 -0.17035E-02 -0.86456E-01 2880 0.125E+00 0.404E-01 DAV: 2 -0.135077060246E+04 -0.17608E-02 -0.20726E-02 3328 0.184E-01 0.146E-01 DAV: 3 -0.135077044273E+04 0.15973E-03 -0.58198E-04 3456 0.369E-02 0.765E-02 DAV: 4 -0.135077040677E+04 0.35961E-04 -0.30846E-04 3232 0.265E-02 0.297E-02 DAV: 5 -0.135077040348E+04 0.32845E-05 -0.45900E-05 3392 0.122E-02 5 F= -.13716683E+04 E0= -.13716683E+04 d E =-.441027E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135077275334E+04 -0.23466E-02 -0.34165E-01 2944 0.789E-01 0.249E-01 DAV: 2 -0.135077346247E+04 -0.70913E-03 -0.83587E-03 3232 0.117E-01 0.117E-01 DAV: 3 -0.135077339057E+04 0.71900E-04 -0.24087E-04 3488 0.249E-02 0.621E-02 DAV: 4 -0.135077338072E+04 0.98437E-05 -0.14232E-04 3232 0.184E-02 0.224E-02 DAV: 5 -0.135077338213E+04 -0.14021E-05 -0.20840E-05 2848 0.829E-03 6 F= -.13716705E+04 E0= -.13716705E+04 d E =-.226144E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135077435278E+04 -0.97206E-03 -0.73227E-01 2944 0.115E+00 0.374E-01 DAV: 2 -0.135077588457E+04 -0.15318E-02 -0.17959E-02 3264 0.172E-01 0.176E-01 DAV: 3 -0.135077572773E+04 0.15684E-03 -0.51665E-04 3552 0.365E-02 0.909E-02 DAV: 4 -0.135077570190E+04 0.25829E-04 -0.29821E-04 3232 0.267E-02 0.334E-02 DAV: 5 -0.135077570229E+04 -0.39169E-06 -0.47260E-05 3328 0.119E-02 7 F= -.13716718E+04 E0= -.13716718E+04 d E =-.352302E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135077824916E+04 -0.25473E-02 -0.47412E-01 2944 0.921E-01 0.287E-01 DAV: 2 -0.135077927502E+04 -0.10259E-02 -0.11877E-02 3264 0.139E-01 0.118E-01 DAV: 3 -0.135077919208E+04 0.82948E-04 -0.29473E-04 3456 0.270E-02 0.651E-02 DAV: 4 -0.135077917749E+04 0.14589E-04 -0.18170E-04 3328 0.204E-02 0.251E-02 DAV: 5 -0.135077917822E+04 -0.72923E-06 -0.26120E-05 3200 0.924E-03 8 F= -.13716741E+04 E0= -.13716741E+04 d E =-.231835E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135078020453E+04 -0.10270E-02 -0.88064E-01 2944 0.125E+00 0.389E-01 DAV: 2 -0.135078210153E+04 -0.18970E-02 -0.21953E-02 3264 0.189E-01 0.158E-01 DAV: 3 -0.135078194042E+04 0.16111E-03 -0.54599E-04 3520 0.365E-02 0.884E-02 DAV: 4 -0.135078190410E+04 0.36321E-04 -0.33326E-04 3296 0.276E-02 0.348E-02 DAV: 5 -0.135078190271E+04 0.13899E-05 -0.50361E-05 3392 0.124E-02 9 F= -.13716753E+04 E0= -.13716753E+04 d E =-.345512E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135078406676E+04 -0.21627E-02 -0.19848E-01 2944 0.592E-01 0.127E-01 DAV: 2 -0.135078448372E+04 -0.41696E-03 -0.47360E-03 3232 0.874E-02 0.538E-02 DAV: 3 -0.135078446382E+04 0.19901E-04 -0.10016E-04 3456 0.154E-02 0.331E-02 DAV: 4 -0.135078446036E+04 0.34621E-05 -0.66592E-05 3296 0.128E-02 10 F= -.13716769E+04 E0= -.13716769E+04 d E =-.165696E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135078726989E+04 -0.28061E-02 -0.17916E+00 2816 0.178E+00 0.380E-01 DAV: 2 -0.135079096877E+04 -0.36989E-02 -0.42166E-02 3264 0.261E-01 0.166E-01 DAV: 3 -0.135079075489E+04 0.21387E-03 -0.93925E-04 3456 0.465E-02 0.100E-01 DAV: 4 -0.135079068595E+04 0.68942E-04 -0.62275E-04 3296 0.386E-02 0.413E-02 DAV: 5 -0.135079068509E+04 0.86494E-06 -0.99459E-05 3584 0.173E-02 11 F= -.13716804E+04 E0= -.13716804E+04 d E =-.516511E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135078291179E+04 0.77742E-02 -0.71520E+00 2816 0.355E+00 0.756E-01 DAV: 2 -0.135079776361E+04 -0.14852E-01 -0.16815E-01 3264 0.522E-01 0.328E-01 DAV: 3 -0.135079693496E+04 0.82865E-03 -0.37269E-03 3520 0.920E-02 0.198E-01 DAV: 4 -0.135079663446E+04 0.30050E-03 -0.24338E-03 3264 0.765E-02 0.816E-02 DAV: 5 -0.135079662700E+04 0.74602E-05 -0.39568E-04 3552 0.340E-02 0.390E-02 DAV: 6 -0.135079663842E+04 -0.11420E-04 -0.12593E-04 3232 0.154E-02 0.207E-02 DAV: 7 -0.135079664212E+04 -0.36917E-05 -0.64720E-06 2240 0.546E-03 12 F= -.13716809E+04 E0= -.13716809E+04 d E =-.562457E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135079232345E+04 0.43150E-02 -0.14266E+00 2816 0.159E+00 0.334E-01 DAV: 2 -0.135079527951E+04 -0.29561E-02 -0.33375E-02 3232 0.232E-01 0.147E-01 DAV: 3 -0.135079511992E+04 0.15958E-03 -0.72913E-04 3456 0.407E-02 0.889E-02 DAV: 4 -0.135079507318E+04 0.46748E-04 -0.47746E-04 3328 0.337E-02 0.362E-02 DAV: 5 -0.135079507514E+04 -0.19675E-05 -0.74752E-05 3552 0.150E-02 13 F= -.13716818E+04 E0= -.13716818E+04 d E =-.652461E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135079828387E+04 -0.32107E-02 -0.68274E-01 2816 0.110E+00 0.309E-01 DAV: 2 -0.135079976803E+04 -0.14842E-02 -0.16561E-02 3232 0.163E-01 0.138E-01 DAV: 3 -0.135079965650E+04 0.11153E-03 -0.38076E-04 3456 0.308E-02 0.783E-02 DAV: 4 -0.135079962924E+04 0.27259E-04 -0.25998E-04 3296 0.251E-02 0.263E-02 DAV: 5 -0.135079962725E+04 0.19905E-05 -0.44519E-05 3392 0.114E-02 14 F= -.13716845E+04 E0= -.13716845E+04 d E =-.268111E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135080072216E+04 -0.10929E-02 -0.16924E+00 2816 0.173E+00 0.499E-01 DAV: 2 -0.135080443019E+04 -0.37080E-02 -0.41370E-02 3264 0.257E-01 0.219E-01 DAV: 3 -0.135080416300E+04 0.26719E-03 -0.95320E-04 3424 0.494E-02 0.122E-01 DAV: 4 -0.135080409876E+04 0.64236E-04 -0.65932E-04 3264 0.401E-02 0.414E-02 DAV: 5 -0.135080409277E+04 0.59954E-05 -0.12145E-04 3456 0.185E-02 0.283E-02 DAV: 6 -0.135080409342E+04 -0.65302E-06 -0.22310E-05 3072 0.640E-03 15 F= -.13716860E+04 E0= -.13716860E+04 d E =-.418091E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135080693805E+04 -0.28453E-02 -0.83289E-01 2816 0.122E+00 0.290E-01 DAV: 2 -0.135080872293E+04 -0.17849E-02 -0.19924E-02 3232 0.179E-01 0.117E-01 DAV: 3 -0.135080861986E+04 0.10307E-03 -0.43921E-04 3456 0.318E-02 0.693E-02 DAV: 4 -0.135080859298E+04 0.26880E-04 -0.29674E-04 3264 0.273E-02 0.263E-02 DAV: 5 -0.135080859390E+04 -0.92588E-06 -0.50264E-05 3392 0.122E-02 16 F= -.13716886E+04 E0= -.13716886E+04 d E =-.266256E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135080861816E+04 -0.25185E-04 -0.23380E+00 2816 0.204E+00 0.486E-01 DAV: 2 -0.135081361728E+04 -0.49991E-02 -0.55754E-02 3296 0.300E-01 0.197E-01 DAV: 3 -0.135081331171E+04 0.30557E-03 -0.12235E-03 3456 0.535E-02 0.117E-01 DAV: 4 -0.135081322093E+04 0.90781E-04 -0.85320E-04 3296 0.459E-02 0.443E-02 DAV: 5 -0.135081321681E+04 0.41156E-05 -0.15000E-04 3520 0.208E-02 0.250E-02 DAV: 6 -0.135081321910E+04 -0.22906E-05 -0.38257E-05 3264 0.841E-03 17 F= -.13716901E+04 E0= -.13716901E+04 d E =-.418426E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135081565185E+04 -0.24350E-02 -0.92078E-01 2880 0.127E+00 0.289E-01 DAV: 2 -0.135081757822E+04 -0.19264E-02 -0.22029E-02 3232 0.189E-01 0.127E-01 DAV: 3 -0.135081748055E+04 0.97671E-04 -0.51277E-04 3456 0.334E-02 0.768E-02 DAV: 4 -0.135081745522E+04 0.25332E-04 -0.30941E-04 3296 0.269E-02 0.305E-02 DAV: 5 -0.135081745935E+04 -0.41274E-05 -0.48216E-05 3424 0.122E-02 18 F= -.13716928E+04 E0= -.13716928E+04 d E =-.269600E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135081840120E+04 -0.94598E-03 -0.11704E+00 2816 0.143E+00 0.332E-01 DAV: 2 -0.135082084981E+04 -0.24486E-02 -0.28078E-02 3232 0.213E-01 0.144E-01 DAV: 3 -0.135082071937E+04 0.13044E-03 -0.64835E-04 3456 0.379E-02 0.863E-02 DAV: 4 -0.135082068340E+04 0.35973E-04 -0.40054E-04 3296 0.303E-02 0.347E-02 DAV: 5 -0.135082068488E+04 -0.14826E-05 -0.61118E-05 3520 0.138E-02 19 F= -.13716943E+04 E0= -.13716943E+04 d E =-.416951E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135082114543E+04 -0.46203E-03 -0.19372E-01 2880 0.583E-01 0.139E-01 DAV: 2 -0.135082155402E+04 -0.40859E-03 -0.47008E-03 3232 0.870E-02 0.587E-02 DAV: 3 -0.135082153414E+04 0.19885E-04 -0.10467E-04 3456 0.156E-02 0.346E-02 DAV: 4 -0.135082153144E+04 0.26908E-05 -0.64809E-05 3296 0.124E-02 20 F= -.13716944E+04 E0= -.13716944E+04 d E =-.429998E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135082314381E+04 -0.16097E-02 -0.33803E-01 2816 0.765E-01 0.247E-01 DAV: 2 -0.135082390814E+04 -0.76433E-03 -0.86868E-03 3200 0.118E-01 0.105E-01 DAV: 3 -0.135082385586E+04 0.52273E-04 -0.19571E-04 3424 0.220E-02 0.583E-02 DAV: 4 -0.135082384852E+04 0.73464E-05 -0.12563E-04 3232 0.174E-02 0.189E-02 DAV: 5 -0.135082384966E+04 -0.11402E-05 -0.19226E-05 2880 0.799E-03 21 F= -.13716962E+04 E0= -.13716962E+04 d E =-.179213E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135082453952E+04 -0.69101E-03 -0.28418E-01 2816 0.702E-01 0.227E-01 DAV: 2 -0.135082518750E+04 -0.64798E-03 -0.73450E-03 3264 0.108E-01 0.951E-02 DAV: 3 -0.135082514151E+04 0.45988E-04 -0.15948E-04 3424 0.200E-02 0.526E-02 DAV: 4 -0.135082513326E+04 0.82519E-05 -0.99989E-05 3296 0.156E-02 22 F= -.13716970E+04 E0= -.13716970E+04 d E =-.259128E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135082770988E+04 -0.25684E-02 -0.44492E-01 2880 0.880E-01 0.211E-01 DAV: 2 -0.135082864102E+04 -0.93114E-03 -0.10481E-02 3232 0.130E-01 0.835E-02 DAV: 3 -0.135082858801E+04 0.53012E-04 -0.23448E-04 3456 0.233E-02 0.496E-02 DAV: 4 -0.135082857846E+04 0.95423E-05 -0.15601E-04 3264 0.191E-02 0.184E-02 DAV: 5 -0.135082857976E+04 -0.12994E-05 -0.21607E-05 3040 0.862E-03 23 F= -.13716999E+04 E0= -.13716999E+04 d E =-.283904E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135083027373E+04 -0.16953E-02 -0.95912E-01 2816 0.129E+00 0.314E-01 DAV: 2 -0.135083228617E+04 -0.20124E-02 -0.22535E-02 3232 0.190E-01 0.123E-01 DAV: 3 -0.135083216492E+04 0.12125E-03 -0.49749E-04 3456 0.339E-02 0.725E-02 DAV: 4 -0.135083213662E+04 0.28307E-04 -0.32734E-04 3232 0.277E-02 0.263E-02 DAV: 5 -0.135083213780E+04 -0.11838E-05 -0.50638E-05 3328 0.127E-02 24 F= -.13717025E+04 E0= -.13717025E+04 d E =-.549462E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135082646308E+04 0.56735E-02 -0.38359E+00 2816 0.259E+00 0.626E-01 DAV: 2 -0.135083451516E+04 -0.80521E-02 -0.90024E-02 3232 0.381E-01 0.247E-01 DAV: 3 -0.135083402969E+04 0.48547E-03 -0.20196E-03 3456 0.681E-02 0.145E-01 DAV: 4 -0.135083389467E+04 0.13502E-03 -0.13328E-03 3264 0.560E-02 0.527E-02 DAV: 5 -0.135083389503E+04 -0.36164E-06 -0.21273E-04 3392 0.252E-02 0.296E-02 DAV: 6 -0.135083389983E+04 -0.47987E-05 -0.75178E-05 3200 0.121E-02 25 F= -.13717025E+04 E0= -.13717025E+04 d E =-.541874E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135083196751E+04 0.19275E-02 -0.99997E-01 2816 0.132E+00 0.311E-01 DAV: 2 -0.135083405424E+04 -0.20867E-02 -0.23332E-02 3264 0.194E-01 0.127E-01 DAV: 3 -0.135083392739E+04 0.12685E-03 -0.51708E-04 3456 0.343E-02 0.755E-02 DAV: 4 -0.135083390237E+04 0.25020E-04 -0.34720E-04 3296 0.280E-02 0.269E-02 DAV: 5 -0.135083390534E+04 -0.29609E-05 -0.50631E-05 3328 0.125E-02 26 F= -.13717034E+04 E0= -.13717034E+04 d E =-.636856E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135083525736E+04 -0.13550E-02 -0.16511E-01 2912 0.530E-01 0.120E-01 DAV: 2 -0.135083560614E+04 -0.34878E-03 -0.38764E-03 3200 0.784E-02 0.528E-02 DAV: 3 -0.135083558776E+04 0.18376E-04 -0.79194E-05 3456 0.133E-02 0.311E-02 DAV: 4 -0.135083558407E+04 0.36917E-05 -0.49425E-05 3296 0.107E-02 27 F= -.13717046E+04 E0= -.13717046E+04 d E =-.121615E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135083641514E+04 -0.82738E-03 -0.14841E+00 2816 0.159E+00 0.374E-01 DAV: 2 -0.135083961582E+04 -0.32007E-02 -0.35458E-02 3264 0.237E-01 0.159E-01 DAV: 3 -0.135083945317E+04 0.16265E-03 -0.72913E-04 3424 0.409E-02 0.925E-02 DAV: 4 -0.135083942164E+04 0.31527E-04 -0.49625E-04 3264 0.329E-02 0.339E-02 DAV: 5 -0.135083942235E+04 -0.70814E-06 -0.77739E-05 3488 0.153E-02 28 F= -.13717071E+04 E0= -.13717071E+04 d E =-.365713E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135082945958E+04 0.99621E-02 -0.59250E+00 2816 0.317E+00 0.746E-01 DAV: 2 -0.135084231320E+04 -0.12854E-01 -0.14146E-01 3264 0.473E-01 0.315E-01 DAV: 3 -0.135084167463E+04 0.63857E-03 -0.28921E-03 3456 0.813E-02 0.183E-01 DAV: 4 -0.135084152712E+04 0.14751E-03 -0.19663E-03 3264 0.655E-02 0.666E-02 DAV: 5 -0.135084152819E+04 -0.10660E-05 -0.31608E-04 3520 0.302E-02 0.354E-02 DAV: 6 -0.135084154183E+04 -0.13644E-04 -0.89637E-05 3168 0.128E-02 0.197E-02 DAV: 7 -0.135084154518E+04 -0.33519E-05 -0.37495E-06 2240 0.477E-03 29 F= -.13717063E+04 E0= -.13717063E+04 d E =-.294326E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135083695938E+04 0.45824E-02 -0.20836E+00 2816 0.188E+00 0.437E-01 DAV: 2 -0.135084146461E+04 -0.45052E-02 -0.49586E-02 3264 0.280E-01 0.187E-01 DAV: 3 -0.135084123746E+04 0.22715E-03 -0.98937E-04 3456 0.476E-02 0.110E-01 DAV: 4 -0.135084119693E+04 0.40536E-04 -0.67603E-04 3264 0.382E-02 0.397E-02 DAV: 5 -0.135084119973E+04 -0.28031E-05 -0.10778E-04 3552 0.179E-02 0.202E-02 DAV: 6 -0.135084120464E+04 -0.49139E-05 -0.25214E-05 3104 0.693E-03 30 F= -.13717077E+04 E0= -.13717077E+04 d E =-.429236E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135084291901E+04 -0.17193E-02 -0.16503E-01 2816 0.525E-01 0.120E-01 DAV: 2 -0.135084325753E+04 -0.33852E-03 -0.39663E-03 3232 0.790E-02 0.571E-02 DAV: 3 -0.135084323757E+04 0.19963E-04 -0.97949E-05 3456 0.148E-02 0.343E-02 DAV: 4 -0.135084323336E+04 0.42117E-05 -0.58812E-05 3264 0.117E-02 31 F= -.13717093E+04 E0= -.13717093E+04 d E =-.157670E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135084450237E+04 -0.12648E-02 -0.14906E+00 2816 0.158E+00 0.365E-01 DAV: 2 -0.135084760134E+04 -0.30990E-02 -0.36194E-02 3296 0.238E-01 0.171E-01 DAV: 3 -0.135084742816E+04 0.17318E-03 -0.89994E-04 3456 0.446E-02 0.103E-01 DAV: 4 -0.135084737952E+04 0.48642E-04 -0.54212E-04 3232 0.350E-02 0.406E-02 DAV: 5 -0.135084737862E+04 0.89579E-06 -0.90811E-05 3584 0.168E-02 32 F= -.13717121E+04 E0= -.13717121E+04 d E =-.435735E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135083545704E+04 0.11922E-01 -0.59555E+00 2816 0.315E+00 0.727E-01 DAV: 2 -0.135084795490E+04 -0.12498E-01 -0.14460E-01 3232 0.475E-01 0.338E-01 DAV: 3 -0.135084727359E+04 0.68131E-03 -0.35154E-03 3520 0.879E-02 0.203E-01 DAV: 4 -0.135084705816E+04 0.21543E-03 -0.21409E-03 3232 0.696E-02 0.798E-02 DAV: 5 -0.135084705224E+04 0.59147E-05 -0.36734E-04 3616 0.332E-02 0.354E-02 DAV: 6 -0.135084706059E+04 -0.83432E-05 -0.97731E-05 3232 0.139E-02 33 F= -.13717090E+04 E0= -.13717090E+04 d E =-.127229E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135084153886E+04 0.55134E-02 -0.34897E+00 2816 0.241E+00 0.548E-01 DAV: 2 -0.135084884595E+04 -0.73071E-02 -0.84774E-02 3264 0.364E-01 0.261E-01 DAV: 3 -0.135084845113E+04 0.39482E-03 -0.21455E-03 3456 0.679E-02 0.157E-01 DAV: 4 -0.135084834154E+04 0.10958E-03 -0.12808E-03 3264 0.529E-02 0.620E-02 DAV: 5 -0.135084834246E+04 -0.91517E-06 -0.20497E-04 3584 0.247E-02 0.266E-02 DAV: 6 -0.135084834822E+04 -0.57550E-05 -0.56836E-05 3232 0.104E-02 34 F= -.13717124E+04 E0= -.13717124E+04 d E =-.468342E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135085019486E+04 -0.18524E-02 -0.19473E-01 2880 0.576E-01 0.157E-01 DAV: 2 -0.135085059708E+04 -0.40222E-03 -0.46600E-03 3264 0.857E-02 0.590E-02 DAV: 3 -0.135085057052E+04 0.26561E-04 -0.11610E-04 3456 0.163E-02 0.347E-02 DAV: 4 -0.135085056545E+04 0.50658E-05 -0.82908E-05 3328 0.141E-02 35 F= -.13717140E+04 E0= -.13717140E+04 d E =-.166479E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135085178077E+04 -0.12103E-02 -0.17617E+00 2816 0.173E+00 0.492E-01 DAV: 2 -0.135085549771E+04 -0.37169E-02 -0.42705E-02 3296 0.259E-01 0.175E-01 DAV: 3 -0.135085526726E+04 0.23045E-03 -0.10661E-03 3456 0.493E-02 0.102E-01 DAV: 4 -0.135085521662E+04 0.50639E-04 -0.74597E-04 3328 0.419E-02 0.410E-02 DAV: 5 -0.135085521153E+04 0.50847E-05 -0.12190E-04 3552 0.191E-02 0.230E-02 DAV: 6 -0.135085521182E+04 -0.29261E-06 -0.38677E-05 3232 0.890E-03 36 F= -.13717170E+04 E0= -.13717170E+04 d E =-.464763E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135084169238E+04 0.13519E-01 -0.70399E+00 2816 0.346E+00 0.981E-01 DAV: 2 -0.135085666537E+04 -0.14973E-01 -0.17035E-01 3328 0.516E-01 0.346E-01 DAV: 3 -0.135085572503E+04 0.94035E-03 -0.40955E-03 3488 0.963E-02 0.203E-01 DAV: 4 -0.135085549754E+04 0.22748E-03 -0.28848E-03 3296 0.823E-02 0.796E-02 DAV: 5 -0.135085547861E+04 0.18936E-04 -0.47647E-04 3552 0.375E-02 0.452E-02 DAV: 6 -0.135085548049E+04 -0.18860E-05 -0.15409E-04 3264 0.174E-02 0.248E-02 DAV: 7 -0.135085548093E+04 -0.43260E-06 -0.74098E-06 2272 0.812E-03 37 F= -.13717139E+04 E0= -.13717139E+04 d E =-.156276E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135084821713E+04 0.72634E-02 -0.41226E+00 2816 0.265E+00 0.745E-01 DAV: 2 -0.135085700987E+04 -0.87927E-02 -0.99896E-02 3328 0.395E-01 0.266E-01 DAV: 3 -0.135085647205E+04 0.53782E-03 -0.24113E-03 3456 0.739E-02 0.155E-01 DAV: 4 -0.135085636618E+04 0.10587E-03 -0.17248E-03 3296 0.624E-02 0.612E-02 DAV: 5 -0.135085635650E+04 0.96817E-05 -0.27077E-04 3552 0.282E-02 0.336E-02 DAV: 6 -0.135085636010E+04 -0.36008E-05 -0.89237E-05 3200 0.129E-02 38 F= -.13717174E+04 E0= -.13717174E+04 d E =-.501364E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135085811819E+04 -0.17617E-02 -0.25377E-01 3072 0.657E-01 0.191E-01 DAV: 2 -0.135085867142E+04 -0.55323E-03 -0.63188E-03 3296 0.100E-01 0.826E-02 DAV: 3 -0.135085862785E+04 0.43571E-04 -0.16844E-04 3424 0.207E-02 0.427E-02 DAV: 4 -0.135085862179E+04 0.60531E-05 -0.81223E-05 3264 0.136E-02 39 F= -.13717191E+04 E0= -.13717191E+04 d E =-.166072E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135085945927E+04 -0.83142E-03 -0.29946E-01 2880 0.714E-01 0.210E-01 DAV: 2 -0.135086011951E+04 -0.66024E-03 -0.75466E-03 3296 0.109E-01 0.902E-02 DAV: 3 -0.135086006865E+04 0.50865E-04 -0.20155E-04 3392 0.230E-02 0.470E-02 DAV: 4 -0.135086006199E+04 0.66592E-05 -0.98540E-05 3296 0.150E-02 40 F= -.13717198E+04 E0= -.13717198E+04 d E =-.244840E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135086183661E+04 -0.17680E-02 -0.16854E-01 2880 0.534E-01 0.168E-01 DAV: 2 -0.135086218139E+04 -0.34478E-03 -0.39424E-03 3264 0.785E-02 0.630E-02 DAV: 3 -0.135086216210E+04 0.19290E-04 -0.10170E-04 3456 0.157E-02 0.347E-02 DAV: 4 -0.135086216226E+04 -0.16121E-06 -0.50726E-05 3200 0.111E-02 41 F= -.13717214E+04 E0= -.13717214E+04 d E =-.159302E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135086347569E+04 -0.13136E-02 -0.16122E-01 2880 0.522E-01 0.166E-01 DAV: 2 -0.135086380102E+04 -0.32533E-03 -0.37717E-03 3296 0.770E-02 0.625E-02 DAV: 3 -0.135086378086E+04 0.20163E-04 -0.99483E-05 3456 0.154E-02 0.338E-02 DAV: 4 -0.135086377901E+04 0.18502E-05 -0.48786E-05 3264 0.110E-02 42 F= -.13717226E+04 E0= -.13717226E+04 d E =-.271215E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135086451160E+04 -0.73074E-03 -0.64407E-01 2880 0.104E+00 0.328E-01 DAV: 2 -0.135086581354E+04 -0.13019E-02 -0.15020E-02 3296 0.153E-01 0.123E-01 DAV: 3 -0.135086572685E+04 0.86687E-04 -0.39543E-04 3456 0.301E-02 0.675E-02 DAV: 4 -0.135086571003E+04 0.16826E-04 -0.19648E-04 3328 0.215E-02 0.246E-02 DAV: 5 -0.135086570983E+04 0.20022E-06 -0.31252E-05 3200 0.107E-02 43 F= -.13717235E+04 E0= -.13717235E+04 d E =-.364359E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135086691314E+04 -0.12031E-02 -0.12418E-01 2880 0.454E-01 0.128E-01 DAV: 2 -0.135086716181E+04 -0.24867E-03 -0.28313E-03 3232 0.660E-02 0.450E-02 DAV: 3 -0.135086714747E+04 0.14344E-04 -0.62292E-05 3456 0.119E-02 0.256E-02 DAV: 4 -0.135086714531E+04 0.21525E-05 -0.34361E-05 3232 0.977E-03 44 F= -.13717245E+04 E0= -.13717245E+04 d E =-.105295E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135086803057E+04 -0.88310E-03 -0.95932E-01 2816 0.126E+00 0.353E-01 DAV: 2 -0.135086992176E+04 -0.18912E-02 -0.21654E-02 3328 0.183E-01 0.127E-01 DAV: 3 -0.135086979453E+04 0.12724E-03 -0.51042E-04 3456 0.332E-02 0.712E-02 DAV: 4 -0.135086975690E+04 0.37630E-04 -0.28150E-04 3328 0.265E-02 0.235E-02 DAV: 5 -0.135086975716E+04 -0.26669E-06 -0.49929E-05 3328 0.121E-02 45 F= -.13717261E+04 E0= -.13717261E+04 d E =-.259932E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135086998920E+04 -0.23231E-03 -0.91247E-02 2944 0.390E-01 0.113E-01 DAV: 2 -0.135087017305E+04 -0.18384E-03 -0.21051E-03 3264 0.569E-02 0.391E-02 DAV: 3 -0.135087016078E+04 0.12269E-04 -0.44214E-05 3392 0.106E-02 0.218E-02 DAV: 4 -0.135087015885E+04 0.19274E-05 -0.25650E-05 2816 0.902E-03 46 F= -.13717262E+04 E0= -.13717262E+04 d E =-.267105E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135087138732E+04 -0.12265E-02 -0.13310E-01 2816 0.467E-01 0.137E-01 DAV: 2 -0.135087166549E+04 -0.27817E-03 -0.31557E-03 3296 0.695E-02 0.585E-02 DAV: 3 -0.135087164812E+04 0.17368E-04 -0.73153E-05 3456 0.133E-02 0.324E-02 DAV: 4 -0.135087164978E+04 -0.16527E-05 -0.47977E-05 3200 0.990E-03 47 F= -.13717272E+04 E0= -.13717272E+04 d E =-.101875E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135087254824E+04 -0.90011E-03 -0.10838E-01 2880 0.421E-01 0.127E-01 DAV: 2 -0.135087277535E+04 -0.22712E-03 -0.25925E-03 3296 0.629E-02 0.547E-02 DAV: 3 -0.135087276003E+04 0.15328E-04 -0.61357E-05 3456 0.124E-02 0.293E-02 DAV: 4 -0.135087276083E+04 -0.80468E-06 -0.40670E-05 3264 0.907E-03 48 F= -.13717279E+04 E0= -.13717279E+04 d E =-.170320E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135087349017E+04 -0.73014E-03 -0.43265E-01 2816 0.842E-01 0.249E-01 DAV: 2 -0.135087439308E+04 -0.90292E-03 -0.10271E-02 3360 0.125E-01 0.107E-01 DAV: 3 -0.135087432765E+04 0.65430E-04 -0.24393E-04 3520 0.241E-02 0.581E-02 DAV: 4 -0.135087432236E+04 0.52995E-05 -0.16355E-04 3328 0.178E-02 0.207E-02 DAV: 5 -0.135087432200E+04 0.35427E-06 -0.23480E-05 3008 0.841E-03 49 F= -.13717286E+04 E0= -.13717286E+04 d E =-.240852E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135087647052E+04 -0.21482E-02 -0.24163E-01 2816 0.636E-01 0.163E-01 DAV: 2 -0.135087696018E+04 -0.48967E-03 -0.59013E-03 3328 0.956E-02 0.699E-02 DAV: 3 -0.135087692984E+04 0.30340E-04 -0.15644E-04 3552 0.185E-02 0.404E-02 DAV: 4 -0.135087692731E+04 0.25326E-05 -0.98431E-05 3296 0.140E-02 50 F= -.13717303E+04 E0= -.13717303E+04 d E =-.171425E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135087846241E+04 -0.15326E-02 -0.24124E-01 2816 0.635E-01 0.165E-01 DAV: 2 -0.135087894679E+04 -0.48438E-03 -0.59289E-03 3360 0.960E-02 0.726E-02 DAV: 3 -0.135087891345E+04 0.33340E-04 -0.16492E-04 3520 0.193E-02 0.421E-02 DAV: 4 -0.135087891122E+04 0.22278E-05 -0.10956E-04 3328 0.148E-02 0.182E-02 DAV: 5 -0.135087891139E+04 -0.16380E-06 -0.13150E-05 2752 0.751E-03 51 F= -.13717314E+04 E0= -.13717314E+04 d E =-.280588E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135087922357E+04 -0.31234E-03 -0.96238E-01 2816 0.127E+00 0.320E-01 DAV: 2 -0.135088116996E+04 -0.19464E-02 -0.23287E-02 3360 0.190E-01 0.139E-01 DAV: 3 -0.135088104087E+04 0.12908E-03 -0.61688E-04 3520 0.366E-02 0.807E-02 DAV: 4 -0.135088102057E+04 0.20304E-04 -0.39652E-04 3328 0.280E-02 0.342E-02 DAV: 5 -0.135088101926E+04 0.13075E-05 -0.57329E-05 3488 0.139E-02 52 F= -.13717317E+04 E0= -.13717317E+04 d E =-.311853E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135088031193E+04 0.70864E-03 -0.12791E-01 2880 0.463E-01 0.114E-01 DAV: 2 -0.135088056550E+04 -0.25357E-03 -0.30714E-03 3296 0.692E-02 0.516E-02 DAV: 3 -0.135088055006E+04 0.15438E-04 -0.84885E-05 3488 0.133E-02 0.299E-02 DAV: 4 -0.135088054864E+04 0.14242E-05 -0.50181E-05 3168 0.102E-02 53 F= -.13717319E+04 E0= -.13717319E+04 d E =-.330228E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135088226686E+04 -0.17168E-02 -0.32359E-01 2816 0.731E-01 0.193E-01 DAV: 2 -0.135088292370E+04 -0.65685E-03 -0.75558E-03 3360 0.107E-01 0.860E-02 DAV: 3 -0.135088288544E+04 0.38263E-04 -0.18359E-04 3488 0.196E-02 0.496E-02 DAV: 4 -0.135088288065E+04 0.47944E-05 -0.13081E-04 3296 0.166E-02 0.177E-02 DAV: 5 -0.135088288060E+04 0.44747E-07 -0.17033E-05 2880 0.741E-03 54 F= -.13717332E+04 E0= -.13717332E+04 d E =-.129193E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135088374526E+04 -0.86462E-03 -0.12661E+00 2816 0.144E+00 0.388E-01 DAV: 2 -0.135088632550E+04 -0.25802E-02 -0.29800E-02 3360 0.213E-01 0.172E-01 DAV: 3 -0.135088617514E+04 0.15036E-03 -0.74011E-04 3488 0.398E-02 0.987E-02 DAV: 4 -0.135088615754E+04 0.17606E-04 -0.55454E-04 3296 0.338E-02 0.365E-02 DAV: 5 -0.135088615478E+04 0.27596E-05 -0.83143E-05 3488 0.153E-02 55 F= -.13717344E+04 E0= -.13717344E+04 d E =-.249971E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135088768758E+04 -0.15300E-02 -0.17118E-01 2880 0.533E-01 0.146E-01 DAV: 2 -0.135088804026E+04 -0.35267E-03 -0.40820E-03 3264 0.800E-02 0.574E-02 DAV: 3 -0.135088801547E+04 0.24784E-04 -0.94737E-05 3424 0.151E-02 0.307E-02 DAV: 4 -0.135088801004E+04 0.54343E-05 -0.48689E-05 3200 0.111E-02 56 F= -.13717356E+04 E0= -.13717356E+04 d E =-.128276E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135088902593E+04 -0.10105E-02 -0.36936E-01 2816 0.783E-01 0.214E-01 DAV: 2 -0.135088977225E+04 -0.74631E-03 -0.87231E-03 3264 0.117E-01 0.850E-02 DAV: 3 -0.135088971123E+04 0.61015E-04 -0.21208E-04 3392 0.225E-02 0.454E-02 DAV: 4 -0.135088969394E+04 0.17287E-04 -0.11183E-04 3296 0.170E-02 0.160E-02 DAV: 5 -0.135088969371E+04 0.23063E-06 -0.18190E-05 2880 0.808E-03 57 F= -.13717365E+04 E0= -.13717365E+04 d E =-.212224E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135089121124E+04 -0.15173E-02 -0.14169E-01 2880 0.491E-01 0.157E-01 DAV: 2 -0.135089151091E+04 -0.29967E-03 -0.33731E-03 3264 0.721E-02 0.542E-02 DAV: 3 -0.135089149304E+04 0.17863E-04 -0.76979E-05 3488 0.132E-02 0.304E-02 DAV: 4 -0.135089149252E+04 0.52115E-06 -0.47319E-05 3232 0.101E-02 58 F= -.13717377E+04 E0= -.13717377E+04 d E =-.121404E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135089281194E+04 -0.13189E-02 -0.71988E-01 2816 0.111E+00 0.354E-01 DAV: 2 -0.135089432242E+04 -0.15105E-02 -0.17103E-02 3232 0.163E-01 0.124E-01 DAV: 3 -0.135089422658E+04 0.95840E-04 -0.42086E-04 3488 0.301E-02 0.692E-02 DAV: 4 -0.135089420997E+04 0.16614E-04 -0.25726E-04 3328 0.232E-02 0.245E-02 DAV: 5 -0.135089421072E+04 -0.74934E-06 -0.39038E-05 3328 0.109E-02 59 F= -.13717391E+04 E0= -.13717391E+04 d E =-.260979E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135089454171E+04 -0.33175E-03 -0.64189E-02 2976 0.331E-01 0.109E-01 DAV: 2 -0.135089468054E+04 -0.13883E-03 -0.15467E-03 3136 0.488E-02 0.368E-02 DAV: 3 -0.135089467358E+04 0.69584E-05 -0.32912E-05 3264 0.900E-03 60 F= -.13717392E+04 E0= -.13717392E+04 d E =-.267509E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135089589091E+04 -0.12104E-02 -0.25182E-01 2816 0.662E-01 0.165E-01 DAV: 2 -0.135089640666E+04 -0.51575E-03 -0.57527E-03 3136 0.955E-02 0.685E-02 DAV: 3 -0.135089637532E+04 0.31332E-04 -0.13976E-04 3424 0.183E-02 0.380E-02 DAV: 4 -0.135089637112E+04 0.42022E-05 -0.78403E-05 3296 0.137E-02 61 F= -.13717401E+04 E0= -.13717401E+04 d E =-.946680E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.135089685641E+04 -0.48109E-03 -0.51213E-02 3136 0.298E-01 0.776E-02 DAV: 2 -0.135089696295E+04 -0.10654E-03 -0.12154E-03 3200 0.438E-02 0.325E-02 DAV: 3 -0.135089695593E+04 0.70206E-05 -0.27351E-05 3072 0.893E-03 62 F= -.13717404E+04 E0= -.13717404E+04 d E =-.119390E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135089740523E+04 -0.44228E-03 -0.20210E-01 2816 0.593E-01 0.149E-01 DAV: 2 -0.135089781252E+04 -0.40729E-03 -0.45967E-03 3200 0.854E-02 0.624E-02 DAV: 3 -0.135089778582E+04 0.26707E-04 -0.11315E-04 3424 0.164E-02 0.343E-02 DAV: 4 -0.135089778070E+04 0.51200E-05 -0.60914E-05 3296 0.124E-02 63 F= -.13717405E+04 E0= -.13717405E+04 d E =-.134163E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135089886481E+04 -0.10790E-02 -0.11911E-01 2880 0.450E-01 0.984E-02 DAV: 2 -0.135089911588E+04 -0.25106E-03 -0.28358E-03 3136 0.659E-02 0.449E-02 DAV: 3 -0.135089910414E+04 0.11731E-04 -0.61248E-05 3488 0.118E-02 0.273E-02 DAV: 4 -0.135089910534E+04 -0.11946E-05 -0.52317E-05 3104 0.106E-02 64 F= -.13717413E+04 E0= -.13717413E+04 d E =-.787399E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.135090033342E+04 -0.12293E-02 -0.10697E+00 2816 0.135E+00 0.293E-01 DAV: 2 -0.135090259233E+04 -0.22589E-02 -0.25233E-02 3296 0.197E-01 0.134E-01 DAV: 3 -0.135090247165E+04 0.12068E-03 -0.55225E-04 3520 0.345E-02 0.812E-02 DAV: 4 -0.135090245081E+04 0.20844E-04 -0.46918E-04 3264 0.310E-02 0.331E-02 DAV: 5 -0.135090244994E+04 0.86654E-06 -0.78747E-05 3520 0.142E-02 65 F= -.13717430E+04 E0= -.13717430E+04 d E =-.251450E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135089792439E+04 0.45264E-02 -0.42709E+00 2816 0.270E+00 0.583E-01 DAV: 2 -0.135090699511E+04 -0.90707E-02 -0.10049E-01 3328 0.392E-01 0.263E-01 DAV: 3 -0.135090651667E+04 0.47844E-03 -0.21557E-03 3520 0.679E-02 0.161E-01 DAV: 4 -0.135090641356E+04 0.10311E-03 -0.18411E-03 3264 0.612E-02 0.652E-02 DAV: 5 -0.135090640410E+04 0.94597E-05 -0.31645E-04 3616 0.280E-02 0.304E-02 DAV: 6 -0.135090641518E+04 -0.11084E-04 -0.77953E-05 3264 0.114E-02 0.144E-02 DAV: 7 -0.135090642109E+04 -0.59139E-05 -0.22962E-06 2240 0.406E-03 66 F= -.13717437E+04 E0= -.13717437E+04 d E =-.322466E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135090472150E+04 0.16937E-02 -0.42411E-01 2880 0.850E-01 0.182E-01 DAV: 2 -0.135090562573E+04 -0.90423E-03 -0.99397E-03 3360 0.123E-01 0.831E-02 DAV: 3 -0.135090558426E+04 0.41469E-04 -0.20385E-04 3520 0.212E-02 0.501E-02 DAV: 4 -0.135090558560E+04 -0.13388E-05 -0.17234E-04 3296 0.187E-02 0.198E-02 DAV: 5 -0.135090558759E+04 -0.19866E-05 -0.26478E-05 3136 0.866E-03 67 F= -.13717439E+04 E0= -.13717439E+04 d E =-.342341E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135090750851E+04 -0.19229E-02 -0.37504E-01 2880 0.795E-01 0.178E-01 DAV: 2 -0.135090829198E+04 -0.78347E-03 -0.89561E-03 3296 0.117E-01 0.841E-02 DAV: 3 -0.135090824927E+04 0.42707E-04 -0.21304E-04 3488 0.215E-02 0.486E-02 DAV: 4 -0.135090824129E+04 0.79871E-05 -0.14157E-04 3328 0.169E-02 0.197E-02 DAV: 5 -0.135090824103E+04 0.25316E-06 -0.19835E-05 2880 0.792E-03 68 F= -.13717454E+04 E0= -.13717454E+04 d E =-.148443E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135090807594E+04 0.16534E-03 -0.23102E+00 2816 0.197E+00 0.447E-01 DAV: 2 -0.135091296333E+04 -0.48874E-02 -0.55438E-02 3296 0.291E-01 0.208E-01 DAV: 3 -0.135091270466E+04 0.25868E-03 -0.13232E-03 3456 0.537E-02 0.120E-01 DAV: 4 -0.135091264846E+04 0.56200E-04 -0.91176E-04 3296 0.424E-02 0.497E-02 DAV: 5 -0.135091264224E+04 0.62208E-05 -0.14937E-04 3680 0.201E-02 0.227E-02 DAV: 6 -0.135091264715E+04 -0.49178E-05 -0.35192E-05 3232 0.816E-03 69 F= -.13717469E+04 E0= -.13717469E+04 d E =-.297376E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135091423774E+04 -0.15955E-02 -0.30086E-01 2880 0.714E-01 0.168E-01 DAV: 2 -0.135091487128E+04 -0.63354E-03 -0.69931E-03 3232 0.104E-01 0.712E-02 DAV: 3 -0.135091484295E+04 0.28337E-04 -0.15099E-04 3456 0.186E-02 0.423E-02 DAV: 4 -0.135091484190E+04 0.10457E-05 -0.11643E-04 3264 0.165E-02 0.162E-02 DAV: 5 -0.135091484311E+04 -0.12083E-05 -0.16956E-05 2880 0.753E-03 70 F= -.13717481E+04 E0= -.13717481E+04 d E =-.115798E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135091423955E+04 0.60235E-03 -0.26995E+00 2816 0.214E+00 0.501E-01 DAV: 2 -0.135091988639E+04 -0.56468E-02 -0.62541E-02 3232 0.310E-01 0.216E-01 DAV: 3 -0.135091960189E+04 0.28451E-03 -0.14041E-03 3520 0.564E-02 0.128E-01 DAV: 4 -0.135091954460E+04 0.57285E-04 -0.11192E-03 3264 0.507E-02 0.495E-02 DAV: 5 -0.135091953643E+04 0.81717E-05 -0.19041E-04 3520 0.229E-02 0.277E-02 DAV: 6 -0.135091954079E+04 -0.43635E-05 -0.62864E-05 3232 0.108E-02 71 F= -.13717496E+04 E0= -.13717496E+04 d E =-.273029E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135092115040E+04 -0.16140E-02 -0.26568E-01 2880 0.670E-01 0.138E-01 DAV: 2 -0.135092170700E+04 -0.55660E-03 -0.60868E-03 3232 0.973E-02 0.637E-02 DAV: 3 -0.135092168601E+04 0.20993E-04 -0.12595E-04 3456 0.172E-02 0.383E-02 DAV: 4 -0.135092168673E+04 -0.71888E-06 -0.88210E-05 3296 0.144E-02 72 F= -.13717508E+04 E0= -.13717508E+04 d E =-.121259E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135092203974E+04 -0.35373E-03 -0.23866E+00 2816 0.201E+00 0.412E-01 DAV: 2 -0.135092697499E+04 -0.49353E-02 -0.54578E-02 3200 0.292E-01 0.197E-01 DAV: 3 -0.135092674247E+04 0.23252E-03 -0.12008E-03 3456 0.527E-02 0.117E-01 DAV: 4 -0.135092669068E+04 0.51789E-04 -0.87810E-04 3296 0.442E-02 0.478E-02 DAV: 5 -0.135092668577E+04 0.49115E-05 -0.14684E-04 3584 0.213E-02 0.226E-02 DAV: 6 -0.135092669052E+04 -0.47498E-05 -0.43655E-05 3200 0.949E-03 73 F= -.13717530E+04 E0= -.13717530E+04 d E =-.340807E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135091175721E+04 0.14929E-01 -0.95451E+00 2816 0.402E+00 0.817E-01 DAV: 2 -0.135093155613E+04 -0.19799E-01 -0.21763E-01 3232 0.583E-01 0.389E-01 DAV: 3 -0.135093063537E+04 0.92076E-03 -0.47361E-03 3488 0.104E-01 0.231E-01 DAV: 4 -0.135093038804E+04 0.24733E-03 -0.33347E-03 3296 0.862E-02 0.932E-02 DAV: 5 -0.135093036676E+04 0.21277E-04 -0.56082E-04 3584 0.414E-02 0.443E-02 DAV: 6 -0.135093038075E+04 -0.13986E-04 -0.17291E-04 3200 0.185E-02 0.213E-02 DAV: 7 -0.135093038606E+04 -0.53108E-05 -0.11923E-05 2464 0.767E-03 74 F= -.13717511E+04 E0= -.13717511E+04 d E =-.144931E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135091773753E+04 0.12643E-01 -0.54292E+00 2816 0.303E+00 0.614E-01 DAV: 2 -0.135092899780E+04 -0.11260E-01 -0.12346E-01 3232 0.438E-01 0.295E-01 DAV: 3 -0.135092849426E+04 0.50354E-03 -0.26976E-03 3456 0.784E-02 0.175E-01 DAV: 4 -0.135092839372E+04 0.10054E-03 -0.19491E-03 3168 0.654E-02 0.708E-02 DAV: 5 -0.135092838788E+04 0.58355E-05 -0.31954E-04 3552 0.311E-02 0.333E-02 DAV: 6 -0.135092839925E+04 -0.11365E-04 -0.10186E-04 3200 0.139E-02 0.157E-02 DAV: 7 -0.135092840002E+04 -0.76875E-06 -0.53319E-06 2208 0.540E-03 75 F= -.13717534E+04 E0= -.13717534E+04 d E =-.373567E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135092978465E+04 -0.13854E-02 -0.74313E-01 2944 0.112E+00 0.224E-01 DAV: 2 -0.135093130672E+04 -0.15221E-02 -0.16538E-02 3328 0.159E-01 0.111E-01 DAV: 3 -0.135093124172E+04 0.65002E-04 -0.31247E-04 3456 0.270E-02 0.675E-02 DAV: 4 -0.135093123645E+04 0.52704E-05 -0.25735E-04 3232 0.247E-02 0.239E-02 DAV: 5 -0.135093123739E+04 -0.93531E-06 -0.43638E-05 3296 0.113E-02 76 F= -.13717550E+04 E0= -.13717550E+04 d E =-.167913E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135092572929E+04 0.55072E-02 -0.53520E+00 2816 0.301E+00 0.605E-01 DAV: 2 -0.135093677193E+04 -0.11043E-01 -0.11972E-01 3168 0.428E-01 0.296E-01 DAV: 3 -0.135093629443E+04 0.47750E-03 -0.23289E-03 3456 0.730E-02 0.182E-01 DAV: 4 -0.135093619200E+04 0.10244E-03 -0.19295E-03 3264 0.679E-02 0.658E-02 DAV: 5 -0.135093618508E+04 0.69156E-05 -0.34945E-04 3328 0.309E-02 0.370E-02 DAV: 6 -0.135093619161E+04 -0.65332E-05 -0.12687E-04 3232 0.156E-02 0.172E-02 DAV: 7 -0.135093619275E+04 -0.11355E-05 -0.72486E-06 2240 0.629E-03 77 F= -.13717569E+04 E0= -.13717569E+04 d E =-.351598E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135093760226E+04 -0.14106E-02 -0.65704E-01 2816 0.105E+00 0.195E-01 DAV: 2 -0.135093895526E+04 -0.13530E-02 -0.14628E-02 3200 0.149E-01 0.960E-02 DAV: 3 -0.135093890051E+04 0.54751E-04 -0.27422E-04 3488 0.246E-02 0.589E-02 DAV: 4 -0.135093889102E+04 0.94848E-05 -0.22239E-04 3328 0.231E-02 0.228E-02 DAV: 5 -0.135093889307E+04 -0.20516E-05 -0.38849E-05 3328 0.104E-02 78 F= -.13717584E+04 E0= -.13717584E+04 d E =-.154424E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135093370827E+04 0.51827E-02 -0.58976E+00 2816 0.314E+00 0.587E-01 DAV: 2 -0.135094586868E+04 -0.12160E-01 -0.13088E-01 3232 0.444E-01 0.288E-01 DAV: 3 -0.135094537261E+04 0.49606E-03 -0.24532E-03 3456 0.739E-02 0.176E-01 DAV: 4 -0.135094525099E+04 0.12163E-03 -0.20183E-03 3328 0.684E-02 0.684E-02 DAV: 5 -0.135094524569E+04 0.52995E-05 -0.36369E-04 3520 0.309E-02 0.352E-02 DAV: 6 -0.135094525642E+04 -0.10734E-04 -0.10838E-04 3232 0.141E-02 0.156E-02 DAV: 7 -0.135094526042E+04 -0.39954E-05 -0.54958E-06 2208 0.541E-03 79 F= -.13717613E+04 E0= -.13717613E+04 d E =-.442976E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135090380306E+04 0.41453E-01 -0.23624E+01 2816 0.628E+00 0.117E+00 DAV: 2 -0.135095262925E+04 -0.48826E-01 -0.52503E-01 3264 0.888E-01 0.579E-01 DAV: 3 -0.135095061959E+04 0.20097E-02 -0.99213E-03 3488 0.148E-01 0.355E-01 DAV: 4 -0.135095004589E+04 0.57370E-03 -0.79940E-03 3328 0.136E-01 0.137E-01 DAV: 5 -0.135095002160E+04 0.24287E-04 -0.14449E-03 3552 0.609E-02 0.701E-02 DAV: 6 -0.135095005609E+04 -0.34487E-04 -0.41497E-04 3264 0.274E-02 0.315E-02 DAV: 7 -0.135095006548E+04 -0.93907E-05 -0.31580E-05 3136 0.106E-02 80 F= -.13717591E+04 E0= -.13717591E+04 d E =-.220019E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135092348354E+04 0.26573E-01 -0.12314E+01 2816 0.453E+00 0.843E-01 DAV: 2 -0.135094893620E+04 -0.25453E-01 -0.27341E-01 3264 0.639E-01 0.417E-01 DAV: 3 -0.135094792249E+04 0.10137E-02 -0.51871E-03 3456 0.107E-01 0.253E-01 DAV: 4 -0.135094770115E+04 0.22134E-03 -0.42291E-03 3328 0.979E-02 0.985E-02 DAV: 5 -0.135094768982E+04 0.11325E-04 -0.73948E-04 3488 0.436E-02 0.502E-02 DAV: 6 -0.135094770740E+04 -0.17573E-04 -0.23250E-04 3264 0.201E-02 0.223E-02 DAV: 7 -0.135094770822E+04 -0.82157E-06 -0.14702E-05 2752 0.729E-03 81 F= -.13717618E+04 E0= -.13717618E+04 d E =-.493529E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135094861937E+04 -0.91197E-03 -0.23493E+00 2880 0.197E+00 0.380E-01 DAV: 2 -0.135095344077E+04 -0.48214E-02 -0.52305E-02 3328 0.280E-01 0.198E-01 DAV: 3 -0.135095322362E+04 0.21715E-03 -0.96756E-04 3520 0.463E-02 0.122E-01 DAV: 4 -0.135095318681E+04 0.36811E-04 -0.90207E-04 3232 0.445E-02 0.442E-02 DAV: 5 -0.135095318172E+04 0.50923E-05 -0.16433E-04 3520 0.206E-02 0.221E-02 DAV: 6 -0.135095318397E+04 -0.22484E-05 -0.40665E-05 3200 0.852E-03 82 F= -.13717647E+04 E0= -.13717647E+04 d E =-.291534E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135095328546E+04 -0.10374E-03 -0.18243E+00 2816 0.174E+00 0.339E-01 DAV: 2 -0.135095705508E+04 -0.37696E-02 -0.40938E-02 3264 0.247E-01 0.173E-01 DAV: 3 -0.135095688658E+04 0.16850E-03 -0.76180E-04 3488 0.410E-02 0.107E-01 DAV: 4 -0.135095685263E+04 0.33954E-04 -0.70636E-04 3264 0.399E-02 0.393E-02 DAV: 5 -0.135095684825E+04 0.43725E-05 -0.13272E-04 3552 0.185E-02 0.201E-02 DAV: 6 -0.135095685077E+04 -0.25113E-05 -0.32006E-05 3136 0.782E-03 83 F= -.13717661E+04 E0= -.13717661E+04 d E =-.432013E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135094688585E+04 0.99624E-02 -0.72933E+00 2816 0.348E+00 0.676E-01 DAV: 2 -0.135096193664E+04 -0.15051E-01 -0.16318E-01 3296 0.494E-01 0.347E-01 DAV: 3 -0.135096124661E+04 0.69003E-03 -0.30590E-03 3488 0.822E-02 0.214E-01 DAV: 4 -0.135096108588E+04 0.16073E-03 -0.28651E-03 3264 0.797E-02 0.789E-02 DAV: 5 -0.135096106660E+04 0.19283E-04 -0.53782E-04 3584 0.368E-02 0.401E-02 DAV: 6 -0.135096107577E+04 -0.91670E-05 -0.13257E-04 3200 0.154E-02 0.198E-02 DAV: 7 -0.135096107900E+04 -0.32319E-05 -0.63516E-06 2240 0.577E-03 84 F= -.13717658E+04 E0= -.13717658E+04 d E =-.399691E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135095371010E+04 0.73657E-02 -0.27158E+00 2816 0.212E+00 0.407E-01 DAV: 2 -0.135095928537E+04 -0.55753E-02 -0.60501E-02 3296 0.300E-01 0.213E-01 DAV: 3 -0.135095904077E+04 0.24460E-03 -0.11136E-03 3456 0.497E-02 0.133E-01 DAV: 4 -0.135095900858E+04 0.32193E-04 -0.10710E-03 3296 0.485E-02 0.483E-02 DAV: 5 -0.135095900674E+04 0.18376E-05 -0.19753E-04 3584 0.224E-02 0.242E-02 DAV: 6 -0.135095901245E+04 -0.57041E-05 -0.46554E-05 3200 0.904E-03 85 F= -.13717665E+04 E0= -.13717665E+04 d E =-.471528E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135095879925E+04 0.20749E-03 -0.35747E+00 2816 0.242E+00 0.457E-01 DAV: 2 -0.135096605756E+04 -0.72583E-02 -0.79604E-02 3264 0.344E-01 0.237E-01 DAV: 3 -0.135096574570E+04 0.31186E-03 -0.15904E-03 3456 0.591E-02 0.145E-01 DAV: 4 -0.135096567661E+04 0.69084E-04 -0.13230E-03 3264 0.543E-02 0.574E-02 DAV: 5 -0.135096567096E+04 0.56561E-05 -0.23657E-04 3616 0.250E-02 0.265E-02 DAV: 6 -0.135096567649E+04 -0.55299E-05 -0.60547E-05 3168 0.106E-02 86 F= -.13717700E+04 E0= -.13717700E+04 d E =-.349996E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135096130567E+04 0.43653E-02 -0.52460E+00 2816 0.294E+00 0.560E-01 DAV: 2 -0.135097204015E+04 -0.10734E-01 -0.11740E-01 3200 0.419E-01 0.284E-01 DAV: 3 -0.135097160275E+04 0.43741E-03 -0.23593E-03 3488 0.719E-02 0.175E-01 DAV: 4 -0.135097150225E+04 0.10050E-03 -0.19327E-03 3264 0.661E-02 0.700E-02 DAV: 5 -0.135097149433E+04 0.79204E-05 -0.35342E-04 3616 0.305E-02 0.327E-02 DAV: 6 -0.135097150507E+04 -0.10745E-04 -0.93825E-05 3136 0.134E-02 0.151E-02 DAV: 7 -0.135097150887E+04 -0.37947E-05 -0.45232E-06 2240 0.523E-03 87 F= -.13717720E+04 E0= -.13717720E+04 d E =-.547793E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135096826458E+04 0.32405E-02 -0.55102E+00 2816 0.299E+00 0.650E-01 DAV: 2 -0.135097949243E+04 -0.11228E-01 -0.12274E-01 3200 0.424E-01 0.302E-01 DAV: 3 -0.135097896374E+04 0.52869E-03 -0.25089E-03 3520 0.740E-02 0.181E-01 DAV: 4 -0.135097884190E+04 0.12184E-03 -0.21000E-03 3296 0.688E-02 0.697E-02 DAV: 5 -0.135097883362E+04 0.82829E-05 -0.35962E-04 3520 0.306E-02 0.370E-02 DAV: 6 -0.135097884382E+04 -0.10207E-04 -0.12209E-04 3264 0.144E-02 0.175E-02 DAV: 7 -0.135097884990E+04 -0.60767E-05 -0.56789E-06 2272 0.531E-03 88 F= -.13717763E+04 E0= -.13717763E+04 d E =-.433788E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135097883656E+04 0.72581E-05 -0.97763E-01 2816 0.126E+00 0.275E-01 DAV: 2 -0.135098082802E+04 -0.19915E-02 -0.21832E-02 3232 0.178E-01 0.126E-01 DAV: 3 -0.135098073335E+04 0.94660E-04 -0.44012E-04 3456 0.311E-02 0.755E-02 DAV: 4 -0.135098071840E+04 0.14953E-04 -0.36336E-04 3232 0.288E-02 0.288E-02 DAV: 5 -0.135098072144E+04 -0.30385E-05 -0.60370E-05 3424 0.129E-02 89 F= -.13717769E+04 E0= -.13717769E+04 d E =-.493804E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135097555721E+04 0.51612E-02 -0.65725E+00 2816 0.322E+00 0.650E-01 DAV: 2 -0.135098866403E+04 -0.13107E-01 -0.14294E-01 3232 0.453E-01 0.327E-01 DAV: 3 -0.135098806400E+04 0.60002E-03 -0.27015E-03 3488 0.763E-02 0.199E-01 DAV: 4 -0.135098791228E+04 0.15173E-03 -0.23284E-03 3264 0.735E-02 0.690E-02 DAV: 5 -0.135098790982E+04 0.24550E-05 -0.42011E-04 3392 0.329E-02 0.393E-02 DAV: 6 -0.135098792049E+04 -0.10666E-04 -0.14774E-04 3264 0.161E-02 0.193E-02 DAV: 7 -0.135098792704E+04 -0.65503E-05 -0.78772E-06 2208 0.624E-03 90 F= -.13717809E+04 E0= -.13717809E+04 d E =-.393415E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135098763357E+04 0.28692E-03 -0.11074E+00 2816 0.132E+00 0.267E-01 DAV: 2 -0.135098983042E+04 -0.21969E-02 -0.24089E-02 3264 0.186E-01 0.133E-01 DAV: 3 -0.135098972881E+04 0.10161E-03 -0.46191E-04 3488 0.314E-02 0.811E-02 DAV: 4 -0.135098970821E+04 0.20601E-04 -0.38090E-04 3200 0.300E-02 0.280E-02 DAV: 5 -0.135098971324E+04 -0.50325E-05 -0.67815E-05 3328 0.134E-02 91 F= -.13717813E+04 E0= -.13717813E+04 d E =-.437062E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135098656836E+04 0.31399E-02 -0.58140E+00 2816 0.301E+00 0.602E-01 DAV: 2 -0.135099816865E+04 -0.11600E-01 -0.12514E-01 3232 0.420E-01 0.279E-01 DAV: 3 -0.135099764472E+04 0.52393E-03 -0.22327E-03 3456 0.706E-02 0.167E-01 DAV: 4 -0.135099751846E+04 0.12626E-03 -0.18209E-03 3296 0.640E-02 0.616E-02 DAV: 5 -0.135099751759E+04 0.87601E-06 -0.33815E-04 3520 0.296E-02 0.323E-02 DAV: 6 -0.135099752983E+04 -0.12246E-04 -0.91117E-05 3232 0.128E-02 0.163E-02 DAV: 7 -0.135099753679E+04 -0.69563E-05 -0.37343E-06 2208 0.497E-03 92 F= -.13717850E+04 E0= -.13717850E+04 d E =-.370283E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135099614989E+04 0.13799E-02 -0.26705E+00 2816 0.204E+00 0.407E-01 DAV: 2 -0.135100145482E+04 -0.53049E-02 -0.57404E-02 3232 0.285E-01 0.190E-01 DAV: 3 -0.135100120742E+04 0.24740E-03 -0.10365E-03 3456 0.477E-02 0.114E-01 DAV: 4 -0.135100114708E+04 0.60338E-04 -0.82458E-04 3264 0.433E-02 0.413E-02 DAV: 5 -0.135100115115E+04 -0.40634E-05 -0.15227E-04 3488 0.199E-02 0.220E-02 DAV: 6 -0.135100116065E+04 -0.95003E-05 -0.41442E-05 3168 0.889E-03 93 F= -.13717858E+04 E0= -.13717858E+04 d E =-.451954E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135099677581E+04 0.43753E-02 -0.71483E+00 2816 0.332E+00 0.639E-01 DAV: 2 -0.135101096634E+04 -0.14191E-01 -0.15310E-01 3200 0.465E-01 0.332E-01 DAV: 3 -0.135101030190E+04 0.66444E-03 -0.27149E-03 3488 0.780E-02 0.204E-01 DAV: 4 -0.135101012673E+04 0.17517E-03 -0.25368E-03 3264 0.757E-02 0.723E-02 DAV: 5 -0.135101012056E+04 0.61661E-05 -0.47762E-04 3424 0.345E-02 0.385E-02 DAV: 6 -0.135101013687E+04 -0.16307E-04 -0.14047E-04 3232 0.153E-02 0.194E-02 DAV: 7 -0.135101014590E+04 -0.90312E-05 -0.65177E-06 2208 0.565E-03 94 F= -.13717901E+04 E0= -.13717901E+04 d E =-.427555E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135100984342E+04 0.29345E-03 -0.19690E+00 2816 0.175E+00 0.334E-01 DAV: 2 -0.135101375290E+04 -0.39095E-02 -0.42322E-02 3232 0.245E-01 0.175E-01 DAV: 3 -0.135101356487E+04 0.18803E-03 -0.74811E-04 3488 0.410E-02 0.108E-01 DAV: 4 -0.135101352294E+04 0.41927E-04 -0.69835E-04 3232 0.399E-02 0.379E-02 DAV: 5 -0.135101352696E+04 -0.40115E-05 -0.13148E-04 3456 0.183E-02 0.201E-02 DAV: 6 -0.135101353763E+04 -0.10672E-04 -0.35300E-05 3136 0.786E-03 0.104E-02 DAV: 7 -0.135101354504E+04 -0.74114E-05 -0.55316E-08 2208 0.296E-03 95 F= -.13717910E+04 E0= -.13717910E+04 d E =-.519472E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135101389204E+04 -0.35441E-03 -0.31765E+00 2816 0.223E+00 0.522E-01 DAV: 2 -0.135102027561E+04 -0.63836E-02 -0.70511E-02 3328 0.316E-01 0.222E-01 DAV: 3 -0.135101988172E+04 0.39388E-03 -0.13499E-03 3552 0.546E-02 0.131E-01 DAV: 4 -0.135101979008E+04 0.91641E-04 -0.11517E-03 3296 0.499E-02 0.479E-02 DAV: 5 -0.135101979071E+04 -0.63101E-06 -0.20939E-04 3456 0.227E-02 0.258E-02 DAV: 6 -0.135101979865E+04 -0.79402E-05 -0.51359E-05 3232 0.964E-03 96 F= -.13717946E+04 E0= -.13717946E+04 d E =-.355355E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135102039703E+04 -0.60632E-03 -0.50459E-01 2816 0.889E-01 0.212E-01 DAV: 2 -0.135102141781E+04 -0.10208E-02 -0.11257E-02 3296 0.126E-01 0.875E-02 DAV: 3 -0.135102135915E+04 0.58653E-04 -0.21004E-04 3552 0.218E-02 0.516E-02 DAV: 4 -0.135102135229E+04 0.68664E-05 -0.17550E-04 3264 0.199E-02 0.189E-02 DAV: 5 -0.135102135599E+04 -0.37016E-05 -0.30574E-05 3008 0.919E-03 97 F= -.13717951E+04 E0= -.13717951E+04 d E =-.403314E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135102153234E+04 -0.18005E-03 -0.30528E+00 2816 0.219E+00 0.507E-01 DAV: 2 -0.135102765483E+04 -0.61225E-02 -0.68887E-02 3296 0.314E-01 0.247E-01 DAV: 3 -0.135102728244E+04 0.37239E-03 -0.13653E-03 3552 0.553E-02 0.149E-01 DAV: 4 -0.135102719120E+04 0.91232E-04 -0.11973E-03 3264 0.500E-02 0.540E-02 DAV: 5 -0.135102718360E+04 0.76090E-05 -0.22811E-04 3584 0.241E-02 0.262E-02 DAV: 6 -0.135102718978E+04 -0.61805E-05 -0.46493E-05 3168 0.904E-03 98 F= -.13717982E+04 E0= -.13717982E+04 d E =-.313987E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135102774506E+04 -0.56146E-03 -0.37964E-01 2816 0.774E-01 0.182E-01 DAV: 2 -0.135102850904E+04 -0.76398E-03 -0.86111E-03 3296 0.111E-01 0.863E-02 DAV: 3 -0.135102846479E+04 0.44246E-04 -0.16734E-04 3552 0.195E-02 0.516E-02 DAV: 4 -0.135102845887E+04 0.59164E-05 -0.13961E-04 3232 0.175E-02 0.186E-02 DAV: 5 -0.135102846238E+04 -0.35111E-05 -0.24865E-05 3008 0.851E-03 99 F= -.13717985E+04 E0= -.13717985E+04 d E =-.346247E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135103005071E+04 -0.15918E-02 -0.17746E+00 2816 0.168E+00 0.354E-01 DAV: 2 -0.135103368739E+04 -0.36367E-02 -0.39613E-02 3232 0.240E-01 0.161E-01 DAV: 3 -0.135103348939E+04 0.19800E-03 -0.71868E-04 3456 0.415E-02 0.946E-02 DAV: 4 -0.135103344089E+04 0.48502E-04 -0.58011E-04 3264 0.367E-02 0.352E-02 DAV: 5 -0.135103344197E+04 -0.10821E-05 -0.11038E-04 3456 0.172E-02 0.179E-02 DAV: 6 -0.135103344803E+04 -0.60549E-05 -0.24401E-05 3072 0.690E-03 100 F= -.13718008E+04 E0= -.13718008E+04 d E =-.228258E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135103435643E+04 -0.91446E-03 -0.48459E-01 2816 0.879E-01 0.187E-01 DAV: 2 -0.135103534922E+04 -0.99279E-03 -0.10821E-02 3296 0.126E-01 0.837E-02 DAV: 3 -0.135103529604E+04 0.53179E-04 -0.19285E-04 3456 0.216E-02 0.492E-02 DAV: 4 -0.135103528638E+04 0.96611E-05 -0.14985E-04 3232 0.190E-02 0.180E-02 DAV: 5 -0.135103528953E+04 -0.31501E-05 -0.27616E-05 3168 0.903E-03 101 F= -.13718012E+04 E0= -.13718012E+04 d E =-.271137E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135103774314E+04 -0.24568E-02 -0.13862E+00 2816 0.150E+00 0.315E-01 DAV: 2 -0.135104057183E+04 -0.28287E-02 -0.30706E-02 3264 0.213E-01 0.148E-01 DAV: 3 -0.135104042129E+04 0.15054E-03 -0.56820E-04 3456 0.364E-02 0.888E-02 DAV: 4 -0.135104038118E+04 0.40105E-04 -0.46461E-04 3296 0.333E-02 0.303E-02 DAV: 5 -0.135104038163E+04 -0.44930E-06 -0.86941E-05 3360 0.154E-02 102 F= -.13718036E+04 E0= -.13718036E+04 d E =-.232010E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135104056478E+04 -0.18359E-03 -0.22900E+00 2816 0.192E+00 0.409E-01 DAV: 2 -0.135104525226E+04 -0.46875E-02 -0.50901E-02 3232 0.274E-01 0.190E-01 DAV: 3 -0.135104500301E+04 0.24925E-03 -0.95361E-04 3456 0.472E-02 0.114E-01 DAV: 4 -0.135104493101E+04 0.72000E-04 -0.78273E-04 3296 0.433E-02 0.394E-02 DAV: 5 -0.135104493017E+04 0.84005E-06 -0.14764E-04 3360 0.199E-02 0.230E-02 DAV: 6 -0.135104493552E+04 -0.53554E-05 -0.44752E-05 3168 0.910E-03 103 F= -.13718045E+04 E0= -.13718045E+04 d E =-.330714E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135104638586E+04 -0.14557E-02 -0.13830E+00 2816 0.149E+00 0.303E-01 DAV: 2 -0.135104922682E+04 -0.28410E-02 -0.30894E-02 3232 0.214E-01 0.138E-01 DAV: 3 -0.135104909400E+04 0.13283E-03 -0.56568E-04 3456 0.355E-02 0.825E-02 DAV: 4 -0.135104905543E+04 0.38570E-04 -0.40408E-04 3264 0.313E-02 0.292E-02 DAV: 5 -0.135104906043E+04 -0.50052E-05 -0.76073E-05 3360 0.141E-02 104 F= -.13718062E+04 E0= -.13718062E+04 d E =-.169460E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135104905371E+04 0.17205E-05 -0.16513E+00 2816 0.163E+00 0.333E-01 DAV: 2 -0.135105244546E+04 -0.33918E-02 -0.36974E-02 3264 0.234E-01 0.152E-01 DAV: 3 -0.135105228163E+04 0.16383E-03 -0.67608E-04 3456 0.393E-02 0.904E-02 DAV: 4 -0.135105223297E+04 0.48664E-04 -0.50043E-04 3264 0.348E-02 0.326E-02 DAV: 5 -0.135105223671E+04 -0.37396E-05 -0.94731E-05 3424 0.158E-02 105 F= -.13718068E+04 E0= -.13718068E+04 d E =-.221051E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135105359362E+04 -0.13606E-02 -0.11906E+00 2816 0.140E+00 0.292E-01 DAV: 2 -0.135105609458E+04 -0.25010E-02 -0.27223E-02 3200 0.202E-01 0.145E-01 DAV: 3 -0.135105598078E+04 0.11380E-03 -0.49069E-04 3488 0.335E-02 0.909E-02 DAV: 4 -0.135105595850E+04 0.22275E-04 -0.43704E-04 3296 0.328E-02 0.305E-02 DAV: 5 -0.135105596474E+04 -0.62348E-05 -0.85855E-05 3360 0.148E-02 106 F= -.13718086E+04 E0= -.13718086E+04 d E =-.181361E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135105607343E+04 -0.11492E-03 -0.12730E+00 2816 0.144E+00 0.302E-01 DAV: 2 -0.135105875223E+04 -0.26788E-02 -0.29169E-02 3232 0.209E-01 0.150E-01 DAV: 3 -0.135105862895E+04 0.12329E-03 -0.52285E-04 3488 0.346E-02 0.938E-02 DAV: 4 -0.135105860091E+04 0.28037E-04 -0.46753E-04 3296 0.339E-02 0.316E-02 DAV: 5 -0.135105860574E+04 -0.48344E-05 -0.92023E-05 3392 0.153E-02 107 F= -.13718092E+04 E0= -.13718092E+04 d E =-.247421E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135106011053E+04 -0.15096E-02 -0.14492E+00 2816 0.156E+00 0.325E-01 DAV: 2 -0.135106318172E+04 -0.30712E-02 -0.33539E-02 3264 0.226E-01 0.144E-01 DAV: 3 -0.135106303532E+04 0.14640E-03 -0.64842E-04 3520 0.384E-02 0.876E-02 DAV: 4 -0.135106300043E+04 0.34890E-04 -0.52165E-04 3296 0.343E-02 0.339E-02 DAV: 5 -0.135106300247E+04 -0.20413E-05 -0.95649E-05 3520 0.156E-02 108 F= -.13718114E+04 E0= -.13718114E+04 d E =-.220793E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135106285528E+04 0.14515E-03 -0.16103E+00 2816 0.164E+00 0.344E-01 DAV: 2 -0.135106625454E+04 -0.33993E-02 -0.37142E-02 3264 0.238E-01 0.153E-01 DAV: 3 -0.135106609006E+04 0.16448E-03 -0.72185E-04 3488 0.405E-02 0.924E-02 DAV: 4 -0.135106604865E+04 0.41417E-04 -0.57640E-04 3296 0.361E-02 0.356E-02 DAV: 5 -0.135106605024E+04 -0.15958E-05 -0.10608E-04 3520 0.165E-02 0.181E-02 DAV: 6 -0.135106605681E+04 -0.65674E-05 -0.23271E-05 2880 0.668E-03 109 F= -.13718122E+04 E0= -.13718122E+04 d E =-.295244E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135106713941E+04 -0.10892E-02 -0.15372E+00 2816 0.161E+00 0.359E-01 DAV: 2 -0.135107039780E+04 -0.32584E-02 -0.35700E-02 3264 0.235E-01 0.163E-01 DAV: 3 -0.135107022953E+04 0.16827E-03 -0.70844E-04 3520 0.405E-02 0.967E-02 DAV: 4 -0.135107019167E+04 0.37859E-04 -0.52144E-04 3232 0.350E-02 0.352E-02 DAV: 5 -0.135107019463E+04 -0.29591E-05 -0.10807E-04 3520 0.163E-02 0.170E-02 DAV: 6 -0.135107020088E+04 -0.62444E-05 -0.17149E-05 2784 0.582E-03 110 F= -.13718139E+04 E0= -.13718139E+04 d E =-.167356E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135107082936E+04 -0.63473E-03 -0.14141E-01 2880 0.489E-01 0.111E-01 DAV: 2 -0.135107113339E+04 -0.30403E-03 -0.33024E-03 3296 0.714E-02 0.491E-02 DAV: 3 -0.135107112028E+04 0.13110E-04 -0.61818E-05 3424 0.123E-02 0.292E-02 DAV: 4 -0.135107112215E+04 -0.18720E-05 -0.44115E-05 3136 0.106E-02 111 F= -.13718140E+04 E0= -.13718140E+04 d E =-.184571E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135107270288E+04 -0.15826E-02 -0.20489E-01 2816 0.601E-01 0.201E-01 DAV: 2 -0.135107315669E+04 -0.45381E-03 -0.51470E-03 3328 0.915E-02 0.801E-02 DAV: 3 -0.135107312330E+04 0.33388E-04 -0.13872E-04 3424 0.185E-02 0.438E-02 DAV: 4 -0.135107311993E+04 0.33631E-05 -0.76611E-05 3328 0.136E-02 112 F= -.13718150E+04 E0= -.13718150E+04 d E =-.100473E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135107352322E+04 -0.39992E-03 -0.19446E-02 3264 0.185E-01 0.656E-02 DAV: 2 -0.135107356723E+04 -0.44016E-04 -0.50107E-04 3296 0.286E-02 0.272E-02 DAV: 3 -0.135107356481E+04 0.24264E-05 -0.11217E-05 2528 0.631E-03 113 F= -.13718152E+04 E0= -.13718152E+04 d E =-.114526E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135107406725E+04 -0.50002E-03 -0.76140E-02 3136 0.367E-01 0.125E-01 DAV: 2 -0.135107422894E+04 -0.16169E-03 -0.18664E-03 3232 0.552E-02 0.503E-02 DAV: 3 -0.135107421654E+04 0.12397E-04 -0.51203E-05 3360 0.111E-02 0.272E-02 DAV: 4 -0.135107421439E+04 0.21561E-05 -0.24462E-05 3040 0.834E-03 114 F= -.13718152E+04 E0= -.13718152E+04 d E =-.118605E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135107394781E+04 0.26874E-03 -0.14045E-02 3296 0.158E-01 0.508E-02 DAV: 2 -0.135107397956E+04 -0.31755E-04 -0.34483E-04 3296 0.238E-02 0.200E-02 DAV: 3 -0.135107397822E+04 0.13428E-05 -0.52088E-06 2176 0.451E-03 115 F= -.13718152E+04 E0= -.13718152E+04 d E =-.121119E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135107512046E+04 -0.11409E-02 -0.11329E-01 2944 0.447E-01 0.985E-02 DAV: 2 -0.135107535439E+04 -0.23393E-03 -0.26359E-03 3264 0.662E-02 0.452E-02 DAV: 3 -0.135107534178E+04 0.12610E-04 -0.59342E-05 3424 0.118E-02 0.265E-02 DAV: 4 -0.135107533991E+04 0.18685E-05 -0.40235E-05 3136 0.998E-03 116 F= -.13718160E+04 E0= -.13718160E+04 d E =-.800502E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.135107653221E+04 -0.11904E-02 -0.71296E-01 2816 0.112E+00 0.253E-01 DAV: 2 -0.135107797654E+04 -0.14443E-02 -0.16439E-02 3296 0.165E-01 0.114E-01 DAV: 3 -0.135107789765E+04 0.78889E-04 -0.39756E-04 3456 0.300E-02 0.667E-02 DAV: 4 -0.135107788009E+04 0.17565E-04 -0.26774E-04 3296 0.252E-02 0.241E-02 DAV: 5 -0.135107787907E+04 0.10200E-05 -0.44015E-05 3360 0.115E-02 117 F= -.13718172E+04 E0= -.13718172E+04 d E =-.192728E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135107834516E+04 -0.46508E-03 -0.17371E-01 2880 0.553E-01 0.127E-01 DAV: 2 -0.135107870282E+04 -0.35765E-03 -0.40415E-03 3264 0.817E-02 0.554E-02 DAV: 3 -0.135107868485E+04 0.17965E-04 -0.91955E-05 3392 0.149E-02 0.323E-02 DAV: 4 -0.135107868324E+04 0.16105E-05 -0.63201E-05 3264 0.124E-02 118 F= -.13718173E+04 E0= -.13718173E+04 d E =-.203195E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135107977474E+04 -0.10899E-02 -0.19856E-01 2880 0.589E-01 0.147E-01 DAV: 2 -0.135108019807E+04 -0.42333E-03 -0.47597E-03 3232 0.890E-02 0.658E-02 DAV: 3 -0.135108017387E+04 0.24201E-04 -0.10992E-04 3424 0.166E-02 0.381E-02 DAV: 4 -0.135108017204E+04 0.18312E-05 -0.76019E-05 3296 0.135E-02 119 F= -.13718182E+04 E0= -.13718182E+04 d E =-.899654E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.135108063770E+04 -0.46383E-03 -0.46573E-02 3200 0.285E-01 0.743E-02 DAV: 2 -0.135108073698E+04 -0.99276E-04 -0.11317E-03 3232 0.434E-02 0.344E-02 DAV: 3 -0.135108073098E+04 0.59947E-05 -0.24646E-05 2912 0.853E-03 120 F= -.13718184E+04 E0= -.13718184E+04 d E =-.117350E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135108117442E+04 -0.43744E-03 -0.18348E-01 2976 0.566E-01 0.143E-01 DAV: 2 -0.135108154820E+04 -0.37379E-03 -0.42475E-03 3232 0.844E-02 0.650E-02 DAV: 3 -0.135108152615E+04 0.22059E-04 -0.10292E-04 3488 0.154E-02 0.371E-02 DAV: 4 -0.135108152204E+04 0.41075E-05 -0.61094E-05 3296 0.124E-02 121 F= -.13718187E+04 E0= -.13718187E+04 d E =-.139354E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135108263907E+04 -0.11129E-02 -0.10596E-01 2912 0.435E-01 0.114E-01 DAV: 2 -0.135108285770E+04 -0.21863E-03 -0.26037E-03 3264 0.669E-02 0.578E-02 DAV: 3 -0.135108284458E+04 0.13127E-04 -0.71302E-05 3456 0.131E-02 0.327E-02 DAV: 4 -0.135108284459E+04 -0.13810E-07 -0.43762E-05 3104 0.100E-02 122 F= -.13718194E+04 E0= -.13718194E+04 d E =-.776827E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.135108354713E+04 -0.70255E-03 -0.59572E-02 2880 0.326E-01 0.875E-02 DAV: 2 -0.135108366997E+04 -0.12285E-03 -0.14808E-03 3296 0.506E-02 0.444E-02 DAV: 3 -0.135108366211E+04 0.78657E-05 -0.40730E-05 3296 0.101E-02 123 F= -.13718199E+04 E0= -.13718199E+04 d E =-.118486E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135108442374E+04 -0.75377E-03 -0.23590E-01 2880 0.649E-01 0.172E-01 DAV: 2 -0.135108488574E+04 -0.46200E-03 -0.56120E-03 3232 0.990E-02 0.880E-02 DAV: 3 -0.135108485673E+04 0.29015E-04 -0.16816E-04 3520 0.192E-02 0.495E-02 DAV: 4 -0.135108485150E+04 0.52290E-05 -0.91746E-05 3328 0.146E-02 124 F= -.13718202E+04 E0= -.13718202E+04 d E =-.155415E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135108622457E+04 -0.13678E-02 -0.12955E-01 2880 0.484E-01 0.135E-01 DAV: 2 -0.135108649692E+04 -0.27235E-03 -0.32060E-03 3296 0.739E-02 0.485E-02 DAV: 3 -0.135108648047E+04 0.16450E-04 -0.87027E-05 3424 0.145E-02 0.276E-02 DAV: 4 -0.135108648049E+04 -0.22730E-07 -0.54285E-05 3200 0.107E-02 125 F= -.13718211E+04 E0= -.13718211E+04 d E =-.835618E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.135108735589E+04 -0.87543E-03 -0.67184E-02 2944 0.348E-01 0.994E-02 DAV: 2 -0.135108749683E+04 -0.14093E-03 -0.16580E-03 3296 0.531E-02 0.364E-02 DAV: 3 -0.135108748787E+04 0.89529E-05 -0.44847E-05 3360 0.106E-02 126 F= -.13718215E+04 E0= -.13718215E+04 d E =-.127183E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135108857786E+04 -0.10810E-02 -0.26581E-01 2880 0.694E-01 0.194E-01 DAV: 2 -0.135108911046E+04 -0.53260E-03 -0.63007E-03 3328 0.104E-01 0.704E-02 DAV: 3 -0.135108907813E+04 0.32322E-04 -0.17980E-04 3456 0.199E-02 0.401E-02 DAV: 4 -0.135108907445E+04 0.36880E-05 -0.97686E-05 3264 0.148E-02 127 F= -.13718219E+04 E0= -.13718219E+04 d E =-.171509E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135109046965E+04 -0.13915E-02 -0.13180E-01 2944 0.486E-01 0.155E-01 DAV: 2 -0.135109076665E+04 -0.29701E-03 -0.33768E-03 3232 0.754E-02 0.723E-02 DAV: 3 -0.135109074706E+04 0.19596E-04 -0.88250E-05 3424 0.151E-02 0.409E-02 DAV: 4 -0.135109074698E+04 0.75219E-07 -0.65392E-05 3296 0.121E-02 128 F= -.13718227E+04 E0= -.13718227E+04 d E =-.750774E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.135109132385E+04 -0.57679E-03 -0.28156E-02 3200 0.225E-01 0.738E-02 DAV: 2 -0.135109138934E+04 -0.65490E-04 -0.74725E-04 3264 0.354E-02 0.359E-02 DAV: 3 -0.135109138491E+04 0.44280E-05 -0.16289E-05 2592 0.738E-03 129 F= -.13718229E+04 E0= -.13718229E+04 d E =-.964458E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.135109219428E+04 -0.80494E-03 -0.11024E-01 2912 0.445E-01 0.142E-01 DAV: 2 -0.135109243207E+04 -0.23779E-03 -0.27419E-03 3232 0.682E-02 0.677E-02 DAV: 3 -0.135109241654E+04 0.15526E-04 -0.74379E-05 3456 0.132E-02 0.379E-02 DAV: 4 -0.135109241449E+04 0.20545E-05 -0.46352E-05 3104 0.105E-02 130 F= -.13718231E+04 E0= -.13718231E+04 d E =-.114522E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135109336562E+04 -0.94907E-03 -0.77339E-02 2944 0.369E-01 0.793E-02 DAV: 2 -0.135109353120E+04 -0.16558E-03 -0.18749E-03 3200 0.560E-02 0.416E-02 DAV: 3 -0.135109352432E+04 0.68774E-05 -0.41495E-05 3392 0.102E-02 131 F= -.13718236E+04 E0= -.13718236E+04 d E =-.520228E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.135109501569E+04 -0.14845E-02 -0.68978E-01 2816 0.110E+00 0.234E-01 DAV: 2 -0.135109643452E+04 -0.14188E-02 -0.16075E-02 3264 0.164E-01 0.124E-01 DAV: 3 -0.135109637183E+04 0.62683E-04 -0.38750E-04 3456 0.293E-02 0.751E-02 DAV: 4 -0.135109635923E+04 0.12604E-04 -0.26441E-04 3232 0.248E-02 0.269E-02 DAV: 5 -0.135109635927E+04 -0.40905E-07 -0.43472E-05 3456 0.117E-02 132 F= -.13718247E+04 E0= -.13718247E+04 d E =-.158410E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135109430742E+04 0.20518E-02 -0.27704E+00 2816 0.221E+00 0.464E-01 DAV: 2 -0.135110019887E+04 -0.58914E-02 -0.65833E-02 3264 0.331E-01 0.241E-01 DAV: 3 -0.135109992713E+04 0.27175E-03 -0.14960E-03 3520 0.586E-02 0.147E-01 DAV: 4 -0.135109985965E+04 0.67479E-04 -0.11199E-03 3264 0.504E-02 0.537E-02 DAV: 5 -0.135109985358E+04 0.60645E-05 -0.19198E-04 3648 0.240E-02 0.265E-02 DAV: 6 -0.135109985950E+04 -0.59141E-05 -0.52304E-05 3168 0.102E-02 133 F= -.13718246E+04 E0= -.13718246E+04 d E =-.153205E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135109671536E+04 0.31382E-02 -0.81545E-01 2816 0.120E+00 0.247E-01 DAV: 2 -0.135109842419E+04 -0.17088E-02 -0.19169E-02 3296 0.179E-01 0.132E-01 DAV: 3 -0.135109834166E+04 0.82533E-04 -0.43497E-04 3456 0.316E-02 0.811E-02 DAV: 4 -0.135109832721E+04 0.14450E-04 -0.32412E-04 3296 0.271E-02 0.295E-02 DAV: 5 -0.135109832864E+04 -0.14336E-05 -0.52835E-05 3520 0.128E-02 134 F= -.13718250E+04 E0= -.13718250E+04 d E =-.193212E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135109958656E+04 -0.12593E-02 -0.24452E-01 2880 0.656E-01 0.165E-01 DAV: 2 -0.135110009763E+04 -0.51107E-03 -0.57730E-03 3232 0.977E-02 0.781E-02 DAV: 3 -0.135110006329E+04 0.34339E-04 -0.12857E-04 3456 0.173E-02 0.460E-02 DAV: 4 -0.135110005585E+04 0.74364E-05 -0.97490E-05 3264 0.155E-02 135 F= -.13718259E+04 E0= -.13718259E+04 d E =-.903399E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.135110063237E+04 -0.56908E-03 -0.59829E-02 3264 0.324E-01 0.868E-02 DAV: 2 -0.135110075777E+04 -0.12540E-03 -0.14667E-03 3232 0.492E-02 0.403E-02 DAV: 3 -0.135110075007E+04 0.76990E-05 -0.31887E-05 3136 0.931E-03 136 F= -.13718262E+04 E0= -.13718262E+04 d E =-.119115E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135110137659E+04 -0.61882E-03 -0.23525E-01 2976 0.644E-01 0.167E-01 DAV: 2 -0.135110185370E+04 -0.47711E-03 -0.54780E-03 3200 0.954E-02 0.776E-02 DAV: 3 -0.135110182578E+04 0.27925E-04 -0.13276E-04 3456 0.173E-02 0.452E-02 DAV: 4 -0.135110182005E+04 0.57266E-05 -0.89217E-05 3296 0.152E-02 137 F= -.13718265E+04 E0= -.13718265E+04 d E =-.144774E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135110265880E+04 -0.83302E-03 -0.14419E-01 2880 0.503E-01 0.156E-01 DAV: 2 -0.135110297255E+04 -0.31376E-03 -0.36412E-03 3232 0.772E-02 0.813E-02 DAV: 3 -0.135110295190E+04 0.20656E-04 -0.89976E-05 3456 0.150E-02 0.452E-02 DAV: 4 -0.135110295205E+04 -0.15329E-06 -0.64034E-05 3232 0.123E-02 138 F= -.13718271E+04 E0= -.13718271E+04 d E =-.686677E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.135110330602E+04 -0.35412E-03 -0.31283E-02 3264 0.234E-01 0.751E-02 DAV: 2 -0.135110337471E+04 -0.68690E-04 -0.80913E-04 3232 0.363E-02 0.401E-02 DAV: 3 -0.135110336979E+04 0.49203E-05 -0.16293E-05 2496 0.730E-03 139 F= -.13718274E+04 E0= -.13718274E+04 d E =-.897701E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.135110376518E+04 -0.39047E-03 -0.12251E-01 3040 0.464E-01 0.144E-01 DAV: 2 -0.135110401943E+04 -0.25425E-03 -0.29865E-03 3264 0.701E-02 0.757E-02 DAV: 3 -0.135110400185E+04 0.17572E-04 -0.77242E-05 3456 0.134E-02 0.414E-02 DAV: 4 -0.135110400037E+04 0.14835E-05 -0.45630E-05 3200 0.107E-02 140 F= -.13718276E+04 E0= -.13718276E+04 d E =-.111478E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135110502911E+04 -0.10273E-02 -0.20728E-01 2880 0.600E-01 0.141E-01 DAV: 2 -0.135110547494E+04 -0.44584E-03 -0.49640E-03 3200 0.894E-02 0.594E-02 DAV: 3 -0.135110545136E+04 0.23587E-04 -0.10361E-04 3456 0.161E-02 0.345E-02 DAV: 4 -0.135110544817E+04 0.31826E-05 -0.77388E-05 3264 0.139E-02 141 F= -.13718285E+04 E0= -.13718285E+04 d E =-.883919E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.135110599242E+04 -0.54106E-03 -0.66370E-02 2944 0.339E-01 0.832E-02 DAV: 2 -0.135110613367E+04 -0.14125E-03 -0.16055E-03 3200 0.509E-02 0.359E-02 DAV: 3 -0.135110612538E+04 0.82861E-05 -0.33447E-05 3136 0.982E-03 142 F= -.13718288E+04 E0= -.13718288E+04 d E =-.124241E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135110666333E+04 -0.52966E-03 -0.26169E-01 2816 0.674E-01 0.161E-01 DAV: 2 -0.135110720134E+04 -0.53802E-03 -0.60608E-03 3264 0.992E-02 0.684E-02 DAV: 3 -0.135110717246E+04 0.28881E-04 -0.13644E-04 3456 0.179E-02 0.395E-02 DAV: 4 -0.135110716623E+04 0.62323E-05 -0.89485E-05 3264 0.154E-02 143 F= -.13718292E+04 E0= -.13718292E+04 d E =-.164514E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135110831441E+04 -0.11420E-02 -0.34114E-01 2880 0.775E-01 0.214E-01 DAV: 2 -0.135110903645E+04 -0.72204E-03 -0.83047E-03 3264 0.116E-01 0.110E-01 DAV: 3 -0.135110898731E+04 0.49143E-04 -0.21096E-04 3424 0.231E-02 0.634E-02 DAV: 4 -0.135110898217E+04 0.51407E-05 -0.16556E-04 3296 0.200E-02 0.197E-02 DAV: 5 -0.135110898105E+04 0.11148E-05 -0.29854E-05 3168 0.949E-03 144 F= -.13718301E+04 E0= -.13718301E+04 d E =-.898878E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.135110936195E+04 -0.37979E-03 -0.54634E-02 2944 0.310E-01 0.876E-02 DAV: 2 -0.135110948126E+04 -0.11931E-03 -0.13481E-03 3296 0.467E-02 0.442E-02 DAV: 3 -0.135110947382E+04 0.74358E-05 -0.29305E-05 3168 0.924E-03 145 F= -.13718302E+04 E0= -.13718302E+04 d E =-.102422E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135110959346E+04 -0.11220E-03 -0.53487E-03 3200 0.971E-02 0.308E-02 DAV: 2 -0.135110960192E+04 -0.84639E-05 -0.11159E-04 3296 0.142E-02 0.167E-02 DAV: 3 -0.135110960202E+04 -0.96406E-07 -0.27844E-06 2240 0.353E-03 146 F= -.13718303E+04 E0= -.13718303E+04 d E =-.103472E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135111002411E+04 -0.42218E-03 -0.33962E-01 2816 0.766E-01 0.150E-01 DAV: 2 -0.135111073806E+04 -0.71395E-03 -0.79946E-03 3168 0.113E-01 0.812E-02 DAV: 3 -0.135111070587E+04 0.32182E-04 -0.17236E-04 3488 0.200E-02 0.516E-02 DAV: 4 -0.135111069882E+04 0.70579E-05 -0.15566E-04 3264 0.197E-02 0.192E-02 DAV: 5 -0.135111069830E+04 0.51779E-06 -0.25416E-05 3072 0.879E-03 147 F= -.13718309E+04 E0= -.13718309E+04 d E =-.669406E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.135110997137E+04 0.72745E-03 -0.91161E-01 2816 0.126E+00 0.247E-01 DAV: 2 -0.135111191752E+04 -0.19462E-02 -0.21723E-02 3232 0.187E-01 0.132E-01 DAV: 3 -0.135111182846E+04 0.89067E-04 -0.46374E-04 3520 0.331E-02 0.841E-02 DAV: 4 -0.135111180624E+04 0.22214E-04 -0.43586E-04 3264 0.327E-02 0.320E-02 DAV: 5 -0.135111180382E+04 0.24263E-05 -0.76318E-05 3456 0.147E-02 148 F= -.13718313E+04 E0= -.13718313E+04 d E =-.107452E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135111215566E+04 -0.34942E-03 -0.15348E-01 2880 0.516E-01 0.107E-01 DAV: 2 -0.135111248822E+04 -0.33256E-03 -0.37123E-03 3296 0.770E-02 0.547E-02 DAV: 3 -0.135111247481E+04 0.13410E-04 -0.75092E-05 3456 0.137E-02 0.346E-02 DAV: 4 -0.135111247531E+04 -0.49775E-06 -0.72111E-05 3136 0.135E-02 149 F= -.13718319E+04 E0= -.13718319E+04 d E =-.561212E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.135111205381E+04 0.42100E-03 -0.75314E-01 2816 0.114E+00 0.237E-01 DAV: 2 -0.135111366132E+04 -0.16075E-02 -0.17962E-02 3264 0.170E-01 0.125E-01 DAV: 3 -0.135111358732E+04 0.74000E-04 -0.38069E-04 3488 0.298E-02 0.783E-02 DAV: 4 -0.135111357422E+04 0.13106E-04 -0.34909E-04 3296 0.290E-02 0.287E-02 DAV: 5 -0.135111357341E+04 0.80517E-06 -0.59780E-05 3520 0.132E-02 150 F= -.13718327E+04 E0= -.13718327E+04 d E =-.141501E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135110804628E+04 0.55279E-02 -0.30047E+00 2816 0.228E+00 0.469E-01 DAV: 2 -0.135111450577E+04 -0.64595E-02 -0.71352E-02 3232 0.338E-01 0.245E-01 DAV: 3 -0.135111421965E+04 0.28612E-03 -0.15006E-03 3552 0.585E-02 0.154E-01 DAV: 4 -0.135111414896E+04 0.70691E-04 -0.13609E-03 3264 0.571E-02 0.560E-02 DAV: 5 -0.135111414192E+04 0.70401E-05 -0.23862E-04 3456 0.257E-02 0.297E-02 DAV: 6 -0.135111414523E+04 -0.33074E-05 -0.80569E-05 3264 0.123E-02 151 F= -.13718328E+04 E0= -.13718328E+04 d E =-.149483E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135111258689E+04 0.15550E-02 -0.77459E-01 2816 0.116E+00 0.233E-01 DAV: 2 -0.135111422126E+04 -0.16344E-02 -0.18097E-02 3200 0.171E-01 0.125E-01 DAV: 3 -0.135111414971E+04 0.71552E-04 -0.39735E-04 3456 0.296E-02 0.787E-02 DAV: 4 -0.135111413628E+04 0.13428E-04 -0.35627E-04 3296 0.290E-02 0.288E-02 DAV: 5 -0.135111413635E+04 -0.71246E-07 -0.58225E-05 3392 0.128E-02 152 F= -.13718331E+04 E0= -.13718331E+04 d E =-.173666E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135111432105E+04 -0.18477E-03 -0.44381E-01 2880 0.880E-01 0.202E-01 DAV: 2 -0.135111526523E+04 -0.94418E-03 -0.10478E-02 3296 0.131E-01 0.972E-02 DAV: 3 -0.135111521288E+04 0.52353E-04 -0.22201E-04 3456 0.225E-02 0.574E-02 DAV: 4 -0.135111520301E+04 0.98655E-05 -0.15680E-04 3264 0.190E-02 0.191E-02 DAV: 5 -0.135111520327E+04 -0.25837E-06 -0.23449E-05 3072 0.882E-03 153 F= -.13718339E+04 E0= -.13718339E+04 d E =-.867164E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.135111475707E+04 0.44594E-03 -0.45795E-01 2816 0.894E-01 0.209E-01 DAV: 2 -0.135111575231E+04 -0.99523E-03 -0.11014E-02 3232 0.133E-01 0.985E-02 DAV: 3 -0.135111570240E+04 0.49910E-04 -0.23178E-04 3488 0.236E-02 0.579E-02 DAV: 4 -0.135111569497E+04 0.74234E-05 -0.17300E-04 3264 0.199E-02 0.203E-02 DAV: 5 -0.135111569422E+04 0.75120E-06 -0.27226E-05 3168 0.956E-03 154 F= -.13718342E+04 E0= -.13718342E+04 d E =-.115403E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135111580109E+04 -0.10612E-03 -0.58821E-01 2816 0.101E+00 0.203E-01 DAV: 2 -0.135111704638E+04 -0.12453E-02 -0.13595E-02 3200 0.148E-01 0.939E-02 DAV: 3 -0.135111699247E+04 0.53915E-04 -0.26668E-04 3488 0.248E-02 0.581E-02 DAV: 4 -0.135111698243E+04 0.10039E-04 -0.22675E-04 3264 0.234E-02 0.215E-02 DAV: 5 -0.135111698213E+04 0.29574E-06 -0.35897E-05 3328 0.103E-02 155 F= -.13718352E+04 E0= -.13718352E+04 d E =-.958059E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.135111493241E+04 0.20500E-02 -0.15973E+00 2816 0.167E+00 0.336E-01 DAV: 2 -0.135111831223E+04 -0.33798E-02 -0.36926E-02 3200 0.244E-01 0.156E-01 DAV: 3 -0.135111816340E+04 0.14883E-03 -0.74623E-04 3488 0.411E-02 0.964E-02 DAV: 4 -0.135111812482E+04 0.38582E-04 -0.62960E-04 3328 0.390E-02 0.359E-02 DAV: 5 -0.135111812244E+04 0.23754E-05 -0.10487E-04 3392 0.170E-02 0.199E-02 DAV: 6 -0.135111812352E+04 -0.10810E-05 -0.38899E-05 3200 0.853E-03 156 F= -.13718358E+04 E0= -.13718358E+04 d E =-.155378E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135111838230E+04 -0.25986E-03 -0.47316E-01 2880 0.911E-01 0.191E-01 DAV: 2 -0.135111939988E+04 -0.10176E-02 -0.11152E-02 3200 0.135E-01 0.918E-02 DAV: 3 -0.135111935931E+04 0.40564E-04 -0.23181E-04 3488 0.229E-02 0.556E-02 DAV: 4 -0.135111935302E+04 0.62888E-05 -0.15786E-04 3264 0.192E-02 0.203E-02 DAV: 5 -0.135111935357E+04 -0.54910E-06 -0.23198E-05 2976 0.892E-03 157 F= -.13718366E+04 E0= -.13718366E+04 d E =-.861090E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.135111822922E+04 0.11238E-02 -0.10200E+00 2816 0.134E+00 0.280E-01 DAV: 2 -0.135112041630E+04 -0.21871E-02 -0.24032E-02 3264 0.198E-01 0.135E-01 DAV: 3 -0.135112032318E+04 0.93125E-04 -0.51011E-04 3552 0.341E-02 0.816E-02 DAV: 4 -0.135112030281E+04 0.20367E-04 -0.35715E-04 3296 0.286E-02 0.304E-02 DAV: 5 -0.135112030127E+04 0.15383E-05 -0.57486E-05 3392 0.134E-02 158 F= -.13718370E+04 E0= -.13718370E+04 d E =-.126332E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135112058749E+04 -0.28468E-03 -0.27926E-01 2816 0.704E-01 0.141E-01 DAV: 2 -0.135112118490E+04 -0.59741E-03 -0.65557E-03 3264 0.104E-01 0.661E-02 DAV: 3 -0.135112116172E+04 0.23172E-04 -0.14151E-04 3456 0.185E-02 0.401E-02 DAV: 4 -0.135112115985E+04 0.18741E-05 -0.94812E-05 3296 0.149E-02 159 F= -.13718376E+04 E0= -.13718376E+04 d E =-.574839E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.135112133835E+04 -0.17662E-03 -0.37862E-02 3072 0.259E-01 0.557E-02 DAV: 2 -0.135112141857E+04 -0.80222E-04 -0.90837E-04 3296 0.388E-02 0.277E-02 DAV: 3 -0.135112141532E+04 0.32488E-05 -0.19128E-05 2752 0.779E-03 160 F= -.13718378E+04 E0= -.13718378E+04 d E =-.726073E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.135112153886E+04 -0.12029E-03 -0.14908E-01 2880 0.514E-01 0.104E-01 DAV: 2 -0.135112184058E+04 -0.30173E-03 -0.33795E-03 3264 0.749E-02 0.504E-02 DAV: 3 -0.135112182964E+04 0.10939E-04 -0.82160E-05 3456 0.136E-02 0.306E-02 DAV: 4 -0.135112182825E+04 0.13903E-05 -0.45261E-05 3104 0.108E-02 161 F= -.13718380E+04 E0= -.13718380E+04 d E =-.929889E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.135112216324E+04 -0.33360E-03 -0.10043E-01 2880 0.428E-01 0.131E-01 DAV: 2 -0.135112237269E+04 -0.20945E-03 -0.24580E-03 3328 0.643E-02 0.555E-02 DAV: 3 -0.135112235519E+04 0.17502E-04 -0.62575E-05 3456 0.131E-02 0.318E-02 DAV: 4 -0.135112235359E+04 0.16043E-05 -0.46906E-05 3168 0.109E-02 162 F= -.13718386E+04 E0= -.13718386E+04 d E =-.625595E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.135112243056E+04 -0.75372E-04 -0.22320E-02 2944 0.202E-01 0.638E-02 DAV: 2 -0.135112247756E+04 -0.47002E-04 -0.56218E-04 3328 0.307E-02 0.280E-02 DAV: 3 -0.135112247324E+04 0.43295E-05 -0.11251E-05 2432 0.660E-03 163 F= -.13718388E+04 E0= -.13718388E+04 d E =-.791882E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.135112231240E+04 0.16516E-03 -0.87482E-02 2880 0.400E-01 0.124E-01 DAV: 2 -0.135112248665E+04 -0.17425E-03 -0.20761E-03 3328 0.593E-02 0.528E-02 DAV: 3 -0.135112247239E+04 0.14261E-04 -0.54597E-05 3392 0.118E-02 0.300E-02 DAV: 4 -0.135112247017E+04 0.22185E-05 -0.35046E-05 3008 0.101E-02 164 F= -.13718388E+04 E0= -.13718388E+04 d E =-.881237E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.135112248917E+04 -0.16774E-04 -0.78936E-03 3168 0.121E-01 0.344E-02 DAV: 2 -0.135112250622E+04 -0.17058E-04 -0.18186E-04 3232 0.177E-02 0.141E-02 DAV: 3 -0.135112250536E+04 0.86256E-06 -0.15115E-06 2240 0.326E-03 165 F= -.13718389E+04 E0= -.13718389E+04 d E =-.888753E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.135112280855E+04 -0.30233E-03 -0.65204E-02 2880 0.343E-01 0.733E-02 DAV: 2 -0.135112294226E+04 -0.13371E-03 -0.15112E-03 3264 0.502E-02 0.348E-02 DAV: 3 -0.135112293489E+04 0.73756E-05 -0.31695E-05 3200 0.901E-03 166 F= -.13718393E+04 E0= -.13718393E+04 d E =-.442096E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.135112249616E+04 0.44610E-03 -0.55949E-01 2816 0.100E+00 0.220E-01 DAV: 2 -0.135112359538E+04 -0.10992E-02 -0.12573E-02 3264 0.145E-01 0.105E-01 DAV: 3 -0.135112353851E+04 0.56872E-04 -0.31520E-04 3424 0.267E-02 0.644E-02 DAV: 4 -0.135112352581E+04 0.12702E-04 -0.21209E-04 3264 0.227E-02 0.245E-02 DAV: 5 -0.135112352502E+04 0.79461E-06 -0.36391E-05 3360 0.107E-02 167 F= -.13718399E+04 E0= -.13718399E+04 d E =-.106373E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135112394350E+04 -0.41769E-03 -0.89272E-02 2944 0.399E-01 0.122E-01 DAV: 2 -0.135112414405E+04 -0.20055E-03 -0.22781E-03 3232 0.615E-02 0.581E-02 DAV: 3 -0.135112413034E+04 0.13714E-04 -0.59667E-05 3424 0.127E-02 0.318E-02 DAV: 4 -0.135112412941E+04 0.92274E-06 -0.32889E-05 3072 0.902E-03 168 F= -.13718405E+04 E0= -.13718405E+04 d E =-.558426E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.135112422470E+04 -0.94362E-04 -0.91996E-02 2880 0.404E-01 0.127E-01 DAV: 2 -0.135112442894E+04 -0.20424E-03 -0.23509E-03 3296 0.625E-02 0.616E-02 DAV: 3 -0.135112441351E+04 0.15433E-04 -0.64325E-05 3424 0.132E-02 0.332E-02 DAV: 4 -0.135112441180E+04 0.17026E-05 -0.36193E-05 3200 0.941E-03 169 F= -.13718407E+04 E0= -.13718407E+04 d E =-.792839E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.135112480868E+04 -0.39518E-03 -0.11751E-01 2880 0.459E-01 0.129E-01 DAV: 2 -0.135112504962E+04 -0.24094E-03 -0.27375E-03 3232 0.679E-02 0.626E-02 DAV: 3 -0.135112503498E+04 0.14637E-04 -0.70449E-05 3456 0.133E-02 0.358E-02 DAV: 4 -0.135112503406E+04 0.92050E-06 -0.50860E-05 3136 0.114E-02 170 F= -.13718414E+04 E0= -.13718414E+04 d E =-.645535E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.135112520077E+04 -0.16578E-03 -0.40814E-02 2976 0.270E-01 0.789E-02 DAV: 2 -0.135112528455E+04 -0.83780E-04 -0.97340E-04 3296 0.406E-02 0.382E-02 DAV: 3 -0.135112527929E+04 0.52599E-05 -0.24096E-05 3104 0.828E-03 171 F= -.13718416E+04 E0= -.13718416E+04 d E =-.903469E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.135112521121E+04 0.73332E-04 -0.16075E-01 2880 0.537E-01 0.153E-01 DAV: 2 -0.135112552261E+04 -0.31140E-03 -0.36218E-03 3264 0.786E-02 0.739E-02 DAV: 3 -0.135112550346E+04 0.19151E-04 -0.10522E-04 3456 0.155E-02 0.417E-02 DAV: 4 -0.135112549921E+04 0.42553E-05 -0.59574E-05 3232 0.130E-02 172 F= -.13718419E+04 E0= -.13718419E+04 d E =-.114661E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135112570923E+04 -0.20577E-03 -0.49673E-02 2944 0.295E-01 0.701E-02 DAV: 2 -0.135112581103E+04 -0.10180E-03 -0.11513E-03 3232 0.440E-02 0.307E-02 DAV: 3 -0.135112580708E+04 0.39435E-05 -0.25862E-05 3104 0.849E-03 173 F= -.13718423E+04 E0= -.13718423E+04 d E =-.441178E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.135112546263E+04 0.34840E-03 -0.44269E-01 2880 0.882E-01 0.207E-01 DAV: 2 -0.135112634914E+04 -0.88651E-03 -0.98489E-03 3232 0.128E-01 0.933E-02 DAV: 3 -0.135112630938E+04 0.39764E-04 -0.24688E-04 3520 0.236E-02 0.541E-02 DAV: 4 -0.135112630447E+04 0.49098E-05 -0.14398E-04 3296 0.188E-02 0.201E-02 DAV: 5 -0.135112630501E+04 -0.54146E-06 -0.20597E-05 2944 0.876E-03 174 F= -.13718432E+04 E0= -.13718432E+04 d E =-.133223E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135112187217E+04 0.44323E-02 -0.17789E+00 2816 0.177E+00 0.412E-01 DAV: 2 -0.135112555143E+04 -0.36793E-02 -0.40332E-02 3232 0.259E-01 0.183E-01 DAV: 3 -0.135112537346E+04 0.17797E-03 -0.95592E-04 3552 0.473E-02 0.106E-01 DAV: 4 -0.135112534160E+04 0.31856E-04 -0.60647E-04 3296 0.377E-02 0.404E-02 DAV: 5 -0.135112534016E+04 0.14411E-05 -0.10238E-04 3680 0.178E-02 0.195E-02 DAV: 6 -0.135112534256E+04 -0.23957E-05 -0.27071E-05 3200 0.730E-03 175 F= -.13718430E+04 E0= -.13718430E+04 d E =-.112385E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135112503427E+04 0.30589E-03 -0.61890E-01 2880 0.104E+00 0.239E-01 DAV: 2 -0.135112630105E+04 -0.12668E-02 -0.13937E-02 3264 0.153E-01 0.109E-01 DAV: 3 -0.135112623762E+04 0.63428E-04 -0.32993E-04 3488 0.278E-02 0.632E-02 DAV: 4 -0.135112622826E+04 0.93597E-05 -0.21101E-04 3296 0.221E-02 0.237E-02 DAV: 5 -0.135112622802E+04 0.23883E-06 -0.31646E-05 3328 0.104E-02 176 F= -.13718434E+04 E0= -.13718434E+04 d E =-.156954E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135112632151E+04 -0.93249E-04 -0.83374E-02 3136 0.380E-01 0.872E-02 DAV: 2 -0.135112648824E+04 -0.16673E-03 -0.18710E-03 3296 0.561E-02 0.480E-02 DAV: 3 -0.135112647999E+04 0.82492E-05 -0.41606E-05 3424 0.990E-03 177 F= -.13718440E+04 E0= -.13718440E+04 d E =-.530071E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.135112522110E+04 0.12671E-02 -0.74514E-01 2880 0.113E+00 0.269E-01 DAV: 2 -0.135112673413E+04 -0.15130E-02 -0.16741E-02 3296 0.168E-01 0.146E-01 DAV: 3 -0.135112667206E+04 0.62074E-04 -0.39427E-04 3456 0.301E-02 0.868E-02 DAV: 4 -0.135112666849E+04 0.35668E-05 -0.28308E-04 3296 0.259E-02 0.263E-02 DAV: 5 -0.135112666755E+04 0.93790E-06 -0.46916E-05 3392 0.122E-02 178 F= -.13718450E+04 E0= -.13718450E+04 d E =-.153980E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135111860265E+04 0.80658E-02 -0.29946E+00 2816 0.227E+00 0.531E-01 DAV: 2 -0.135112490235E+04 -0.62997E-02 -0.68698E-02 3264 0.338E-01 0.285E-01 DAV: 3 -0.135112463160E+04 0.27075E-03 -0.15219E-03 3520 0.600E-02 0.172E-01 DAV: 4 -0.135112459983E+04 0.31776E-04 -0.11950E-03 3296 0.525E-02 0.531E-02 DAV: 5 -0.135112459236E+04 0.74636E-05 -0.21212E-04 3712 0.252E-02 0.274E-02 DAV: 6 -0.135112459796E+04 -0.55980E-05 -0.58125E-05 3200 0.102E-02 179 F= -.13718445E+04 E0= -.13718445E+04 d E =-.105528E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135112384251E+04 0.74985E-03 -0.12528E+00 2880 0.147E+00 0.341E-01 DAV: 2 -0.135112644956E+04 -0.26070E-02 -0.28422E-02 3264 0.218E-01 0.185E-01 DAV: 3 -0.135112633473E+04 0.11483E-03 -0.63662E-04 3456 0.389E-02 0.110E-01 DAV: 4 -0.135112632760E+04 0.71259E-05 -0.49899E-04 3296 0.338E-02 0.341E-02 DAV: 5 -0.135112632448E+04 0.31201E-05 -0.84564E-05 3680 0.161E-02 180 F= -.13718452E+04 E0= -.13718452E+04 d E =-.176519E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135112650136E+04 -0.17376E-03 -0.25896E-01 2880 0.667E-01 0.125E-01 DAV: 2 -0.135112701395E+04 -0.51259E-03 -0.56416E-03 3264 0.970E-02 0.675E-02 DAV: 3 -0.135112699336E+04 0.20586E-04 -0.12624E-04 3488 0.167E-02 0.425E-02 DAV: 4 -0.135112699050E+04 0.28551E-05 -0.94078E-05 3264 0.151E-02 181 F= -.13718462E+04 E0= -.13718462E+04 d E =-.100410E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135112446377E+04 0.25296E-02 -0.17522E+00 2880 0.173E+00 0.334E-01 DAV: 2 -0.135112802262E+04 -0.35588E-02 -0.38875E-02 3296 0.254E-01 0.175E-01 DAV: 3 -0.135112789714E+04 0.12548E-03 -0.86663E-04 3520 0.443E-02 0.110E-01 DAV: 4 -0.135112788382E+04 0.13314E-04 -0.68648E-04 3296 0.398E-02 0.421E-02 DAV: 5 -0.135112788320E+04 0.61942E-06 -0.11617E-04 3584 0.184E-02 0.188E-02 DAV: 6 -0.135112788548E+04 -0.22762E-05 -0.34250E-05 3168 0.803E-03 182 F= -.13718479E+04 E0= -.13718479E+04 d E =-.274055E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135111234446E+04 0.15539E-01 -0.70117E+00 2816 0.346E+00 0.661E-01 DAV: 2 -0.135112667171E+04 -0.14327E-01 -0.15516E-01 3296 0.506E-01 0.345E-01 DAV: 3 -0.135112616430E+04 0.50740E-03 -0.33713E-03 3520 0.868E-02 0.217E-01 DAV: 4 -0.135112607854E+04 0.85760E-04 -0.26277E-03 3264 0.781E-02 0.816E-02 DAV: 5 -0.135112607702E+04 0.15197E-05 -0.45814E-04 3616 0.359E-02 0.369E-02 DAV: 6 -0.135112608534E+04 -0.83173E-05 -0.13337E-04 3200 0.155E-02 0.184E-02 DAV: 7 -0.135112608411E+04 0.12371E-05 -0.67310E-06 2240 0.591E-03 183 F= -.13718476E+04 E0= -.13718476E+04 d E =-.243730E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135112301421E+04 0.30711E-02 -0.24149E+00 2816 0.203E+00 0.385E-01 DAV: 2 -0.135112791001E+04 -0.48958E-02 -0.53162E-02 3296 0.296E-01 0.203E-01 DAV: 3 -0.135112773933E+04 0.17068E-03 -0.11509E-03 3520 0.508E-02 0.127E-01 DAV: 4 -0.135112772082E+04 0.18507E-04 -0.90834E-04 3296 0.457E-02 0.477E-02 DAV: 5 -0.135112772219E+04 -0.13739E-05 -0.15474E-04 3616 0.209E-02 0.215E-02 DAV: 6 -0.135112772637E+04 -0.41723E-05 -0.43907E-05 3168 0.896E-03 184 F= -.13718484E+04 E0= -.13718484E+04 d E =-.323105E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135112788471E+04 -0.16252E-03 -0.42927E-01 2880 0.854E-01 0.189E-01 DAV: 2 -0.135112875821E+04 -0.87350E-03 -0.95284E-03 3296 0.125E-01 0.947E-02 DAV: 3 -0.135112872234E+04 0.35867E-04 -0.21716E-04 3456 0.226E-02 0.575E-02 DAV: 4 -0.135112872192E+04 0.42068E-06 -0.17990E-04 3264 0.202E-02 0.208E-02 DAV: 5 -0.135112872063E+04 0.12951E-05 -0.28302E-05 3232 0.953E-03 185 F= -.13718497E+04 E0= -.13718497E+04 d E =-.130534E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135112284617E+04 0.58758E-02 -0.34274E+00 2816 0.241E+00 0.544E-01 DAV: 2 -0.135112996674E+04 -0.71206E-02 -0.76728E-02 3296 0.354E-01 0.265E-01 DAV: 3 -0.135112970428E+04 0.26246E-03 -0.17341E-03 3488 0.638E-02 0.161E-01 DAV: 4 -0.135112970027E+04 0.40148E-05 -0.14293E-03 3296 0.566E-02 0.584E-02 DAV: 5 -0.135112968759E+04 0.12676E-04 -0.25293E-04 3648 0.269E-02 0.285E-02 DAV: 6 -0.135112969224E+04 -0.46502E-05 -0.73874E-05 3232 0.114E-02 186 F= -.13718515E+04 E0= -.13718515E+04 d E =-.306277E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135112990624E+04 -0.21864E-03 -0.53326E-01 2880 0.946E-01 0.201E-01 DAV: 2 -0.135113100113E+04 -0.10949E-02 -0.11638E-02 3200 0.138E-01 0.101E-01 DAV: 3 -0.135113097609E+04 0.25042E-04 -0.24768E-04 3456 0.245E-02 0.609E-02 DAV: 4 -0.135113098327E+04 -0.71861E-05 -0.17697E-04 3328 0.206E-02 0.226E-02 DAV: 5 -0.135113098408E+04 -0.80265E-06 -0.28742E-05 3296 0.996E-03 187 F= -.13718532E+04 E0= -.13718532E+04 d E =-.168479E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135112314164E+04 0.78416E-02 -0.47883E+00 2816 0.283E+00 0.599E-01 DAV: 2 -0.135113292461E+04 -0.97830E-02 -0.10442E-01 3296 0.414E-01 0.306E-01 DAV: 3 -0.135113264123E+04 0.28338E-03 -0.22527E-03 3456 0.742E-02 0.183E-01 DAV: 4 -0.135113265489E+04 -0.13656E-04 -0.16544E-03 3328 0.621E-02 0.687E-02 DAV: 5 -0.135113264944E+04 0.54409E-05 -0.29119E-04 3776 0.301E-02 0.302E-02 DAV: 6 -0.135113265935E+04 -0.99043E-05 -0.73925E-05 3200 0.116E-02 188 F= -.13718559E+04 E0= -.13718559E+04 d E =-.437730E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135113316735E+04 -0.51791E-03 -0.31405E-01 2880 0.719E-01 0.149E-01 DAV: 2 -0.135113381078E+04 -0.64343E-03 -0.66745E-03 3232 0.103E-01 0.725E-02 DAV: 3 -0.135113380113E+04 0.96505E-05 -0.12897E-04 3456 0.173E-02 0.445E-02 DAV: 4 -0.135113381067E+04 -0.95439E-05 -0.98691E-05 3264 0.155E-02 189 F= -.13718574E+04 E0= -.13718574E+04 d E =-.152323E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135113098864E+04 0.28125E-02 -0.28197E+00 2816 0.215E+00 0.445E-01 DAV: 2 -0.135113668926E+04 -0.57006E-02 -0.59947E-02 3328 0.309E-01 0.222E-01 DAV: 3 -0.135113655265E+04 0.13662E-03 -0.12286E-03 3456 0.535E-02 0.136E-01 DAV: 4 -0.135113658143E+04 -0.28779E-04 -0.98679E-04 3264 0.479E-02 0.509E-02 DAV: 5 -0.135113658112E+04 0.30798E-06 -0.16855E-04 3680 0.226E-02 0.227E-02 DAV: 6 -0.135113658748E+04 -0.63584E-05 -0.48066E-05 3232 0.931E-03 190 F= -.13718612E+04 E0= -.13718612E+04 d E =-.531166E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135111640947E+04 0.20172E-01 -0.11275E+01 2816 0.430E+00 0.885E-01 DAV: 2 -0.135113928226E+04 -0.22873E-01 -0.23936E-01 3328 0.617E-01 0.440E-01 DAV: 3 -0.135113872314E+04 0.55912E-03 -0.48694E-03 3456 0.105E-01 0.270E-01 DAV: 4 -0.135113878403E+04 -0.60889E-04 -0.37483E-03 3296 0.937E-02 0.991E-02 DAV: 5 -0.135113878468E+04 -0.65226E-06 -0.64950E-04 3680 0.438E-02 0.444E-02 DAV: 6 -0.135113880456E+04 -0.19877E-04 -0.18778E-04 3232 0.181E-02 0.222E-02 DAV: 7 -0.135113880607E+04 -0.15074E-05 -0.11746E-05 2496 0.724E-03 191 F= -.13718649E+04 E0= -.13718649E+04 d E =-.907007E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135113885713E+04 -0.52566E-04 -0.81424E-01 2816 0.115E+00 0.223E-01 DAV: 2 -0.135114049643E+04 -0.16393E-02 -0.16983E-02 3264 0.164E-01 0.122E-01 DAV: 3 -0.135114046588E+04 0.30548E-04 -0.33430E-04 3488 0.278E-02 0.755E-02 DAV: 4 -0.135114048273E+04 -0.16849E-04 -0.28497E-04 3232 0.264E-02 0.266E-02 DAV: 5 -0.135114048547E+04 -0.27417E-05 -0.47801E-05 3328 0.121E-02 192 F= -.13718672E+04 E0= -.13718672E+04 d E =-.223900E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135112970229E+04 0.10780E-01 -0.73104E+00 2816 0.345E+00 0.671E-01 DAV: 2 -0.135114446800E+04 -0.14766E-01 -0.15283E-01 3264 0.490E-01 0.365E-01 DAV: 3 -0.135114416638E+04 0.30162E-03 -0.29908E-03 3520 0.837E-02 0.227E-01 DAV: 4 -0.135114425429E+04 -0.87913E-04 -0.25954E-03 3296 0.787E-02 0.810E-02 DAV: 5 -0.135114424594E+04 0.83466E-05 -0.46631E-04 3712 0.368E-02 0.368E-02 DAV: 6 -0.135114425879E+04 -0.12847E-04 -0.13744E-04 3264 0.153E-02 0.176E-02 DAV: 7 -0.135114426049E+04 -0.17003E-05 -0.68484E-06 2240 0.591E-03 193 F= -.13718723E+04 E0= -.13718723E+04 d E =-.741075E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135108648031E+04 0.57778E-01 -0.29234E+01 2816 0.689E+00 0.134E+00 DAV: 2 -0.135114577360E+04 -0.59293E-01 -0.61433E-01 3264 0.982E-01 0.732E-01 DAV: 3 -0.135114451543E+04 0.12582E-02 -0.12274E-02 3520 0.168E-01 0.456E-01 DAV: 4 -0.135114474865E+04 -0.23322E-03 -0.10099E-02 3328 0.156E-01 0.163E-01 DAV: 5 -0.135114473774E+04 0.10904E-04 -0.18286E-03 3680 0.724E-02 0.728E-02 DAV: 6 -0.135114478655E+04 -0.48807E-04 -0.52735E-04 3328 0.298E-02 0.353E-02 DAV: 7 -0.135114479018E+04 -0.36308E-05 -0.40589E-05 3264 0.120E-02 194 F= -.13718745E+04 E0= -.13718745E+04 d E =-.957044E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135113833390E+04 0.64527E-02 -0.38561E+00 2816 0.250E+00 0.485E-01 DAV: 2 -0.135114606491E+04 -0.77310E-02 -0.79836E-02 3264 0.354E-01 0.266E-01 DAV: 3 -0.135114591888E+04 0.14603E-03 -0.16069E-03 3488 0.611E-02 0.163E-01 DAV: 4 -0.135114598429E+04 -0.65409E-04 -0.13098E-03 3328 0.559E-02 0.580E-02 DAV: 5 -0.135114598679E+04 -0.25015E-05 -0.23372E-04 3680 0.260E-02 0.259E-02 DAV: 6 -0.135114599615E+04 -0.93625E-05 -0.64806E-05 3264 0.105E-02 195 F= -.13718753E+04 E0= -.13718753E+04 d E =-.103498E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.135114599090E+04 -0.41074E-05 -0.14706E+00 2816 0.154E+00 0.281E-01 DAV: 2 -0.135114891137E+04 -0.29205E-02 -0.30206E-02 3296 0.217E-01 0.159E-01 DAV: 3 -0.135114885546E+04 0.55916E-04 -0.57435E-04 3456 0.368E-02 0.994E-02 DAV: 4 -0.135114887787E+04 -0.22413E-04 -0.51023E-04 3296 0.348E-02 0.373E-02 DAV: 5 -0.135114887880E+04 -0.92955E-06 -0.88333E-05 3712 0.162E-02 196 F= -.13718785E+04 E0= -.13718785E+04 d E =-.318529E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135113004381E+04 0.18834E-01 -0.13246E+01 2816 0.462E+00 0.851E-01 DAV: 2 -0.135115682350E+04 -0.26780E-01 -0.27465E-01 3296 0.654E-01 0.475E-01 DAV: 3 -0.135115639105E+04 0.43245E-03 -0.51558E-03 3456 0.110E-01 0.297E-01 DAV: 4 -0.135115659108E+04 -0.20002E-03 -0.45147E-03 3296 0.103E-01 0.112E-01 DAV: 5 -0.135115659104E+04 0.33309E-07 -0.81762E-04 3744 0.487E-02 0.468E-02 DAV: 6 -0.135115661629E+04 -0.25246E-04 -0.21268E-04 3232 0.189E-02 0.222E-02 DAV: 7 -0.135115661456E+04 0.17259E-05 -0.13252E-05 2624 0.745E-03 197 F= -.13718867E+04 E0= -.13718867E+04 d E =-.114335E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.135105536960E+04 0.10125E+00 -0.52861E+01 2816 0.923E+00 0.170E+00 DAV: 2 -0.135116311885E+04 -0.10775E+00 -0.11073E+00 3296 0.132E+00 0.951E-01 DAV: 3 -0.135116121687E+04 0.19020E-02 -0.21409E-02 3488 0.223E-01 0.598E-01 DAV: 4 -0.135116179790E+04 -0.58104E-03 -0.17696E-02 3328 0.205E-01 0.226E-01 DAV: 5 -0.135116183417E+04 -0.36268E-04 -0.32219E-03 3744 0.965E-02 0.936E-02 DAV: 6 -0.135116193477E+04 -0.10060E-03 -0.83259E-04 3296 0.372E-02 0.447E-02 DAV: 7 -0.135116192679E+04 0.79789E-05 -0.67466E-05 3328 0.152E-02 198 F= -.13718915E+04 E0= -.13718915E+04 d E =-.162260E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.135114863189E+04 0.13303E-01 -0.69272E+00 2816 0.335E+00 0.611E-01 DAV: 2 -0.135116256974E+04 -0.13938E-01 -0.14302E-01 3264 0.473E-01 0.345E-01 DAV: 3 -0.135116232932E+04 0.24043E-03 -0.27751E-03 3456 0.810E-02 0.214E-01 DAV: 4 -0.135116244878E+04 -0.11947E-03 -0.23454E-03 3296 0.744E-02 0.803E-02 DAV: 5 -0.135116245403E+04 -0.52459E-05 -0.41991E-04 3744 0.349E-02 0.334E-02 DAV: 6 -0.135116247014E+04 -0.16115E-04 -0.10682E-04 3232 0.134E-02 0.158E-02 DAV: 7 -0.135116246932E+04 0.82739E-06 -0.49699E-06 2240 0.512E-03 199 F= -.13718925E+04 E0= -.13718925E+04 d E =-.171791E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.135116241644E+04 0.53707E-04 -0.74503E+00 2816 0.344E+00 0.674E-01 DAV: 2 -0.135117739271E+04 -0.14976E-01 -0.15474E-01 3296 0.489E-01 0.367E-01 DAV: 3 -0.135117710659E+04 0.28612E-03 -0.29791E-03 3456 0.845E-02 0.223E-01 DAV: 4 -0.135117722317E+04 -0.11659E-03 -0.25566E-03 3296 0.762E-02 0.839E-02 DAV: 5 -0.135117721986E+04 0.33156E-05 -0.45902E-04 3776 0.365E-02 0.343E-02 DAV: 6 -0.135117723461E+04 -0.14750E-04 -0.10924E-04 3200 0.134E-02 0.169E-02 DAV: 7 -0.135117723333E+04 0.12728E-05 -0.52457E-06 2240 0.531E-03 200 F= -.13719068E+04 E0= -.13719068E+04 d E =-.143510E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.135106791050E+04 0.10932E+00 -0.66848E+01 2816 0.103E+01 0.203E+00 DAV: 2 -0.135120383035E+04 -0.13592E+00 -0.14020E+00 3232 0.147E+00 0.110E+00 DAV: 3 -0.135120124404E+04 0.25863E-02 -0.27236E-02 3520 0.254E-01 0.670E-01 DAV: 4 -0.135120206686E+04 -0.82282E-03 -0.23073E-02 3264 0.229E-01 0.253E-01 DAV: 5 -0.135120204864E+04 0.18227E-04 -0.41229E-03 3776 0.109E-01 0.105E-01 DAV: 6 -0.135120218544E+04 -0.13680E-03 -0.10417E-03 3360 0.414E-02 0.511E-02 DAV: 7 -0.135120217907E+04 0.63728E-05 -0.82978E-05 3328 0.167E-02 201 F= -.13719285E+04 E0= -.13719285E+04 d E =-.360432E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.135120604348E+04 -0.38580E-02 -0.97376E+00 2816 0.391E+00 0.999E-01 DAV: 2 -0.135122620604E+04 -0.20163E-01 -0.20861E-01 3264 0.557E-01 0.458E-01 DAV: 3 -0.135122561704E+04 0.58900E-03 -0.44294E-03 3520 0.104E-01 0.252E-01 DAV: 4 -0.135122572449E+04 -0.10745E-03 -0.31342E-03 3296 0.845E-02 0.919E-02 DAV: 5 -0.135122572179E+04 0.27009E-05 -0.56992E-04 3744 0.402E-02 0.405E-02 DAV: 6 -0.135122573791E+04 -0.16117E-04 -0.12829E-04 3232 0.145E-02 0.209E-02 DAV: 7 -0.135122574216E+04 -0.42491E-05 -0.54973E-06 2272 0.632E-03 202 F= -.13719511E+04 E0= -.13719511E+04 d E =-.226278E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.135121130815E+04 0.14430E-01 -0.12951E+01 2816 0.449E+00 0.115E+00 DAV: 2 -0.135123790015E+04 -0.26592E-01 -0.27584E-01 3264 0.641E-01 0.525E-01 DAV: 3 -0.135123708829E+04 0.81186E-03 -0.57256E-03 3520 0.118E-01 0.289E-01 DAV: 4 -0.135123717949E+04 -0.91193E-04 -0.41870E-03 3328 0.978E-02 0.105E-01 DAV: 5 -0.135123717300E+04 0.64857E-05 -0.75002E-04 3712 0.461E-02 0.471E-02 DAV: 6 -0.135123719798E+04 -0.24975E-04 -0.18227E-04 3232 0.173E-02 0.239E-02 DAV: 7 -0.135123720899E+04 -0.11018E-04 -0.92422E-06 2400 0.762E-03 0.129E-02 DAV: 8 -0.135123723187E+04 -0.22873E-04 -0.14225E-05 2688 0.697E-03 0.487E-03 DAV: 9 -0.135123724810E+04 -0.16232E-04 -0.12254E-06 2240 0.352E-03 0.255E-03 DAV: 10 -0.135123726194E+04 -0.13841E-04 0.11870E-06 2240 0.187E-03 0.186E-03 DAV: 11 -0.135123728151E+04 -0.19571E-04 0.12466E-06 2240 0.207E-03 0.118E-03 DAV: 12 -0.135123729525E+04 -0.13742E-04 0.12781E-06 2240 0.170E-03 0.834E-04 DAV: 13 -0.135123730457E+04 -0.93225E-05 0.18508E-06 2240 0.111E-03 203 F= -.13719608E+04 E0= -.13719608E+04 d E =-.322638E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.135124222804E+04 -0.49328E-02 -0.11148E+01 2816 0.413E+00 0.974E-01 DAV: 2 -0.135126471709E+04 -0.22489E-01 -0.23016E-01 3264 0.583E-01 0.465E-01 DAV: 3 -0.135126422163E+04 0.49546E-03 -0.45275E-03 3456 0.105E-01 0.264E-01 DAV: 4 -0.135126440235E+04 -0.18072E-03 -0.36893E-03 3264 0.911E-02 0.975E-02 DAV: 5 -0.135126438788E+04 0.14463E-04 -0.65666E-04 3744 0.435E-02 0.424E-02 DAV: 6 -0.135126440450E+04 -0.16620E-04 -0.16694E-04 3232 0.165E-02 0.210E-02 DAV: 7 -0.135126440294E+04 0.15682E-05 -0.88120E-06 2432 0.708E-03 204 F= -.13719858E+04 E0= -.13719858E+04 d E =-.250663E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.135121730202E+04 0.47102E-01 -0.34751E+01 2816 0.728E+00 0.173E+00 DAV: 2 -0.135128800052E+04 -0.70699E-01 -0.72338E-01 3232 0.103E+00 0.822E-01 DAV: 3 -0.135128635108E+04 0.16494E-02 -0.14163E-02 3456 0.185E-01 0.467E-01 DAV: 4 -0.135128681559E+04 -0.46451E-03 -0.11509E-02 3264 0.162E-01 0.172E-01 DAV: 5 -0.135128677193E+04 0.43663E-04 -0.20534E-03 3680 0.773E-02 0.757E-02 DAV: 6 -0.135128682572E+04 -0.53792E-04 -0.56241E-04 3296 0.301E-02 0.376E-02 DAV: 7 -0.135128682370E+04 0.20164E-05 -0.41368E-05 3328 0.131E-02 205 F= -.13720033E+04 E0= -.13720033E+04 d E =-.425184E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.135127864080E+04 0.81849E-02 -0.15704E+01 2816 0.492E+00 0.111E+00 DAV: 2 -0.135131055043E+04 -0.31910E-01 -0.32388E-01 3232 0.701E-01 0.570E-01 DAV: 3 -0.135131005653E+04 0.49390E-03 -0.63915E-03 3488 0.124E-01 0.327E-01 DAV: 4 -0.135131042057E+04 -0.36404E-03 -0.50934E-03 3264 0.109E-01 0.116E-01 DAV: 5 -0.135131040941E+04 0.11158E-04 -0.93163E-04 3648 0.529E-02 0.505E-02 DAV: 6 -0.135131044362E+04 -0.34212E-04 -0.24678E-04 3328 0.202E-02 0.249E-02 DAV: 7 -0.135131044498E+04 -0.13633E-05 -0.14435E-05 2496 0.845E-03 206 F= -.13720234E+04 E0= -.13720234E+04 d E =-.201479E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.135130837060E+04 0.20730E-02 -0.28472E+00 2816 0.210E+00 0.474E-01 DAV: 2 -0.135131415445E+04 -0.57838E-02 -0.58935E-02 3200 0.299E-01 0.241E-01 DAV: 3 -0.135131404774E+04 0.10670E-03 -0.11959E-03 3456 0.539E-02 0.138E-01 DAV: 4 -0.135131410911E+04 -0.61366E-04 -0.91498E-04 3296 0.462E-02 0.495E-02 DAV: 5 -0.135131410975E+04 -0.64059E-06 -0.16710E-04 3680 0.226E-02 0.214E-02 DAV: 6 -0.135131411849E+04 -0.87370E-05 -0.41475E-05 3264 0.866E-03 207 F= -.13720256E+04 E0= -.13720256E+04 d E =-.223233E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.135132478409E+04 -0.10674E-01 -0.17480E+00 2816 0.163E+00 0.446E-01 DAV: 2 -0.135132830575E+04 -0.35217E-02 -0.38187E-02 3296 0.239E-01 0.205E-01 DAV: 3 -0.135132818081E+04 0.12494E-03 -0.11872E-03 3488 0.522E-02 0.115E-01 DAV: 4 -0.135132819472E+04 -0.13909E-04 -0.52451E-04 3296 0.343E-02 0.439E-02 DAV: 5 -0.135132820277E+04 -0.80484E-05 -0.93080E-05 3648 0.171E-02 208 F= -.13720391E+04 E0= -.13720391E+04 d E =-.134650E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.135132961039E+04 -0.14157E-02 -0.35362E+00 2816 0.231E+00 0.638E-01 DAV: 2 -0.135133673356E+04 -0.71232E-02 -0.77066E-02 3328 0.338E-01 0.291E-01 DAV: 3 -0.135133648404E+04 0.24952E-03 -0.23002E-03 3488 0.728E-02 0.164E-01 DAV: 4 -0.135133650640E+04 -0.22366E-04 -0.10833E-03 3296 0.493E-02 0.620E-02 DAV: 5 -0.135133651605E+04 -0.96517E-05 -0.19193E-04 3648 0.247E-02 0.246E-02 DAV: 6 -0.135133652394E+04 -0.78874E-05 -0.43627E-05 3232 0.930E-03 209 F= -.13720466E+04 E0= -.13720466E+04 d E =-.209469E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.135134624338E+04 -0.97273E-02 -0.24975E+00 2816 0.196E+00 0.685E-01 DAV: 2 -0.135135162689E+04 -0.53835E-02 -0.57145E-02 3200 0.294E-01 0.251E-01 DAV: 3 -0.135135138453E+04 0.24237E-03 -0.14212E-03 3456 0.574E-02 0.132E-01 DAV: 4 -0.135135135820E+04 0.26329E-04 -0.86220E-04 3296 0.449E-02 0.452E-02 DAV: 5 -0.135135135491E+04 0.32902E-05 -0.14880E-04 3520 0.208E-02 0.254E-02 DAV: 6 -0.135135135480E+04 0.10888E-06 -0.41079E-05 3200 0.904E-03 210 F= -.13720610E+04 E0= -.13720610E+04 d E =-.144808E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.135135160419E+04 -0.24928E-03 -0.28841E+00 2816 0.210E+00 0.738E-01 DAV: 2 -0.135135781357E+04 -0.62094E-02 -0.66300E-02 3264 0.316E-01 0.270E-01 DAV: 3 -0.135135749885E+04 0.31472E-03 -0.16558E-03 3456 0.622E-02 0.142E-01 DAV: 4 -0.135135743723E+04 0.61618E-04 -0.99516E-04 3296 0.488E-02 0.488E-02 DAV: 5 -0.135135743050E+04 0.67270E-05 -0.17837E-04 3552 0.229E-02 0.278E-02 DAV: 6 -0.135135743134E+04 -0.83460E-06 -0.48220E-05 3264 0.994E-03 211 F= -.13720668E+04 E0= -.13720668E+04 d E =-.202155E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.135136506154E+04 -0.76310E-02 -0.18846E+00 2816 0.168E+00 0.512E-01 DAV: 2 -0.135136918656E+04 -0.41250E-02 -0.43437E-02 3200 0.256E-01 0.237E-01 DAV: 3 -0.135136905613E+04 0.13042E-03 -0.11841E-03 3456 0.515E-02 0.125E-01 DAV: 4 -0.135136907342E+04 -0.17286E-04 -0.56925E-04 3264 0.346E-02 0.431E-02 DAV: 5 -0.135136907996E+04 -0.65368E-05 -0.10804E-04 3584 0.186E-02 0.186E-02 DAV: 6 -0.135136908803E+04 -0.80695E-05 -0.18593E-05 2912 0.637E-03 212 F= -.13720787E+04 E0= -.13720787E+04 d E =-.118739E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.135136892653E+04 0.15342E-03 -0.25834E+00 2816 0.197E+00 0.599E-01 DAV: 2 -0.135137460495E+04 -0.56784E-02 -0.60170E-02 3232 0.301E-01 0.276E-01 DAV: 3 -0.135137438790E+04 0.21706E-03 -0.16836E-03 3456 0.612E-02 0.146E-01 DAV: 4 -0.135137438372E+04 0.41732E-05 -0.78052E-04 3328 0.405E-02 0.510E-02 DAV: 5 -0.135137438518E+04 -0.14598E-05 -0.14886E-04 3616 0.218E-02 0.219E-02 DAV: 6 -0.135137439364E+04 -0.84527E-05 -0.27461E-05 3200 0.743E-03 213 F= -.13720842E+04 E0= -.13720842E+04 d E =-.174614E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.135138316909E+04 -0.87839E-02 -0.25361E+00 2816 0.195E+00 0.557E-01 DAV: 2 -0.135138870771E+04 -0.55386E-02 -0.59141E-02 3264 0.296E-01 0.234E-01 DAV: 3 -0.135138852385E+04 0.18386E-03 -0.13465E-03 3456 0.543E-02 0.138E-01 DAV: 4 -0.135138851087E+04 0.12983E-04 -0.98774E-04 3264 0.452E-02 0.483E-02 DAV: 5 -0.135138851379E+04 -0.29174E-05 -0.15422E-04 3552 0.210E-02 0.245E-02 DAV: 6 -0.135138852118E+04 -0.73963E-05 -0.52207E-05 3264 0.995E-03 214 F= -.13720992E+04 E0= -.13720992E+04 d E =-.149540E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.135138414239E+04 0.43714E-02 -0.74192E+00 2816 0.334E+00 0.957E-01 DAV: 2 -0.135140035308E+04 -0.16211E-01 -0.17317E-01 3264 0.505E-01 0.402E-01 DAV: 3 -0.135139976931E+04 0.58376E-03 -0.39052E-03 3488 0.927E-02 0.237E-01 DAV: 4 -0.135139968489E+04 0.84427E-04 -0.29384E-03 3328 0.780E-02 0.824E-02 DAV: 5 -0.135139967940E+04 0.54824E-05 -0.46399E-04 3552 0.364E-02 0.426E-02 DAV: 6 -0.135139969001E+04 -0.10607E-04 -0.16332E-04 3296 0.174E-02 0.211E-02 DAV: 7 -0.135139969510E+04 -0.50847E-05 -0.10183E-05 2592 0.675E-03 215 F= -.13721118E+04 E0= -.13721118E+04 d E =-.275679E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.135140900794E+04 -0.93179E-02 -0.32294E+00 2816 0.217E+00 0.635E-01 DAV: 2 -0.135141608711E+04 -0.70792E-02 -0.77557E-02 3264 0.331E-01 0.257E-01 DAV: 3 -0.135141575083E+04 0.33628E-03 -0.17627E-03 3392 0.614E-02 0.149E-01 DAV: 4 -0.135141565359E+04 0.97230E-04 -0.11711E-03 3264 0.504E-02 0.502E-02 DAV: 5 -0.135141565647E+04 -0.28726E-05 -0.19634E-04 3520 0.229E-02 0.280E-02 DAV: 6 -0.135141565876E+04 -0.22945E-05 -0.62735E-05 3264 0.114E-02 216 F= -.13721289E+04 E0= -.13721289E+04 d E =-.170592E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.135140374974E+04 0.11907E-01 -0.11045E+01 2816 0.401E+00 0.118E+00 DAV: 2 -0.135142787768E+04 -0.24128E-01 -0.26425E-01 3264 0.611E-01 0.476E-01 DAV: 3 -0.135142669972E+04 0.11780E-02 -0.59138E-03 3424 0.113E-01 0.275E-01 DAV: 4 -0.135142632926E+04 0.37046E-03 -0.40513E-03 3296 0.940E-02 0.924E-02 DAV: 5 -0.135142632534E+04 0.39239E-05 -0.69227E-04 3488 0.428E-02 0.523E-02 DAV: 6 -0.135142632255E+04 0.27832E-05 -0.22538E-04 3328 0.214E-02 0.265E-02 DAV: 7 -0.135142632468E+04 -0.21301E-05 -0.15989E-05 2816 0.920E-03 217 F= -.13721416E+04 E0= -.13721416E+04 d E =-.297938E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.135143001603E+04 -0.36935E-02 -0.42386E+00 2816 0.248E+00 0.644E-01 DAV: 2 -0.135143964758E+04 -0.96315E-02 -0.10211E-01 3264 0.376E-01 0.296E-01 DAV: 3 -0.135143930799E+04 0.33959E-03 -0.21235E-03 3424 0.655E-02 0.179E-01 DAV: 4 -0.135143924607E+04 0.61924E-04 -0.17418E-03 3264 0.580E-02 0.629E-02 DAV: 5 -0.135143924915E+04 -0.30856E-05 -0.26396E-04 3584 0.268E-02 0.324E-02 DAV: 6 -0.135143926113E+04 -0.11977E-04 -0.92130E-05 3264 0.133E-02 0.151E-02 DAV: 7 -0.135143926618E+04 -0.50473E-05 -0.48479E-06 2304 0.478E-03 218 F= -.13721558E+04 E0= -.13721558E+04 d E =-.141892E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.135143042788E+04 0.88333E-02 -0.76375E+00 2816 0.333E+00 0.867E-01 DAV: 2 -0.135144780021E+04 -0.17372E-01 -0.18474E-01 3264 0.505E-01 0.399E-01 DAV: 3 -0.135144714318E+04 0.65703E-03 -0.38718E-03 3392 0.886E-02 0.242E-01 DAV: 4 -0.135144699669E+04 0.14649E-03 -0.32102E-03 3296 0.782E-02 0.855E-02 DAV: 5 -0.135144698705E+04 0.96428E-05 -0.47923E-04 3552 0.363E-02 0.441E-02 DAV: 6 -0.135144699796E+04 -0.10914E-04 -0.17871E-04 3296 0.184E-02 0.203E-02 DAV: 7 -0.135144700103E+04 -0.30763E-05 -0.11742E-05 2688 0.650E-03 219 F= -.13721653E+04 E0= -.13721653E+04 d E =-.236793E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.135144515967E+04 0.18383E-02 -0.84475E-01 2880 0.111E+00 0.290E-01 DAV: 2 -0.135144709881E+04 -0.19391E-02 -0.20619E-02 3168 0.169E-01 0.133E-01 DAV: 3 -0.135144702551E+04 0.73307E-04 -0.43740E-04 3392 0.298E-02 0.806E-02 DAV: 4 -0.135144701402E+04 0.11487E-04 -0.35628E-04 3168 0.262E-02 0.290E-02 DAV: 5 -0.135144701704E+04 -0.30229E-05 -0.52085E-05 3456 0.123E-02 220 F= -.13721659E+04 E0= -.13721659E+04 d E =-.243018E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.135144881060E+04 -0.17966E-02 -0.42710E+00 2816 0.256E+00 0.798E-01 DAV: 2 -0.135145890802E+04 -0.10097E-01 -0.10909E-01 3232 0.392E-01 0.318E-01 DAV: 3 -0.135145839391E+04 0.51411E-03 -0.24176E-03 3392 0.729E-02 0.182E-01 DAV: 4 -0.135145825910E+04 0.13481E-03 -0.17803E-03 3264 0.619E-02 0.640E-02 DAV: 5 -0.135145825428E+04 0.48195E-05 -0.28833E-04 3584 0.282E-02 0.352E-02 DAV: 6 -0.135145825623E+04 -0.19511E-05 -0.95032E-05 3296 0.135E-02 221 F= -.13721782E+04 E0= -.13721782E+04 d E =-.122946E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.135145725423E+04 0.10001E-02 -0.84111E-01 2816 0.114E+00 0.358E-01 DAV: 2 -0.135145925461E+04 -0.20004E-02 -0.21619E-02 3200 0.174E-01 0.141E-01 DAV: 3 -0.135145915083E+04 0.10378E-03 -0.48113E-04 3392 0.325E-02 0.810E-02 DAV: 4 -0.135145912362E+04 0.27207E-04 -0.33832E-04 3232 0.276E-02 0.282E-02 DAV: 5 -0.135145912646E+04 -0.28414E-05 -0.56801E-05 3328 0.129E-02 222 F= -.13721795E+04 E0= -.13721795E+04 d E =-.136478E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.135146369803E+04 -0.45744E-02 -0.32550E+00 2816 0.225E+00 0.688E-01 DAV: 2 -0.135147128029E+04 -0.75823E-02 -0.83508E-02 3232 0.342E-01 0.268E-01 DAV: 3 -0.135147089328E+04 0.38701E-03 -0.18966E-03 3392 0.633E-02 0.158E-01 DAV: 4 -0.135147077291E+04 0.12037E-03 -0.14093E-03 3264 0.558E-02 0.549E-02 DAV: 5 -0.135147077201E+04 0.90107E-06 -0.22675E-04 3424 0.244E-02 0.319E-02 DAV: 6 -0.135147077310E+04 -0.10849E-05 -0.85522E-05 3328 0.128E-02 223 F= -.13721921E+04 E0= -.13721921E+04 d E =-.125498E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.135146596459E+04 0.48074E-02 -0.40770E+00 2816 0.252E+00 0.773E-01 DAV: 2 -0.135147542953E+04 -0.94649E-02 -0.10437E-01 3264 0.383E-01 0.299E-01 DAV: 3 -0.135147493817E+04 0.49136E-03 -0.23656E-03 3424 0.703E-02 0.176E-01 DAV: 4 -0.135147476827E+04 0.16990E-03 -0.17259E-03 3232 0.621E-02 0.607E-02 DAV: 5 -0.135147476597E+04 0.23012E-05 -0.28420E-04 3392 0.272E-02 0.359E-02 DAV: 6 -0.135147476547E+04 0.50063E-06 -0.10767E-04 3328 0.145E-02 0.179E-02 DAV: 7 -0.135147476791E+04 -0.24410E-05 -0.56722E-06 2368 0.593E-03 224 F= -.13721971E+04 E0= -.13721971E+04 d E =-.175939E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.135147855471E+04 -0.37892E-02 -0.31954E+00 2816 0.223E+00 0.669E-01 DAV: 2 -0.135148620497E+04 -0.76503E-02 -0.83293E-02 3232 0.340E-01 0.265E-01 DAV: 3 -0.135148581532E+04 0.38964E-03 -0.17758E-03 3392 0.608E-02 0.150E-01 DAV: 4 -0.135148569399E+04 0.12134E-03 -0.11871E-03 3328 0.499E-02 0.541E-02 DAV: 5 -0.135148569684E+04 -0.28493E-05 -0.18747E-04 3520 0.223E-02 0.288E-02 DAV: 6 -0.135148570053E+04 -0.36946E-05 -0.57307E-05 3168 0.108E-02 225 F= -.13722091E+04 E0= -.13722091E+04 d E =-.119260E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.135148162935E+04 0.40675E-02 -0.36897E+00 2816 0.240E+00 0.722E-01 DAV: 2 -0.135149046956E+04 -0.88402E-02 -0.96399E-02 3232 0.365E-01 0.285E-01 DAV: 3 -0.135149001338E+04 0.45618E-03 -0.20454E-03 3424 0.652E-02 0.161E-01 DAV: 4 -0.135148986417E+04 0.14922E-03 -0.13544E-03 3232 0.535E-02 0.580E-02 DAV: 5 -0.135148986739E+04 -0.32190E-05 -0.22060E-04 3520 0.242E-02 0.313E-02 DAV: 6 -0.135148987268E+04 -0.52938E-05 -0.66447E-05 3296 0.117E-02 226 F= -.13722143E+04 E0= -.13722143E+04 d E =-.171793E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.135149507344E+04 -0.52060E-02 -0.24951E+00 2816 0.199E+00 0.516E-01 DAV: 2 -0.135150104950E+04 -0.59761E-02 -0.65665E-02 3232 0.300E-01 0.222E-01 DAV: 3 -0.135150079357E+04 0.25593E-03 -0.14290E-03 3392 0.530E-02 0.135E-01 DAV: 4 -0.135150069839E+04 0.95181E-04 -0.98650E-04 3296 0.453E-02 0.520E-02 DAV: 5 -0.135150070045E+04 -0.20608E-05 -0.16241E-04 3552 0.204E-02 0.251E-02 DAV: 6 -0.135150070589E+04 -0.54400E-05 -0.46865E-05 3232 0.991E-03 227 F= -.13722258E+04 E0= -.13722258E+04 d E =-.114524E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.135149803579E+04 0.26647E-02 -0.40733E+00 2816 0.254E+00 0.661E-01 DAV: 2 -0.135150778460E+04 -0.97488E-02 -0.10726E-01 3264 0.384E-01 0.285E-01 DAV: 3 -0.135150734887E+04 0.43573E-03 -0.23467E-03 3392 0.681E-02 0.173E-01 DAV: 4 -0.135150717469E+04 0.17418E-03 -0.16149E-03 3296 0.582E-02 0.670E-02 DAV: 5 -0.135150717337E+04 0.13199E-05 -0.27418E-04 3584 0.263E-02 0.322E-02 DAV: 6 -0.135150717797E+04 -0.45978E-05 -0.76618E-05 3296 0.126E-02 228 F= -.13722330E+04 E0= -.13722330E+04 d E =-.187124E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.135151221128E+04 -0.50379E-02 -0.38916E+00 2816 0.250E+00 0.632E-01 DAV: 2 -0.135152138206E+04 -0.91708E-02 -0.10241E-01 3264 0.379E-01 0.272E-01 DAV: 3 -0.135152095126E+04 0.43081E-03 -0.23302E-03 3424 0.676E-02 0.167E-01 DAV: 4 -0.135152077380E+04 0.17745E-03 -0.16661E-03 3296 0.589E-02 0.665E-02 DAV: 5 -0.135152077278E+04 0.10164E-05 -0.25837E-04 3520 0.261E-02 0.324E-02 DAV: 6 -0.135152077796E+04 -0.51768E-05 -0.91862E-05 3200 0.136E-02 229 F= -.13722469E+04 E0= -.13722469E+04 d E =-.138524E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.135151872064E+04 0.20521E-02 -0.37593E+00 2816 0.245E+00 0.624E-01 DAV: 2 -0.135152758094E+04 -0.88603E-02 -0.98985E-02 3232 0.373E-01 0.267E-01 DAV: 3 -0.135152715978E+04 0.42117E-03 -0.22503E-03 3488 0.666E-02 0.164E-01 DAV: 4 -0.135152698121E+04 0.17856E-03 -0.16115E-03 3296 0.582E-02 0.652E-02 DAV: 5 -0.135152697793E+04 0.32798E-05 -0.25338E-04 3520 0.259E-02 0.321E-02 DAV: 6 -0.135152698092E+04 -0.29898E-05 -0.90393E-05 3232 0.136E-02 230 F= -.13722533E+04 E0= -.13722533E+04 d E =-.202718E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.135152630791E+04 0.67002E-03 -0.52961E-01 2880 0.922E-01 0.238E-01 DAV: 2 -0.135152756409E+04 -0.12562E-02 -0.14010E-02 3168 0.140E-01 0.992E-02 DAV: 3 -0.135152750789E+04 0.56205E-04 -0.31371E-04 3488 0.250E-02 0.609E-02 DAV: 4 -0.135152748731E+04 0.20575E-04 -0.22206E-04 3232 0.219E-02 0.243E-02 DAV: 5 -0.135152748935E+04 -0.20385E-05 -0.33792E-05 3232 0.999E-03 231 F= -.13722539E+04 E0= -.13722539E+04 d E =-.208512E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.135152918841E+04 -0.17011E-02 -0.27356E+00 2816 0.208E+00 0.467E-01 DAV: 2 -0.135153565485E+04 -0.64664E-02 -0.71033E-02 3200 0.312E-01 0.219E-01 DAV: 3 -0.135153538795E+04 0.26690E-03 -0.14812E-03 3456 0.534E-02 0.140E-01 DAV: 4 -0.135153526934E+04 0.11861E-03 -0.11892E-03 3296 0.492E-02 0.575E-02 DAV: 5 -0.135153526913E+04 0.20463E-06 -0.19162E-04 3456 0.214E-02 0.273E-02 DAV: 6 -0.135153527271E+04 -0.35743E-05 -0.61506E-05 3200 0.109E-02 232 F= -.13722624E+04 E0= -.13722624E+04 d E =-.853346E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135152822093E+04 0.70482E-02 -0.62271E+00 2816 0.314E+00 0.707E-01 DAV: 2 -0.135154293697E+04 -0.14716E-01 -0.16155E-01 3264 0.471E-01 0.330E-01 DAV: 3 -0.135154232934E+04 0.60763E-03 -0.33664E-03 3456 0.801E-02 0.211E-01 DAV: 4 -0.135154204389E+04 0.28545E-03 -0.26503E-03 3296 0.736E-02 0.862E-02 DAV: 5 -0.135154204240E+04 0.14946E-05 -0.43510E-04 3488 0.320E-02 0.410E-02 DAV: 6 -0.135154204714E+04 -0.47426E-05 -0.14057E-04 3200 0.163E-02 0.175E-02 DAV: 7 -0.135154204899E+04 -0.18444E-05 -0.10981E-05 2560 0.576E-03 233 F= -.13722703E+04 E0= -.13722703E+04 d E =-.163712E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.135148254239E+04 0.59505E-01 -0.24864E+01 2816 0.628E+00 0.142E+00 DAV: 2 -0.135154144528E+04 -0.58903E-01 -0.64614E-01 3264 0.942E-01 0.665E-01 DAV: 3 -0.135153896243E+04 0.24828E-02 -0.13550E-02 3488 0.161E-01 0.425E-01 DAV: 4 -0.135153774675E+04 0.12157E-02 -0.10573E-02 3264 0.147E-01 0.175E-01 DAV: 5 -0.135153774097E+04 0.57774E-05 -0.17659E-03 3488 0.641E-02 0.829E-02 DAV: 6 -0.135153775289E+04 -0.11920E-04 -0.56452E-04 3232 0.327E-02 0.353E-02 DAV: 7 -0.135153775460E+04 -0.17092E-05 -0.55480E-05 3296 0.116E-02 234 F= -.13722678E+04 E0= -.13722678E+04 d E =-.138930E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.135152256757E+04 0.15185E-01 -0.93289E+00 2816 0.385E+00 0.859E-01 DAV: 2 -0.135154451854E+04 -0.21951E-01 -0.24110E-01 3232 0.577E-01 0.408E-01 DAV: 3 -0.135154363127E+04 0.88727E-03 -0.51149E-03 3456 0.984E-02 0.261E-01 DAV: 4 -0.135154321722E+04 0.41405E-03 -0.39722E-03 3296 0.902E-02 0.107E-01 DAV: 5 -0.135154322416E+04 -0.69398E-05 -0.64962E-04 3488 0.391E-02 0.500E-02 DAV: 6 -0.135154323392E+04 -0.97596E-05 -0.21022E-04 3296 0.198E-02 0.211E-02 DAV: 7 -0.135154323279E+04 0.11267E-05 -0.18220E-05 2752 0.682E-03 235 F= -.13722722E+04 E0= -.13722722E+04 d E =-.183100E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.135154574525E+04 -0.25113E-02 -0.34643E+00 2816 0.236E+00 0.614E-01 DAV: 2 -0.135155402084E+04 -0.82756E-02 -0.91734E-02 3264 0.359E-01 0.264E-01 DAV: 3 -0.135155363619E+04 0.38465E-03 -0.19716E-03 3424 0.624E-02 0.156E-01 DAV: 4 -0.135155348669E+04 0.14950E-03 -0.12467E-03 3264 0.507E-02 0.615E-02 DAV: 5 -0.135155348209E+04 0.45954E-05 -0.20326E-04 3648 0.228E-02 0.284E-02 DAV: 6 -0.135155348368E+04 -0.15843E-05 -0.51253E-05 3264 0.100E-02 236 F= -.13722833E+04 E0= -.13722833E+04 d E =-.110983E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.135154695049E+04 0.65316E-02 -0.49330E+00 2816 0.281E+00 0.737E-01 DAV: 2 -0.135155881685E+04 -0.11866E-01 -0.13131E-01 3264 0.429E-01 0.313E-01 DAV: 3 -0.135155826889E+04 0.54796E-03 -0.27889E-03 3456 0.742E-02 0.185E-01 DAV: 4 -0.135155804982E+04 0.21907E-03 -0.17662E-03 3264 0.603E-02 0.735E-02 DAV: 5 -0.135155804551E+04 0.43118E-05 -0.28924E-04 3616 0.273E-02 0.341E-02 DAV: 6 -0.135155805221E+04 -0.67058E-05 -0.76646E-05 3264 0.122E-02 237 F= -.13722888E+04 E0= -.13722888E+04 d E =-.166012E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.135155990162E+04 -0.18561E-02 -0.51335E+00 2816 0.288E+00 0.774E-01 DAV: 2 -0.135157190826E+04 -0.12007E-01 -0.13210E-01 3232 0.430E-01 0.299E-01 DAV: 3 -0.135157129570E+04 0.61256E-03 -0.28279E-03 3520 0.744E-02 0.178E-01 DAV: 4 -0.135157106512E+04 0.23058E-03 -0.21049E-03 3296 0.674E-02 0.673E-02 DAV: 5 -0.135157106932E+04 -0.42001E-05 -0.34864E-04 3392 0.284E-02 0.387E-02 DAV: 6 -0.135157107112E+04 -0.17966E-05 -0.13086E-04 3328 0.153E-02 0.182E-02 DAV: 7 -0.135157107426E+04 -0.31440E-05 -0.74305E-06 2560 0.533E-03 238 F= -.13723022E+04 E0= -.13723022E+04 d E =-.133655E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.135156737516E+04 0.36960E-02 -0.36464E+00 2816 0.243E+00 0.660E-01 DAV: 2 -0.135157591238E+04 -0.85372E-02 -0.94075E-02 3264 0.363E-01 0.258E-01 DAV: 3 -0.135157545965E+04 0.45273E-03 -0.20169E-03 3520 0.627E-02 0.154E-01 DAV: 4 -0.135157527481E+04 0.18484E-03 -0.15266E-03 3296 0.575E-02 0.585E-02 DAV: 5 -0.135157527695E+04 -0.21423E-05 -0.25540E-04 3360 0.243E-02 0.333E-02 DAV: 6 -0.135157527776E+04 -0.80977E-06 -0.97027E-05 3168 0.133E-02 239 F= -.13723066E+04 E0= -.13723066E+04 d E =-.177983E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.135157647088E+04 -0.11939E-02 -0.28969E+00 2816 0.215E+00 0.577E-01 DAV: 2 -0.135158315867E+04 -0.66878E-02 -0.74331E-02 3200 0.325E-01 0.242E-01 DAV: 3 -0.135158277656E+04 0.38211E-03 -0.16644E-03 3488 0.591E-02 0.139E-01 DAV: 4 -0.135158263815E+04 0.13841E-03 -0.10136E-03 3232 0.472E-02 0.502E-02 DAV: 5 -0.135158263932E+04 -0.11668E-05 -0.17071E-04 3424 0.206E-02 0.261E-02 DAV: 6 -0.135158264115E+04 -0.18279E-05 -0.50101E-05 3200 0.997E-03 240 F= -.13723145E+04 E0= -.13723145E+04 d E =-.792077E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135158195172E+04 0.68760E-03 -0.83550E-01 2816 0.116E+00 0.312E-01 DAV: 2 -0.135158387612E+04 -0.19244E-02 -0.21468E-02 3232 0.175E-01 0.129E-01 DAV: 3 -0.135158376378E+04 0.11234E-03 -0.47938E-04 3552 0.317E-02 0.743E-02 DAV: 4 -0.135158372230E+04 0.41475E-04 -0.28771E-04 3232 0.254E-02 0.269E-02 DAV: 5 -0.135158372388E+04 -0.15760E-05 -0.48124E-05 3296 0.113E-02 241 F= -.13723159E+04 E0= -.13723159E+04 d E =-.929064E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135158442936E+04 -0.70705E-03 -0.32990E+00 2816 0.232E+00 0.562E-01 DAV: 2 -0.135159199294E+04 -0.75636E-02 -0.82297E-02 3168 0.343E-01 0.232E-01 DAV: 3 -0.135159167228E+04 0.32065E-03 -0.16159E-03 3456 0.568E-02 0.138E-01 DAV: 4 -0.135159155850E+04 0.11378E-03 -0.11499E-03 3328 0.515E-02 0.513E-02 DAV: 5 -0.135159156163E+04 -0.31316E-05 -0.19143E-04 3360 0.215E-02 0.284E-02 DAV: 6 -0.135159156464E+04 -0.30012E-05 -0.71790E-05 3232 0.115E-02 242 F= -.13723244E+04 E0= -.13723244E+04 d E =-.853800E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135158703972E+04 0.45219E-02 -0.38591E+00 2816 0.251E+00 0.611E-01 DAV: 2 -0.135159588610E+04 -0.88464E-02 -0.96222E-02 3200 0.372E-01 0.251E-01 DAV: 3 -0.135159550859E+04 0.37751E-03 -0.18928E-03 3488 0.612E-02 0.150E-01 DAV: 4 -0.135159536633E+04 0.14227E-03 -0.13159E-03 3296 0.554E-02 0.548E-02 DAV: 5 -0.135159536994E+04 -0.36070E-05 -0.22337E-04 3360 0.232E-02 0.305E-02 DAV: 6 -0.135159537225E+04 -0.23184E-05 -0.81842E-05 3200 0.123E-02 243 F= -.13723290E+04 E0= -.13723290E+04 d E =-.130748E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.135159652063E+04 -0.11507E-02 -0.35440E+00 2816 0.240E+00 0.548E-01 DAV: 2 -0.135160444232E+04 -0.79217E-02 -0.87834E-02 3232 0.357E-01 0.238E-01 DAV: 3 -0.135160406218E+04 0.38014E-03 -0.19144E-03 3520 0.618E-02 0.145E-01 DAV: 4 -0.135160390689E+04 0.15529E-03 -0.12165E-03 3328 0.534E-02 0.534E-02 DAV: 5 -0.135160391191E+04 -0.50197E-05 -0.21306E-04 3392 0.231E-02 0.280E-02 DAV: 6 -0.135160391485E+04 -0.29405E-05 -0.71665E-05 3232 0.118E-02 244 F= -.13723386E+04 E0= -.13723386E+04 d E =-.963916E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135160165275E+04 0.22592E-02 -0.22818E+00 2816 0.193E+00 0.442E-01 DAV: 2 -0.135160675077E+04 -0.50980E-02 -0.56599E-02 3200 0.287E-01 0.191E-01 DAV: 3 -0.135160650313E+04 0.24764E-03 -0.12345E-03 3520 0.497E-02 0.116E-01 DAV: 4 -0.135160640138E+04 0.10175E-03 -0.78114E-04 3264 0.429E-02 0.428E-02 DAV: 5 -0.135160640489E+04 -0.35047E-05 -0.13748E-04 3360 0.187E-02 0.226E-02 DAV: 6 -0.135160640782E+04 -0.29338E-05 -0.46301E-05 3200 0.967E-03 245 F= -.13723420E+04 E0= -.13723420E+04 d E =-.129982E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.135160584452E+04 0.56037E-03 -0.25060E-01 2880 0.639E-01 0.148E-01 DAV: 2 -0.135160640767E+04 -0.56315E-03 -0.62433E-03 3136 0.952E-02 0.629E-02 DAV: 3 -0.135160638279E+04 0.24874E-04 -0.13251E-04 3520 0.164E-02 0.381E-02 DAV: 4 -0.135160637569E+04 0.71091E-05 -0.81178E-05 3264 0.141E-02 246 F= -.13723422E+04 E0= -.13723422E+04 d E =-.132503E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.135160500838E+04 0.13744E-02 -0.33148E+00 2816 0.231E+00 0.453E-01 DAV: 2 -0.135161226220E+04 -0.72538E-02 -0.80401E-02 3200 0.341E-01 0.223E-01 DAV: 3 -0.135161196062E+04 0.30159E-03 -0.16483E-03 3520 0.565E-02 0.143E-01 DAV: 4 -0.135161182175E+04 0.13887E-03 -0.12421E-03 3264 0.539E-02 0.546E-02 DAV: 5 -0.135161182635E+04 -0.46025E-05 -0.21304E-04 3360 0.229E-02 0.285E-02 DAV: 6 -0.135161182853E+04 -0.21759E-05 -0.81193E-05 3200 0.125E-02 247 F= -.13723488E+04 E0= -.13723488E+04 d E =-.663065E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135160948820E+04 0.23382E-02 -0.23128E+00 2816 0.193E+00 0.380E-01 DAV: 2 -0.135161457875E+04 -0.50906E-02 -0.56207E-02 3200 0.284E-01 0.184E-01 DAV: 3 -0.135161437175E+04 0.20700E-03 -0.11294E-03 3520 0.465E-02 0.118E-01 DAV: 4 -0.135161427586E+04 0.95890E-04 -0.84166E-04 3328 0.444E-02 0.445E-02 DAV: 5 -0.135161427924E+04 -0.33808E-05 -0.14608E-04 3328 0.190E-02 0.235E-02 DAV: 6 -0.135161428080E+04 -0.15641E-05 -0.54449E-05 3104 0.104E-02 248 F= -.13723523E+04 E0= -.13723523E+04 d E =-.100548E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.135159441271E+04 0.19867E-01 -0.92397E+00 2816 0.385E+00 0.756E-01 DAV: 2 -0.135161477587E+04 -0.20363E-01 -0.22482E-01 3232 0.567E-01 0.371E-01 DAV: 3 -0.135161392138E+04 0.85449E-03 -0.45409E-03 3456 0.932E-02 0.238E-01 DAV: 4 -0.135161350074E+04 0.42064E-03 -0.34239E-03 3328 0.891E-02 0.899E-02 DAV: 5 -0.135161350765E+04 -0.69134E-05 -0.59053E-04 3296 0.378E-02 0.475E-02 DAV: 6 -0.135161351047E+04 -0.28143E-05 -0.23550E-04 3296 0.210E-02 0.209E-02 DAV: 7 -0.135161351007E+04 0.40155E-06 -0.17811E-05 2848 0.734E-03 249 F= -.13723534E+04 E0= -.13723534E+04 d E =-.111990E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.135160996330E+04 0.35472E-02 -0.40191E+00 2816 0.255E+00 0.492E-01 DAV: 2 -0.135161890286E+04 -0.89396E-02 -0.98138E-02 3200 0.376E-01 0.245E-01 DAV: 3 -0.135161857050E+04 0.33235E-03 -0.20087E-03 3488 0.620E-02 0.156E-01 DAV: 4 -0.135161841947E+04 0.15103E-03 -0.13575E-03 3328 0.559E-02 0.606E-02 DAV: 5 -0.135161842631E+04 -0.68396E-05 -0.22688E-04 3328 0.239E-02 0.299E-02 DAV: 6 -0.135161843183E+04 -0.55154E-05 -0.93244E-05 3168 0.132E-02 250 F= -.13723594E+04 E0= -.13723594E+04 d E =-.595591E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135161631859E+04 0.21077E-02 -0.15549E+00 2816 0.158E+00 0.309E-01 DAV: 2 -0.135161977300E+04 -0.34544E-02 -0.38004E-02 3232 0.234E-01 0.151E-01 DAV: 3 -0.135161965219E+04 0.12081E-03 -0.77277E-04 3488 0.385E-02 0.961E-02 DAV: 4 -0.135161960098E+04 0.51209E-04 -0.50781E-04 3264 0.344E-02 0.371E-02 DAV: 5 -0.135161960440E+04 -0.34211E-05 -0.84140E-05 3328 0.148E-02 251 F= -.13723612E+04 E0= -.13723612E+04 d E =-.776706E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135160467039E+04 0.14931E-01 -0.62017E+00 2816 0.317E+00 0.615E-01 DAV: 2 -0.135161846059E+04 -0.13790E-01 -0.15178E-01 3200 0.469E-01 0.304E-01 DAV: 3 -0.135161794730E+04 0.51330E-03 -0.31111E-03 3488 0.777E-02 0.194E-01 DAV: 4 -0.135161771419E+04 0.23311E-03 -0.21289E-03 3296 0.698E-02 0.756E-02 DAV: 5 -0.135161771863E+04 -0.44453E-05 -0.34860E-04 3328 0.298E-02 0.375E-02 DAV: 6 -0.135161772488E+04 -0.62483E-05 -0.14885E-04 3136 0.165E-02 0.161E-02 DAV: 7 -0.135161772523E+04 -0.34341E-06 -0.98551E-06 2464 0.570E-03 252 F= -.13723606E+04 E0= -.13723606E+04 d E =-.715611E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135161458854E+04 0.31363E-02 -0.23968E+00 2816 0.197E+00 0.378E-01 DAV: 2 -0.135161985179E+04 -0.52633E-02 -0.57900E-02 3232 0.290E-01 0.189E-01 DAV: 3 -0.135161965666E+04 0.19513E-03 -0.11879E-03 3456 0.478E-02 0.120E-01 DAV: 4 -0.135161957163E+04 0.85030E-04 -0.79159E-04 3168 0.428E-02 0.465E-02 DAV: 5 -0.135161957677E+04 -0.51429E-05 -0.13293E-04 3360 0.184E-02 0.229E-02 DAV: 6 -0.135161958020E+04 -0.34300E-05 -0.52086E-05 3200 0.993E-03 253 F= -.13723616E+04 E0= -.13723616E+04 d E =-.822377E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135162338144E+04 -0.38047E-02 -0.40090E-01 2816 0.846E-01 0.302E-01 DAV: 2 -0.135162425486E+04 -0.87342E-03 -0.10960E-02 3360 0.133E-01 0.113E-01 DAV: 3 -0.135162415523E+04 0.99631E-04 -0.34453E-04 3552 0.277E-02 0.608E-02 DAV: 4 -0.135162413275E+04 0.22481E-04 -0.18267E-04 3264 0.193E-02 0.219E-02 DAV: 5 -0.135162412954E+04 0.32060E-05 -0.29589E-05 3296 0.977E-03 254 F= -.13723663E+04 E0= -.13723663E+04 d E =-.465755E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135162488555E+04 -0.75280E-03 -0.65613E-01 2816 0.108E+00 0.390E-01 DAV: 2 -0.135162633014E+04 -0.14446E-02 -0.18080E-02 3424 0.171E-01 0.144E-01 DAV: 3 -0.135162616958E+04 0.16057E-03 -0.55837E-04 3488 0.353E-02 0.773E-02 DAV: 4 -0.135162613268E+04 0.36896E-04 -0.29312E-04 3328 0.245E-02 0.281E-02 DAV: 5 -0.135162612823E+04 0.44472E-05 -0.51579E-05 3424 0.127E-02 255 F= -.13723684E+04 E0= -.13723684E+04 d E =-.679082E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135162957231E+04 -0.34396E-02 -0.48121E-01 2816 0.928E-01 0.310E-01 DAV: 2 -0.135163058086E+04 -0.10086E-02 -0.12245E-02 3488 0.140E-01 0.972E-02 DAV: 3 -0.135163048412E+04 0.96740E-04 -0.33377E-04 3552 0.273E-02 0.549E-02 DAV: 4 -0.135163046669E+04 0.17427E-04 -0.24249E-04 3296 0.226E-02 0.211E-02 DAV: 5 -0.135163046592E+04 0.77263E-06 -0.35957E-05 3392 0.104E-02 256 F= -.13723727E+04 E0= -.13723727E+04 d E =-.425181E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135163092069E+04 -0.45399E-03 -0.12009E+00 2816 0.147E+00 0.489E-01 DAV: 2 -0.135163342215E+04 -0.25015E-02 -0.30526E-02 3488 0.222E-01 0.155E-01 DAV: 3 -0.135163316791E+04 0.25423E-03 -0.84447E-04 3584 0.436E-02 0.875E-02 DAV: 4 -0.135163310819E+04 0.59718E-04 -0.61559E-04 3232 0.365E-02 0.336E-02 DAV: 5 -0.135163310245E+04 0.57384E-05 -0.97905E-05 3520 0.167E-02 257 F= -.13723752E+04 E0= -.13723752E+04 d E =-.674555E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135163605102E+04 -0.29428E-02 -0.52605E-01 2944 0.965E-01 0.238E-01 DAV: 2 -0.135163722635E+04 -0.11753E-02 -0.13569E-02 3296 0.149E-01 0.109E-01 DAV: 3 -0.135163715072E+04 0.75626E-04 -0.35231E-04 3456 0.296E-02 0.633E-02 DAV: 4 -0.135163713387E+04 0.16855E-04 -0.20069E-04 3264 0.223E-02 0.245E-02 DAV: 5 -0.135163713451E+04 -0.63734E-06 -0.34510E-05 3392 0.107E-02 258 F= -.13723791E+04 E0= -.13723791E+04 d E =-.389369E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135163684015E+04 0.29372E-03 -0.14613E+00 2816 0.161E+00 0.395E-01 DAV: 2 -0.135164010291E+04 -0.32628E-02 -0.37593E-02 3328 0.248E-01 0.182E-01 DAV: 3 -0.135163988958E+04 0.21333E-03 -0.98354E-04 3456 0.488E-02 0.105E-01 DAV: 4 -0.135163983108E+04 0.58494E-04 -0.54662E-04 3232 0.366E-02 0.413E-02 DAV: 5 -0.135163982869E+04 0.23970E-05 -0.96921E-05 3648 0.175E-02 259 F= -.13723815E+04 E0= -.13723815E+04 d E =-.634702E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135164256222E+04 -0.27311E-02 -0.33117E-01 2816 0.769E-01 0.183E-01 DAV: 2 -0.135164330081E+04 -0.73859E-03 -0.83762E-03 3264 0.117E-01 0.745E-02 DAV: 3 -0.135164326272E+04 0.38094E-04 -0.20066E-04 3456 0.218E-02 0.456E-02 DAV: 4 -0.135164325522E+04 0.74991E-05 -0.13964E-04 3264 0.187E-02 0.195E-02 DAV: 5 -0.135164325663E+04 -0.14134E-05 -0.19592E-05 2848 0.846E-03 260 F= -.13723848E+04 E0= -.13723848E+04 d E =-.326594E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135164413808E+04 -0.88286E-03 -0.29878E+00 2816 0.231E+00 0.546E-01 DAV: 2 -0.135165078357E+04 -0.66455E-02 -0.75218E-02 3296 0.351E-01 0.225E-01 DAV: 3 -0.135165040370E+04 0.37987E-03 -0.18305E-03 3456 0.645E-02 0.138E-01 DAV: 4 -0.135165027445E+04 0.12925E-03 -0.12667E-03 3296 0.557E-02 0.583E-02 DAV: 5 -0.135165026643E+04 0.80109E-05 -0.20237E-04 3552 0.245E-02 0.280E-02 DAV: 6 -0.135165026796E+04 -0.15265E-05 -0.69452E-05 3168 0.116E-02 261 F= -.13723913E+04 E0= -.13723913E+04 d E =-.977078E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135162509613E+04 0.25170E-01 -0.11965E+01 2816 0.462E+00 0.109E+00 DAV: 2 -0.135165174036E+04 -0.26644E-01 -0.30116E-01 3296 0.701E-01 0.450E-01 DAV: 3 -0.135165022112E+04 0.15192E-02 -0.73522E-03 3488 0.128E-01 0.277E-01 DAV: 4 -0.135164965935E+04 0.56177E-03 -0.50052E-03 3296 0.111E-01 0.116E-01 DAV: 5 -0.135164962188E+04 0.37472E-04 -0.81968E-04 3552 0.490E-02 0.554E-02 DAV: 6 -0.135164962385E+04 -0.19722E-05 -0.28539E-04 3264 0.232E-02 0.243E-02 DAV: 7 -0.135164962461E+04 -0.76077E-06 -0.17118E-05 2560 0.888E-03 262 F= -.13723895E+04 E0= -.13723895E+04 d E =-.802423E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135164356824E+04 0.60556E-02 -0.42937E+00 2816 0.277E+00 0.651E-01 DAV: 2 -0.135165308362E+04 -0.95154E-02 -0.10738E-01 3296 0.420E-01 0.270E-01 DAV: 3 -0.135165256944E+04 0.51418E-03 -0.26367E-03 3456 0.769E-02 0.164E-01 DAV: 4 -0.135165240746E+04 0.16197E-03 -0.17973E-03 3232 0.662E-02 0.684E-02 DAV: 5 -0.135165240292E+04 0.45415E-05 -0.28471E-04 3552 0.288E-02 0.327E-02 DAV: 6 -0.135165240989E+04 -0.69648E-05 -0.99520E-05 3168 0.136E-02 263 F= -.13723930E+04 E0= -.13723930E+04 d E =-.114851E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.135165507664E+04 -0.26737E-02 -0.10834E+00 2816 0.139E+00 0.422E-01 DAV: 2 -0.135165758118E+04 -0.25045E-02 -0.29027E-02 3264 0.220E-01 0.171E-01 DAV: 3 -0.135165739256E+04 0.18862E-03 -0.81837E-04 3456 0.450E-02 0.908E-02 DAV: 4 -0.135165734376E+04 0.48801E-04 -0.44961E-04 3232 0.327E-02 0.370E-02 DAV: 5 -0.135165733568E+04 0.80757E-05 -0.74493E-05 3648 0.156E-02 264 F= -.13723974E+04 E0= -.13723974E+04 d E =-.440994E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135165294077E+04 0.44030E-02 -0.24736E+00 2816 0.211E+00 0.644E-01 DAV: 2 -0.135165870380E+04 -0.57630E-02 -0.66423E-02 3328 0.331E-01 0.254E-01 DAV: 3 -0.135165828048E+04 0.42332E-03 -0.18327E-03 3456 0.678E-02 0.137E-01 DAV: 4 -0.135165817426E+04 0.10622E-03 -0.10119E-03 3328 0.494E-02 0.560E-02 DAV: 5 -0.135165816042E+04 0.13846E-04 -0.18117E-04 3776 0.241E-02 0.257E-02 DAV: 6 -0.135165816368E+04 -0.32606E-05 -0.40613E-05 3168 0.927E-03 265 F= -.13723974E+04 E0= -.13723974E+04 d E =-.443452E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135165747441E+04 0.68601E-03 -0.59565E-01 2880 0.103E+00 0.312E-01 DAV: 2 -0.135165886430E+04 -0.13899E-02 -0.15955E-02 3328 0.163E-01 0.126E-01 DAV: 3 -0.135165877822E+04 0.86082E-04 -0.44528E-04 3456 0.330E-02 0.691E-02 DAV: 4 -0.135165877187E+04 0.63504E-05 -0.25192E-04 3296 0.242E-02 0.280E-02 DAV: 5 -0.135165877505E+04 -0.31822E-05 -0.39581E-05 3456 0.115E-02 266 F= -.13723984E+04 E0= -.13723984E+04 d E =-.544400E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135166196609E+04 -0.31942E-02 -0.70421E-01 2880 0.112E+00 0.262E-01 DAV: 2 -0.135166354459E+04 -0.15785E-02 -0.17848E-02 3232 0.171E-01 0.138E-01 DAV: 3 -0.135166346622E+04 0.78376E-04 -0.45664E-04 3456 0.317E-02 0.824E-02 DAV: 4 -0.135166344853E+04 0.17691E-04 -0.33212E-04 3264 0.282E-02 0.293E-02 DAV: 5 -0.135166344596E+04 0.25685E-05 -0.51571E-05 3456 0.126E-02 267 F= -.13724023E+04 E0= -.13724023E+04 d E =-.381687E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135166075544E+04 0.26931E-02 -0.39871E+00 2816 0.266E+00 0.632E-01 DAV: 2 -0.135166979931E+04 -0.90439E-02 -0.10172E-01 3328 0.408E-01 0.328E-01 DAV: 3 -0.135166934640E+04 0.45291E-03 -0.25579E-03 3424 0.761E-02 0.194E-01 DAV: 4 -0.135166924219E+04 0.10421E-03 -0.19177E-03 3296 0.671E-02 0.701E-02 DAV: 5 -0.135166922254E+04 0.19654E-04 -0.31457E-04 3648 0.305E-02 0.349E-02 DAV: 6 -0.135166922679E+04 -0.42546E-05 -0.98821E-05 3168 0.132E-02 268 F= -.13724060E+04 E0= -.13724060E+04 d E =-.753247E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135167156926E+04 -0.23467E-02 -0.71259E-01 2816 0.112E+00 0.308E-01 DAV: 2 -0.135167320951E+04 -0.16403E-02 -0.18426E-02 3232 0.172E-01 0.125E-01 DAV: 3 -0.135167312228E+04 0.87227E-04 -0.43175E-04 3456 0.310E-02 0.728E-02 DAV: 4 -0.135167310755E+04 0.14731E-04 -0.29156E-04 3232 0.264E-02 0.272E-02 DAV: 5 -0.135167310817E+04 -0.61213E-06 -0.45327E-05 3328 0.118E-02 269 F= -.13724094E+04 E0= -.13724094E+04 d E =-.339377E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135167157041E+04 0.15371E-02 -0.20341E+00 2816 0.189E+00 0.518E-01 DAV: 2 -0.135167623945E+04 -0.46690E-02 -0.52642E-02 3296 0.292E-01 0.214E-01 DAV: 3 -0.135167595798E+04 0.28147E-03 -0.12478E-03 3456 0.533E-02 0.124E-01 DAV: 4 -0.135167588671E+04 0.71271E-04 -0.87924E-04 3296 0.454E-02 0.473E-02 DAV: 5 -0.135167588010E+04 0.66116E-05 -0.14127E-04 3520 0.206E-02 0.233E-02 DAV: 6 -0.135167588358E+04 -0.34814E-05 -0.48512E-05 3168 0.949E-03 270 F= -.13724113E+04 E0= -.13724113E+04 d E =-.533208E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135167727968E+04 -0.13996E-02 -0.81716E-01 2816 0.120E+00 0.320E-01 DAV: 2 -0.135167911741E+04 -0.18377E-02 -0.20988E-02 3264 0.185E-01 0.168E-01 DAV: 3 -0.135167901481E+04 0.10259E-03 -0.52477E-04 3456 0.339E-02 0.992E-02 DAV: 4 -0.135167900053E+04 0.14286E-04 -0.36065E-04 3264 0.288E-02 0.308E-02 DAV: 5 -0.135167900131E+04 -0.77694E-06 -0.61748E-05 3456 0.136E-02 271 F= -.13724140E+04 E0= -.13724140E+04 d E =-.270792E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135167904387E+04 -0.43340E-04 -0.53329E-01 2880 0.966E-01 0.261E-01 DAV: 2 -0.135168024830E+04 -0.12044E-02 -0.13826E-02 3264 0.150E-01 0.136E-01 DAV: 3 -0.135168017777E+04 0.70531E-04 -0.33936E-04 3456 0.278E-02 0.801E-02 DAV: 4 -0.135168016651E+04 0.11258E-04 -0.24323E-04 3232 0.236E-02 0.255E-02 DAV: 5 -0.135168016579E+04 0.72258E-06 -0.41270E-05 3392 0.114E-02 272 F= -.13724148E+04 E0= -.13724148E+04 d E =-.353581E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135168256183E+04 -0.23953E-02 -0.34005E-01 2816 0.770E-01 0.197E-01 DAV: 2 -0.135168330320E+04 -0.74137E-03 -0.84111E-03 3232 0.116E-01 0.748E-02 DAV: 3 -0.135168325495E+04 0.48244E-04 -0.18974E-04 3424 0.212E-02 0.429E-02 DAV: 4 -0.135168324271E+04 0.12243E-04 -0.11063E-04 3232 0.165E-02 0.166E-02 DAV: 5 -0.135168324291E+04 -0.20322E-06 -0.16371E-05 2848 0.763E-03 273 F= -.13724173E+04 E0= -.13724173E+04 d E =-.241728E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135168382048E+04 -0.57778E-03 -0.13692E+00 2816 0.154E+00 0.394E-01 DAV: 2 -0.135168677892E+04 -0.29584E-02 -0.33632E-02 3232 0.232E-01 0.152E-01 DAV: 3 -0.135168657489E+04 0.20403E-03 -0.77435E-04 3456 0.424E-02 0.868E-02 DAV: 4 -0.135168650900E+04 0.65893E-04 -0.45543E-04 3232 0.333E-02 0.332E-02 DAV: 5 -0.135168650633E+04 0.26620E-05 -0.81428E-05 3456 0.154E-02 274 F= -.13724192E+04 E0= -.13724192E+04 d E =-.434604E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135168841874E+04 -0.19097E-02 -0.23453E-01 2880 0.635E-01 0.164E-01 DAV: 2 -0.135168892830E+04 -0.50955E-03 -0.57315E-03 3232 0.951E-02 0.679E-02 DAV: 3 -0.135168889721E+04 0.31089E-04 -0.11774E-04 3520 0.171E-02 0.397E-02 DAV: 4 -0.135168889229E+04 0.49130E-05 -0.96835E-05 3200 0.153E-02 275 F= -.13724209E+04 E0= -.13724209E+04 d E =-.173917E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135169044122E+04 -0.15440E-02 -0.31293E-01 2816 0.733E-01 0.190E-01 DAV: 2 -0.135169111279E+04 -0.67157E-03 -0.76753E-03 3264 0.110E-01 0.815E-02 DAV: 3 -0.135169106888E+04 0.43908E-04 -0.16824E-04 3488 0.204E-02 0.474E-02 DAV: 4 -0.135169105980E+04 0.90776E-05 -0.13759E-04 3264 0.182E-02 0.172E-02 DAV: 5 -0.135169105999E+04 -0.18437E-06 -0.21655E-05 3008 0.812E-03 276 F= -.13724224E+04 E0= -.13724224E+04 d E =-.315913E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135169101881E+04 0.40988E-04 -0.12461E+00 2816 0.146E+00 0.375E-01 DAV: 2 -0.135169371122E+04 -0.26924E-02 -0.30326E-02 3232 0.219E-01 0.158E-01 DAV: 3 -0.135169353656E+04 0.17466E-03 -0.64945E-04 3488 0.394E-02 0.920E-02 DAV: 4 -0.135169348579E+04 0.50774E-04 -0.52255E-04 3232 0.352E-02 0.328E-02 DAV: 5 -0.135169348404E+04 0.17508E-05 -0.92245E-05 3584 0.155E-02 277 F= -.13724233E+04 E0= -.13724233E+04 d E =-.407754E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135169514770E+04 -0.16619E-02 -0.43102E-01 2816 0.855E-01 0.221E-01 DAV: 2 -0.135169609743E+04 -0.94974E-03 -0.10818E-02 3136 0.130E-01 0.894E-02 DAV: 3 -0.135169603788E+04 0.59556E-04 -0.24059E-04 3424 0.246E-02 0.515E-02 DAV: 4 -0.135169602505E+04 0.12823E-04 -0.16625E-04 3264 0.203E-02 0.194E-02 DAV: 5 -0.135169602606E+04 -0.10036E-05 -0.27417E-05 3264 0.908E-03 278 F= -.13724249E+04 E0= -.13724249E+04 d E =-.167192E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135169657404E+04 -0.54899E-03 -0.46261E-01 2816 0.886E-01 0.229E-01 DAV: 2 -0.135169758934E+04 -0.10153E-02 -0.11557E-02 3168 0.134E-01 0.931E-02 DAV: 3 -0.135169752077E+04 0.68569E-04 -0.25522E-04 3424 0.254E-02 0.536E-02 DAV: 4 -0.135169750363E+04 0.17143E-04 -0.17511E-04 3264 0.210E-02 0.197E-02 DAV: 5 -0.135169750389E+04 -0.26610E-06 -0.29988E-05 3296 0.957E-03 279 F= -.13724255E+04 E0= -.13724255E+04 d E =-.224392E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135169899397E+04 -0.14903E-02 -0.23277E-01 2816 0.641E-01 0.208E-01 DAV: 2 -0.135169949999E+04 -0.50602E-03 -0.62140E-03 3264 0.991E-02 0.867E-02 DAV: 3 -0.135169945597E+04 0.44028E-04 -0.17795E-04 3488 0.206E-02 0.494E-02 DAV: 4 -0.135169944797E+04 0.79962E-05 -0.12272E-04 3232 0.163E-02 0.187E-02 DAV: 5 -0.135169944706E+04 0.90654E-06 -0.16924E-05 2912 0.810E-03 280 F= -.13724270E+04 E0= -.13724270E+04 d E =-.146361E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135169998300E+04 -0.53503E-03 -0.32321E-01 2816 0.755E-01 0.246E-01 DAV: 2 -0.135170068424E+04 -0.70124E-03 -0.86058E-03 3264 0.117E-01 0.103E-01 DAV: 3 -0.135170061994E+04 0.64300E-04 -0.24554E-04 3456 0.241E-02 0.583E-02 DAV: 4 -0.135170060526E+04 0.14680E-04 -0.17080E-04 3296 0.190E-02 0.219E-02 DAV: 5 -0.135170060282E+04 0.24416E-05 -0.25289E-05 3072 0.952E-03 281 F= -.13724276E+04 E0= -.13724276E+04 d E =-.205209E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135170204729E+04 -0.14420E-02 -0.22629E-01 2880 0.634E-01 0.192E-01 DAV: 2 -0.135170254868E+04 -0.50139E-03 -0.59594E-03 3264 0.974E-02 0.752E-02 DAV: 3 -0.135170251155E+04 0.37131E-04 -0.16231E-04 3520 0.196E-02 0.430E-02 DAV: 4 -0.135170250658E+04 0.49647E-05 -0.10833E-04 3264 0.149E-02 0.178E-02 DAV: 5 -0.135170250654E+04 0.42535E-07 -0.13688E-05 2624 0.733E-03 282 F= -.13724289E+04 E0= -.13724289E+04 d E =-.133695E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135170309222E+04 -0.58564E-03 -0.52683E-01 2816 0.967E-01 0.292E-01 DAV: 2 -0.135170424799E+04 -0.11558E-02 -0.13854E-02 3232 0.149E-01 0.116E-01 DAV: 3 -0.135170415573E+04 0.92259E-04 -0.38335E-04 3552 0.298E-02 0.658E-02 DAV: 4 -0.135170413501E+04 0.20721E-04 -0.25306E-04 3264 0.228E-02 0.273E-02 DAV: 5 -0.135170413216E+04 0.28426E-05 -0.37402E-05 3424 0.111E-02 283 F= -.13724297E+04 E0= -.13724297E+04 d E =-.209396E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135170607526E+04 -0.19403E-02 -0.34045E-01 2880 0.774E-01 0.213E-01 DAV: 2 -0.135170685196E+04 -0.77670E-03 -0.88007E-03 3168 0.119E-01 0.903E-02 DAV: 3 -0.135170680310E+04 0.48861E-04 -0.20017E-04 3456 0.222E-02 0.513E-02 DAV: 4 -0.135170679327E+04 0.98302E-05 -0.14281E-04 3200 0.182E-02 0.180E-02 DAV: 5 -0.135170679242E+04 0.84969E-06 -0.20277E-05 3008 0.844E-03 284 F= -.13724311E+04 E0= -.13724311E+04 d E =-.148467E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135170780022E+04 -0.10070E-02 -0.47635E-01 2816 0.916E-01 0.252E-01 DAV: 2 -0.135170888285E+04 -0.10826E-02 -0.12320E-02 3232 0.141E-01 0.108E-01 DAV: 3 -0.135170880894E+04 0.73912E-04 -0.28074E-04 3456 0.264E-02 0.609E-02 DAV: 4 -0.135170878985E+04 0.19090E-04 -0.20305E-04 3232 0.217E-02 0.215E-02 DAV: 5 -0.135170878805E+04 0.17946E-05 -0.31437E-05 3264 0.101E-02 285 F= -.13724317E+04 E0= -.13724317E+04 d E =-.208583E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135171094987E+04 -0.21600E-02 -0.24423E-01 2880 0.657E-01 0.160E-01 DAV: 2 -0.135171150133E+04 -0.55146E-03 -0.61134E-03 3168 0.987E-02 0.701E-02 DAV: 3 -0.135171147524E+04 0.26094E-04 -0.12968E-04 3520 0.177E-02 0.430E-02 DAV: 4 -0.135171147172E+04 0.35187E-05 -0.10419E-04 3232 0.157E-02 0.161E-02 DAV: 5 -0.135171147139E+04 0.32886E-06 -0.13041E-05 2496 0.716E-03 286 F= -.13724331E+04 E0= -.13724331E+04 d E =-.139072E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135171278731E+04 -0.13156E-02 -0.20447E+00 2816 0.190E+00 0.463E-01 DAV: 2 -0.135171735892E+04 -0.45716E-02 -0.50790E-02 3200 0.285E-01 0.203E-01 DAV: 3 -0.135171712332E+04 0.23560E-03 -0.11005E-03 3520 0.507E-02 0.124E-01 DAV: 4 -0.135171706181E+04 0.61504E-04 -0.87015E-04 3264 0.449E-02 0.458E-02 DAV: 5 -0.135171705539E+04 0.64265E-05 -0.14148E-04 3552 0.203E-02 0.241E-02 DAV: 6 -0.135171705745E+04 -0.20611E-05 -0.47515E-05 3104 0.975E-03 287 F= -.13724350E+04 E0= -.13724350E+04 d E =-.322652E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135171871365E+04 -0.16583E-02 -0.33405E-01 2816 0.773E-01 0.209E-01 DAV: 2 -0.135171946146E+04 -0.74781E-03 -0.85376E-03 3200 0.118E-01 0.984E-02 DAV: 3 -0.135171941420E+04 0.47256E-04 -0.20961E-04 3520 0.224E-02 0.577E-02 DAV: 4 -0.135171940384E+04 0.10361E-04 -0.13283E-04 3200 0.179E-02 0.190E-02 DAV: 5 -0.135171940453E+04 -0.69324E-06 -0.19164E-05 2816 0.830E-03 288 F= -.13724363E+04 E0= -.13724363E+04 d E =-.136378E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135172012992E+04 -0.72608E-03 -0.28991E-01 2816 0.720E-01 0.195E-01 DAV: 2 -0.135172078155E+04 -0.65163E-03 -0.74324E-03 3200 0.110E-01 0.926E-02 DAV: 3 -0.135172073798E+04 0.43568E-04 -0.17802E-04 3520 0.211E-02 0.538E-02 DAV: 4 -0.135172072888E+04 0.91082E-05 -0.12172E-04 3232 0.170E-02 0.180E-02 DAV: 5 -0.135172072895E+04 -0.72221E-07 -0.16746E-05 2624 0.803E-03 289 F= -.13724367E+04 E0= -.13724367E+04 d E =-.176783E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135172224782E+04 -0.15189E-02 -0.47788E-01 2816 0.919E-01 0.242E-01 DAV: 2 -0.135172332927E+04 -0.10814E-02 -0.12015E-02 3168 0.139E-01 0.113E-01 DAV: 3 -0.135172326882E+04 0.60447E-04 -0.25595E-04 3488 0.247E-02 0.692E-02 DAV: 4 -0.135172325712E+04 0.11700E-04 -0.21715E-04 3200 0.228E-02 0.222E-02 DAV: 5 -0.135172325652E+04 0.60457E-06 -0.37064E-05 3328 0.105E-02 290 F= -.13724381E+04 E0= -.13724381E+04 d E =-.133744E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135172381856E+04 -0.56143E-03 -0.55540E-01 2816 0.991E-01 0.262E-01 DAV: 2 -0.135172507665E+04 -0.12581E-02 -0.14009E-02 3168 0.150E-01 0.123E-01 DAV: 3 -0.135172500530E+04 0.71351E-04 -0.29990E-04 3488 0.268E-02 0.747E-02 DAV: 4 -0.135172498856E+04 0.16746E-04 -0.25206E-04 3200 0.246E-02 0.241E-02 DAV: 5 -0.135172498732E+04 0.12342E-05 -0.43408E-05 3328 0.113E-02 291 F= -.13724385E+04 E0= -.13724385E+04 d E =-.178034E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135172675936E+04 -0.17708E-02 -0.40939E-01 2816 0.850E-01 0.198E-01 DAV: 2 -0.135172768525E+04 -0.92589E-03 -0.10354E-02 3136 0.128E-01 0.892E-02 DAV: 3 -0.135172764165E+04 0.43593E-04 -0.22234E-04 3456 0.234E-02 0.520E-02 DAV: 4 -0.135172763608E+04 0.55787E-05 -0.15945E-04 3200 0.192E-02 0.209E-02 DAV: 5 -0.135172763576E+04 0.31626E-06 -0.23844E-05 3104 0.903E-03 292 F= -.13724398E+04 E0= -.13724398E+04 d E =-.128484E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135172850233E+04 -0.86625E-03 -0.82612E-01 2816 0.121E+00 0.281E-01 DAV: 2 -0.135173035695E+04 -0.18546E-02 -0.20760E-02 3136 0.181E-01 0.128E-01 DAV: 3 -0.135173026469E+04 0.92258E-04 -0.44777E-04 3456 0.329E-02 0.746E-02 DAV: 4 -0.135173024651E+04 0.18185E-04 -0.32291E-04 3200 0.273E-02 0.295E-02 DAV: 5 -0.135173024447E+04 0.20378E-05 -0.53515E-05 3552 0.128E-02 293 F= -.13724405E+04 E0= -.13724405E+04 d E =-.195100E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135173182096E+04 -0.15745E-02 -0.67704E-01 2816 0.110E+00 0.309E-01 DAV: 2 -0.135173332443E+04 -0.15035E-02 -0.17178E-02 3232 0.165E-01 0.132E-01 DAV: 3 -0.135173322378E+04 0.10065E-03 -0.41082E-04 3584 0.316E-02 0.761E-02 DAV: 4 -0.135173320720E+04 0.16581E-04 -0.31781E-04 3360 0.269E-02 0.283E-02 DAV: 5 -0.135173320406E+04 0.31324E-05 -0.53009E-05 3488 0.125E-02 294 F= -.13724419E+04 E0= -.13724419E+04 d E =-.138483E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135173380686E+04 -0.59966E-03 -0.16962E-01 2944 0.550E-01 0.157E-01 DAV: 2 -0.135173418647E+04 -0.37961E-03 -0.43323E-03 3232 0.827E-02 0.665E-02 DAV: 3 -0.135173416138E+04 0.25089E-04 -0.10056E-04 3520 0.161E-02 0.384E-02 DAV: 4 -0.135173415815E+04 0.32317E-05 -0.81521E-05 3264 0.139E-02 295 F= -.13724420E+04 E0= -.13724420E+04 d E =-.154922E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135173394549E+04 0.21590E-03 -0.92816E-03 3264 0.129E-01 0.322E-02 DAV: 2 -0.135173396639E+04 -0.20901E-04 -0.22278E-04 3296 0.190E-02 0.143E-02 DAV: 3 -0.135173396597E+04 0.41655E-06 -0.20664E-06 2240 0.323E-03 296 F= -.13724420E+04 E0= -.13724420E+04 d E =-.154358E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135173490613E+04 -0.93974E-03 -0.16430E-01 2880 0.540E-01 0.161E-01 DAV: 2 -0.135173527521E+04 -0.36908E-03 -0.42766E-03 3264 0.826E-02 0.605E-02 DAV: 3 -0.135173524710E+04 0.28115E-04 -0.10765E-04 3392 0.164E-02 0.325E-02 DAV: 4 -0.135173524239E+04 0.47052E-05 -0.59390E-05 3296 0.117E-02 297 F= -.13724427E+04 E0= -.13724427E+04 d E =-.712761E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.135173560164E+04 -0.35455E-03 -0.50621E-02 3264 0.299E-01 0.929E-02 DAV: 2 -0.135173571261E+04 -0.11096E-03 -0.13282E-03 3232 0.461E-02 0.360E-02 DAV: 3 -0.135173570269E+04 0.99159E-05 -0.34149E-05 3200 0.988E-03 298 F= -.13724429E+04 E0= -.13724429E+04 d E =-.859791E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.135173654514E+04 -0.83253E-03 -0.19235E-01 2944 0.580E-01 0.137E-01 DAV: 2 -0.135173692989E+04 -0.38475E-03 -0.45508E-03 3200 0.857E-02 0.758E-02 DAV: 3 -0.135173690838E+04 0.21510E-04 -0.11162E-04 3488 0.157E-02 0.462E-02 DAV: 4 -0.135173690326E+04 0.51203E-05 -0.81663E-05 3232 0.143E-02 299 F= -.13724437E+04 E0= -.13724437E+04 d E =-.868777E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.135173729943E+04 -0.39105E-03 -0.65301E-02 3136 0.338E-01 0.833E-02 DAV: 2 -0.135173743240E+04 -0.13297E-03 -0.16272E-03 3200 0.512E-02 0.466E-02 DAV: 3 -0.135173742384E+04 0.85608E-05 -0.37887E-05 3200 0.995E-03 300 F= -.13724441E+04 E0= -.13724441E+04 d E =-.119624E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135173761321E+04 -0.18081E-03 -0.25786E-01 2816 0.672E-01 0.161E-01 DAV: 2 -0.135173811696E+04 -0.50375E-03 -0.60548E-03 3200 0.991E-02 0.905E-02 DAV: 3 -0.135173808737E+04 0.29597E-04 -0.15676E-04 3520 0.186E-02 0.544E-02 DAV: 4 -0.135173807803E+04 0.93409E-05 -0.10951E-04 3232 0.167E-02 0.178E-02 DAV: 5 -0.135173807721E+04 0.81558E-06 -0.15964E-05 2624 0.802E-03 301 F= -.13724443E+04 E0= -.13724443E+04 d E =-.146177E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135173872871E+04 -0.65068E-03 -0.10600E-01 2880 0.430E-01 0.102E-01 DAV: 2 -0.135173895940E+04 -0.23069E-03 -0.25384E-03 3168 0.630E-02 0.390E-02 DAV: 3 -0.135173894678E+04 0.12619E-04 -0.45594E-05 3328 0.112E-02 0.226E-02 DAV: 4 -0.135173894508E+04 0.16993E-05 -0.36661E-05 2976 0.982E-03 302 F= -.13724449E+04 E0= -.13724449E+04 d E =-.519505E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.135173940814E+04 -0.46136E-03 -0.31767E-01 2816 0.744E-01 0.177E-01 DAV: 2 -0.135174008640E+04 -0.67826E-03 -0.75535E-03 3168 0.109E-01 0.692E-02 DAV: 3 -0.135174004665E+04 0.39748E-04 -0.14887E-04 3456 0.194E-02 0.400E-02 DAV: 4 -0.135174003677E+04 0.98775E-05 -0.11408E-04 3264 0.171E-02 0.156E-02 DAV: 5 -0.135174003625E+04 0.51696E-06 -0.15915E-05 2752 0.738E-03 303 F= -.13724453E+04 E0= -.13724453E+04 d E =-.100662E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135173816577E+04 0.18710E-02 -0.12669E+00 2816 0.149E+00 0.350E-01 DAV: 2 -0.135174089106E+04 -0.27253E-02 -0.29999E-02 3136 0.217E-01 0.136E-01 DAV: 3 -0.135174073205E+04 0.15900E-03 -0.57857E-04 3424 0.379E-02 0.787E-02 DAV: 4 -0.135174068677E+04 0.45284E-04 -0.44062E-04 3232 0.333E-02 0.301E-02 DAV: 5 -0.135174068450E+04 0.22695E-05 -0.73861E-05 3360 0.143E-02 304 F= -.13724448E+04 E0= -.13724448E+04 d E =-.439869E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.135173885889E+04 0.18279E-02 -0.75599E-01 2816 0.115E+00 0.265E-01 DAV: 2 -0.135174047568E+04 -0.16168E-02 -0.17735E-02 3168 0.167E-01 0.105E-01 DAV: 3 -0.135174038872E+04 0.86952E-04 -0.35194E-04 3456 0.286E-02 0.608E-02 DAV: 4 -0.135174036893E+04 0.19795E-04 -0.24489E-04 3168 0.248E-02 0.224E-02 DAV: 5 -0.135174037125E+04 -0.23225E-05 -0.38744E-05 3328 0.104E-02 305 F= -.13724454E+04 E0= -.13724454E+04 d E =-.106509E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135174128882E+04 -0.91989E-03 -0.13685E-01 2912 0.490E-01 0.111E-01 DAV: 2 -0.135174157868E+04 -0.28987E-03 -0.32393E-03 3168 0.721E-02 0.644E-02 DAV: 3 -0.135174156148E+04 0.17204E-04 -0.67787E-05 3424 0.126E-02 0.393E-02 DAV: 4 -0.135174155754E+04 0.39405E-05 -0.54950E-05 3200 0.116E-02 306 F= -.13724460E+04 E0= -.13724460E+04 d E =-.574086E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.135174204661E+04 -0.48513E-03 -0.44630E-02 3168 0.279E-01 0.681E-02 DAV: 2 -0.135174214253E+04 -0.95919E-04 -0.11009E-03 3168 0.419E-02 0.393E-02 DAV: 3 -0.135174213698E+04 0.55500E-05 -0.21528E-05 2784 0.794E-03 307 F= -.13724462E+04 E0= -.13724462E+04 d E =-.804270E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.135174275278E+04 -0.61024E-03 -0.17579E-01 2848 0.555E-01 0.131E-01 DAV: 2 -0.135174311275E+04 -0.35997E-03 -0.41111E-03 3136 0.813E-02 0.756E-02 DAV: 3 -0.135174309345E+04 0.19298E-04 -0.94619E-05 3520 0.147E-02 0.456E-02 DAV: 4 -0.135174308925E+04 0.41985E-05 -0.71566E-05 3232 0.135E-02 308 F= -.13724465E+04 E0= -.13724465E+04 d E =-.105701E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135174386283E+04 -0.76938E-03 -0.14916E-01 2880 0.513E-01 0.132E-01 DAV: 2 -0.135174418758E+04 -0.32475E-03 -0.37178E-03 3200 0.769E-02 0.511E-02 DAV: 3 -0.135174416900E+04 0.18584E-04 -0.86463E-05 3424 0.145E-02 0.297E-02 DAV: 4 -0.135174416718E+04 0.18207E-05 -0.62944E-05 3200 0.122E-02 309 F= -.13724472E+04 E0= -.13724472E+04 d E =-.754352E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.135174451783E+04 -0.34883E-03 -0.38515E-02 2944 0.260E-01 0.696E-02 DAV: 2 -0.135174460140E+04 -0.83571E-04 -0.97262E-04 3232 0.394E-02 0.277E-02 DAV: 3 -0.135174459632E+04 0.50770E-05 -0.21330E-05 2848 0.785E-03 310 F= -.13724475E+04 E0= -.13724475E+04 d E =-.101867E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135174492544E+04 -0.32404E-03 -0.15158E-01 2880 0.517E-01 0.133E-01 DAV: 2 -0.135174524214E+04 -0.31670E-03 -0.36327E-03 3200 0.763E-02 0.522E-02 DAV: 3 -0.135174522476E+04 0.17378E-04 -0.88509E-05 3488 0.141E-02 0.304E-02 DAV: 4 -0.135174522218E+04 0.25777E-05 -0.55038E-05 3232 0.118E-02 311 F= -.13724478E+04 E0= -.13724478E+04 d E =-.131334E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135174571748E+04 -0.49272E-03 -0.17560E-01 2880 0.554E-01 0.132E-01 DAV: 2 -0.135174609488E+04 -0.37740E-03 -0.43632E-03 3168 0.845E-02 0.651E-02 DAV: 3 -0.135174607267E+04 0.22209E-04 -0.10260E-04 3456 0.160E-02 0.391E-02 DAV: 4 -0.135174606911E+04 0.35586E-05 -0.79793E-05 3232 0.137E-02 312 F= -.13724485E+04 E0= -.13724485E+04 d E =-.707014E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.135174624163E+04 -0.16896E-03 -0.28131E-02 3264 0.222E-01 0.564E-02 DAV: 2 -0.135174630203E+04 -0.60399E-04 -0.72379E-04 3232 0.346E-02 0.286E-02 DAV: 3 -0.135174629783E+04 0.42043E-05 -0.14579E-05 2464 0.709E-03 313 F= -.13724487E+04 E0= -.13724487E+04 d E =-.879324E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.135174635452E+04 -0.52490E-04 -0.11056E-01 2912 0.440E-01 0.106E-01 DAV: 2 -0.135174658082E+04 -0.22630E-03 -0.26513E-03 3136 0.662E-02 0.529E-02 DAV: 3 -0.135174656788E+04 0.12939E-04 -0.66629E-05 3520 0.125E-02 0.314E-02 DAV: 4 -0.135174656486E+04 0.30224E-05 -0.42132E-05 3040 0.105E-02 314 F= -.13724488E+04 E0= -.13724488E+04 d E =-.103259E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.135174685549E+04 -0.28761E-03 -0.23217E-01 2816 0.639E-01 0.155E-01 DAV: 2 -0.135174736235E+04 -0.50686E-03 -0.56682E-03 3200 0.959E-02 0.673E-02 DAV: 3 -0.135174733593E+04 0.26427E-04 -0.12330E-04 3456 0.175E-02 0.388E-02 DAV: 4 -0.135174733302E+04 0.29011E-05 -0.91557E-05 3200 0.146E-02 315 F= -.13724494E+04 E0= -.13724494E+04 d E =-.569265E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.135174742853E+04 -0.92600E-04 -0.12444E-02 3264 0.148E-01 0.396E-02 DAV: 2 -0.135174745640E+04 -0.27878E-04 -0.32512E-04 3264 0.231E-02 0.184E-02 DAV: 3 -0.135174745492E+04 0.14835E-05 -0.51300E-06 2208 0.504E-03 316 F= -.13724495E+04 E0= -.13724495E+04 d E =-.645176E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.135174754364E+04 -0.87237E-04 -0.48389E-02 2912 0.292E-01 0.718E-02 DAV: 2 -0.135174764450E+04 -0.10086E-03 -0.11476E-03 3168 0.434E-02 0.309E-02 DAV: 3 -0.135174764011E+04 0.43903E-05 -0.24886E-05 3008 0.786E-03 317 F= -.13724495E+04 E0= -.13724495E+04 d E =-.738025E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.135174820331E+04 -0.55881E-03 -0.20393E-01 2816 0.602E-01 0.155E-01 DAV: 2 -0.135174862202E+04 -0.41871E-03 -0.48004E-03 3264 0.888E-02 0.732E-02 DAV: 3 -0.135174859754E+04 0.24484E-04 -0.11821E-04 3456 0.164E-02 0.434E-02 DAV: 4 -0.135174859335E+04 0.41872E-05 -0.84482E-05 3232 0.145E-02 318 F= -.13724502E+04 E0= -.13724502E+04 d E =-.656549E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.135174876535E+04 -0.16782E-03 -0.21653E-02 3232 0.196E-01 0.544E-02 DAV: 2 -0.135174881132E+04 -0.45973E-04 -0.54875E-04 3200 0.301E-02 0.259E-02 DAV: 3 -0.135174880858E+04 0.27458E-05 -0.10813E-05 2432 0.617E-03 319 F= -.13724503E+04 E0= -.13724503E+04 d E =-.775595E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.135174893814E+04 -0.12681E-03 -0.84728E-02 2912 0.388E-01 0.102E-01 DAV: 2 -0.135174910812E+04 -0.16999E-03 -0.19859E-03 3200 0.572E-02 0.484E-02 DAV: 3 -0.135174909810E+04 0.10027E-04 -0.49971E-05 3360 0.107E-02 0.284E-02 DAV: 4 -0.135174909593E+04 0.21654E-05 -0.32206E-05 2976 0.930E-03 320 F= -.13724504E+04 E0= -.13724504E+04 d E =-.870042E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.135174945275E+04 -0.35466E-03 -0.12296E-01 2880 0.462E-01 0.104E-01 DAV: 2 -0.135174971514E+04 -0.26239E-03 -0.29807E-03 3232 0.693E-02 0.493E-02 DAV: 3 -0.135174970217E+04 0.12970E-04 -0.62370E-05 3392 0.125E-02 0.293E-02 DAV: 4 -0.135174970045E+04 0.17254E-05 -0.45402E-05 3104 0.104E-02 321 F= -.13724508E+04 E0= -.13724508E+04 d E =-.421376E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.135174987456E+04 -0.17238E-03 -0.26561E-02 3104 0.214E-01 0.508E-02 DAV: 2 -0.135174993100E+04 -0.56443E-04 -0.65242E-04 3232 0.326E-02 0.246E-02 DAV: 3 -0.135174992788E+04 0.31172E-05 -0.11298E-05 2432 0.629E-03 322 F= -.13724510E+04 E0= -.13724510E+04 d E =-.563521E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.135175007841E+04 -0.14741E-03 -0.10471E-01 2880 0.426E-01 0.966E-02 DAV: 2 -0.135175029181E+04 -0.21340E-03 -0.24451E-03 3200 0.630E-02 0.463E-02 DAV: 3 -0.135175028169E+04 0.10123E-04 -0.54321E-05 3360 0.112E-02 0.273E-02 DAV: 4 -0.135175027981E+04 0.18734E-05 -0.33346E-05 2944 0.913E-03 323 F= -.13724512E+04 E0= -.13724512E+04 d E =-.744270E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.135175034482E+04 -0.63135E-04 -0.13041E-02 3264 0.150E-01 0.362E-02 DAV: 2 -0.135175037253E+04 -0.27708E-04 -0.32195E-04 3168 0.229E-02 0.174E-02 DAV: 3 -0.135175037109E+04 0.14390E-05 -0.44336E-06 2240 0.453E-03 324 F= -.13724512E+04 E0= -.13724512E+04 d E =-.775383E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.135175073627E+04 -0.36374E-03 -0.84398E-02 2944 0.384E-01 0.115E-01 DAV: 2 -0.135175091495E+04 -0.17868E-03 -0.20857E-03 3200 0.583E-02 0.531E-02 DAV: 3 -0.135175090110E+04 0.13853E-04 -0.50195E-05 3392 0.111E-02 0.298E-02 DAV: 4 -0.135175089859E+04 0.25091E-05 -0.30010E-05 2880 0.896E-03 325 F= -.13724516E+04 E0= -.13724516E+04 d E =-.446291E-03