N E dE d eps ncg rms rms(c) DAV: 1 0.707624225920E+04 0.70762E+04 -0.51888E+05 19208 0.125E+03 DAV: 2 -0.100758155501E+04 -0.80838E+04 -0.78127E+04 23968 0.327E+02 DAV: 3 -0.168858282298E+04 -0.68100E+03 -0.67238E+03 21432 0.102E+02 DAV: 4 -0.170473607138E+04 -0.16153E+02 -0.16090E+02 22936 0.158E+01 DAV: 5 -0.170510023642E+04 -0.36417E+00 -0.36355E+00 21664 0.230E+00 0.121E+02 DAV: 6 -0.147187842972E+04 0.23322E+03 -0.10975E+03 20856 0.424E+01 0.697E+01 DAV: 7 -0.147961141150E+04 -0.77330E+01 -0.22230E+02 27616 0.281E+01 0.497E+01 DAV: 8 -0.144482501441E+04 0.34786E+02 -0.13851E+02 29208 0.183E+01 0.331E+01 DAV: 9 -0.144088172098E+04 0.39433E+01 -0.85809E+01 25056 0.154E+01 0.258E+01 DAV: 10 -0.144030941372E+04 0.57231E+00 -0.47476E+01 23072 0.103E+01 0.301E+01 DAV: 11 -0.143474727121E+04 0.55621E+01 -0.23107E+01 24632 0.668E+00 0.179E+01 DAV: 12 -0.143474590618E+04 0.13650E-02 -0.20027E+01 24776 0.472E+00 0.168E+01 DAV: 13 -0.143277420372E+04 0.19717E+01 -0.45295E+00 25576 0.354E+00 0.138E+01 DAV: 14 -0.143233203489E+04 0.44217E+00 -0.51718E+00 26256 0.278E+00 0.112E+01 DAV: 15 -0.143161556759E+04 0.71647E+00 -0.24563E+00 25024 0.213E+00 0.864E+00 DAV: 16 -0.143148577048E+04 0.12980E+00 -0.24218E+00 23584 0.130E+00 0.630E+00 DAV: 17 -0.143153771738E+04 -0.51947E-01 -0.20453E+00 23792 0.118E+00 0.747E+00 DAV: 18 -0.143141392794E+04 0.12379E+00 -0.12593E+00 24264 0.101E+00 0.566E+00 DAV: 19 -0.143136977384E+04 0.44154E-01 -0.91137E-01 24520 0.929E-01 0.399E+00 DAV: 20 -0.143134892965E+04 0.20844E-01 -0.58925E-01 24832 0.761E-01 0.290E+00 DAV: 21 -0.143132449935E+04 0.24430E-01 -0.30610E-01 24712 0.525E-01 0.245E+00 DAV: 22 -0.143131714905E+04 0.73503E-02 -0.14853E-01 23752 0.346E-01 0.183E+00 DAV: 23 -0.143131280835E+04 0.43407E-02 -0.71160E-02 23768 0.259E-01 0.103E+00 DAV: 24 -0.143131146875E+04 0.13396E-02 -0.29183E-02 23616 0.163E-01 0.589E-01 DAV: 25 -0.143131230515E+04 -0.83641E-03 -0.15880E-02 23968 0.109E-01 0.464E-01 DAV: 26 -0.143131186222E+04 0.44293E-03 -0.87139E-03 24128 0.832E-02 0.306E-01 DAV: 27 -0.143131153623E+04 0.32600E-03 -0.34918E-03 23144 0.653E-02 0.196E-01 DAV: 28 -0.143131163405E+04 -0.97819E-04 -0.14191E-03 23240 0.432E-02 0.191E-01 DAV: 29 -0.143131153028E+04 0.10377E-03 -0.78174E-04 23208 0.322E-02 0.109E-01 DAV: 30 -0.143131153284E+04 -0.25592E-05 -0.28607E-04 21928 0.213E-02 0.772E-02 DAV: 31 -0.143131152738E+04 0.54525E-05 -0.28038E-04 18472 0.168E-02 0.572E-02 DAV: 32 -0.143131152081E+04 0.65719E-05 -0.86733E-05 15008 0.125E-02 1 F= -.14313115E+04 E0= -.14312594E+04 d E =-.143131E+04 N E dE d eps ncg rms rms(c) DAV: 1 -0.109600642964E+04 0.33531E+03 -0.43339E+04 19152 0.296E+02 0.135E+02 DAV: 2 -0.150727692223E+04 -0.41127E+03 -0.42971E+03 22540 0.851E+01 0.779E+01 DAV: 3 -0.146633543611E+04 0.40941E+02 -0.29699E+02 23744 0.271E+01 0.502E+01 DAV: 4 -0.143466967661E+04 0.31666E+02 -0.74762E+01 28000 0.165E+01 0.376E+01 DAV: 5 -0.143951996444E+04 -0.48503E+01 -0.57252E+01 22200 0.116E+01 0.385E+01 DAV: 6 -0.143038779481E+04 0.91322E+01 -0.25960E+01 24152 0.698E+00 0.254E+01 DAV: 7 -0.142788810928E+04 0.24997E+01 -0.19576E+01 24672 0.509E+00 0.205E+01 DAV: 8 -0.142685001814E+04 0.10381E+01 -0.10727E+01 24112 0.422E+00 0.174E+01 DAV: 9 -0.142683520430E+04 0.14814E-01 -0.13837E+01 27256 0.395E+00 0.153E+01 DAV: 10 -0.142572912813E+04 0.11061E+01 -0.10863E+01 24832 0.306E+00 0.991E+00 DAV: 11 -0.142527568486E+04 0.45344E+00 -0.22106E+00 24496 0.171E+00 0.619E+00 DAV: 12 -0.142515493011E+04 0.12075E+00 -0.19368E+00 25320 0.135E+00 0.572E+00 DAV: 13 -0.142511937817E+04 0.35552E-01 -0.14256E+00 23800 0.922E-01 0.582E+00 DAV: 14 -0.142502977853E+04 0.89600E-01 -0.77024E-01 24664 0.690E-01 0.367E+00 DAV: 15 -0.142503195863E+04 -0.21801E-02 -0.65345E-01 24448 0.558E-01 0.362E+00 DAV: 16 -0.142499700660E+04 0.34952E-01 -0.16143E-01 23392 0.367E-01 0.156E+00 DAV: 17 -0.142499986591E+04 -0.28593E-02 -0.13489E-01 24688 0.310E-01 0.143E+00 DAV: 18 -0.142500057748E+04 -0.71157E-03 -0.92215E-02 24792 0.262E-01 0.999E-01 DAV: 19 -0.142499507250E+04 0.55050E-02 -0.31026E-02 25712 0.165E-01 0.438E-01 DAV: 20 -0.142499533187E+04 -0.25937E-03 -0.65525E-03 23456 0.864E-02 0.263E-01 DAV: 21 -0.142499537407E+04 -0.42208E-04 -0.33132E-03 23712 0.551E-02 0.201E-01 DAV: 22 -0.142499538307E+04 -0.90012E-05 -0.11944E-03 23408 0.378E-02 0.107E-01 DAV: 23 -0.142499538649E+04 -0.34169E-05 -0.51522E-04 22520 0.243E-02 0.606E-02 DAV: 24 -0.142499537962E+04 0.68740E-05 -0.17777E-04 18704 0.160E-02 0.444E-02 DAV: 25 -0.142499538155E+04 -0.19361E-05 -0.11314E-04 14728 0.103E-02 0.479E-02 DAV: 26 -0.142499537829E+04 0.32601E-05 -0.89417E-05 11944 0.703E-03 2 F= -.14249954E+04 E0= -.14249517E+04 d E =0.631614E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.143867433458E+04 -0.13679E+02 -0.13870E+04 19152 0.170E+02 0.572E+01 DAV: 2 -0.151405118611E+04 -0.75377E+02 -0.85429E+02 22360 0.382E+01 0.377E+01 DAV: 3 -0.149975913687E+04 0.14292E+02 -0.10875E+02 25760 0.158E+01 0.285E+01 DAV: 4 -0.149123299525E+04 0.85261E+01 -0.37769E+01 26200 0.886E+00 0.231E+01 DAV: 5 -0.148990984789E+04 0.13231E+01 -0.25597E+01 22976 0.518E+00 0.186E+01 DAV: 6 -0.148963249772E+04 0.27735E+00 -0.22697E+01 23208 0.411E+00 0.185E+01 DAV: 7 -0.148892164073E+04 0.71086E+00 -0.21160E+01 24968 0.405E+00 0.163E+01 DAV: 8 -0.148814073289E+04 0.78091E+00 -0.72157E+00 23544 0.289E+00 0.138E+01 DAV: 9 -0.148786455900E+04 0.27617E+00 -0.51052E+00 26160 0.291E+00 0.128E+01 DAV: 10 -0.148719832792E+04 0.66623E+00 -0.50414E+00 25352 0.206E+00 0.860E+00 DAV: 11 -0.148677481845E+04 0.42351E+00 -0.22234E+00 24608 0.150E+00 0.690E+00 DAV: 12 -0.148673177744E+04 0.43041E-01 -0.21512E+00 24992 0.102E+00 0.524E+00 DAV: 13 -0.148670569319E+04 0.26084E-01 -0.13291E+00 25088 0.948E-01 0.407E+00 DAV: 14 -0.148672778144E+04 -0.22088E-01 -0.14408E+00 24752 0.762E-01 0.488E+00 DAV: 15 -0.148663012882E+04 0.97653E-01 -0.66910E-01 24624 0.558E-01 0.153E+00 DAV: 16 -0.148663114102E+04 -0.10122E-02 -0.11932E-01 24528 0.346E-01 0.983E-01 DAV: 17 -0.148662945666E+04 0.16844E-02 -0.48056E-02 23880 0.214E-01 0.660E-01 DAV: 18 -0.148662767412E+04 0.17825E-02 -0.17410E-02 23736 0.144E-01 0.343E-01 DAV: 19 -0.148662776407E+04 -0.89952E-04 -0.56532E-03 23520 0.794E-02 0.246E-01 DAV: 20 -0.148662756205E+04 0.20202E-03 -0.23216E-03 23344 0.468E-02 0.161E-01 DAV: 21 -0.148662755737E+04 0.46837E-05 -0.10401E-03 23248 0.323E-02 0.115E-01 DAV: 22 -0.148662751586E+04 0.41512E-04 -0.37177E-04 22480 0.238E-02 0.427E-02 DAV: 23 -0.148662753776E+04 -0.21901E-04 -0.15118E-04 19456 0.171E-02 0.563E-02 DAV: 24 -0.148662752824E+04 0.95174E-05 -0.11866E-04 14840 0.112E-02 0.499E-02 DAV: 25 -0.148662752340E+04 0.48413E-05 -0.47818E-05 12376 0.795E-03 3 F= -.14866275E+04 E0= -.14865602E+04 d E =-.553160E+02 N E dE d eps ncg rms rms(c) DAV: 1 -0.142603513221E+04 0.60592E+02 -0.26958E+04 19152 0.243E+02 0.108E+02 DAV: 2 -0.151622002061E+04 -0.90185E+02 -0.19734E+03 21752 0.582E+01 0.396E+01 DAV: 3 -0.150423082960E+04 0.11989E+02 -0.11347E+02 23040 0.172E+01 0.316E+01 DAV: 4 -0.149414060854E+04 0.10090E+02 -0.61961E+01 23656 0.956E+00 0.201E+01 DAV: 5 -0.149135127828E+04 0.27893E+01 -0.37867E+01 23504 0.761E+00 0.181E+01 DAV: 6 -0.148897892967E+04 0.23723E+01 -0.34588E+01 23304 0.473E+00 0.125E+01 DAV: 7 -0.148804796868E+04 0.93096E+00 -0.15267E+01 24376 0.315E+00 0.126E+01 DAV: 8 -0.148727510209E+04 0.77287E+00 -0.46267E+00 24568 0.253E+00 0.957E+00 DAV: 9 -0.148712875049E+04 0.14635E+00 -0.63213E+00 24528 0.169E+00 0.889E+00 DAV: 10 -0.148674621299E+04 0.38254E+00 -0.15877E+00 23936 0.107E+00 0.516E+00 DAV: 11 -0.148694217188E+04 -0.19596E+00 -0.22705E+00 25136 0.103E+00 0.625E+00 DAV: 12 -0.148688062417E+04 0.61548E-01 -0.19309E+00 24328 0.854E-01 0.542E+00 DAV: 13 -0.148669015041E+04 0.19047E+00 -0.72391E-01 23560 0.718E-01 0.346E+00 DAV: 14 -0.148664431864E+04 0.45832E-01 -0.27125E-01 23392 0.472E-01 0.238E+00 DAV: 15 -0.148663593407E+04 0.83846E-02 -0.14216E-01 22080 0.283E-01 0.954E-01 DAV: 16 -0.148664256346E+04 -0.66294E-02 -0.19203E-02 22472 0.176E-01 0.116E+00 DAV: 17 -0.148664022884E+04 0.23346E-02 -0.33888E-02 23768 0.123E-01 0.797E-01 DAV: 18 -0.148663935165E+04 0.87719E-03 -0.21588E-02 21976 0.869E-02 0.390E-01 DAV: 19 -0.148663955799E+04 -0.20635E-03 -0.89199E-03 23792 0.649E-02 0.359E-01 DAV: 20 -0.148663915474E+04 0.40325E-03 -0.39254E-03 23320 0.459E-02 0.230E-01 DAV: 21 -0.148663915349E+04 0.12531E-05 -0.22029E-03 22544 0.320E-02 0.158E-01 DAV: 22 -0.148663908649E+04 0.66995E-04 -0.64019E-04 21160 0.202E-02 0.377E-02 DAV: 23 -0.148663910910E+04 -0.22610E-04 -0.14120E-04 18616 0.144E-02 0.498E-02 DAV: 24 -0.148663910380E+04 0.52999E-05 -0.97997E-05 13256 0.860E-03 4 F= -.14866391E+04 E0= -.14865731E+04 d E =-.115804E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.151708051145E+04 -0.30441E+02 -0.61586E+03 19152 0.114E+02 0.347E+01 DAV: 2 -0.154789073836E+04 -0.30810E+02 -0.30340E+02 22672 0.226E+01 0.356E+01 DAV: 3 -0.152853988750E+04 0.19351E+02 -0.65863E+01 25856 0.105E+01 0.217E+01 DAV: 4 -0.152523699893E+04 0.33029E+01 -0.29087E+01 25880 0.780E+00 0.191E+01 DAV: 5 -0.152223890125E+04 0.29981E+01 -0.32361E+01 23224 0.520E+00 0.150E+01 DAV: 6 -0.152157793799E+04 0.66096E+00 -0.25502E+01 24648 0.372E+00 0.109E+01 DAV: 7 -0.152254525772E+04 -0.96732E+00 -0.16403E+01 25320 0.298E+00 0.175E+01 DAV: 8 -0.152033552142E+04 0.22097E+01 -0.66985E+00 24448 0.210E+00 0.727E+00 DAV: 9 -0.152041147717E+04 -0.75956E-01 -0.29964E+00 23592 0.150E+00 0.933E+00 DAV: 10 -0.152041125178E+04 0.22540E-03 -0.78021E+00 24808 0.137E+00 0.916E+00 DAV: 11 -0.152007994139E+04 0.33131E+00 -0.28749E+00 25568 0.102E+00 0.563E+00 DAV: 12 -0.152000094282E+04 0.78999E-01 -0.52433E-01 23960 0.725E-01 0.242E+00 DAV: 13 -0.152002013764E+04 -0.19195E-01 -0.61404E-01 23760 0.526E-01 0.274E+00 DAV: 14 -0.152000050405E+04 0.19634E-01 -0.27735E-01 23480 0.359E-01 0.178E+00 DAV: 15 -0.151999285692E+04 0.76471E-02 -0.11350E-01 22808 0.239E-01 0.147E+00 DAV: 16 -0.151999537593E+04 -0.25190E-02 -0.47741E-02 23160 0.169E-01 0.135E+00 DAV: 17 -0.151998918745E+04 0.61885E-02 -0.41153E-02 22824 0.130E-01 0.363E-01 DAV: 18 -0.151998989687E+04 -0.70942E-03 -0.65775E-03 21856 0.799E-02 0.302E-01 DAV: 19 -0.151998968905E+04 0.20782E-03 -0.50149E-03 22872 0.563E-02 0.295E-01 DAV: 20 -0.151998946675E+04 0.22230E-03 -0.16101E-03 22864 0.352E-02 0.111E-01 DAV: 21 -0.151998949058E+04 -0.23829E-04 -0.46899E-04 21208 0.206E-02 0.474E-02 DAV: 22 -0.151998949839E+04 -0.78178E-05 -0.83891E-05 16696 0.123E-02 5 F= -.15199895E+04 E0= -.15199071E+04 d E =-.333620E+02 N E dE d eps ncg rms rms(c) DAV: 1 -0.150631071150E+04 0.13679E+02 -0.17599E+04 19152 0.197E+02 0.883E+01 DAV: 2 -0.154787041008E+04 -0.41560E+02 -0.13148E+03 21808 0.454E+01 0.346E+01 DAV: 3 -0.152823084379E+04 0.19640E+02 -0.10617E+02 25680 0.161E+01 0.247E+01 DAV: 4 -0.152414713931E+04 0.40837E+01 -0.10104E+02 22432 0.880E+00 0.183E+01 DAV: 5 -0.152264602531E+04 0.15011E+01 -0.53720E+01 24432 0.569E+00 0.142E+01 DAV: 6 -0.152099599611E+04 0.16500E+01 -0.13290E+01 24368 0.510E+00 0.165E+01 DAV: 7 -0.151940927933E+04 0.15867E+01 -0.23804E+01 23328 0.272E+00 0.952E+00 DAV: 8 -0.152017608553E+04 -0.76681E+00 -0.11221E+01 24280 0.284E+00 0.144E+01 DAV: 9 -0.151902405593E+04 0.11520E+01 -0.86974E+00 23880 0.167E+00 0.853E+00 DAV: 10 -0.151880645894E+04 0.21760E+00 -0.45312E+00 22744 0.117E+00 0.701E+00 DAV: 11 -0.151872380812E+04 0.82651E-01 -0.72013E-01 22656 0.967E-01 0.451E+00 DAV: 12 -0.151879038990E+04 -0.66582E-01 -0.27823E+00 24152 0.939E-01 0.753E+00 DAV: 13 -0.151865961490E+04 0.13078E+00 -0.14917E+00 24296 0.766E-01 0.615E+00 DAV: 14 -0.151858064573E+04 0.78969E-01 -0.74277E-01 24136 0.563E-01 0.342E+00 DAV: 15 -0.151855945363E+04 0.21192E-01 -0.43245E-01 23200 0.430E-01 0.153E+00 DAV: 16 -0.151855600873E+04 0.34449E-02 -0.30648E-02 21992 0.234E-01 0.697E-01 DAV: 17 -0.151855694158E+04 -0.93285E-03 -0.18342E-02 23296 0.146E-01 0.825E-01 DAV: 18 -0.151855497203E+04 0.19695E-02 -0.20257E-02 25416 0.118E-01 0.790E-01 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15 -0.159578089998E+04 0.46673E-05 -0.42031E-05 19072 0.158E-02 23 F= -.15957809E+04 E0= -.15957269E+04 d E =-.232848E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.159631772938E+04 -0.53682E+00 -0.65781E+02 19152 0.375E+01 0.771E+00 DAV: 2 -0.160013775620E+04 -0.38200E+01 -0.48566E+01 21896 0.646E+00 0.120E+01 DAV: 3 -0.159814174595E+04 0.19960E+01 -0.12769E+01 24808 0.292E+00 0.665E+00 DAV: 4 -0.159768194924E+04 0.45980E+00 -0.45014E+00 22280 0.144E+00 0.712E+00 DAV: 5 -0.159770522382E+04 -0.23275E-01 -0.77526E+00 23808 0.110E+00 0.697E+00 DAV: 6 -0.159749147852E+04 0.21375E+00 -0.19449E+00 23024 0.774E-01 0.375E+00 DAV: 7 -0.159752807767E+04 -0.36599E-01 -0.23808E+00 23584 0.726E-01 0.481E+00 DAV: 8 -0.159748189105E+04 0.46187E-01 -0.24458E+00 23184 0.753E-01 0.423E+00 DAV: 9 -0.159742662105E+04 0.55270E-01 -0.38018E-01 22216 0.463E-01 0.329E+00 DAV: 10 -0.159738399261E+04 0.42628E-01 -0.16608E-01 21832 0.249E-01 0.150E+00 DAV: 11 -0.159742380415E+04 -0.39812E-01 -0.64926E-01 25008 0.364E-01 0.368E+00 DAV: 12 -0.159737917462E+04 0.44630E-01 -0.29934E-01 22808 0.274E-01 0.759E-01 DAV: 13 -0.159738315224E+04 -0.39776E-02 -0.26241E-02 22200 0.130E-01 0.481E-01 DAV: 14 -0.159738491166E+04 -0.17594E-02 -0.34444E-02 23336 0.979E-02 0.948E-01 DAV: 15 -0.159738208141E+04 0.28302E-02 -0.69008E-03 21920 0.580E-02 0.384E-01 DAV: 16 -0.159738243109E+04 -0.34967E-03 -0.44518E-04 21952 0.345E-02 0.365E-01 DAV: 17 -0.159738211143E+04 0.31966E-03 -0.12711E-03 23072 0.333E-02 0.940E-02 DAV: 18 -0.159738228250E+04 -0.17107E-03 -0.23749E-04 22136 0.239E-02 0.102E-01 DAV: 19 -0.159738227897E+04 0.35362E-05 -0.33610E-05 15296 0.105E-02 24 F= -.15973823E+04 E0= -.15973324E+04 d E =-.160138E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.159738803248E+04 -0.57500E-02 -0.40828E+00 19168 0.295E+00 0.670E-01 DAV: 2 -0.159748493819E+04 -0.96906E-01 -0.58515E-01 22272 0.566E-01 0.460E+00 DAV: 3 -0.159738484670E+04 0.10009E+00 -0.40059E-01 23608 0.335E-01 0.951E-01 DAV: 4 -0.159739892178E+04 -0.14075E-01 -0.55491E-02 21624 0.145E-01 0.925E-01 DAV: 5 -0.159739537473E+04 0.35470E-02 -0.19048E-02 22288 0.969E-02 0.487E-01 DAV: 6 -0.159739453367E+04 0.84106E-03 -0.11572E-02 23032 0.670E-02 0.326E-01 DAV: 7 -0.159739517689E+04 -0.64321E-03 -0.54332E-03 22464 0.550E-02 0.497E-01 DAV: 8 -0.159739445669E+04 0.72020E-03 -0.56911E-03 22952 0.586E-02 0.297E-01 DAV: 9 -0.159739385139E+04 0.60530E-03 -0.32563E-03 24616 0.510E-02 0.826E-02 DAV: 10 -0.159739389476E+04 -0.43374E-04 -0.36134E-04 21768 0.277E-02 0.661E-02 DAV: 11 -0.159739385328E+04 0.41484E-04 -0.10444E-04 19232 0.158E-02 0.200E-02 DAV: 12 -0.159739385111E+04 0.21647E-05 -0.20447E-05 13672 0.931E-03 25 F= -.15973939E+04 E0= -.15973457E+04 d E =-.161295E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.159800370562E+04 -0.60985E+00 -0.52087E+02 19152 0.332E+01 0.737E+00 DAV: 2 -0.160235493614E+04 -0.43512E+01 -0.42780E+01 22672 0.626E+00 0.131E+01 DAV: 3 -0.159991280720E+04 0.24421E+01 -0.14459E+01 25152 0.310E+00 0.107E+01 DAV: 4 -0.159902773614E+04 0.88507E+00 -0.63146E+00 22024 0.142E+00 0.493E+00 DAV: 5 -0.159928859037E+04 -0.26085E+00 -0.61029E+00 22792 0.995E-01 0.819E+00 DAV: 6 -0.159891668669E+04 0.37190E+00 -0.30632E+00 22928 0.883E-01 0.353E+00 DAV: 7 -0.159898267275E+04 -0.65986E-01 -0.19635E+00 23840 0.681E-01 0.498E+00 DAV: 8 -0.159890583687E+04 0.76836E-01 -0.92049E-01 22760 0.519E-01 0.286E+00 DAV: 9 -0.159893302048E+04 -0.27184E-01 -0.91460E-01 23800 0.534E-01 0.372E+00 DAV: 10 -0.159887994276E+04 0.53078E-01 -0.66600E-01 23160 0.433E-01 0.192E+00 DAV: 11 -0.159887949260E+04 0.45017E-03 -0.15138E-01 22928 0.264E-01 0.139E+00 DAV: 12 -0.159887417282E+04 0.53198E-02 -0.37185E-02 23000 0.157E-01 0.103E+00 DAV: 13 -0.159887242131E+04 0.17515E-02 -0.42401E-02 23120 0.105E-01 0.593E-01 DAV: 14 -0.159887298089E+04 -0.55958E-03 -0.23932E-03 21344 0.674E-02 0.548E-01 DAV: 15 -0.159887219918E+04 0.78171E-03 -0.14197E-02 25664 0.679E-02 0.382E-01 DAV: 16 -0.159887213829E+04 0.60892E-04 -0.31903E-03 21088 0.412E-02 0.980E-02 DAV: 17 -0.159887218320E+04 -0.44912E-04 -0.27977E-04 21424 0.168E-02 0.435E-02 DAV: 18 -0.159887217117E+04 0.12029E-04 -0.61275E-05 13568 0.820E-03 0.193E-02 DAV: 19 -0.159887217182E+04 -0.64759E-06 -0.20769E-05 11944 0.583E-03 26 F= -.15988722E+04 E0= -.15988165E+04 d E =-.147832E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.159887511742E+04 -0.29462E-02 -0.33163E+01 19152 0.838E+00 0.207E+00 DAV: 2 -0.159974488674E+04 -0.86977E+00 -0.75301E+00 23208 0.172E+00 0.939E+00 DAV: 3 -0.159891981562E+04 0.82507E+00 -0.13453E+00 25176 0.106E+00 0.261E+00 DAV: 4 -0.159894344858E+04 -0.23633E-01 -0.56835E-01 22056 0.355E-01 0.205E+00 DAV: 5 -0.159893868198E+04 0.47666E-02 -0.22393E-01 22112 0.290E-01 0.163E+00 DAV: 6 -0.159892706917E+04 0.11613E-01 -0.47741E-02 24664 0.210E-01 0.535E-01 DAV: 7 -0.159893028957E+04 -0.32204E-02 -0.45143E-02 22408 0.155E-01 0.818E-01 DAV: 8 -0.159892667030E+04 0.36193E-02 -0.64249E-02 22864 0.122E-01 0.449E-01 DAV: 9 -0.159892599502E+04 0.67528E-03 -0.47694E-03 22624 0.885E-02 0.339E-01 DAV: 10 -0.159892589640E+04 0.98623E-04 -0.47138E-03 21704 0.473E-02 0.284E-01 DAV: 11 -0.159892560800E+04 0.28839E-03 -0.26663E-03 23504 0.352E-02 0.129E-01 DAV: 12 -0.159892558882E+04 0.19181E-04 -0.60355E-04 21184 0.193E-02 0.471E-02 DAV: 13 -0.159892558484E+04 0.39844E-05 -0.62454E-05 14808 0.117E-02 27 F= -.15989256E+04 E0= -.15988700E+04 d E =-.153173E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.159988880570E+04 -0.96322E+00 -0.48044E+02 19152 0.317E+01 0.668E+00 DAV: 2 -0.160352640411E+04 -0.36376E+01 -0.44716E+01 23096 0.572E+00 0.129E+01 DAV: 3 -0.160100601406E+04 0.25204E+01 -0.10855E+01 25712 0.287E+00 0.748E+00 DAV: 4 -0.160074510606E+04 0.26091E+00 -0.45785E+00 22112 0.123E+00 0.516E+00 DAV: 5 -0.160070624391E+04 0.38862E-01 -0.24683E+00 23144 0.871E-01 0.334E+00 DAV: 6 -0.160062927918E+04 0.76965E-01 -0.30934E-01 22808 0.589E-01 0.265E+00 DAV: 7 -0.160077191671E+04 -0.14264E+00 -0.22998E+00 24440 0.620E-01 0.729E+00 DAV: 8 -0.160057835927E+04 0.19356E+00 -0.67695E-01 23032 0.547E-01 0.277E+00 DAV: 9 -0.160058747232E+04 -0.91131E-02 -0.29600E-01 21952 0.330E-01 0.183E+00 DAV: 10 -0.160059231317E+04 -0.48408E-02 -0.55094E-02 22248 0.250E-01 0.203E+00 DAV: 11 -0.160058290672E+04 0.94064E-02 -0.21352E-01 24216 0.220E-01 0.155E+00 DAV: 12 -0.160057836743E+04 0.45393E-02 -0.31895E-02 21104 0.118E-01 0.459E-01 DAV: 13 -0.160057889479E+04 -0.52736E-03 -0.57423E-03 21896 0.685E-02 0.302E-01 DAV: 14 -0.160057935352E+04 -0.45872E-03 -0.59488E-03 23432 0.593E-02 0.378E-01 DAV: 15 -0.160057903498E+04 0.31854E-03 -0.51859E-03 23624 0.373E-02 0.247E-01 DAV: 16 -0.160057896455E+04 0.70432E-04 -0.88765E-04 21360 0.238E-02 0.226E-02 DAV: 17 -0.160057900429E+04 -0.39742E-04 -0.99278E-05 14832 0.105E-02 0.773E-02 DAV: 18 -0.160057898107E+04 0.23214E-04 -0.82735E-05 13576 0.100E-02 0.212E-02 DAV: 19 -0.160057898601E+04 -0.49334E-05 -0.13182E-05 11352 0.524E-03 28 F= -.16005790E+04 E0= -.16005168E+04 d E =-.165340E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.160054835802E+04 0.30623E-01 -0.36459E+02 19152 0.277E+01 0.588E+00 DAV: 2 -0.160365407698E+04 -0.31057E+01 -0.37424E+01 23216 0.503E+00 0.130E+01 DAV: 3 -0.160136507714E+04 0.22890E+01 -0.97335E+00 26016 0.258E+00 0.595E+00 DAV: 4 -0.160122196709E+04 0.14311E+00 -0.32165E+00 22264 0.111E+00 0.511E+00 DAV: 5 -0.160115288269E+04 0.69084E-01 -0.21789E+00 23072 0.764E-01 0.305E+00 DAV: 6 -0.160109965776E+04 0.53225E-01 -0.62483E-01 22880 0.529E-01 0.224E+00 DAV: 7 -0.160111970275E+04 -0.20045E-01 -0.89459E-01 22368 0.533E-01 0.402E+00 DAV: 8 -0.160107711856E+04 0.42584E-01 -0.51658E-01 23056 0.326E-01 0.204E+00 DAV: 9 -0.160107775601E+04 -0.63745E-03 -0.20186E-01 21936 0.277E-01 0.179E+00 DAV: 10 -0.160107271374E+04 0.50423E-02 -0.54634E-02 23088 0.197E-01 0.182E+00 DAV: 11 -0.160106316910E+04 0.95446E-02 -0.12751E-01 24728 0.183E-01 0.109E+00 DAV: 12 -0.160106247451E+04 0.69459E-03 -0.27028E-02 20968 0.101E-01 0.149E-01 DAV: 13 -0.160106302777E+04 -0.55326E-03 -0.18867E-03 21704 0.495E-02 0.275E-01 DAV: 14 -0.160106276152E+04 0.26625E-03 -0.14845E-03 24624 0.330E-02 0.827E-02 DAV: 15 -0.160106294624E+04 -0.18472E-03 -0.91811E-04 22736 0.221E-02 0.199E-01 DAV: 16 -0.160106278855E+04 0.15770E-03 -0.50428E-04 14984 0.129E-02 0.203E-02 DAV: 17 -0.160106283732E+04 -0.48777E-04 -0.66728E-05 14680 0.906E-03 0.524E-02 DAV: 18 -0.160106283258E+04 0.47386E-05 -0.14130E-05 11712 0.626E-03 29 F= -.16010628E+04 E0= -.16010008E+04 d E =-.213725E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.160185949026E+04 -0.79665E+00 -0.43239E+02 19152 0.303E+01 0.586E+00 DAV: 2 -0.160492660539E+04 -0.30671E+01 -0.37064E+01 22472 0.522E+00 0.134E+01 DAV: 3 -0.160264077031E+04 0.22858E+01 -0.48833E+00 25352 0.253E+00 0.403E+00 DAV: 4 -0.160262829842E+04 0.12472E-01 -0.16804E+00 21728 0.871E-01 0.291E+00 DAV: 5 -0.160258524923E+04 0.43049E-01 -0.11887E+00 22472 0.523E-01 0.301E+00 DAV: 6 -0.160265875030E+04 -0.73501E-01 -0.20645E+00 22520 0.549E-01 0.524E+00 DAV: 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10936 0.286E-03 30 F= -.16025230E+04 E0= -.16024654E+04 d E =-.146021E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.160253473103E+04 -0.11689E-01 -0.18107E+02 19152 0.196E+01 0.414E+00 DAV: 2 -0.160464602339E+04 -0.21113E+01 -0.24096E+01 23128 0.363E+00 0.135E+01 DAV: 3 -0.160279457550E+04 0.18514E+01 -0.52925E+00 25680 0.194E+00 0.318E+00 DAV: 4 -0.160294044874E+04 -0.14587E+00 -0.18059E+00 22152 0.688E-01 0.562E+00 DAV: 5 -0.160280541831E+04 0.13503E+00 -0.17615E+00 23272 0.453E-01 0.174E+00 DAV: 6 -0.160282808465E+04 -0.22666E-01 -0.65409E-01 22192 0.374E-01 0.265E+00 DAV: 7 -0.160281068376E+04 0.17401E-01 -0.75253E-01 23280 0.403E-01 0.230E+00 DAV: 8 -0.160280104837E+04 0.96354E-02 -0.22091E-01 22448 0.221E-01 0.165E+00 DAV: 9 -0.160278876675E+04 0.12282E-01 -0.60683E-02 25280 0.203E-01 0.379E-01 DAV: 10 -0.160279088366E+04 -0.21169E-02 -0.50261E-03 22680 0.115E-01 0.405E-01 DAV: 11 -0.160279038747E+04 0.49619E-03 -0.35744E-03 22176 0.540E-02 0.105E-01 DAV: 12 -0.160279043887E+04 -0.51400E-04 -0.31549E-04 21888 0.325E-02 0.529E-02 DAV: 13 -0.160279045145E+04 -0.12575E-04 -0.32975E-04 21688 0.284E-02 0.127E-01 DAV: 14 -0.160279039891E+04 0.52535E-04 -0.59147E-04 22192 0.183E-02 0.614E-02 DAV: 15 -0.160279040683E+04 -0.79166E-05 -0.11225E-04 13400 0.915E-03 0.219E-02 DAV: 16 -0.160279040695E+04 -0.12026E-06 -0.36941E-05 11992 0.520E-03 31 F= -.16027904E+04 E0= -.16027363E+04 d E =-.172757E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.160342754046E+04 -0.63713E+00 -0.50574E+02 19152 0.327E+01 0.593E+00 DAV: 2 -0.160546863152E+04 -0.20411E+01 -0.25519E+01 21768 0.513E+00 0.141E+01 DAV: 3 -0.160447857408E+04 0.99006E+00 -0.21539E+01 24728 0.217E+00 0.387E+00 DAV: 4 -0.160448404613E+04 -0.54720E-02 -0.10657E+00 21864 0.950E-01 0.393E+00 DAV: 5 -0.160442028174E+04 0.63764E-01 -0.19990E+00 23032 0.620E-01 0.339E+00 DAV: 6 -0.160438384539E+04 0.36436E-01 -0.11853E+00 21744 0.679E-01 0.317E+00 DAV: 7 -0.160433848494E+04 0.45360E-01 -0.11553E+00 22656 0.579E-01 0.299E+00 DAV: 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19152 0.216E+01 0.390E+00 DAV: 2 -0.160494128180E+04 -0.77303E+00 -0.95310E+00 21824 0.332E+00 0.834E+00 DAV: 3 -0.160468993364E+04 0.25135E+00 -0.87510E+00 23544 0.124E+00 0.374E+00 DAV: 4 -0.160475890714E+04 -0.68974E-01 -0.26575E+00 22696 0.714E-01 0.610E+00 DAV: 5 -0.160457567584E+04 0.18323E+00 -0.25767E+00 23264 0.511E-01 0.198E+00 DAV: 6 -0.160456372687E+04 0.11949E-01 -0.32197E-01 24480 0.469E-01 0.229E+00 DAV: 7 -0.160455174150E+04 0.11985E-01 -0.50676E-01 22248 0.335E-01 0.166E+00 DAV: 8 -0.160453278712E+04 0.18954E-01 -0.48260E-02 22280 0.337E-01 0.190E+00 DAV: 9 -0.160453437789E+04 -0.15908E-02 -0.15101E-01 27144 0.338E-01 0.100E+00 DAV: 10 -0.160453147077E+04 0.29071E-02 -0.16863E-02 21488 0.126E-01 0.962E-01 DAV: 11 -0.160452507413E+04 0.63966E-02 -0.30794E-03 26104 0.107E-01 0.789E-01 DAV: 12 -0.160452665578E+04 -0.15817E-02 -0.75191E-04 21648 0.427E-02 0.832E-01 DAV: 13 -0.160452623540E+04 0.42037E-03 -0.63166E-04 25216 0.420E-02 0.784E-01 DAV: 14 -0.160452495870E+04 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DAV: 27 -0.160452375054E+04 0.60635E-04 -0.23618E-05 15776 0.928E-03 0.763E-02 DAV: 28 -0.160452377381E+04 -0.23273E-04 -0.60160E-06 11584 0.396E-03 0.775E-02 DAV: 29 -0.160452376328E+04 0.10535E-04 -0.53623E-07 10440 0.168E-03 0.770E-02 DAV: 30 -0.160452367214E+04 0.91136E-04 -0.15045E-05 14632 0.116E-02 0.760E-02 DAV: 31 -0.160452367130E+04 0.83839E-06 -0.90200E-06 11656 0.323E-03 33 F= -.16045237E+04 E0= -.16044824E+04 d E =-.173326E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.160514563633E+04 -0.62196E+00 -0.45390E+02 19264 0.310E+01 0.502E+00 DAV: 2 -0.160638642196E+04 -0.12408E+01 -0.14442E+01 21768 0.460E+00 0.601E+00 DAV: 3 -0.160636767669E+04 0.18745E-01 -0.97864E+00 22544 0.132E+00 0.684E+00 DAV: 4 -0.160638551631E+04 -0.17840E-01 -0.68283E+00 23096 0.884E-01 0.472E+00 DAV: 5 -0.160604682988E+04 0.33869E+00 -0.42250E-01 22824 0.693E-01 0.233E+00 DAV: 6 -0.160611197170E+04 -0.65142E-01 -0.15841E+00 22608 0.486E-01 0.394E+00 DAV: 7 -0.160603956464E+04 0.72407E-01 -0.27487E-01 22408 0.610E-01 0.264E+00 DAV: 8 -0.160600543115E+04 0.34133E-01 -0.17625E-01 22240 0.380E-01 0.749E-01 DAV: 9 -0.160600395229E+04 0.14789E-02 -0.13551E-02 21296 0.168E-01 0.250E-01 DAV: 10 -0.160600405015E+04 -0.97862E-04 -0.23167E-03 22368 0.802E-02 0.244E-01 DAV: 11 -0.160600360466E+04 0.44548E-03 -0.54238E-04 22024 0.461E-02 0.632E-02 DAV: 12 -0.160600361771E+04 -0.13048E-04 -0.25334E-04 22312 0.314E-02 0.652E-02 DAV: 13 -0.160600359666E+04 0.21051E-04 -0.68854E-05 21888 0.166E-02 0.318E-02 DAV: 14 -0.160600359344E+04 0.32244E-05 -0.15672E-05 12080 0.655E-03 34 F= -.16060036E+04 E0= -.16059623E+04 d E =-.147992E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.160602681935E+04 -0.23223E-01 -0.90334E+01 19152 0.139E+01 0.227E+00 DAV: 2 -0.160626400221E+04 -0.23718E+00 -0.27686E+00 21816 0.204E+00 0.303E+00 DAV: 3 -0.160629956963E+04 -0.35567E-01 -0.26203E+00 22712 0.583E-01 0.453E+00 DAV: 4 -0.160626486523E+04 0.34704E-01 -0.14737E+00 22928 0.427E-01 0.284E+00 DAV: 5 -0.160619345017E+04 0.71415E-01 -0.39915E-02 22784 0.321E-01 0.770E-01 DAV: 6 -0.160623068232E+04 -0.37232E-01 -0.33879E-01 22800 0.279E-01 0.251E+00 DAV: 7 -0.160618972081E+04 0.40962E-01 -0.27582E-01 22848 0.252E-01 0.545E-01 DAV: 8 -0.160619037030E+04 -0.64949E-03 -0.61869E-03 21864 0.127E-01 0.131E-01 DAV: 9 -0.160619045134E+04 -0.81039E-04 -0.16830E-03 21816 0.659E-02 0.755E-02 DAV: 10 -0.160619043174E+04 0.19599E-04 -0.19318E-04 22056 0.251E-02 0.511E-02 DAV: 11 -0.160619041367E+04 0.18074E-04 -0.64905E-05 20656 0.172E-02 0.348E-02 DAV: 12 -0.160619040406E+04 0.96035E-05 -0.32618E-05 15048 0.123E-02 35 F= -.16061904E+04 E0= -.16061499E+04 d E =-.166673E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.160673773277E+04 -0.54732E+00 -0.52844E+02 19152 0.335E+01 0.570E+00 DAV: 2 -0.160811860168E+04 -0.13809E+01 -0.16312E+01 21768 0.499E+00 0.551E+00 DAV: 3 -0.160810558514E+04 0.13017E-01 -0.58672E+00 22696 0.139E+00 0.495E+00 DAV: 4 -0.160798129665E+04 0.12429E+00 -0.39835E+00 22552 0.947E-01 0.322E+00 DAV: 5 -0.160779300477E+04 0.18829E+00 -0.15140E-01 22736 0.726E-01 0.303E+00 DAV: 6 -0.160782858514E+04 -0.35580E-01 -0.14438E+00 23408 0.483E-01 0.333E+00 DAV: 7 -0.160788150232E+04 -0.52917E-01 -0.10435E+00 23992 0.729E-01 0.515E+00 DAV: 8 -0.160778474070E+04 0.96762E-01 -0.14864E-01 24816 0.590E-01 0.288E+00 DAV: 9 -0.160774567977E+04 0.39061E-01 -0.12625E+00 24656 0.527E-01 0.130E+00 DAV: 10 -0.160773476024E+04 0.10920E-01 -0.31807E-02 21312 0.238E-01 0.486E-01 DAV: 11 -0.160773413086E+04 0.62938E-03 -0.41367E-03 21464 0.906E-02 0.400E-01 DAV: 12 -0.160773252281E+04 0.16081E-02 -0.30019E-03 24864 0.766E-02 0.302E-01 DAV: 13 -0.160773114510E+04 0.13777E-02 -0.20774E-03 22424 0.700E-02 0.161E-01 DAV: 14 -0.160773082880E+04 0.31631E-03 -0.54527E-04 22400 0.423E-02 0.101E-01 DAV: 15 -0.160773078025E+04 0.48550E-04 -0.85109E-05 20944 0.137E-02 0.710E-02 DAV: 16 -0.160773074818E+04 0.32061E-04 -0.63166E-05 15360 0.133E-02 0.822E-02 DAV: 17 -0.160773071301E+04 0.35176E-04 -0.20326E-04 20176 0.248E-02 0.705E-02 DAV: 18 -0.160773068948E+04 0.23529E-04 -0.70915E-05 15592 0.963E-03 0.261E-02 DAV: 19 -0.160773068342E+04 0.60559E-05 -0.99497E-06 11728 0.575E-03 36 F= -.16077307E+04 E0= -.16076932E+04 d E =-.154028E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.160773770701E+04 -0.70175E-02 -0.29628E+01 19152 0.790E+00 0.137E+00 DAV: 2 -0.160781781357E+04 -0.80107E-01 -0.97600E-01 22032 0.118E+00 0.189E+00 DAV: 3 -0.160782877688E+04 -0.10963E-01 -0.81788E-01 22976 0.335E-01 0.253E+00 DAV: 4 -0.160781503330E+04 0.13744E-01 -0.16196E-01 23040 0.256E-01 0.182E+00 DAV: 5 -0.160779254062E+04 0.22493E-01 -0.74973E-02 22856 0.163E-01 0.489E-01 DAV: 6 -0.160780008914E+04 -0.75485E-02 -0.90533E-02 23136 0.168E-01 0.102E+00 DAV: 7 -0.160779261906E+04 0.74701E-02 -0.74964E-02 22600 0.144E-01 0.348E-01 DAV: 8 -0.160779144562E+04 0.11734E-02 -0.37211E-03 24240 0.946E-02 0.113E-01 DAV: 9 -0.160779146505E+04 -0.19431E-04 -0.82388E-04 21808 0.467E-02 0.544E-02 DAV: 10 -0.160779146434E+04 0.71543E-06 -0.17385E-04 21968 0.208E-02 0.337E-02 DAV: 11 -0.160779145982E+04 0.45139E-05 -0.18914E-05 13320 0.101E-02 37 F= -.16077915E+04 E0= -.16077547E+04 d E =-.160106E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.160839271373E+04 -0.60125E+00 -0.25144E+02 19152 0.232E+01 0.402E+00 DAV: 2 -0.160914418834E+04 -0.75147E+00 -0.84186E+00 21976 0.349E+00 0.391E+00 DAV: 3 -0.160908804483E+04 0.56144E-01 -0.23688E-01 23024 0.102E+00 0.643E+00 DAV: 4 -0.160895902823E+04 0.12902E+00 -0.45274E+00 23280 0.680E-01 0.324E+00 DAV: 5 -0.160890382725E+04 0.55201E-01 -0.49807E-01 22944 0.446E-01 0.264E+00 DAV: 6 -0.160890801750E+04 -0.41902E-02 -0.15781E+00 23200 0.632E-01 0.275E+00 DAV: 7 -0.160887068895E+04 0.37329E-01 -0.62262E-02 21952 0.320E-01 0.206E+00 DAV: 8 -0.160885680413E+04 0.13885E-01 -0.59327E-02 22200 0.156E-01 0.116E+00 DAV: 9 -0.160885048865E+04 0.63155E-02 -0.11732E-02 22016 0.184E-01 0.492E-01 DAV: 10 -0.160884961539E+04 0.87327E-03 -0.38043E-03 22928 0.910E-02 0.268E-01 DAV: 11 -0.160884962375E+04 -0.83615E-05 -0.71523E-04 22304 0.472E-02 0.209E-01 DAV: 12 -0.160884934070E+04 0.28305E-03 -0.10471E-03 22272 0.484E-02 0.101E-01 DAV: 13 -0.160884927863E+04 0.62072E-04 -0.22211E-04 21944 0.253E-02 0.445E-02 DAV: 14 -0.160884927749E+04 0.11416E-05 -0.42538E-05 18328 0.104E-02 38 F= -.16088493E+04 E0= -.16088137E+04 d E =-.105782E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.160886381907E+04 -0.14540E-01 -0.71184E+01 19152 0.123E+01 0.212E+00 DAV: 2 -0.160909640161E+04 -0.23258E+00 -0.25026E+00 22040 0.185E+00 0.334E+00 DAV: 3 -0.160906835337E+04 0.28048E-01 -0.13416E+00 23008 0.550E-01 0.388E+00 DAV: 4 -0.160902945257E+04 0.38901E-01 -0.99747E-01 22944 0.381E-01 0.214E+00 DAV: 5 -0.160899913056E+04 0.30322E-01 -0.19280E-01 22936 0.242E-01 0.105E+00 DAV: 6 -0.160899563511E+04 0.34954E-02 -0.78751E-02 23296 0.312E-01 0.670E-01 DAV: 7 -0.160899632131E+04 -0.68620E-03 -0.26765E-02 22576 0.170E-01 0.707E-01 DAV: 8 -0.160899170944E+04 0.46119E-02 -0.97893E-03 22232 0.101E-01 0.387E-01 DAV: 9 -0.160899079889E+04 0.91054E-03 -0.31341E-03 23504 0.102E-01 0.181E-01 DAV: 10 -0.160899075071E+04 0.48186E-04 -0.14725E-03 23040 0.557E-02 0.157E-01 DAV: 11 -0.160899065511E+04 0.95601E-04 -0.20225E-04 21560 0.217E-02 0.745E-02 DAV: 12 -0.160899063461E+04 0.20493E-04 -0.98742E-05 20712 0.166E-02 0.220E-02 DAV: 13 -0.160899063607E+04 -0.14548E-05 -0.17738E-05 12176 0.799E-03 39 F= -.16089906E+04 E0= -.16089559E+04 d E =-.119918E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.160958072622E+04 -0.59009E+00 -0.18508E+02 19152 0.198E+01 0.323E+00 DAV: 2 -0.161012715201E+04 -0.54643E+00 -0.60873E+00 22088 0.290E+00 0.381E+00 DAV: 3 -0.161008270326E+04 0.44449E-01 -0.18173E-01 23040 0.848E-01 0.517E+00 DAV: 4 -0.161000455800E+04 0.78145E-01 -0.22359E+00 22984 0.547E-01 0.305E+00 DAV: 5 -0.160993800131E+04 0.66557E-01 -0.25191E-01 22760 0.334E-01 0.165E+00 DAV: 6 -0.160995787287E+04 -0.19872E-01 -0.73435E-01 22360 0.500E-01 0.280E+00 DAV: 7 -0.160993555086E+04 0.22322E-01 -0.19055E-01 22240 0.248E-01 0.192E+00 DAV: 8 -0.160991661275E+04 0.18938E-01 -0.31560E-02 23592 0.184E-01 0.340E-01 DAV: 9 -0.160991792631E+04 -0.13136E-02 -0.40837E-03 21408 0.951E-02 0.278E-01 DAV: 10 -0.160991767740E+04 0.24892E-03 -0.72397E-04 24032 0.423E-02 0.151E-01 DAV: 11 -0.160991776903E+04 -0.91635E-04 -0.16257E-03 23928 0.407E-02 0.208E-01 DAV: 12 -0.160991755400E+04 0.21503E-03 -0.63794E-04 23008 0.250E-02 0.445E-02 DAV: 13 -0.160991755529E+04 -0.12907E-05 -0.66702E-05 19936 0.145E-02 40 F= -.16099176E+04 E0= -.16098833E+04 d E =-.926919E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.160976952000E+04 0.14803E+00 -0.28999E+02 19152 0.247E+01 0.404E+00 DAV: 2 -0.161057728793E+04 -0.80777E+00 -0.92330E+00 21944 0.363E+00 0.421E+00 DAV: 3 -0.161053134640E+04 0.45942E-01 -0.51377E-01 22752 0.104E+00 0.536E+00 DAV: 4 -0.161044599262E+04 0.85354E-01 -0.27993E+00 22768 0.664E-01 0.384E+00 DAV: 5 -0.161032733676E+04 0.11866E+00 -0.23551E-01 22800 0.414E-01 0.180E+00 DAV: 6 -0.161036071237E+04 -0.33376E-01 -0.91652E-01 23424 0.436E-01 0.273E+00 DAV: 7 -0.161032059920E+04 0.40113E-01 -0.55548E-01 22400 0.467E-01 0.218E+00 DAV: 8 -0.161030010855E+04 0.20491E-01 -0.88896E-02 22408 0.251E-01 0.316E-01 DAV: 9 -0.161030135891E+04 -0.12504E-02 -0.88736E-03 21456 0.127E-01 0.448E-01 DAV: 10 -0.161030154258E+04 -0.18367E-03 -0.10529E-02 23592 0.872E-02 0.520E-01 DAV: 11 -0.161030041623E+04 0.11263E-02 -0.42997E-03 23616 0.583E-02 0.166E-01 DAV: 12 -0.161030024512E+04 0.17111E-03 -0.35213E-04 22544 0.354E-02 0.358E-02 DAV: 13 -0.161030025745E+04 -0.12331E-04 -0.12674E-04 21856 0.184E-02 0.421E-02 DAV: 14 -0.161030025378E+04 0.36745E-05 -0.16661E-05 12592 0.750E-03 41 F= -.16103003E+04 E0= -.16102667E+04 d E =-.130962E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.161075433712E+04 -0.45408E+00 -0.28048E+02 19152 0.244E+01 0.392E+00 DAV: 2 -0.161159426716E+04 -0.83993E+00 -0.97424E+00 21800 0.358E+00 0.714E+00 DAV: 3 -0.161148155903E+04 0.11271E+00 -0.70873E+00 23208 0.957E-01 0.467E+00 DAV: 4 -0.161140020149E+04 0.81358E-01 -0.24923E+00 22888 0.664E-01 0.445E+00 DAV: 5 -0.161129762136E+04 0.10258E+00 -0.16662E+00 23248 0.492E-01 0.215E+00 DAV: 6 -0.161128413449E+04 0.13487E-01 -0.37061E-01 22320 0.401E-01 0.186E+00 DAV: 7 -0.161126717719E+04 0.16957E-01 -0.31313E-01 22344 0.307E-01 0.105E+00 DAV: 8 -0.161125569734E+04 0.11480E-01 -0.28461E-02 21656 0.279E-01 0.301E-01 DAV: 9 -0.161125561104E+04 0.86294E-04 -0.89220E-03 22064 0.142E-01 0.161E-01 DAV: 10 -0.161125531889E+04 0.29216E-03 -0.10960E-03 22056 0.601E-02 0.119E-01 DAV: 11 -0.161125478327E+04 0.53562E-03 -0.49522E-04 24952 0.631E-02 0.817E-02 DAV: 12 -0.161125417951E+04 0.60376E-03 -0.13386E-03 25560 0.112E-01 0.467E-02 DAV: 13 -0.161125412698E+04 0.52530E-04 -0.93216E-04 21952 0.605E-02 0.382E-02 DAV: 14 -0.161125411218E+04 0.14796E-04 -0.15567E-04 21232 0.186E-02 0.333E-02 DAV: 15 -0.161125407167E+04 0.40516E-04 -0.59871E-05 19344 0.251E-02 0.205E-02 DAV: 16 -0.161125406058E+04 0.11087E-04 -0.54603E-05 19960 0.156E-02 0.112E-02 DAV: 17 -0.161125405977E+04 0.80935E-06 -0.17514E-05 12616 0.962E-03 42 F= -.16112541E+04 E0= -.16112162E+04 d E =-.953806E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.161124147066E+04 0.12590E-01 -0.89233E+01 19152 0.138E+01 0.220E+00 DAV: 2 -0.161151745811E+04 -0.27599E+00 -0.29461E+00 21888 0.201E+00 0.470E+00 DAV: 3 -0.161146610215E+04 0.51356E-01 -0.24151E+00 23000 0.537E-01 0.290E+00 DAV: 4 -0.161147027688E+04 -0.41747E-02 -0.70030E-01 23160 0.405E-01 0.335E+00 DAV: 5 -0.161140370849E+04 0.66568E-01 -0.60372E-01 23288 0.297E-01 0.918E-01 DAV: 6 -0.161141817157E+04 -0.14463E-01 -0.17927E-01 22176 0.257E-01 0.152E+00 DAV: 7 -0.161139829829E+04 0.19873E-01 -0.15445E-01 22128 0.217E-01 0.419E-01 DAV: 8 -0.161139791944E+04 0.37885E-03 -0.64766E-03 21496 0.124E-01 0.105E-01 DAV: 9 -0.161139801673E+04 -0.97289E-04 -0.11937E-03 21832 0.561E-02 0.724E-02 DAV: 10 -0.161139800015E+04 0.16577E-04 -0.12784E-04 21832 0.186E-02 0.452E-02 DAV: 11 -0.161139797639E+04 0.23763E-04 -0.64741E-05 20920 0.185E-02 0.165E-02 DAV: 12 -0.161139797508E+04 0.13090E-05 -0.28448E-05 14296 0.119E-02 43 F= -.16113980E+04 E0= -.16113618E+04 d E =-.109772E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.161172245690E+04 -0.32448E+00 -0.25406E+02 19264 0.232E+01 0.376E+00 DAV: 2 -0.161254051467E+04 -0.81806E+00 -0.96963E+00 21840 0.341E+00 0.785E+00 DAV: 3 -0.161236898125E+04 0.17153E+00 -0.78996E+00 23112 0.917E-01 0.432E+00 DAV: 4 -0.161221623630E+04 0.15274E+00 -0.26413E-01 22304 0.599E-01 0.197E+00 DAV: 5 -0.161225612515E+04 -0.39889E-01 -0.11974E+00 22424 0.423E-01 0.307E+00 DAV: 6 -0.161218844303E+04 0.67682E-01 -0.84453E-01 22696 0.402E-01 0.114E+00 DAV: 7 -0.161220656044E+04 -0.18117E-01 -0.14946E-01 22584 0.313E-01 0.179E+00 DAV: 8 -0.161217830537E+04 0.28255E-01 -0.17719E-01 22712 0.265E-01 0.295E-01 DAV: 9 -0.161217908556E+04 -0.78019E-03 -0.46780E-03 21488 0.980E-02 0.135E-01 DAV: 10 -0.161217900478E+04 0.80776E-04 -0.77522E-04 22048 0.438E-02 0.772E-02 DAV: 11 -0.161217892676E+04 0.78017E-04 -0.15248E-04 22112 0.299E-02 0.434E-02 DAV: 12 -0.161217890434E+04 0.22422E-04 -0.10997E-04 23584 0.257E-02 0.249E-02 DAV: 13 -0.161217890202E+04 0.23181E-05 -0.62087E-05 20616 0.139E-02 44 F= -.16121789E+04 E0= -.16121450E+04 d E =-.780927E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.161217209255E+04 0.68118E-02 -0.42062E+01 19264 0.945E+00 0.153E+00 DAV: 2 -0.161231341084E+04 -0.14132E+00 -0.14243E+00 21928 0.138E+00 0.377E+00 DAV: 3 -0.161227561603E+04 0.37795E-01 -0.10900E+00 22936 0.373E-01 0.214E+00 DAV: 4 -0.161226096491E+04 0.14651E-01 -0.17117E-01 22464 0.265E-01 0.145E+00 DAV: 5 -0.161224986176E+04 0.11103E-01 -0.15030E-01 22488 0.171E-01 0.713E-01 DAV: 6 -0.161224677903E+04 0.30827E-02 -0.41655E-02 22080 0.177E-01 0.415E-01 DAV: 7 -0.161224749479E+04 -0.71576E-03 -0.18237E-02 22160 0.120E-01 0.423E-01 DAV: 8 -0.161224542569E+04 0.20691E-02 -0.28176E-03 21720 0.717E-02 0.707E-02 DAV: 9 -0.161224546382E+04 -0.38138E-04 -0.44743E-04 21856 0.325E-02 0.459E-02 DAV: 10 -0.161224544718E+04 0.16646E-04 -0.44732E-05 17912 0.137E-02 0.291E-02 DAV: 11 -0.161224543167E+04 0.15509E-04 -0.35076E-05 17568 0.163E-02 0.960E-03 DAV: 12 -0.161224543043E+04 0.12370E-05 -0.21950E-05 13304 0.959E-03 45 F= -.16122454E+04 E0= -.16122128E+04 d E =-.847455E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.161250389990E+04 -0.25847E+00 -0.29334E+02 19264 0.249E+01 0.408E+00 DAV: 2 -0.161327985350E+04 -0.77595E+00 -0.92549E+00 21728 0.357E+00 0.669E+00 DAV: 3 -0.161332637677E+04 -0.46523E-01 -0.83891E+00 23360 0.975E-01 0.510E+00 DAV: 4 -0.161306096562E+04 0.26541E+00 -0.15428E+00 22576 0.615E-01 0.194E+00 DAV: 5 -0.161311281655E+04 -0.51851E-01 -0.10619E+00 22208 0.480E-01 0.304E+00 DAV: 6 -0.161305956506E+04 0.53251E-01 -0.86735E-01 22680 0.370E-01 0.179E+00 DAV: 7 -0.161302541092E+04 0.34154E-01 -0.14197E-01 22640 0.297E-01 0.813E-01 DAV: 8 -0.161302190926E+04 0.35017E-02 -0.45454E-02 21920 0.339E-01 0.653E-01 DAV: 9 -0.161301835112E+04 0.35581E-02 -0.22311E-02 22160 0.209E-01 0.243E-01 DAV: 10 -0.161301798202E+04 0.36910E-03 -0.42227E-03 21632 0.868E-02 0.167E-01 DAV: 11 -0.161301813206E+04 -0.15003E-03 -0.20429E-03 21960 0.621E-02 0.226E-01 DAV: 12 -0.161301752165E+04 0.61041E-03 -0.88917E-04 23184 0.484E-02 0.421E-02 DAV: 13 -0.161301755495E+04 -0.33309E-04 -0.19492E-04 22112 0.251E-02 0.588E-02 DAV: 14 -0.161301752777E+04 0.27187E-04 -0.51786E-05 15216 0.116E-02 0.323E-02 DAV: 15 -0.161301752047E+04 0.72959E-05 -0.17835E-05 12376 0.697E-03 46 F= -.16130175E+04 E0= -.16129912E+04 d E =-.772090E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.161299165282E+04 0.25875E-01 -0.66914E+01 19264 0.119E+01 0.197E+00 DAV: 2 -0.161317089396E+04 -0.17924E+00 -0.18636E+00 21744 0.170E+00 0.345E+00 DAV: 3 -0.161318820355E+04 -0.17310E-01 -0.16893E+00 23312 0.474E-01 0.322E+00 DAV: 4 -0.161311790488E+04 0.70299E-01 -0.14579E-01 22952 0.336E-01 0.117E+00 DAV: 5 -0.161312063753E+04 -0.27326E-02 -0.26133E-01 22576 0.215E-01 0.126E+00 DAV: 6 -0.161311553900E+04 0.50985E-02 -0.90240E-02 22688 0.207E-01 0.885E-01 DAV: 7 -0.161310869851E+04 0.68405E-02 -0.11644E-02 22272 0.152E-01 0.441E-01 DAV: 8 -0.161310809824E+04 0.60027E-03 -0.87853E-03 22400 0.137E-01 0.351E-01 DAV: 9 -0.161310716129E+04 0.93694E-03 -0.37087E-03 23960 0.866E-02 0.991E-02 DAV: 10 -0.161310713572E+04 0.25572E-04 -0.39352E-04 21824 0.321E-02 0.536E-02 DAV: 11 -0.161310711659E+04 0.19132E-04 -0.12053E-04 21360 0.200E-02 0.297E-02 DAV: 12 -0.161310710655E+04 0.10035E-04 -0.29606E-05 15392 0.150E-02 0.173E-02 DAV: 13 -0.161310710581E+04 0.74200E-06 -0.26624E-05 12936 0.889E-03 47 F= -.16131071E+04 E0= -.16130805E+04 d E =-.861675E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.161313969076E+04 -0.32584E-01 -0.35156E+02 19264 0.273E+01 0.426E+00 DAV: 2 -0.161422981982E+04 -0.10901E+01 -0.12605E+01 21984 0.396E+00 0.778E+00 DAV: 3 -0.161409312279E+04 0.13670E+00 -0.88966E+00 23152 0.109E+00 0.497E+00 DAV: 4 -0.161386208430E+04 0.23104E+00 -0.11067E+00 22712 0.757E-01 0.293E+00 DAV: 5 -0.161385368195E+04 0.84023E-02 -0.16450E+00 22728 0.565E-01 0.268E+00 DAV: 6 -0.161382513782E+04 0.28544E-01 -0.69707E-01 22352 0.430E-01 0.167E+00 DAV: 7 -0.161378594347E+04 0.39194E-01 -0.37639E-02 22168 0.328E-01 0.936E-01 DAV: 8 -0.161378056118E+04 0.53823E-02 -0.44367E-02 21704 0.286E-01 0.338E-01 DAV: 9 -0.161378066471E+04 -0.10353E-03 -0.88330E-03 21976 0.129E-01 0.186E-01 DAV: 10 -0.161378050527E+04 0.15944E-03 -0.11094E-03 21816 0.455E-02 0.104E-01 DAV: 11 -0.161378044502E+04 0.60253E-04 -0.61795E-04 21936 0.403E-02 0.105E-01 DAV: 12 -0.161378038108E+04 0.63931E-04 -0.59119E-04 22680 0.278E-02 0.729E-02 DAV: 13 -0.161378035546E+04 0.25622E-04 -0.16822E-04 21592 0.155E-02 0.292E-02 DAV: 14 -0.161378035115E+04 0.43163E-05 -0.42671E-05 13376 0.768E-03 48 F= -.16137804E+04 E0= -.16137557E+04 d E =-.673245E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.161377830420E+04 0.20513E-02 -0.72620E+00 19152 0.392E+00 0.610E-01 DAV: 2 -0.161380213909E+04 -0.23835E-01 -0.24228E-01 22040 0.567E-01 0.130E+00 DAV: 3 -0.161379745067E+04 0.46884E-02 -0.16093E-01 22760 0.159E-01 0.101E+00 DAV: 4 -0.161379675930E+04 0.69136E-03 -0.65576E-02 22736 0.120E-01 0.924E-01 DAV: 5 -0.161379184311E+04 0.49162E-02 -0.50002E-02 22816 0.897E-02 0.315E-01 DAV: 6 -0.161379218581E+04 -0.34270E-03 -0.36265E-03 22104 0.625E-02 0.304E-01 DAV: 7 -0.161379117454E+04 0.10113E-02 -0.20541E-03 21720 0.641E-02 0.109E-01 DAV: 8 -0.161379114138E+04 0.33158E-04 -0.77480E-04 21864 0.344E-02 0.321E-02 DAV: 9 -0.161379114484E+04 -0.34597E-05 -0.83486E-05 21584 0.143E-02 49 F= -.16137911E+04 E0= -.16137664E+04 d E =-.684039E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.161383367387E+04 -0.42532E-01 -0.31716E+02 19264 0.258E+01 0.413E+00 DAV: 2 -0.161474250691E+04 -0.90883E+00 -0.10355E+01 21920 0.375E+00 0.580E+00 DAV: 3 -0.161474733306E+04 -0.48261E-02 -0.57455E+00 23088 0.104E+00 0.554E+00 DAV: 4 -0.161456794162E+04 0.17939E+00 -0.42135E+00 23144 0.703E-01 0.447E+00 DAV: 5 -0.161446328627E+04 0.10466E+00 -0.19397E+00 23360 0.537E-01 0.257E+00 DAV: 6 -0.161442753339E+04 0.35753E-01 -0.31894E-01 22152 0.406E-01 0.156E+00 DAV: 7 -0.161442273006E+04 0.48033E-02 -0.30737E-01 22640 0.336E-01 0.121E+00 DAV: 8 -0.161440138596E+04 0.21344E-01 -0.43708E-02 21632 0.350E-01 0.308E-01 DAV: 9 -0.161440176755E+04 -0.38159E-03 -0.12944E-02 22000 0.180E-01 0.236E-01 DAV: 10 -0.161440144192E+04 0.32563E-03 -0.16283E-03 21600 0.588E-02 0.141E-01 DAV: 11 -0.161440123324E+04 0.20868E-03 -0.54899E-04 22000 0.410E-02 0.853E-02 DAV: 12 -0.161440117015E+04 0.63085E-04 -0.52778E-04 22736 0.463E-02 0.839E-02 DAV: 13 -0.161440114271E+04 0.27440E-04 -0.24973E-04 21760 0.224E-02 0.534E-02 DAV: 14 -0.161440112586E+04 0.16847E-04 -0.27926E-05 14016 0.887E-03 0.335E-02 DAV: 15 -0.161440111344E+04 0.12420E-04 -0.31991E-05 14232 0.107E-02 0.680E-03 DAV: 16 -0.161440111425E+04 -0.80479E-06 -0.14411E-05 12544 0.791E-03 50 F= -.16144011E+04 E0= -.16143679E+04 d E =-.609969E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.161439153166E+04 0.95818E-02 -0.15238E+01 19152 0.567E+00 0.902E-01 DAV: 2 -0.161444105186E+04 -0.49520E-01 -0.55213E-01 22016 0.816E-01 0.170E+00 DAV: 3 -0.161443081501E+04 0.10237E-01 -0.41571E-01 22792 0.235E-01 0.127E+00 DAV: 4 -0.161443277187E+04 -0.19569E-02 -0.14151E-01 23192 0.169E-01 0.163E+00 DAV: 5 -0.161441984013E+04 0.12932E-01 -0.12088E-01 23272 0.126E-01 0.462E-01 DAV: 6 -0.161442057771E+04 -0.73758E-03 -0.96386E-03 22312 0.916E-02 0.410E-01 DAV: 7 -0.161441872469E+04 0.18530E-02 -0.56613E-03 21904 0.836E-02 0.192E-01 DAV: 8 -0.161441857029E+04 0.15440E-03 -0.17561E-03 21784 0.491E-02 0.446E-02 DAV: 9 -0.161441858722E+04 -0.16931E-04 -0.18041E-04 21840 0.201E-02 0.344E-02 DAV: 10 -0.161441858181E+04 0.54108E-05 -0.24084E-05 12288 0.673E-03 51 F= -.16144186E+04 E0= -.16143855E+04 d E =-.627437E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.161455025998E+04 -0.13167E+00 -0.26230E+02 19264 0.235E+01 0.378E+00 DAV: 2 -0.161521313998E+04 -0.66288E+00 -0.77356E+00 21720 0.338E+00 0.472E+00 DAV: 3 -0.161523807165E+04 -0.24932E-01 -0.52758E+00 23040 0.969E-01 0.419E+00 DAV: 4 -0.161509044609E+04 0.14763E+00 -0.18767E+00 22808 0.595E-01 0.306E+00 DAV: 5 -0.161505115756E+04 0.39289E-01 -0.58858E-01 22800 0.373E-01 0.242E+00 DAV: 6 -0.161504313457E+04 0.80230E-02 -0.41487E-01 22808 0.372E-01 0.194E+00 DAV: 7 -0.161501328734E+04 0.29847E-01 -0.31345E-01 22320 0.321E-01 0.102E+00 DAV: 8 -0.161500587151E+04 0.74158E-02 -0.32747E-02 21704 0.273E-01 0.199E-01 DAV: 9 -0.161500646370E+04 -0.59219E-03 -0.71203E-03 21984 0.127E-01 0.146E-01 DAV: 10 -0.161500636768E+04 0.96014E-04 -0.67597E-04 21600 0.392E-02 0.947E-02 DAV: 11 -0.161500629794E+04 0.69743E-04 -0.21041E-04 21952 0.264E-02 0.437E-02 DAV: 12 -0.161500627471E+04 0.23232E-04 -0.10218E-04 21600 0.246E-02 0.350E-02 DAV: 13 -0.161500626683E+04 0.78746E-05 -0.82567E-05 21784 0.183E-02 52 F= -.16150063E+04 E0= -.16149736E+04 d E =-.587685E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.161499605765E+04 0.10217E-01 -0.32215E+01 19264 0.822E+00 0.132E+00 DAV: 2 -0.161507947514E+04 -0.83417E-01 -0.98192E-01 21736 0.118E+00 0.191E+00 DAV: 3 -0.161508026154E+04 -0.78640E-03 -0.72893E-01 23096 0.340E-01 0.175E+00 DAV: 4 -0.161505473551E+04 0.25526E-01 -0.90578E-02 22680 0.206E-01 0.822E-01 DAV: 5 -0.161505594490E+04 -0.12094E-02 -0.69863E-02 22560 0.117E-01 0.948E-01 DAV: 6 -0.161505309729E+04 0.28476E-02 -0.25264E-02 22112 0.143E-01 0.503E-01 DAV: 7 -0.161505120076E+04 0.18965E-02 -0.14037E-02 22216 0.111E-01 0.321E-01 DAV: 8 -0.161505040507E+04 0.79569E-03 -0.39498E-03 21600 0.671E-02 0.759E-02 DAV: 9 -0.161505043179E+04 -0.26722E-04 -0.54466E-04 21728 0.354E-02 0.425E-02 DAV: 10 -0.161505042348E+04 0.83075E-05 -0.56041E-05 19112 0.130E-02 53 F= -.16150504E+04 E0= -.16150180E+04 d E =-.631842E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.161507286852E+04 -0.22437E-01 -0.27527E+02 19200 0.240E+01 0.370E+00 DAV: 2 -0.161589346115E+04 -0.82059E+00 -0.96607E+00 21968 0.344E+00 0.757E+00 DAV: 3 -0.161573770361E+04 0.15576E+00 -0.74070E+00 22976 0.923E-01 0.418E+00 DAV: 4 -0.161561974666E+04 0.11796E+00 -0.30797E-01 22192 0.590E-01 0.268E+00 DAV: 5 -0.161561798933E+04 0.17573E-02 -0.13292E+00 22384 0.426E-01 0.251E+00 DAV: 6 -0.161557993097E+04 0.38058E-01 -0.60745E-01 22240 0.381E-01 0.128E+00 DAV: 7 -0.161557591066E+04 0.40203E-02 -0.12210E-01 22320 0.283E-01 0.124E+00 DAV: 8 -0.161556169323E+04 0.14217E-01 -0.96125E-02 22008 0.284E-01 0.475E-01 DAV: 9 -0.161555913111E+04 0.25621E-02 -0.11611E-02 22176 0.176E-01 0.168E-01 DAV: 10 -0.161555875109E+04 0.38002E-03 -0.22279E-03 22120 0.912E-02 0.141E-01 DAV: 11 -0.161555873706E+04 0.14028E-04 -0.97213E-04 24192 0.477E-02 0.103E-01 DAV: 12 -0.161555842306E+04 0.31400E-03 -0.43743E-04 22040 0.515E-02 0.510E-02 DAV: 13 -0.161555838996E+04 0.33099E-04 -0.17590E-04 22664 0.262E-02 0.273E-02 DAV: 14 -0.161555838225E+04 0.77092E-05 -0.73855E-05 20720 0.216E-02 54 F= -.16155584E+04 E0= -.16155332E+04 d E =-.507959E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.161555623681E+04 0.21532E-02 -0.75250E+00 19184 0.397E+00 0.613E-01 DAV: 2 -0.161557872436E+04 -0.22488E-01 -0.23200E-01 22064 0.567E-01 0.129E+00 DAV: 3 -0.161557490512E+04 0.38192E-02 -0.13287E-01 22772 0.155E-01 0.945E-01 DAV: 4 -0.161557268200E+04 0.22231E-02 -0.50492E-02 22360 0.109E-01 0.692E-01 DAV: 5 -0.161556977236E+04 0.29096E-02 -0.27407E-02 22456 0.709E-02 0.225E-01 DAV: 6 -0.161556978946E+04 -0.17098E-04 -0.26654E-03 21688 0.794E-02 0.213E-01 DAV: 7 -0.161556953362E+04 0.25584E-03 -0.28067E-03 22040 0.499E-02 0.141E-01 DAV: 8 -0.161556935023E+04 0.18339E-03 -0.76124E-04 22000 0.298E-02 0.378E-02 DAV: 9 -0.161556935565E+04 -0.54144E-05 -0.10621E-04 22432 0.178E-02 0.340E-02 DAV: 10 -0.161556934461E+04 0.11033E-04 -0.22940E-05 13928 0.942E-03 0.149E-02 DAV: 11 -0.161556934188E+04 0.27307E-05 -0.72189E-06 11800 0.573E-03 55 F= -.16155693E+04 E0= -.16155442E+04 d E =-.518918E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.161560952712E+04 -0.40183E-01 -0.25633E+02 19264 0.232E+01 0.361E+00 DAV: 2 -0.161661509748E+04 -0.10056E+01 -0.11708E+01 22088 0.333E+00 0.869E+00 DAV: 3 -0.161616572298E+04 0.44937E+00 -0.74346E+00 22968 0.994E-01 0.325E+00 DAV: 4 -0.161608975081E+04 0.75972E-01 -0.48562E-01 21912 0.551E-01 0.152E+00 DAV: 5 -0.161610710061E+04 -0.17350E-01 -0.29274E-01 22128 0.424E-01 0.177E+00 DAV: 6 -0.161606993141E+04 0.37169E-01 -0.18378E-01 22104 0.323E-01 0.114E+00 DAV: 7 -0.161607783790E+04 -0.79065E-02 -0.30890E-01 22680 0.218E-01 0.163E+00 DAV: 8 -0.161606140429E+04 0.16434E-01 -0.16398E-01 22256 0.229E-01 0.341E-01 DAV: 9 -0.161606179215E+04 -0.38786E-03 -0.68478E-03 21544 0.105E-01 0.136E-01 DAV: 10 -0.161606173351E+04 0.58642E-04 -0.99689E-04 21736 0.452E-02 0.784E-02 DAV: 11 -0.161606170944E+04 0.24062E-04 -0.20891E-04 21904 0.235E-02 0.398E-02 DAV: 12 -0.161606169155E+04 0.17891E-04 -0.63027E-05 20576 0.195E-02 0.219E-02 DAV: 13 -0.161606168934E+04 0.22106E-05 -0.63307E-05 20880 0.134E-02 56 F= -.16160617E+04 E0= -.16160390E+04 d E =-.492347E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.161602372046E+04 0.37971E-01 -0.50628E+01 19152 0.103E+01 0.162E+00 DAV: 2 -0.161624500294E+04 -0.22128E+00 -0.24895E+00 22088 0.148E+00 0.526E+00 DAV: 3 -0.161612684943E+04 0.11815E+00 -0.19947E+00 22824 0.453E-01 0.165E+00 DAV: 4 -0.161612818452E+04 -0.13351E-02 -0.23882E-01 22352 0.272E-01 0.146E+00 DAV: 5 -0.161611416562E+04 0.14019E-01 -0.16569E-01 22664 0.179E-01 0.642E-01 DAV: 6 -0.161611898346E+04 -0.48178E-02 -0.28907E-02 22128 0.184E-01 0.841E-01 DAV: 7 -0.161611104816E+04 0.79353E-02 -0.12543E-02 22256 0.138E-01 0.199E-01 DAV: 8 -0.161611098290E+04 0.65257E-04 -0.22386E-03 21512 0.738E-02 0.872E-02 DAV: 9 -0.161611089745E+04 0.85456E-04 -0.56815E-04 22184 0.431E-02 0.590E-02 DAV: 10 -0.161611076876E+04 0.12868E-03 -0.15724E-04 22000 0.290E-02 0.558E-02 DAV: 11 -0.161611078836E+04 -0.19595E-04 -0.51328E-05 19160 0.962E-03 0.553E-02 DAV: 12 -0.161611080969E+04 -0.21330E-04 -0.77146E-06 11880 0.627E-03 0.529E-02 DAV: 13 -0.161611107788E+04 -0.26819E-03 -0.11550E-03 24864 0.753E-02 0.796E-02 DAV: 14 -0.161611119898E+04 -0.12110E-03 -0.49418E-04 22176 0.366E-02 0.112E-01 DAV: 15 -0.161611129498E+04 -0.96003E-04 -0.56331E-05 20360 0.258E-02 0.128E-01 DAV: 16 -0.161611129873E+04 -0.37540E-05 -0.49489E-05 18704 0.869E-03 57 F= -.16161113E+04 E0= -.16160892E+04 d E =-.541957E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.161606533008E+04 0.45965E-01 -0.29897E+02 19264 0.250E+01 0.393E+00 DAV: 2 -0.161714511683E+04 -0.10798E+01 -0.12566E+01 22000 0.362E+00 0.911E+00 DAV: 3 -0.161672913223E+04 0.41598E+00 -0.94105E+00 23104 0.110E+00 0.362E+00 DAV: 4 -0.161675720415E+04 -0.28072E-01 -0.31293E-01 22536 0.705E-01 0.456E+00 DAV: 5 -0.161660593852E+04 0.15127E+00 -0.15471E+00 22424 0.511E-01 0.176E+00 DAV: 6 -0.161662904877E+04 -0.23110E-01 -0.48460E-01 22120 0.420E-01 0.163E+00 DAV: 7 -0.161658406607E+04 0.44983E-01 -0.55492E-02 21704 0.368E-01 0.629E-01 DAV: 8 -0.161658279390E+04 0.12722E-02 -0.25210E-02 22152 0.249E-01 0.347E-01 DAV: 9 -0.161658255658E+04 0.23733E-03 -0.64333E-03 21848 0.117E-01 0.185E-01 DAV: 10 -0.161658234039E+04 0.21619E-03 -0.11706E-03 21792 0.435E-02 0.112E-01 DAV: 11 -0.161658247987E+04 -0.13948E-03 -0.14636E-03 22368 0.539E-02 0.196E-01 DAV: 12 -0.161658212357E+04 0.35630E-03 -0.10078E-03 23256 0.375E-02 0.501E-02 DAV: 13 -0.161658210834E+04 0.15225E-04 -0.15006E-04 21656 0.227E-02 0.161E-02 DAV: 14 -0.161658210885E+04 -0.51237E-06 -0.43220E-05 15960 0.105E-02 58 F= -.16165821E+04 E0= -.16165481E+04 d E =-.470810E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.161652602491E+04 0.56083E-01 -0.52827E+01 19152 0.105E+01 0.164E+00 DAV: 2 -0.161677391668E+04 -0.24789E+00 -0.29302E+00 22144 0.153E+00 0.576E+00 DAV: 3 -0.161663375249E+04 0.14016E+00 -0.24876E+00 22848 0.487E-01 0.174E+00 DAV: 4 -0.161666192871E+04 -0.28176E-01 -0.67148E-01 22488 0.319E-01 0.247E+00 DAV: 5 -0.161662007829E+04 0.41850E-01 -0.40058E-01 22688 0.238E-01 0.742E-01 DAV: 6 -0.161662556031E+04 -0.54820E-02 -0.51643E-02 22048 0.162E-01 0.821E-01 DAV: 7 -0.161661829867E+04 0.72616E-02 -0.22346E-02 21840 0.188E-01 0.443E-01 DAV: 8 -0.161661777728E+04 0.52139E-03 -0.51587E-03 21656 0.864E-02 0.194E-01 DAV: 9 -0.161661765658E+04 0.12070E-03 -0.78642E-04 21800 0.335E-02 0.777E-02 DAV: 10 -0.161661764586E+04 0.10722E-04 -0.13775E-04 22120 0.159E-02 0.266E-02 DAV: 11 -0.161661764053E+04 0.53229E-05 -0.31708E-05 15208 0.151E-02 59 F= -.16166176E+04 E0= -.16165819E+04 d E =-.506342E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.161645390318E+04 0.16374E+00 -0.33037E+02 19152 0.262E+01 0.403E+00 DAV: 2 -0.161754977820E+04 -0.10959E+01 -0.12904E+01 21960 0.377E+00 0.862E+00 DAV: 3 -0.161722439759E+04 0.32538E+00 -0.97994E+00 23096 0.111E+00 0.386E+00 DAV: 4 -0.161730325050E+04 -0.78853E-01 -0.36521E+00 22840 0.762E-01 0.542E+00 DAV: 5 -0.161708442178E+04 0.21883E+00 -0.17302E+00 22936 0.574E-01 0.219E+00 DAV: 6 -0.161710307791E+04 -0.18656E-01 -0.58392E-01 22168 0.444E-01 0.181E+00 DAV: 7 -0.161706812464E+04 0.34953E-01 -0.26607E-01 22328 0.458E-01 0.204E+00 DAV: 8 -0.161704869280E+04 0.19432E-01 -0.14922E-01 22352 0.263E-01 0.310E-01 DAV: 9 -0.161704999098E+04 -0.12982E-02 -0.63828E-03 21072 0.109E-01 0.278E-01 DAV: 10 -0.161704983437E+04 0.15661E-03 -0.55424E-03 22784 0.513E-02 0.193E-01 DAV: 11 -0.161704980746E+04 0.26908E-04 -0.38498E-03 22152 0.529E-02 0.173E-01 DAV: 12 -0.161704958483E+04 0.22264E-03 -0.52961E-04 22024 0.295E-02 0.677E-02 DAV: 13 -0.161704957256E+04 0.12269E-04 -0.14648E-04 21616 0.149E-02 0.367E-02 DAV: 14 -0.161704956747E+04 0.50865E-05 -0.55122E-05 13160 0.584E-03 60 F= -.16170496E+04 E0= -.16170116E+04 d E =-.431927E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.161703073702E+04 0.18836E-01 -0.21399E+01 19152 0.668E+00 0.102E+00 DAV: 2 -0.161711870258E+04 -0.87966E-01 -0.94498E-01 22064 0.961E-01 0.312E+00 DAV: 3 -0.161707634835E+04 0.42354E-01 -0.69391E-01 22760 0.300E-01 0.119E+00 DAV: 4 -0.161708810327E+04 -0.11755E-01 -0.30335E-01 22712 0.199E-01 0.176E+00 DAV: 5 -0.161706892184E+04 0.19181E-01 -0.17731E-01 22976 0.155E-01 0.460E-01 DAV: 6 -0.161707128016E+04 -0.23583E-02 -0.17356E-02 22040 0.103E-01 0.538E-01 DAV: 7 -0.161706828927E+04 0.29909E-02 -0.88417E-03 21800 0.119E-01 0.221E-01 DAV: 8 -0.161706818384E+04 0.10543E-03 -0.18646E-03 21616 0.538E-02 0.862E-02 DAV: 9 -0.161706816164E+04 0.22204E-04 -0.26740E-04 21816 0.223E-02 0.350E-02 DAV: 10 -0.161706815901E+04 0.26248E-05 -0.32161E-05 14232 0.967E-03 61 F= -.16170682E+04 E0= -.16170302E+04 d E =-.450518E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.161684460371E+04 0.22356E+00 -0.32391E+02 19264 0.261E+01 0.401E+00 DAV: 2 -0.161779163006E+04 -0.94703E+00 -0.11228E+01 21952 0.377E+00 0.666E+00 DAV: 3 -0.161758209183E+04 0.20954E+00 -0.71835E+00 23008 0.106E+00 0.290E+00 DAV: 4 -0.161770527342E+04 -0.12318E+00 -0.31989E+00 22656 0.723E-01 0.561E+00 DAV: 5 -0.161749579755E+04 0.20948E+00 -0.16466E+00 23056 0.547E-01 0.228E+00 DAV: 6 -0.161750000985E+04 -0.42123E-02 -0.59016E-01 22640 0.382E-01 0.184E+00 DAV: 7 -0.161745072353E+04 0.49286E-01 -0.13495E-01 22200 0.501E-01 0.955E-01 DAV: 8 -0.161744682597E+04 0.38976E-02 -0.39926E-02 22064 0.254E-01 0.441E-01 DAV: 9 -0.161744621989E+04 0.60607E-03 -0.65825E-03 21440 0.103E-01 0.188E-01 DAV: 10 -0.161744621517E+04 0.47244E-05 -0.21224E-03 21960 0.531E-02 0.144E-01 DAV: 11 -0.161744608594E+04 0.12923E-03 -0.14704E-03 22384 0.453E-02 0.919E-02 DAV: 12 -0.161744601296E+04 0.72975E-04 -0.34742E-04 22088 0.264E-02 0.273E-02 DAV: 13 -0.161744601214E+04 0.81948E-06 -0.72310E-05 20984 0.118E-02 62 F= -.16174460E+04 E0= -.16174103E+04 d E =-.377853E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.161744596897E+04 0.43994E-04 -0.52486E-02 19616 0.332E-01 0.487E-02 DAV: 2 -0.161744611632E+04 -0.14735E-03 -0.15139E-03 22064 0.478E-02 0.806E-02 DAV: 3 -0.161744608494E+04 0.31382E-04 -0.53078E-04 18208 0.136E-02 0.570E-02 DAV: 4 -0.161744609045E+04 -0.55115E-05 -0.37889E-04 14728 0.898E-03 0.740E-02 DAV: 5 -0.161744605931E+04 0.31139E-04 -0.28085E-04 13752 0.642E-03 0.170E-02 DAV: 6 -0.161744606105E+04 -0.17453E-05 -0.31289E-05 13600 0.897E-03 63 F= -.16174461E+04 E0= -.16174106E+04 d E =-.377902E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.161741932473E+04 0.26735E-01 -0.22657E+02 19152 0.218E+01 0.337E+00 DAV: 2 -0.161805293915E+04 -0.63361E+00 -0.75490E+00 21952 0.313E+00 0.522E+00 DAV: 3 -0.161790423643E+04 0.14870E+00 -0.47258E+00 22944 0.903E-01 0.202E+00 DAV: 4 -0.161795806950E+04 -0.53833E-01 -0.12649E+00 22288 0.543E-01 0.351E+00 DAV: 5 -0.161785456986E+04 0.10350E+00 -0.72685E-01 22936 0.374E-01 0.131E+00 DAV: 6 -0.161784297592E+04 0.11594E-01 -0.22400E-01 22440 0.481E-01 0.166E+00 DAV: 7 -0.161782808909E+04 0.14887E-01 -0.28134E-01 22136 0.267E-01 0.675E-01 DAV: 8 -0.161782585789E+04 0.22312E-02 -0.21866E-02 21504 0.144E-01 0.291E-01 DAV: 9 -0.161782572927E+04 0.12862E-03 -0.73948E-03 21744 0.820E-02 0.200E-01 DAV: 10 -0.161782538416E+04 0.34511E-03 -0.15134E-03 22048 0.521E-02 0.512E-02 DAV: 11 -0.161782538784E+04 -0.36851E-05 -0.22921E-04 21904 0.240E-02 0.365E-02 DAV: 12 -0.161782538149E+04 0.63529E-05 -0.15125E-04 17368 0.150E-02 0.319E-02 DAV: 13 -0.161782537846E+04 0.30267E-05 -0.93490E-05 13952 0.937E-03 64 F= -.16178254E+04 E0= -.16177907E+04 d E =-.379317E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.161778683636E+04 0.38545E-01 -0.43545E+01 19152 0.956E+00 0.149E+00 DAV: 2 -0.161792277329E+04 -0.13594E+00 -0.15905E+00 22040 0.137E+00 0.287E+00 DAV: 3 -0.161787793919E+04 0.44834E-01 -0.10377E+00 22760 0.415E-01 0.101E+00