N E dE d eps ncg rms rms(c) DAV: 1 0.315641104841E+04 0.31564E+04 -0.16596E+05 1792 0.156E+03 DAV: 2 -0.808799847271E+02 -0.32373E+04 -0.30962E+04 2560 0.320E+02 DAV: 3 -0.549494220157E+03 -0.46861E+03 -0.46630E+03 2176 0.129E+02 DAV: 4 -0.559133475115E+03 -0.96393E+01 -0.96009E+01 2304 0.214E+01 DAV: 5 -0.559349424732E+03 -0.21595E+00 -0.21554E+00 2272 0.294E+00 0.918E+01 DAV: 6 -0.498251187959E+03 0.61098E+02 -0.20896E+02 2272 0.316E+01 0.436E+01 DAV: 7 -0.499570601916E+03 -0.13194E+01 -0.19804E+01 2272 0.125E+01 0.251E+01 DAV: 8 -0.503521128594E+03 -0.39505E+01 -0.69693E+01 2208 0.149E+01 0.153E+01 DAV: 9 -0.501335101265E+03 0.21860E+01 -0.48319E+00 2368 0.526E+00 0.824E+00 DAV: 10 -0.498006301791E+03 0.33288E+01 -0.23239E+00 2368 0.605E+00 0.480E+00 DAV: 11 -0.496978301016E+03 0.10280E+01 -0.74459E-01 2240 0.251E+00 0.404E+00 DAV: 12 -0.495896931846E+03 0.10814E+01 -0.11896E-01 2336 0.197E+00 0.404E+00 DAV: 13 -0.497678584318E+03 -0.17817E+01 -0.44878E-01 2464 0.495E+00 0.109E+01 DAV: 14 -0.496475587276E+03 0.12030E+01 -0.52150E-01 2240 0.133E+00 0.992E+00 DAV: 15 -0.496328861469E+03 0.14673E+00 -0.27239E-02 2176 0.341E-01 0.932E+00 DAV: 16 -0.496328926973E+03 -0.65505E-04 -0.87369E-04 2368 0.561E-02 0.931E+00 DAV: 17 -0.496211087531E+03 0.11784E+00 -0.33669E-04 2592 0.110E-01 0.848E+00 DAV: 18 -0.496218040395E+03 -0.69529E-02 -0.22984E-04 2144 0.250E-02 0.853E+00 DAV: 19 -0.496304794735E+03 -0.86754E-01 -0.14126E-02 2464 0.112E-01 0.911E+00 DAV: 20 -0.497700277558E+03 -0.13955E+01 -0.13640E+00 2560 0.112E+00 0.111E+01 DAV: 21 -0.496893114751E+03 0.80716E+00 -0.48341E-01 2304 0.757E-01 0.103E+01 DAV: 22 -0.497596037789E+03 -0.70292E+00 -0.28008E-01 2048 0.902E-01 0.110E+01 DAV: 23 -0.497756682746E+03 -0.16064E+00 -0.37372E-02 2144 0.322E-01 0.111E+01 DAV: 24 -0.497838194236E+03 -0.81511E-01 -0.49270E-02 2048 0.200E-01 0.111E+01 DAV: 25 -0.497447718623E+03 0.39048E+00 -0.81252E-02 2048 0.397E-01 0.108E+01 DAV: 26 -0.497441202347E+03 0.65163E-02 -0.26314E-03 2176 0.882E-02 0.107E+01 DAV: 27 -0.497566954516E+03 -0.12575E+00 -0.17158E-03 2080 0.101E-01 0.108E+01 DAV: 28 -0.495663455628E+03 0.19035E+01 -0.64693E-01 2304 0.182E+00 0.684E+00 DAV: 29 -0.495628618641E+03 0.34837E-01 -0.10788E-01 2176 0.635E-01 0.674E+00 DAV: 30 -0.495237054779E+03 0.39156E+00 -0.15630E-01 2176 0.118E+00 0.336E+00 DAV: 31 -0.496018766452E+03 -0.78171E+00 -0.46464E-01 2048 0.134E+00 0.638E+00 DAV: 32 -0.496062570889E+03 -0.43804E-01 -0.37000E-02 2176 0.398E-01 0.639E+00 DAV: 33 -0.496035778118E+03 0.26793E-01 -0.96100E-04 2208 0.702E-02 0.637E+00 DAV: 34 -0.496311658133E+03 -0.27588E+00 -0.26778E-02 2208 0.665E-01 0.673E+00 DAV: 35 -0.496320679515E+03 -0.90214E-02 -0.78988E-03 2240 0.174E-01 0.665E+00 DAV: 36 -0.496386288714E+03 -0.65609E-01 -0.46155E-04 2176 0.979E-02 0.678E+00 DAV: 37 -0.496913849669E+03 -0.52756E+00 -0.16946E-02 2400 0.859E-01 0.733E+00 DAV: 38 -0.497396773469E+03 -0.48292E+00 -0.59572E-02 2464 0.115E+00 0.779E+00 DAV: 39 -0.497284396341E+03 0.11238E+00 -0.32325E-02 2208 0.422E-01 0.769E+00 DAV: 40 -0.497273956335E+03 0.10440E-01 -0.45945E-03 2336 0.147E-01 0.782E+00 DAV: 41 -0.496995954070E+03 0.27800E+00 -0.28013E-03 2432 0.421E-01 0.764E+00 DAV: 42 -0.495959323303E+03 0.10366E+01 -0.85704E-02 2336 0.185E+00 0.736E+00 DAV: 43 -0.495964600747E+03 -0.52774E-02 -0.45395E-02 2240 0.380E-01 0.748E+00 DAV: 44 -0.495963412256E+03 0.11885E-02 -0.63463E-04 2432 0.467E-02 0.748E+00 DAV: 45 -0.496054588952E+03 -0.91177E-01 -0.13267E-03 2560 0.225E-01 0.747E+00 DAV: 46 -0.496059087253E+03 -0.44983E-02 -0.10873E-03 2176 0.675E-02 0.740E+00 DAV: 47 -0.496058781326E+03 0.30593E-03 -0.44160E-05 2176 0.167E-02 0.742E+00 DAV: 48 -0.496020367946E+03 0.38413E-01 -0.47203E-03 2048 0.218E-01 0.768E+00 DAV: 49 -0.495912034153E+03 0.10833E+00 -0.30013E-03 2560 0.280E-01 0.774E+00 DAV: 50 -0.495788593431E+03 0.12344E+00 -0.26234E-03 2496 0.300E-01 0.781E+00 DAV: 51 -0.495550233611E+03 0.23836E+00 -0.15931E-02 3040 0.781E-01 0.856E+00 DAV: 52 -0.495541296108E+03 0.89375E-02 -0.11568E-02 2240 0.212E-01 0.875E+00 DAV: 53 -0.495551081315E+03 -0.97852E-02 -0.19861E-03 2784 0.246E-01 0.912E+00 DAV: 54 -0.495550909572E+03 0.17174E-03 -0.72699E-04 2272 0.514E-02 0.914E+00 DAV: 55 -0.495551535262E+03 -0.62569E-03 -0.28733E-04 2432 0.101E-01 0.913E+00 DAV: 56 -0.495514937686E+03 0.36598E-01 -0.14819E-01 2240 0.103E+00 0.928E+00 DAV: 57 -0.495578711561E+03 -0.63774E-01 -0.86157E-02 2080 0.423E-01 0.102E+01 DAV: 58 -0.495622156903E+03 -0.43445E-01 -0.24505E-02 2400 0.562E-01 0.982E+00 DAV: 59 -0.495623772993E+03 -0.16161E-02 -0.62478E-03 2112 0.217E-01 0.104E+01 DAV: 60 -0.495628638242E+03 -0.48652E-02 -0.37219E-03 2176 0.135E-01 1 F= -.50059191E+03 E0= -.50057511E+03 d E =-.500592E+03 N E dE d eps ncg rms rms(c) DAV: 1 -0.493952222713E+03 0.16716E+01 -0.28046E+02 1792 0.403E+01 0.157E+01 DAV: 2 -0.495111511931E+03 -0.11593E+01 -0.13756E+01 2304 0.787E+00 0.964E+00 DAV: 3 -0.496661361134E+03 -0.15498E+01 -0.16803E+01 2688 0.717E+00 0.751E+00 DAV: 4 -0.495384616847E+03 0.12767E+01 -0.13835E+00 2272 0.346E+00 0.455E+00 DAV: 5 -0.494956078557E+03 0.42854E+00 -0.69159E-01 2240 0.214E+00 0.359E+00 DAV: 6 -0.494409716677E+03 0.54636E+00 -0.64463E-01 2336 0.295E+00 0.429E+00 DAV: 7 -0.494259261571E+03 0.15046E+00 -0.78156E-01 2304 0.102E+00 0.473E+00 DAV: 8 -0.494195897193E+03 0.63364E-01 -0.67090E-02 2368 0.401E-01 0.256E+00 DAV: 9 -0.494202345268E+03 -0.64481E-02 -0.24496E-01 2336 0.474E-01 0.350E+00 DAV: 10 -0.494227780105E+03 -0.25435E-01 -0.76041E-02 2208 0.527E-01 0.290E+00 DAV: 11 -0.494182796568E+03 0.44984E-01 -0.28321E-01 2496 0.538E-01 0.256E+00 DAV: 12 -0.494180518885E+03 0.22777E-02 -0.25736E-01 2752 0.542E-01 0.290E+00 DAV: 13 -0.494242258405E+03 -0.61740E-01 -0.23873E-01 2528 0.613E-01 0.235E+00 DAV: 14 -0.494164815488E+03 0.77443E-01 -0.60785E-03 2144 0.304E-01 0.174E+00 DAV: 15 -0.494146977635E+03 0.17838E-01 -0.18677E-02 2560 0.152E-01 0.117E+00 DAV: 16 -0.494141539670E+03 0.54380E-02 -0.51361E-03 2240 0.967E-02 0.580E-01 DAV: 17 -0.494141949224E+03 -0.40955E-03 -0.13454E-03 2176 0.477E-02 0.619E-01 DAV: 18 -0.494141151064E+03 0.79816E-03 -0.10006E-02 2432 0.708E-02 0.485E-01 DAV: 19 -0.494141011307E+03 0.13976E-03 -0.53793E-03 2304 0.487E-02 0.258E-01 DAV: 20 -0.494141767728E+03 -0.75642E-03 -0.23933E-03 2176 0.634E-02 0.439E-01 DAV: 21 -0.494143156767E+03 -0.13890E-02 -0.18564E-02 2176 0.851E-02 0.765E-01 DAV: 22 -0.494140982297E+03 0.21745E-02 -0.49272E-03 2208 0.518E-02 0.481E-02 DAV: 23 -0.494141152873E+03 -0.17058E-03 -0.54304E-04 2112 0.152E-02 0.124E-01 DAV: 24 -0.494141271924E+03 -0.11905E-03 -0.75016E-05 1888 0.155E-02 0.131E-01 DAV: 25 -0.494141371148E+03 -0.99224E-04 -0.88722E-05 1984 0.136E-02 0.148E-01 DAV: 26 -0.494141322204E+03 0.48944E-04 -0.66331E-04 1760 0.127E-02 0.477E-02 DAV: 27 -0.494141344751E+03 -0.22547E-04 -0.68397E-06 1536 0.477E-03 0.494E-02 DAV: 28 -0.494141390012E+03 -0.45261E-04 -0.43757E-04 1568 0.105E-02 0.958E-02 DAV: 29 -0.494141366136E+03 0.23876E-04 -0.20174E-04 1440 0.762E-03 0.143E-02 DAV: 30 -0.494141373644E+03 -0.75073E-05 -0.20680E-06 1536 0.195E-03 2 F= -.49910135E+03 E0= -.49906674E+03 d E =0.149056E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.495096485636E+03 -0.95512E+00 -0.16919E+02 1792 0.312E+01 0.125E+01 DAV: 2 -0.496183170419E+03 -0.10867E+01 -0.10140E+01 2368 0.624E+00 0.622E+00 DAV: 3 -0.498109560575E+03 -0.19264E+01 -0.20376E+00 2496 0.543E+00 0.123E+01 DAV: 4 -0.495421252267E+03 0.26883E+01 -0.40359E+00 2496 0.345E+00 0.284E+00 DAV: 5 -0.495458238898E+03 -0.36987E-01 -0.53898E-01 2304 0.129E+00 0.257E+00 DAV: 6 -0.495656752574E+03 -0.19851E+00 -0.13725E+00 2400 0.882E-01 0.428E+00 DAV: 7 -0.495425508375E+03 0.23124E+00 -0.81616E-02 2176 0.547E-01 0.215E+00 DAV: 8 -0.495400172675E+03 0.25336E-01 -0.11499E-01 2304 0.350E-01 0.138E+00 DAV: 9 -0.495422002701E+03 -0.21830E-01 -0.28764E-01 2336 0.360E-01 0.186E+00 DAV: 10 -0.495414252276E+03 0.77504E-02 -0.50830E-03 2176 0.926E-02 0.138E+00 DAV: 11 -0.495418714072E+03 -0.44618E-02 -0.52837E-02 2784 0.148E-01 0.244E+00 DAV: 12 -0.495394983457E+03 0.23731E-01 -0.14946E-01 2752 0.203E-01 0.844E-01 DAV: 13 -0.495400668133E+03 -0.56847E-02 -0.31174E-02 2240 0.140E-01 0.131E+00 DAV: 14 -0.495395043361E+03 0.56248E-02 -0.26937E-03 2176 0.141E-01 0.784E-01 DAV: 15 -0.495392931812E+03 0.21115E-02 -0.32003E-03 2144 0.513E-02 0.307E-01 DAV: 16 -0.495392584572E+03 0.34724E-03 -0.74146E-04 2176 0.337E-02 0.168E-01 DAV: 17 -0.495392633625E+03 -0.49053E-04 -0.15010E-03 2208 0.222E-02 0.155E-01 DAV: 18 -0.495392649691E+03 -0.16066E-04 -0.15337E-04 1952 0.185E-02 0.112E-01 DAV: 19 -0.495392597024E+03 0.52667E-04 -0.33898E-05 1600 0.975E-03 0.189E-02 DAV: 20 -0.495392627710E+03 -0.30685E-04 -0.17006E-05 1536 0.546E-03 0.247E-02 DAV: 21 -0.495392649220E+03 -0.21510E-04 -0.41181E-06 1568 0.445E-03 0.153E-02 DAV: 22 -0.495392663569E+03 -0.14349E-04 -0.23449E-06 1440 0.278E-03 0.122E-02 DAV: 23 -0.495392676199E+03 -0.12630E-04 -0.52354E-06 1504 0.253E-03 0.860E-03 DAV: 24 -0.495392679872E+03 -0.36729E-05 -0.74723E-07 1472 0.143E-03 3 F= -.50035497E+03 E0= -.50031854E+03 d E =0.236937E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.495409675889E+03 -0.17000E-01 -0.19708E+00 1792 0.336E+00 0.134E+00 DAV: 2 -0.495538586847E+03 -0.12891E+00 -0.18897E-01 2272 0.102E+00 0.294E+00 DAV: 3 -0.495416156004E+03 0.12243E+00 -0.14613E-01 2304 0.804E-01 0.106E+00 DAV: 4 -0.495449957503E+03 -0.33801E-01 -0.90601E-02 2176 0.381E-01 0.262E+00 DAV: 5 -0.495456308614E+03 -0.63511E-02 -0.39278E-01 2368 0.272E-01 0.322E+00 DAV: 6 -0.495412910599E+03 0.43398E-01 -0.73372E-02 2400 0.223E-01 0.485E-01 DAV: 7 -0.495412382107E+03 0.52849E-03 -0.59456E-03 2240 0.106E-01 0.255E-01 DAV: 8 -0.495413534475E+03 -0.11524E-02 -0.58261E-03 2304 0.742E-02 0.515E-01 DAV: 9 -0.495415096150E+03 -0.15617E-02 -0.14798E-03 2080 0.107E-01 0.642E-01 DAV: 10 -0.495412724383E+03 0.23718E-02 -0.63143E-04 2176 0.532E-02 0.334E-01 DAV: 11 -0.495412377102E+03 0.34728E-03 -0.52940E-04 2304 0.246E-02 0.194E-01 DAV: 12 -0.495412176076E+03 0.20103E-03 -0.65857E-05 2176 0.231E-02 0.364E-02 DAV: 13 -0.495412190994E+03 -0.14918E-04 -0.17057E-05 1760 0.101E-02 0.518E-02 DAV: 14 -0.495412175427E+03 0.15567E-04 -0.43966E-06 1440 0.535E-03 0.704E-03 DAV: 15 -0.495412176288E+03 -0.86033E-06 -0.19472E-06 1408 0.210E-03 4 F= -.50037413E+03 E0= -.50033781E+03 d E =0.217773E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.495550638386E+03 -0.13846E+00 -0.73473E+01 1792 0.204E+01 0.513E+00 DAV: 2 -0.498569991940E+03 -0.30194E+01 -0.45631E+00 2592 0.534E+00 0.123E+01 DAV: 3 -0.495635713571E+03 0.29343E+01 -0.26571E+00 2432 0.356E+00 0.188E+00 DAV: 4 -0.495718354103E+03 -0.82641E-01 -0.33302E-01 2304 0.108E+00 0.305E+00 DAV: 5 -0.495641374198E+03 0.76980E-01 -0.23399E-01 2176 0.572E-01 0.160E+00 DAV: 6 -0.495699203035E+03 -0.57829E-01 -0.41032E-01 2368 0.601E-01 0.224E+00 DAV: 7 -0.495662090065E+03 0.37113E-01 -0.12176E-01 2304 0.342E-01 0.232E+00 DAV: 8 -0.495631635065E+03 0.30455E-01 -0.51603E-02 2208 0.348E-01 0.150E+00 DAV: 9 -0.495633085776E+03 -0.14507E-02 -0.15539E-01 2272 0.200E-01 0.163E+00 DAV: 10 -0.495626540234E+03 0.65455E-02 -0.53238E-02 2304 0.146E-01 0.776E-01 DAV: 11 -0.495623769908E+03 0.27703E-02 -0.62570E-03 2240 0.725E-02 0.366E-01 DAV: 12 -0.495624087476E+03 -0.31757E-03 -0.39617E-03 2304 0.588E-02 0.395E-01 DAV: 13 -0.495623738690E+03 0.34879E-03 -0.29564E-04 2080 0.293E-02 0.296E-01 DAV: 14 -0.495623499734E+03 0.23896E-03 -0.92100E-05 2048 0.147E-02 0.205E-01 DAV: 15 -0.495623564448E+03 -0.64714E-04 -0.84396E-04 1856 0.153E-02 0.238E-01 DAV: 16 -0.495623320324E+03 0.24412E-03 -0.54843E-04 1664 0.188E-02 0.206E-02 DAV: 17 -0.495623336049E+03 -0.15725E-04 -0.31678E-05 1568 0.734E-03 0.414E-02 DAV: 18 -0.495623344519E+03 -0.84698E-05 -0.31995E-05 1536 0.485E-03 5 F= -.50058395E+03 E0= -.50054825E+03 d E =-.209822E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.495631431278E+03 -0.80952E-02 -0.23321E+00 1792 0.364E+00 0.993E-01 DAV: 2 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-.50059428E+03 E0= -.50055840E+03 d E =-.220145E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.495797384707E+03 -0.16383E+00 -0.31877E+01 1792 0.132E+01 0.278E+00 DAV: 2 -0.496169940764E+03 -0.37256E+00 -0.13374E+00 2304 0.230E+00 0.354E+00 DAV: 3 -0.495939877313E+03 0.23006E+00 -0.33371E-01 2624 0.156E+00 0.253E+00 DAV: 4 -0.495861634597E+03 0.78243E-01 -0.25329E-01 2240 0.755E-01 0.172E+00 DAV: 5 -0.495854128783E+03 0.75058E-02 -0.13246E-01 2560 0.452E-01 0.911E-01 DAV: 6 -0.495900896011E+03 -0.46767E-01 -0.40409E-02 2176 0.457E-01 0.233E+00 DAV: 7 -0.495900698201E+03 0.19781E-03 -0.22005E-01 2304 0.203E-01 0.273E+00 DAV: 8 -0.495854566950E+03 0.46131E-01 -0.58463E-02 2336 0.228E-01 0.113E+00 DAV: 9 -0.495848831516E+03 0.57354E-02 -0.24730E-02 2176 0.136E-01 0.358E-01 DAV: 10 -0.495858643458E+03 -0.98119E-02 -0.18052E-03 2144 0.151E-01 0.124E+00 DAV: 11 -0.495848510307E+03 0.10133E-01 -0.16337E-03 2176 0.104E-01 0.214E-01 DAV: 12 -0.495848681994E+03 -0.17169E-03 -0.14563E-03 2176 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-0.16730E-01 2144 0.428E-01 0.138E+00 DAV: 5 -0.495877632366E+03 0.88132E-02 -0.31126E-02 2304 0.255E-01 0.507E-01 DAV: 6 -0.495897360467E+03 -0.19728E-01 -0.10312E-01 2400 0.172E-01 0.229E+00 DAV: 7 -0.495879598706E+03 0.17762E-01 -0.57267E-02 2400 0.157E-01 0.765E-01 DAV: 8 -0.495879904929E+03 -0.30622E-03 -0.15280E-03 2176 0.129E-01 0.762E-01 DAV: 9 -0.495876971959E+03 0.29330E-02 -0.12557E-03 2112 0.632E-02 0.205E-01 DAV: 10 -0.495876825288E+03 0.14667E-03 -0.22386E-04 2272 0.225E-02 0.672E-02 DAV: 11 -0.495876864666E+03 -0.39378E-04 -0.27143E-05 2144 0.118E-02 0.100E-01 DAV: 12 -0.495876838237E+03 0.26428E-04 -0.36389E-05 1664 0.135E-02 0.411E-02 DAV: 13 -0.495876841744E+03 -0.35070E-05 -0.62853E-06 1536 0.615E-03 8 F= -.50084041E+03 E0= -.50080599E+03 d E =-.246132E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.495937538176E+03 -0.60700E-01 -0.58054E+01 1792 0.181E+01 0.380E+00 DAV: 2 -0.496579950239E+03 -0.64241E+00 -0.16546E+00 2208 0.309E+00 0.736E+00 DAV: 3 -0.496204890272E+03 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-0.496020013243E+03 -0.19342E-03 -0.35712E-05 1632 0.168E-02 0.205E-01 DAV: 3 -0.496019828878E+03 0.18437E-03 -0.28032E-05 1568 0.146E-02 0.938E-03 DAV: 4 -0.496019839530E+03 -0.10653E-04 -0.14431E-05 1408 0.466E-03 0.212E-02 DAV: 5 -0.496019839886E+03 -0.35540E-06 -0.20822E-05 1504 0.232E-03 10 F= -.50098249E+03 E0= -.50094977E+03 d E =-.142083E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.496116384410E+03 -0.96545E-01 -0.31219E+01 1792 0.133E+01 0.272E+00 DAV: 2 -0.497564524041E+03 -0.14481E+01 -0.12146E+00 2368 0.329E+00 0.977E+00 DAV: 3 -0.496149189385E+03 0.14153E+01 -0.37208E-01 2304 0.220E+00 0.117E+00 DAV: 4 -0.496189823735E+03 -0.40634E-01 -0.15916E-01 2272 0.699E-01 0.233E+00 DAV: 5 -0.496228485751E+03 -0.38662E-01 -0.24235E-02 2144 0.668E-01 0.217E+00 DAV: 6 -0.496200050269E+03 0.28435E-01 -0.34211E-02 2272 0.249E-01 0.233E+00 DAV: 7 -0.496194146245E+03 0.59040E-02 -0.13100E-01 2400 0.171E-01 0.281E+00 DAV: 8 -0.496152112114E+03 0.42034E-01 -0.37148E-02 2464 0.233E-01 0.752E-01 DAV: 9 -0.496157499862E+03 -0.53877E-02 -0.23436E-02 2272 0.181E-01 0.120E+00 DAV: 10 -0.496150321730E+03 0.71781E-02 -0.99865E-04 2176 0.126E-01 0.247E-01 DAV: 11 -0.496150598741E+03 -0.27701E-03 -0.14210E-04 2144 0.491E-02 0.338E-01 DAV: 12 -0.496150122138E+03 0.47660E-03 -0.86028E-05 2080 0.366E-02 0.107E-01 DAV: 13 -0.496150077590E+03 0.44549E-04 -0.37380E-05 1856 0.170E-02 0.185E-02 DAV: 14 -0.496150090559E+03 -0.12969E-04 -0.65483E-06 1568 0.646E-03 0.460E-02 DAV: 15 -0.496150087057E+03 0.35018E-05 -0.23820E-06 1408 0.681E-03 11 F= -.50111084E+03 E0= -.50107863E+03 d E =-.128352E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.496158453156E+03 -0.83626E-02 -0.29318E+01 1792 0.129E+01 0.257E+00 DAV: 2 -0.497418304877E+03 -0.12599E+01 -0.11097E+00 2368 0.308E+00 0.809E+00 DAV: 3 -0.496192222055E+03 0.12261E+01 -0.33037E-01 2304 0.203E+00 0.111E+00 DAV: 4 -0.496232797132E+03 -0.40575E-01 -0.11126E-01 2304 0.685E-01 0.220E+00 DAV: 5 -0.496249289587E+03 -0.16492E-01 -0.24388E-02 2080 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-0.11453E+01 1792 0.799E+00 0.966E-01 DAV: 2 -0.496295935531E+03 -0.42405E-01 -0.26103E-01 2176 0.113E+00 0.182E+00 DAV: 3 -0.496311275031E+03 -0.15340E-01 -0.16891E-02 2272 0.439E-01 0.235E+00 DAV: 4 -0.496273084879E+03 0.38190E-01 -0.64282E-02 2272 0.330E-01 0.478E-01 DAV: 5 -0.496272720698E+03 0.36418E-03 -0.18034E-02 2336 0.189E-01 0.360E-01 DAV: 6 -0.496274845307E+03 -0.21246E-02 -0.17755E-02 2304 0.124E-01 0.867E-01 DAV: 7 -0.496272697530E+03 0.21478E-02 -0.37328E-02 2336 0.795E-02 0.422E-01 DAV: 8 -0.496272075264E+03 0.62227E-03 -0.32641E-03 2304 0.613E-02 0.102E-01 DAV: 9 -0.496272031544E+03 0.43720E-04 -0.22523E-04 2144 0.310E-02 0.543E-02 DAV: 10 -0.496272022831E+03 0.87136E-05 -0.32518E-05 2176 0.139E-02 13 F= -.50122994E+03 E0= -.50119833E+03 d E =-.799805E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.496259279562E+03 0.12752E-01 -0.62737E+01 1792 0.187E+01 0.230E+00 DAV: 2 -0.496493326127E+03 -0.23405E+00 -0.14907E+00 2176 0.272E+00 0.252E+00 DAV: 3 -0.496510929614E+03 -0.17603E-01 -0.12506E-01 2400 0.122E+00 0.303E+00 DAV: 4 -0.496373749596E+03 0.13718E+00 -0.21871E-01 2240 0.798E-01 0.143E+00 DAV: 5 -0.496436974627E+03 -0.63225E-01 -0.66752E-01 2432 0.494E-01 0.344E+00 DAV: 6 -0.496363134860E+03 0.73840E-01 -0.15291E-01 2304 0.379E-01 0.542E-01 DAV: 7 -0.496363309430E+03 -0.17457E-03 -0.29704E-02 2336 0.220E-01 0.585E-01 DAV: 8 -0.496374355231E+03 -0.11046E-01 -0.17667E-02 2176 0.184E-01 0.156E+00 DAV: 9 -0.496363810754E+03 0.10544E-01 -0.97720E-03 2016 0.965E-02 0.663E-01 DAV: 10 -0.496362762625E+03 0.10481E-02 -0.40314E-04 2176 0.423E-02 0.408E-01 DAV: 11 -0.496362117364E+03 0.64526E-03 -0.13698E-04 2272 0.360E-02 0.178E-01 DAV: 12 -0.496361982921E+03 0.13444E-03 -0.74662E-05 2240 0.205E-02 0.445E-02 DAV: 13 -0.496361980103E+03 0.28183E-05 -0.24957E-05 1472 0.897E-03 14 F= -.50131721E+03 E0= -.50128643E+03 d E =-.167255E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.496411193744E+03 -0.49211E-01 -0.72107E+00 1792 0.638E+00 0.837E-01 DAV: 2 -0.496437235504E+03 -0.26042E-01 -0.17196E-01 2336 0.939E-01 0.169E+00 DAV: 3 -0.496453509130E+03 -0.16274E-01 -0.13347E-01 2144 0.368E-01 0.192E+00 DAV: 4 -0.496423104054E+03 0.30405E-01 -0.55377E-03 2080 0.247E-01 0.424E-01 DAV: 5 -0.496424099427E+03 -0.99537E-03 -0.14343E-02 2240 0.164E-01 0.695E-01 DAV: 6 -0.496429057763E+03 -0.49583E-02 -0.99218E-02 2400 0.130E-01 0.138E+00 DAV: 7 -0.496422515960E+03 0.65418E-02 -0.11832E-02 2400 0.109E-01 0.221E-01 DAV: 8 -0.496422333017E+03 0.18294E-03 -0.74703E-04 2144 0.469E-02 0.466E-02 DAV: 9 -0.496422330886E+03 0.21308E-05 -0.11496E-04 2080 0.211E-02 0.504E-02 DAV: 10 -0.496422317719E+03 0.13166E-04 -0.27184E-05 1760 0.125E-02 0.245E-02 DAV: 11 -0.496422315606E+03 0.21132E-05 -0.12196E-05 1440 0.671E-03 15 F= -.50137705E+03 E0= -.50134638E+03 d E =-.598352E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.496432279071E+03 -0.99614E-02 -0.11769E+01 1792 0.815E+00 0.106E+00 DAV: 2 -0.496465109879E+03 -0.32831E-01 -0.27629E-01 2208 0.119E+00 0.166E+00 DAV: 3 -0.496509576012E+03 -0.44466E-01 -0.16630E-01 2272 0.486E-01 0.212E+00 DAV: 4 -0.496454049564E+03 0.55526E-01 -0.88966E-03 2272 0.324E-01 0.857E-01 DAV: 5 -0.496458904469E+03 -0.48549E-02 -0.12467E-02 2176 0.269E-01 0.135E+00 DAV: 6 -0.496451992339E+03 0.69121E-02 -0.16905E-02 2176 0.158E-01 0.597E-01 DAV: 7 -0.496453305716E+03 -0.13134E-02 -0.21860E-02 2304 0.965E-02 0.871E-01 DAV: 8 -0.496451340234E+03 0.19655E-02 -0.10455E-02 2336 0.683E-02 0.407E-01 DAV: 9 -0.496451564394E+03 -0.22416E-03 -0.29174E-04 2112 0.706E-02 0.483E-01 DAV: 10 -0.496450561085E+03 0.10033E-02 -0.14970E-04 1920 0.502E-02 0.116E-01 DAV: 11 -0.496450562811E+03 -0.17258E-05 -0.52227E-05 1984 0.217E-02 16 F= -.50140469E+03 E0= -.50137377E+03 d E =-.874820E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.496485428875E+03 -0.34868E-01 -0.50974E+00 1792 0.533E+00 0.925E-01 DAV: 2 -0.496661526124E+03 -0.17610E+00 -0.17280E-01 2240 0.109E+00 0.289E+00 DAV: 3 -0.496492989024E+03 0.16854E+00 -0.11693E-01 2176 0.694E-01 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0.10584E-05 -0.19603E-04 2112 0.432E-02 0.215E-01 DAV: 10 -0.496612411363E+03 -0.74504E-03 -0.14013E-04 2112 0.503E-02 0.464E-01 DAV: 11 -0.496611630410E+03 0.78095E-03 -0.38414E-05 1888 0.251E-02 0.205E-01 DAV: 12 -0.496611515974E+03 0.11444E-03 -0.17907E-05 1728 0.127E-02 0.123E-01 DAV: 13 -0.496611460194E+03 0.55779E-04 -0.48062E-06 1408 0.852E-03 0.487E-02 DAV: 14 -0.496611452521E+03 0.76731E-05 -0.31227E-06 1504 0.708E-03 21 F= -.50156998E+03 E0= -.50154071E+03 d E =-.802111E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.496632828966E+03 -0.21369E-01 -0.24854E+00 1792 0.376E+00 0.775E-01 DAV: 2 -0.496639988625E+03 -0.71597E-02 -0.64196E-02 2304 0.557E-01 0.763E-01 DAV: 3 -0.496686742880E+03 -0.46754E-01 -0.11621E-02 2592 0.379E-01 0.192E+00 DAV: 4 -0.496639621549E+03 0.47121E-01 -0.53987E-03 2592 0.270E-01 0.741E-01 DAV: 5 -0.496644004248E+03 -0.43827E-02 -0.45317E-03 2304 0.189E-01 0.125E+00 DAV: 6 -0.496637575756E+03 0.64285E-02 -0.44173E-03 2144 0.137E-01 0.308E-01 DAV: 7 -0.496637724867E+03 -0.14911E-03 -0.64215E-03 2112 0.443E-02 0.360E-01 DAV: 8 -0.496637211227E+03 0.51364E-03 -0.12441E-03 2048 0.333E-02 0.817E-02 DAV: 9 -0.496637195910E+03 0.15318E-04 -0.32134E-05 1952 0.110E-02 0.415E-02 DAV: 10 -0.496638164037E+03 -0.96813E-03 -0.60191E-05 1952 0.335E-02 0.467E-01 DAV: 11 -0.496637189682E+03 0.97435E-03 -0.44240E-05 1696 0.320E-02 0.479E-02 DAV: 12 -0.496637191018E+03 -0.13359E-05 -0.20671E-05 1664 0.102E-02 22 F= -.50159715E+03 E0= -.50156801E+03 d E =-.271648E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.496636636579E+03 0.55310E-03 -0.77241E+00 1792 0.663E+00 0.135E+00 DAV: 2 -0.496653704998E+03 -0.17068E-01 -0.19891E-01 2336 0.978E-01 0.756E-01 DAV: 3 -0.496765926906E+03 -0.11222E+00 -0.21331E-02 2464 0.520E-01 0.291E+00 DAV: 4 -0.496650020561E+03 0.11591E+00 -0.10501E-01 2464 0.483E-01 0.370E-01 DAV: 5 -0.496652507389E+03 -0.24868E-02 -0.18493E-02 2176 0.202E-01 0.719E-01 DAV: 6 -0.496657822253E+03 -0.53149E-02 -0.11116E-01 2496 0.145E-01 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2048 0.203E-02 25 F= -.50167998E+03 E0= -.50165134E+03 d E =-.671539E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.496556787582E+03 0.15140E+00 -0.74163E+01 1792 0.206E+01 0.237E+00 DAV: 2 -0.496707909440E+03 -0.15112E+00 -0.16543E+00 2272 0.284E+00 0.190E+00 DAV: 3 -0.496928959340E+03 -0.22105E+00 -0.94944E-02 2464 0.102E+00 0.364E+00 DAV: 4 -0.496692860930E+03 0.23610E+00 -0.17739E-01 2432 0.863E-01 0.183E+00 DAV: 5 -0.496723403211E+03 -0.30542E-01 -0.77350E-01 2368 0.434E-01 0.228E+00 DAV: 6 -0.496722566408E+03 0.83680E-03 -0.45096E-02 2176 0.467E-01 0.178E+00 DAV: 7 -0.496683206940E+03 0.39359E-01 -0.20547E-02 2336 0.397E-01 0.569E-01 DAV: 8 -0.496682502770E+03 0.70417E-03 -0.99013E-03 2208 0.141E-01 0.326E-01 DAV: 9 -0.496683969190E+03 -0.14664E-02 -0.59198E-04 2176 0.871E-02 0.655E-01 DAV: 10 -0.496681974921E+03 0.19943E-02 -0.64151E-04 2144 0.551E-02 0.781E-02 DAV: 11 -0.496682216243E+03 -0.24132E-03 -0.12373E-03 2112 0.338E-02 0.260E-01 DAV: 12 -0.496681968830E+03 0.24741E-03 -0.19047E-03 2240 0.278E-02 0.892E-02 DAV: 13 -0.496681953487E+03 0.15343E-04 -0.47469E-04 1856 0.128E-02 0.555E-02 DAV: 14 -0.496681943437E+03 0.10050E-04 -0.49278E-05 1536 0.641E-03 0.740E-03 DAV: 15 -0.496681947733E+03 -0.42964E-05 -0.39141E-06 1408 0.397E-03 26 F= -.50166819E+03 E0= -.50164025E+03 d E =-.553589E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.496671541096E+03 0.10402E-01 -0.26650E+01 1792 0.123E+01 0.147E+00 DAV: 2 -0.496727804599E+03 -0.56264E-01 -0.56079E-01 2272 0.167E+00 0.160E+00 DAV: 3 -0.496808032602E+03 -0.80228E-01 -0.43044E-02 2400 0.670E-01 0.199E+00 DAV: 4 -0.496726636931E+03 0.81396E-01 -0.26147E-02 2368 0.500E-01 0.139E+00 DAV: 5 -0.496788313141E+03 -0.61676E-01 -0.32978E-02 2368 0.549E-01 0.316E+00 DAV: 6 -0.496777177667E+03 0.11135E-01 -0.21280E-01 2240 0.273E-01 0.373E+00 DAV: 7 -0.496741234278E+03 0.35943E-01 -0.85567E-02 2528 0.473E-01 0.158E+00 DAV: 8 -0.496715177867E+03 0.26056E-01 -0.41758E-03 2080 0.218E-01 0.398E-01 DAV: 9 -0.496714516355E+03 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-0.496739876327E+03 0.30296E-03 -0.11906E-03 2432 0.388E-02 0.603E-02 DAV: 8 -0.496739877260E+03 -0.93228E-06 -0.54079E-05 2144 0.184E-02 28 F= -.50171987E+03 E0= -.50169125E+03 d E =-.278699E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.496778528458E+03 -0.38652E-01 -0.14585E+01 1792 0.915E+00 0.125E+00 DAV: 2 -0.497103685012E+03 -0.32516E+00 -0.39024E-01 2304 0.168E+00 0.474E+00 DAV: 3 -0.496799411954E+03 0.30427E+00 -0.23148E-01 2240 0.978E-01 0.557E-01 DAV: 4 -0.496801928449E+03 -0.25165E-02 -0.22954E-02 2304 0.296E-01 0.678E-01 DAV: 5 -0.496807917267E+03 -0.59888E-02 -0.19364E-02 2432 0.224E-01 0.114E+00 DAV: 6 -0.496808825208E+03 -0.90794E-03 -0.96659E-02 2560 0.161E-01 0.120E+00 DAV: 7 -0.496801460361E+03 0.73648E-02 -0.16795E-02 2464 0.180E-01 0.624E-01 DAV: 8 -0.496801886460E+03 -0.42610E-03 -0.14312E-03 2144 0.112E-01 0.599E-01 DAV: 9 -0.496799835226E+03 0.20512E-02 -0.19788E-04 2016 0.580E-02 0.470E-02 DAV: 10 -0.496799839738E+03 -0.45121E-05 -0.80399E-05 2208 0.180E-02 29 F= -.50178721E+03 E0= -.50175935E+03 d E =-.952102E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.496753945799E+03 0.45889E-01 -0.58379E+01 1792 0.183E+01 0.231E+00 DAV: 2 -0.497521170088E+03 -0.76722E+00 -0.14313E+00 2208 0.305E+00 0.823E+00 DAV: 3 -0.496859016661E+03 0.66215E+00 -0.71311E-01 2176 0.159E+00 0.162E+00 DAV: 4 -0.496854792122E+03 0.42245E-02 -0.62814E-02 2272 0.557E-01 0.166E+00 DAV: 5 -0.496900608370E+03 -0.45816E-01 -0.34355E-01 2656 0.454E-01 0.283E+00 DAV: 6 -0.496872104711E+03 0.28504E-01 -0.64332E-02 2720 0.418E-01 0.156E+00 DAV: 7 -0.496854291899E+03 0.17813E-01 -0.13118E-02 2336 0.263E-01 0.115E+00 DAV: 8 -0.496844222670E+03 0.10069E-01 -0.26469E-03 2144 0.187E-01 0.340E-01 DAV: 9 -0.496844067321E+03 0.15535E-03 -0.21078E-03 2112 0.754E-02 0.188E-01 DAV: 10 -0.496843981849E+03 0.85472E-04 -0.10989E-03 2208 0.388E-02 0.184E-01 DAV: 11 -0.496844125948E+03 -0.14410E-03 -0.24040E-03 2240 0.301E-02 0.259E-01 DAV: 12 -0.496843878353E+03 0.24759E-03 -0.10087E-03 2048 0.283E-02 0.811E-02 DAV: 13 -0.496843856428E+03 0.21926E-04 -0.10415E-04 2016 0.132E-02 0.314E-02 DAV: 14 -0.496843852910E+03 0.35179E-05 -0.14359E-05 1472 0.456E-03 30 F= -.50184580E+03 E0= -.50181863E+03 d E =-.153799E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.496879843409E+03 -0.35987E-01 -0.86192E+00 1792 0.704E+00 0.141E+00 DAV: 2 -0.497311675283E+03 -0.43183E+00 -0.29268E-01 2240 0.162E+00 0.687E+00 DAV: 3 -0.496888034703E+03 0.42364E+00 -0.34830E-01 2336 0.114E+00 0.657E-01 DAV: 4 -0.496897755434E+03 -0.97207E-02 -0.32504E-02 2240 0.302E-01 0.144E+00 DAV: 5 -0.496901318112E+03 -0.35627E-02 -0.21879E-01 2592 0.183E-01 0.173E+00 DAV: 6 -0.496900725396E+03 0.59272E-03 -0.11616E-02 2464 0.234E-01 0.117E+00 DAV: 7 -0.496890255611E+03 0.10470E-01 -0.22592E-03 2336 0.156E-01 0.118E-01 DAV: 8 -0.496890310327E+03 -0.54715E-04 -0.48718E-04 2144 0.470E-02 0.722E-02 DAV: 9 -0.496890272208E+03 0.38118E-04 -0.58526E-05 2144 0.190E-02 0.244E-02 DAV: 10 -0.496890275410E+03 -0.32019E-05 -0.29740E-05 1792 0.115E-02 31 F= -.50189688E+03 E0= -.50187025E+03 d E =-.510798E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.496870561559E+03 0.19711E-01 -0.32671E+01 1792 0.137E+01 0.255E+00 DAV: 2 -0.497776710943E+03 -0.90615E+00 -0.92990E-01 2144 0.274E+00 0.841E+00 DAV: 3 -0.496923555962E+03 0.85315E+00 -0.73346E-01 2144 0.171E+00 0.149E+00 DAV: 4 -0.496929147680E+03 -0.55917E-02 -0.48576E-02 2112 0.523E-01 0.184E+00 DAV: 5 -0.496965318291E+03 -0.36171E-01 -0.18782E-01 2688 0.586E-01 0.150E+00 DAV: 6 -0.496949924011E+03 0.15394E-01 -0.15508E-02 2656 0.331E-01 0.144E+00 DAV: 7 -0.496925848502E+03 0.24076E-01 -0.19545E-02 2176 0.231E-01 0.115E+00 DAV: 8 -0.496915611775E+03 0.10237E-01 -0.21451E-02 2144 0.180E-01 0.693E-01 DAV: 9 -0.496916267611E+03 -0.65584E-03 -0.69311E-02 2272 0.114E-01 0.760E-01 DAV: 10 -0.496914486659E+03 0.17810E-02 -0.37527E-02 2528 0.842E-02 0.435E-01 DAV: 11 -0.496914105091E+03 0.38157E-03 -0.50316E-03 2240 0.631E-02 0.334E-01 DAV: 12 -0.496913583540E+03 0.52155E-03 -0.12720E-04 2080 0.326E-02 0.362E-02 DAV: 13 -0.496913707519E+03 -0.12398E-03 -0.21890E-04 2048 0.142E-02 0.178E-01 DAV: 14 -0.496913597025E+03 0.11049E-03 -0.11157E-03 1632 0.170E-02 0.489E-02 DAV: 15 -0.496913592570E+03 0.44544E-05 -0.28054E-05 1504 0.535E-03 32 F= -.50192869E+03 E0= -.50190273E+03 d E =-.828973E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.496933465289E+03 -0.19868E-01 -0.12495E+01 1792 0.838E+00 0.104E+00 DAV: 2 -0.497073117337E+03 -0.13965E+00 -0.25860E-01 2144 0.126E+00 0.339E+00 DAV: 3 -0.496962914685E+03 0.11020E+00 -0.25370E-01 2048 0.573E-01 0.108E+00 DAV: 4 -0.496955632174E+03 0.72825E-02 -0.85060E-03 2016 0.227E-01 0.576E-01 DAV: 5 -0.496970293906E+03 -0.14662E-01 -0.11634E-01 2528 0.189E-01 0.185E+00 DAV: 6 -0.496957423963E+03 0.12870E-01 -0.12773E-02 2624 0.186E-01 0.689E-01 DAV: 7 -0.496954535967E+03 0.28880E-02 -0.14038E-03 2080 0.108E-01 0.970E-02 DAV: 8 -0.496954522603E+03 0.13363E-04 -0.21575E-04 2144 0.333E-02 0.377E-02 DAV: 9 -0.496954516285E+03 0.63184E-05 -0.32051E-05 2112 0.120E-02 33 F= -.50197548E+03 E0= -.50194955E+03 d E =-.467903E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.496889297074E+03 0.65226E-01 -0.51630E+01 1792 0.170E+01 0.210E+00 DAV: 2 -0.497239338895E+03 -0.35004E+00 -0.10755E+00 2144 0.252E+00 0.384E+00 DAV: 3 -0.497016260600E+03 0.22308E+00 -0.51719E-01 2144 0.115E+00 0.154E+00 DAV: 4 -0.496987902686E+03 0.28358E-01 -0.64889E-02 2080 0.474E-01 0.150E+00 DAV: 5 -0.497000430432E+03 -0.12528E-01 -0.45333E-01 2464 0.317E-01 0.205E+00 DAV: 6 -0.496992269046E+03 0.81614E-02 -0.19123E-02 2208 0.329E-01 0.115E+00 DAV: 7 -0.496979317394E+03 0.12952E-01 -0.48758E-03 2208 0.250E-01 0.485E-01 DAV: 8 -0.496980422228E+03 -0.11048E-02 -0.14133E-03 2016 0.114E-01 0.561E-01 DAV: 9 -0.496978447530E+03 0.19747E-02 -0.20762E-04 2112 0.758E-02 0.165E-01 DAV: 10 -0.496978548250E+03 -0.10072E-03 -0.15342E-04 2048 0.281E-02 0.210E-01 DAV: 11 -0.496978367687E+03 0.18056E-03 -0.58205E-05 1760 0.167E-02 0.783E-02 DAV: 12 -0.496978347002E+03 0.20685E-04 -0.13551E-05 1504 0.976E-03 0.700E-03 DAV: 13 -0.496978356197E+03 -0.91953E-05 -0.31343E-06 1504 0.434E-03 34 F= -.50201012E+03 E0= -.50198467E+03 d E =-.814247E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.497002969178E+03 -0.24622E-01 -0.22058E+01 1792 0.112E+01 0.155E+00 DAV: 2 -0.497055377092E+03 -0.52408E-01 -0.43966E-01 2176 0.150E+00 0.182E+00 DAV: 3 -0.497107818409E+03 -0.52441E-01 -0.33745E-02 2496 0.695E-01 0.156E+00 DAV: 4 -0.497074641638E+03 0.33177E-01 -0.16816E-02 2176 0.322E-01 0.128E+00 DAV: 5 -0.497077360174E+03 -0.27185E-02 -0.10348E-01 2464 0.469E-01 0.246E+00 DAV: 6 -0.497043687429E+03 0.33673E-01 -0.34595E-02 2368 0.297E-01 0.888E-01 DAV: 7 -0.497042099227E+03 0.15882E-02 -0.53676E-03 2176 0.149E-01 0.439E-01 DAV: 8 -0.497044197421E+03 -0.20982E-02 -0.83237E-04 2112 0.118E-01 0.883E-01 DAV: 9 -0.497040920905E+03 0.32765E-02 -0.23703E-04 2144 0.573E-02 0.222E-01 DAV: 10 -0.497040753849E+03 0.16706E-03 -0.56100E-04 2176 0.332E-02 0.727E-02 DAV: 11 -0.497040756180E+03 -0.23315E-05 -0.31370E-04 2240 0.152E-02 0.662E-02 DAV: 12 -0.497040745021E+03 0.11159E-04 -0.23637E-04 1632 0.775E-03 0.347E-02 DAV: 13 -0.497040742931E+03 0.20903E-05 -0.80070E-05 1408 0.478E-03 35 F= -.50208004E+03 E0= -.50205542E+03 d E =-.699245E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.497027854394E+03 0.12891E-01 -0.14283E+01 1792 0.901E+00 0.124E+00 DAV: 2 -0.497055886494E+03 -0.28032E-01 -0.28284E-01 2176 0.120E+00 0.862E-01 DAV: 3 -0.497112296722E+03 -0.56410E-01 -0.39618E-02 2464 0.598E-01 0.147E+00 DAV: 4 -0.497070778547E+03 0.41518E-01 -0.84028E-02 2400 0.383E-01 0.125E+00 DAV: 5 -0.497060567680E+03 0.10211E-01 -0.10064E-01 2432 0.226E-01 0.105E+00 DAV: 6 -0.497124598270E+03 -0.64031E-01 -0.39574E-02 2272 0.426E-01 0.339E+00 DAV: 7 -0.497051785571E+03 0.72813E-01 -0.14088E-01 1984 0.337E-01 0.207E-01 DAV: 8 -0.497052418211E+03 -0.63264E-03 -0.15632E-03 2112 0.859E-02 0.154E-01 DAV: 9 -0.497053224196E+03 -0.80599E-03 -0.76796E-04 2304 0.422E-02 0.435E-01 DAV: 10 -0.497052420045E+03 0.80415E-03 -0.73380E-04 2240 0.307E-02 0.155E-01 DAV: 11 -0.497052425716E+03 -0.56703E-05 -0.44206E-04 1664 0.141E-02 0.159E-01 DAV: 12 -0.497052332458E+03 0.93258E-04 -0.39261E-04 1664 0.118E-02 0.696E-02 DAV: 13 -0.497052312207E+03 0.20251E-04 -0.62165E-05 1440 0.688E-03 0.255E-02 DAV: 14 -0.497052310210E+03 0.19975E-05 -0.65010E-06 1440 0.347E-03 36 F= -.50209739E+03 E0= -.50207322E+03 d E =-.872670E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.497077294595E+03 -0.24982E-01 -0.11134E+01 1792 0.800E+00 0.138E+00 DAV: 2 -0.497098677934E+03 -0.21383E-01 -0.23680E-01 2208 0.110E+00 0.538E-01 DAV: 3 -0.497108920312E+03 -0.10242E-01 -0.40014E-02 2304 0.285E-01 0.117E+00 DAV: 4 -0.497097968962E+03 0.10951E-01 -0.65656E-02 2208 0.205E-01 0.632E-01 DAV: 5 -0.497098005439E+03 -0.36477E-04 -0.42767E-02 2144 0.171E-01 0.558E-01 DAV: 6 -0.497099322122E+03 -0.13167E-02 -0.18320E-02 2240 0.998E-02 0.609E-01 DAV: 7 -0.497096872032E+03 0.24501E-02 -0.42013E-04 2176 0.857E-02 0.291E-01 DAV: 8 -0.497096629070E+03 0.24296E-03 -0.35853E-03 2112 0.419E-02 0.128E-01 DAV: 9 -0.497096594457E+03 0.34613E-04 -0.10675E-03 2176 0.245E-02 0.103E-01 DAV: 10 -0.497096550287E+03 0.44170E-04 -0.91778E-05 1696 0.111E-02 0.252E-02 DAV: 11 -0.497096549051E+03 0.12357E-05 -0.10403E-05 1472 0.444E-03 37 F= -.50214488E+03 E0= -.50212143E+03 d E =-.474945E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.497093191696E+03 0.33586E-02 -0.62792E+00 1792 0.601E+00 0.104E+00 DAV: 2 -0.497105562164E+03 -0.12370E-01 -0.13284E-01 2208 0.823E-01 0.477E-01 DAV: 3 -0.497175062766E+03 -0.69501E-01 -0.31295E-02 2464 0.345E-01 0.389E+00 DAV: 4 -0.497104352549E+03 0.70710E-01 -0.13593E-01 2528 0.335E-01 0.527E-01 DAV: 5 -0.497111967175E+03 -0.76146E-02 -0.80152E-02 2528 0.168E-01 0.999E-01 DAV: 6 -0.497104212604E+03 0.77546E-02 -0.47722E-03 2112 0.137E-01 0.212E-01 DAV: 7 -0.497104063784E+03 0.14882E-03 -0.21188E-03 2272 0.587E-02 0.108E-01 DAV: 8 -0.497104026957E+03 0.36827E-04 -0.47290E-04 2144 0.213E-02 0.424E-02 DAV: 9 -0.497104040853E+03 -0.13897E-04 -0.21195E-04 1600 0.124E-02 0.706E-02 DAV: 10 -0.497104024382E+03 0.16472E-04 -0.25072E-04 1536 0.102E-02 0.303E-02 DAV: 11 -0.497104021246E+03 0.31360E-05 -0.42940E-05 1440 0.524E-03 38 F= -.50215474E+03 E0= -.50213182E+03 d E =-.573489E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.497131215886E+03 -0.27192E-01 -0.10293E+01 1792 0.764E+00 0.867E-01 DAV: 2 -0.497150135629E+03 -0.18920E-01 -0.20437E-01 2176 0.101E+00 0.577E-01 DAV: 3 -0.497220479067E+03 -0.70343E-01 -0.14070E-02 2464 0.389E-01 0.352E+00 DAV: 4 -0.497147956963E+03 0.72522E-01 -0.16103E-01 2528 0.355E-01 0.391E-01 DAV: 5 -0.497162086682E+03 -0.14130E-01 -0.63599E-02 2432 0.212E-01 0.142E+00 DAV: 6 -0.497148062497E+03 0.14024E-01 -0.14683E-02 2560 0.156E-01 0.964E-02 DAV: 7 -0.497148129548E+03 -0.67051E-04 -0.73025E-04 2176 0.603E-02 0.658E-02 DAV: 8 -0.497148119091E+03 0.10457E-04 -0.95378E-05 2208 0.195E-02 0.290E-02 DAV: 9 -0.497148118893E+03 0.19833E-06 -0.32079E-05 1408 0.982E-03 39 F= -.50220030E+03 E0= -.50217751E+03 d E =-.455693E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.497139924904E+03 0.81942E-02 -0.19701E+01 1792 0.106E+01 0.120E+00 DAV: 2 -0.497177711802E+03 -0.37787E-01 -0.39729E-01 2176 0.141E+00 0.882E-01 DAV: 3 -0.497306225860E+03 -0.12851E+00 -0.65331E-02 2496 0.565E-01 0.437E+00 DAV: 4 -0.497182579870E+03 0.12365E+00 -0.34347E-01 2528 0.479E-01 0.158E+00 DAV: 5 -0.497176509694E+03 0.60702E-02 -0.12744E-01 2432 0.218E-01 0.791E-01 DAV: 6 -0.497172740764E+03 0.37689E-02 -0.41842E-03 2112 0.150E-01 0.284E-01 DAV: 7 -0.497172431188E+03 0.30958E-03 -0.23253E-03 2144 0.846E-02 0.928E-02 DAV: 8 -0.497172412727E+03 0.18461E-04 -0.35413E-04 2112 0.329E-02 0.259E-02 DAV: 9 -0.497172422012E+03 -0.92857E-05 -0.48786E-05 1568 0.126E-02 40 F= -.50222656E+03 E0= -.50220391E+03 d E =-.718285E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.497205272363E+03 -0.32860E-01 -0.11136E+01 1792 0.796E+00 0.104E+00 DAV: 2 -0.497331653117E+03 -0.12638E+00 -0.23738E-01 2080 0.120E+00 0.375E+00 DAV: 3 -0.497231116723E+03 0.10054E+00 -0.30255E-01 1984 0.560E-01 0.906E-01 DAV: 4 -0.497225317797E+03 0.57989E-02 -0.16813E-02 2048 0.218E-01 0.713E-01 DAV: 5 -0.497228320035E+03 -0.30022E-02 -0.97859E-02 2464 0.158E-01 0.102E+00 DAV: 6 -0.497222579863E+03 0.57402E-02 -0.13375E-02 2208 0.159E-01 0.126E-01 DAV: 7 -0.497222565853E+03 0.14011E-04 -0.71393E-04 2144 0.549E-02 0.487E-02 DAV: 8 -0.497222552799E+03 0.13054E-04 -0.69541E-05 2112 0.186E-02 0.288E-02 DAV: 9 -0.497222547580E+03 0.52189E-05 -0.19217E-05 1696 0.120E-02 41 F= -.50227676E+03 E0= -.50225456E+03 d E =-.501967E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.497196360554E+03 0.26192E-01 -0.41299E+01 1792 0.153E+01 0.202E+00 DAV: 2 -0.497497479394E+03 -0.30112E+00 -0.86966E-01 2176 0.226E+00 0.402E+00 DAV: 3 -0.497295182640E+03 0.20230E+00 -0.57752E-01 2112 0.107E+00 0.124E+00 DAV: 4 -0.497270540455E+03 0.24642E-01 -0.18618E-02 2080 0.393E-01 0.966E-01 DAV: 5 -0.497305689559E+03 -0.35149E-01 -0.30389E-02 2368 0.521E-01 0.325E+00 DAV: 6 -0.497287009391E+03 0.18680E-01 -0.12400E-01 2208 0.242E-01 0.274E+00 DAV: 7 -0.497267767416E+03 0.19242E-01 -0.53624E-02 2528 0.314E-01 0.752E-01 DAV: 8 -0.497260872517E+03 0.68949E-02 -0.15933E-03 2080 0.144E-01 0.864E-02 DAV: 9 -0.497261346867E+03 -0.47435E-03 -0.39632E-04 2304 0.524E-02 0.316E-01 DAV: 10 -0.497260843326E+03 0.50354E-03 -0.10985E-04 2176 0.321E-02 0.703E-02 DAV: 11 -0.497261000868E+03 -0.15754E-03 -0.14573E-05 1536 0.142E-02 0.171E-01 DAV: 12 -0.497260856784E+03 0.14408E-03 -0.74642E-06 1664 0.128E-02 0.471E-02 DAV: 13 -0.497260865394E+03 -0.86098E-05 -0.80731E-06 1536 0.967E-03 42 F= -.50231511E+03 E0= -.50229325E+03 d E =-.885502E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.497276898852E+03 -0.16042E-01 -0.14021E+01 1792 0.885E+00 0.110E+00 DAV: 2 -0.497464903192E+03 -0.18800E+00 -0.31222E-01 2112 0.137E+00 0.389E+00 DAV: 3 -0.497306035088E+03 0.15887E+00 -0.31171E-01 2048 0.669E-01 0.884E-01 DAV: 4 -0.497299462282E+03 0.65728E-02 -0.73462E-03 2080 0.226E-01 0.358E-01 DAV: 5 -0.497315860119E+03 -0.16398E-01 -0.48399E-02 2400 0.235E-01 0.174E+00 DAV: 6 -0.497299044830E+03 0.16815E-01 -0.40705E-02 2400 0.170E-01 0.156E-01 DAV: 7 -0.497299061759E+03 -0.16929E-04 -0.15253E-03 2080 0.508E-02 0.566E-02 DAV: 8 -0.497299075210E+03 -0.13451E-04 -0.16769E-04 2112 0.224E-02 0.680E-02 DAV: 9 -0.497299068545E+03 0.66645E-05 -0.50194E-05 2144 0.172E-02 43 F= -.50235284E+03 E0= -.50233145E+03 d E =-.377278E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.497291288505E+03 0.77867E-02 -0.10867E+01 1792 0.779E+00 0.948E-01 DAV: 2 -0.497408695050E+03 -0.11741E+00 -0.23682E-01 2144 0.116E+00 0.378E+00 DAV: 3 -0.497315354738E+03 0.93340E-01 -0.28634E-01 2048 0.520E-01 0.849E-01 DAV: 4 -0.497310460750E+03 0.48940E-02 -0.10788E-02 2144 0.193E-01 0.575E-01 DAV: 5 -0.497318657067E+03 -0.81963E-02 -0.92965E-02 2528 0.167E-01 0.130E+00 DAV: 6 -0.497308821557E+03 0.98355E-02 -0.12550E-02 2240 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-0.49729E-03 2144 0.434E-02 0.246E-01 DAV: 10 -0.497371574358E+03 0.13444E-04 -0.64309E-03 2112 0.474E-02 0.267E-01 DAV: 11 -0.497371261234E+03 0.31312E-03 -0.12656E-03 1728 0.241E-02 0.731E-03 DAV: 12 -0.497371265102E+03 -0.38680E-05 -0.12623E-05 1728 0.672E-03 46 F= -.50242369E+03 E0= -.50240244E+03 d E =-.616114E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.497374347820E+03 -0.30866E-02 -0.19272E+01 1792 0.105E+01 0.126E+00 DAV: 2 -0.497419972391E+03 -0.45625E-01 -0.39411E-01 2176 0.141E+00 0.156E+00 DAV: 3 -0.497444595193E+03 -0.24623E-01 -0.27174E-02 2464 0.594E-01 0.112E+00 DAV: 4 -0.497427263011E+03 0.17332E-01 -0.26908E-02 2272 0.287E-01 0.980E-01 DAV: 5 -0.497426783361E+03 0.47965E-03 -0.13076E-01 2528 0.249E-01 0.109E+00 DAV: 6 -0.497414991491E+03 0.11792E-01 -0.66980E-03 2240 0.319E-01 0.138E+00 DAV: 7 -0.497412511400E+03 0.24801E-02 -0.76203E-02 2112 0.234E-01 0.721E-01 DAV: 8 -0.497407524179E+03 0.49872E-02 -0.33086E-03 2048 0.112E-01 0.138E-01 DAV: 9 -0.497409225215E+03 -0.17010E-02 -0.86697E-03 2208 0.771E-02 0.637E-01 DAV: 10 -0.497407617340E+03 0.16079E-02 -0.13837E-02 2080 0.636E-02 0.206E-01 DAV: 11 -0.497407737255E+03 -0.11991E-03 -0.69359E-03 2176 0.358E-02 0.261E-01 DAV: 12 -0.497407460053E+03 0.27720E-03 -0.26592E-03 2048 0.241E-02 0.606E-02 DAV: 13 -0.497407451281E+03 0.87721E-05 -0.19970E-04 1856 0.828E-03 0.338E-02 DAV: 14 -0.497407445745E+03 0.55360E-05 -0.52796E-06 1536 0.366E-03 47 F= -.50245985E+03 E0= -.50243899E+03 d E =-.361612E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.497399683825E+03 0.77675E-02 -0.90732E+00 1792 0.719E+00 0.864E-01 DAV: 2 -0.497420208875E+03 -0.20525E-01 -0.18538E-01 2176 0.968E-01 0.933E-01 DAV: 3 -0.497439071926E+03 -0.18863E-01 -0.12469E-02 2528 0.420E-01 0.936E-01 DAV: 4 -0.497423101047E+03 0.15971E-01 -0.86068E-03 2240 0.226E-01 0.754E-01 DAV: 5 -0.497425273635E+03 -0.21726E-02 -0.51416E-02 2592 0.218E-01 0.121E+00 DAV: 6 -0.497425354970E+03 -0.81335E-04 -0.26139E-02 2336 0.220E-01 0.149E+00 DAV: 7 -0.497416062169E+03 0.92928E-02 -0.26817E-03 1984 0.178E-01 0.324E-01 DAV: 8 -0.497415469175E+03 0.59299E-03 -0.42733E-04 1984 0.766E-02 0.204E-01 DAV: 9 -0.497415577254E+03 -0.10808E-03 -0.13063E-04 2080 0.221E-02 0.240E-01 DAV: 10 -0.497415470268E+03 0.10699E-03 -0.38111E-05 1600 0.113E-02 0.196E-01 DAV: 11 -0.497415244400E+03 0.22587E-03 -0.23882E-05 1440 0.168E-02 0.458E-02 DAV: 12 -0.497415236263E+03 0.81372E-05 -0.22868E-05 1600 0.751E-03 48 F= -.50246761E+03 E0= -.50244686E+03 d E =-.439166E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.497432873506E+03 -0.17629E-01 -0.67774E+00 1792 0.617E+00 0.779E-01 DAV: 2 -0.497476841462E+03 -0.43968E-01 -0.14690E-01 2112 0.884E-01 0.270E+00 DAV: 3 -0.497450572801E+03 0.26269E-01 -0.59154E-02 2112 0.365E-01 0.720E-01 DAV: 4 -0.497446024183E+03 0.45486E-02 -0.37094E-03 2112 0.162E-01 0.500E-01 DAV: 5 -0.497444016674E+03 0.20075E-02 -0.37780E-03 2176 0.133E-01 0.289E-01 DAV: 6 -0.497444581196E+03 -0.56452E-03 -0.17890E-02 2272 0.736E-02 0.449E-01 DAV: 7 -0.497443784294E+03 0.79690E-03 -0.38488E-03 2240 0.439E-02 0.117E-01 DAV: 8 -0.497443715995E+03 0.68299E-04 -0.69879E-05 2144 0.197E-02 0.296E-02 DAV: 9 -0.497443715936E+03 0.58604E-07 -0.13298E-05 1536 0.980E-03 49 F= -.50249648E+03 E0= -.50247625E+03 d E =-.288685E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.497438308369E+03 0.54076E-02 -0.97400E+00 1792 0.740E+00 0.928E-01 DAV: 2 -0.497499333928E+03 -0.61026E-01 -0.21013E-01 2144 0.106E+00 0.311E+00 DAV: 3 -0.497463087300E+03 0.36247E-01 -0.15792E-01 2176 0.431E-01 0.767E-01 DAV: 4 -0.497457763621E+03 0.53237E-02 -0.52826E-03 2144 0.191E-01 0.592E-01 DAV: 5 -0.497454865497E+03 0.28981E-02 -0.73616E-03 2144 0.164E-01 0.477E-01 DAV: 6 -0.497454458028E+03 0.40747E-03 -0.25506E-02 2240 0.881E-02 0.369E-01 DAV: 7 -0.497453970181E+03 0.48785E-03 -0.31810E-03 2240 0.479E-02 0.148E-01 DAV: 8 -0.497453855422E+03 0.11476E-03 -0.93118E-05 2112 0.235E-02 0.332E-02 DAV: 9 -0.497453855285E+03 0.13709E-06 -0.20700E-05 2048 0.118E-02 50 F= -.50250711E+03 E0= -.50248709E+03 d E =-.394996E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.497470708056E+03 -0.16853E-01 -0.35656E+00 1792 0.448E+00 0.541E-01 DAV: 2 -0.497484862661E+03 -0.14155E-01 -0.71779E-02 2176 0.605E-01 0.131E+00 DAV: 3 -0.497482377705E+03 0.24850E-02 -0.45262E-03 2176 0.250E-01 0.657E-01 DAV: 4 -0.497477608022E+03 0.47697E-02 -0.16725E-03 2176 0.119E-01 0.386E-01 DAV: 5 -0.497476971048E+03 0.63697E-03 -0.14903E-03 2016 0.118E-01 0.338E-01 DAV: 6 -0.497478021915E+03 -0.10509E-02 -0.11948E-02 2112 0.703E-02 0.619E-01 DAV: 7 -0.497476362009E+03 0.16599E-02 -0.54553E-03 2400 0.507E-02 0.282E-02 DAV: 8 -0.497476392550E+03 -0.30541E-04 -0.76123E-05 2048 0.181E-02 0.587E-02 DAV: 9 -0.497476373726E+03 0.18824E-04 -0.12228E-05 1568 0.103E-02 0.234E-02 DAV: 10 -0.497476371770E+03 0.19563E-05 -0.25150E-06 1440 0.571E-03 51 F= -.50252973E+03 E0= -.50250971E+03 d E =-.226159E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.497472851912E+03 0.35218E-02 -0.32051E+01 1792 0.134E+01 0.158E+00 DAV: 2 -0.497579794933E+03 -0.10694E+00 -0.64170E-01 2176 0.179E+00 0.337E+00 DAV: 3 -0.497555407011E+03 0.24388E-01 -0.35322E-01 2272 0.713E-01 0.102E+00 DAV: 4 -0.497544099507E+03 0.11308E-01 -0.14638E-02 2144 0.306E-01 0.819E-01 DAV: 5 -0.497531158146E+03 0.12941E-01 -0.19178E-02 2176 0.309E-01 0.751E-01 DAV: 6 -0.497529324666E+03 0.18335E-02 -0.67465E-02 2272 0.176E-01 0.726E-01 DAV: 7 -0.497525289619E+03 0.40350E-02 -0.10619E-02 2176 0.157E-01 0.486E-01 DAV: 8 -0.497524151127E+03 0.11385E-02 -0.85014E-04 2112 0.727E-02 0.969E-02 DAV: 9 -0.497524354405E+03 -0.20328E-03 -0.33459E-04 2240 0.430E-02 0.217E-01 DAV: 10 -0.497524070391E+03 0.28401E-03 -0.20592E-04 2176 0.298E-02 0.260E-02 DAV: 11 -0.497524073906E+03 -0.35146E-05 -0.31664E-05 2176 0.104E-02 52 F= -.50257785E+03 E0= -.50255819E+03 d E =-.707396E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.497312171446E+03 0.21190E+00 -0.12775E+02 1792 0.268E+01 0.309E+00 DAV: 2 -0.497649103707E+03 -0.33693E+00 -0.26106E+00 2176 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-0.62875E-06 1536 0.884E-03 0.189E-02 DAV: 16 -0.497522260903E+03 -0.33984E-05 -0.19426E-06 1536 0.450E-03 53 F= -.50257766E+03 E0= -.50255900E+03 d E =-.705521E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.497484826007E+03 0.37431E-01 -0.34203E+01 1792 0.139E+01 0.171E+00 DAV: 2 -0.497559404907E+03 -0.74579E-01 -0.69362E-01 2208 0.185E+00 0.103E+00 DAV: 3 -0.497632637917E+03 -0.73233E-01 -0.39819E-02 2240 0.690E-01 0.396E+00 DAV: 4 -0.497549668325E+03 0.82970E-01 -0.35986E-01 2272 0.561E-01 0.751E-01 DAV: 5 -0.497541897568E+03 0.77708E-02 -0.86996E-03 2112 0.245E-01 0.473E-01 DAV: 6 -0.497551414433E+03 -0.95169E-02 -0.58265E-02 2464 0.207E-01 0.131E+00 DAV: 7 -0.497540467438E+03 0.10947E-01 -0.17765E-02 2368 0.147E-01 0.288E-01 DAV: 8 -0.497540092489E+03 0.37495E-03 -0.57062E-04 2208 0.489E-02 0.109E-01 DAV: 9 -0.497540099868E+03 -0.73794E-05 -0.91781E-05 2208 0.170E-02 54 F= -.50259451E+03 E0= -.50257439E+03 d E =-.874029E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.497562077530E+03 -0.21985E-01 -0.65872E+00 1792 0.610E+00 0.668E-01 DAV: 2 -0.497587671943E+03 -0.25594E-01 -0.13631E-01 2176 0.834E-01 0.181E+00 DAV: 3 -0.497578683474E+03 0.89885E-02 -0.32152E-02 2144 0.298E-01 0.678E-01 DAV: 4 -0.497577334485E+03 0.13490E-02 -0.32297E-02 2240 0.170E-01 0.721E-01 DAV: 5 -0.497574839083E+03 0.24954E-02 -0.44821E-02 2272 0.121E-01 0.558E-01 DAV: 6 -0.497572617899E+03 0.22212E-02 -0.74465E-03 2144 0.116E-01 0.694E-02 DAV: 7 -0.497572691424E+03 -0.73525E-04 -0.43511E-04 2176 0.491E-02 0.102E-01 DAV: 8 -0.497572627045E+03 0.64379E-04 -0.59120E-05 2112 0.193E-02 0.271E-02 DAV: 9 -0.497572627452E+03 -0.40624E-06 -0.65872E-05 1664 0.122E-02 55 F= -.50262709E+03 E0= -.50260787E+03 d E =-.325779E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.497519012389E+03 0.53615E-01 -0.59289E+01 1792 0.183E+01 0.200E+00 DAV: 2 -0.497686370642E+03 -0.16736E+00 -0.12137E+00 2176 0.249E+00 0.366E+00 DAV: 3 -0.497657865343E+03 0.28505E-01 -0.50002E-01 2272 0.889E-01 0.120E+00 DAV: 4 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0.225E-02 0.653E-02 DAV: 15 -0.497676819786E+03 0.19377E-04 -0.81463E-05 1920 0.919E-03 0.487E-02 DAV: 16 -0.497676806203E+03 0.13584E-04 -0.61459E-05 1504 0.895E-03 0.109E-02 DAV: 17 -0.497676809189E+03 -0.29867E-05 -0.37167E-06 1440 0.327E-03 58 F= -.50273272E+03 E0= -.50271462E+03 d E =-.616748E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.497691711521E+03 -0.14905E-01 -0.70899E+00 1792 0.626E+00 0.607E-01 DAV: 2 -0.497705116693E+03 -0.13405E-01 -0.13470E-01 2176 0.811E-01 0.559E-01 DAV: 3 -0.497714036596E+03 -0.89199E-02 -0.65527E-03 2400 0.299E-01 0.652E-01 DAV: 4 -0.497704443793E+03 0.95928E-02 -0.40160E-03 2176 0.187E-01 0.407E-01 DAV: 5 -0.497709338060E+03 -0.48943E-02 -0.28151E-02 2432 0.164E-01 0.116E+00 DAV: 6 -0.497714953770E+03 -0.56157E-02 -0.31054E-02 2432 0.176E-01 0.159E+00 DAV: 7 -0.497703014436E+03 0.11939E-01 -0.25842E-03 2144 0.175E-01 0.182E-01 DAV: 8 -0.497702851260E+03 0.16318E-03 -0.41969E-04 1952 0.542E-02 0.272E-02 DAV: 9 -0.497702869865E+03 -0.18605E-04 -0.42087E-05 2048 0.192E-02 0.541E-02 DAV: 10 -0.497702974154E+03 -0.10429E-03 -0.14083E-05 1600 0.147E-02 0.130E-01 DAV: 11 -0.497702879700E+03 0.94454E-04 -0.81403E-06 1536 0.993E-03 0.658E-02 DAV: 12 -0.497702856012E+03 0.23688E-04 -0.63303E-06 1664 0.604E-03 0.309E-02 DAV: 13 -0.497702856092E+03 -0.80436E-07 -0.81206E-07 1504 0.242E-03 59 F= -.50275888E+03 E0= -.50274045E+03 d E =-.261527E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.497658185099E+03 0.44671E-01 -0.63745E+01 1792 0.188E+01 0.177E+00 DAV: 2 -0.497778813140E+03 -0.12063E+00 -0.12203E+00 2176 0.244E+00 0.175E+00 DAV: 3 -0.497805215322E+03 -0.26402E-01 -0.54833E-02 2336 0.871E-01 0.117E+00 DAV: 4 -0.497780897579E+03 0.24318E-01 -0.22236E-02 2240 0.418E-01 0.819E-01 DAV: 5 -0.497784763421E+03 -0.38658E-02 -0.76309E-02 2496 0.600E-01 0.241E+00 DAV: 6 -0.497765216775E+03 0.19547E-01 -0.22680E-01 2272 0.304E-01 0.120E+00 DAV: 7 -0.497767883273E+03 -0.26665E-02 -0.30532E-02 2304 0.312E-01 0.484E-01 DAV: 8 -0.497759863539E+03 0.80197E-02 -0.19640E-03 2048 0.171E-01 0.203E-01 DAV: 9 -0.497764013008E+03 -0.41495E-02 -0.84042E-04 2336 0.139E-01 0.927E-01 DAV: 10 -0.497759256496E+03 0.47565E-02 -0.43992E-04 2080 0.944E-02 0.723E-02 DAV: 11 -0.497759267950E+03 -0.11454E-04 -0.20163E-04 2080 0.343E-02 0.330E-02 DAV: 12 -0.497759278245E+03 -0.10295E-04 -0.52349E-05 2272 0.142E-02 0.310E-02 DAV: 13 -0.497759273953E+03 0.42920E-05 -0.40741E-06 1536 0.573E-03 60 F= -.50281594E+03 E0= -.50279840E+03 d E =-.832148E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.497335399017E+03 0.42388E+00 -0.25420E+02 1792 0.374E+01 0.353E+00 DAV: 2 -0.497820495701E+03 -0.48510E+00 -0.51525E+00 2176 0.498E+00 0.293E+00 DAV: 3 -0.497922091331E+03 -0.10160E+00 -0.35685E-01 2304 0.173E+00 0.270E+00 DAV: 4 -0.497793149945E+03 0.12894E+00 -0.94563E-02 2336 0.101E+00 0.125E+00 DAV: 5 -0.497764672534E+03 0.28477E-01 -0.10698E-01 2304 0.922E-01 0.112E+00 DAV: 6 -0.497795190606E+03 -0.30518E-01 -0.42170E-01 2272 0.472E-01 0.239E+00 DAV: 7 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0.102E+00 DAV: 6 -0.497783823592E+03 0.14721E-01 -0.79383E-02 2304 0.263E-01 0.586E-01 DAV: 7 -0.497782416753E+03 0.14068E-02 -0.20607E-02 2208 0.150E-01 0.359E-01 DAV: 8 -0.497781584982E+03 0.83177E-03 -0.11757E-02 2240 0.862E-02 0.308E-01 DAV: 9 -0.497782153589E+03 -0.56861E-03 -0.22284E-02 2656 0.735E-02 0.426E-01 DAV: 10 -0.497781103195E+03 0.10504E-02 -0.22177E-03 2240 0.421E-02 0.108E-01 DAV: 11 -0.497781055115E+03 0.48080E-04 -0.38449E-04 2144 0.201E-02 0.261E-02 DAV: 12 -0.497781057650E+03 -0.25346E-05 -0.29168E-05 1792 0.747E-03 62 F= -.50283874E+03 E0= -.50282107E+03 d E =-.106019E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.497810748581E+03 -0.29693E-01 -0.24488E+01 1792 0.117E+01 0.128E+00 DAV: 2 -0.497923631190E+03 -0.11288E+00 -0.49516E-01 2176 0.163E+00 0.380E+00 DAV: 3 -0.497861324295E+03 0.62307E-01 -0.32613E-01 2080 0.612E-01 0.845E-01 DAV: 4 -0.497856235108E+03 0.50892E-02 -0.16958E-02 2144 0.270E-01 0.733E-01 DAV: 5 -0.497866202941E+03 -0.99678E-02 -0.14257E-01 2656 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2144 0.334E-01 0.785E-01 DAV: 5 -0.497904507848E+03 -0.15295E-01 -0.16595E-01 2528 0.418E-01 0.107E+00 DAV: 6 -0.497880313408E+03 0.24194E-01 -0.11950E-02 2208 0.286E-01 0.631E-01 DAV: 7 -0.497880429875E+03 -0.11647E-03 -0.90691E-02 2368 0.212E-01 0.863E-01 DAV: 8 -0.497880337069E+03 0.92806E-04 -0.14087E-01 2336 0.180E-01 0.776E-01 DAV: 9 -0.497876599085E+03 0.37380E-02 -0.24255E-03 2112 0.638E-02 0.404E-01 DAV: 10 -0.497875486331E+03 0.11128E-02 -0.31405E-03 2176 0.530E-02 0.478E-02 DAV: 11 -0.497875488827E+03 -0.24969E-05 -0.20006E-04 2080 0.222E-02 0.190E-02 DAV: 12 -0.497875494516E+03 -0.56886E-05 -0.83681E-06 1536 0.956E-03 64 F= -.50293373E+03 E0= -.50291635E+03 d E =-.949891E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.497891446439E+03 -0.15958E-01 -0.28529E+01 1792 0.125E+01 0.127E+00 DAV: 2 -0.498010493519E+03 -0.11905E+00 -0.57073E-01 2176 0.172E+00 0.385E+00 DAV: 3 -0.497947966424E+03 0.62527E-01 -0.29780E-01 2144 0.596E-01 0.903E-01 DAV: 4 -0.497948836039E+03 -0.86961E-03 -0.75595E-02 2208 0.302E-01 0.974E-01 DAV: 5 -0.497944343887E+03 0.44922E-02 -0.13826E-01 2432 0.251E-01 0.887E-01 DAV: 6 -0.497934838834E+03 0.95051E-02 -0.16283E-02 2144 0.267E-01 0.102E-01 DAV: 7 -0.497934970683E+03 -0.13185E-03 -0.19429E-03 2176 0.955E-02 0.139E-01 DAV: 8 -0.497934823784E+03 0.14690E-03 -0.26585E-04 2080 0.385E-02 0.381E-02 DAV: 9 -0.497934814653E+03 0.91309E-05 -0.96359E-05 2144 0.207E-02 65 F= -.50299399E+03 E0= -.50297713E+03 d E =-.602568E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.497743126516E+03 0.19170E+00 -0.14076E+02 1792 0.278E+01 0.282E+00 DAV: 2 -0.498129565779E+03 -0.38644E+00 -0.28659E+00 2176 0.380E+00 0.462E+00 DAV: 3 -0.498028271641E+03 0.10129E+00 -0.95937E-01 2112 0.133E+00 0.180E+00 DAV: 4 -0.498018245418E+03 0.10026E-01 -0.27980E-01 2144 0.644E-01 0.147E+00 DAV: 5 -0.498006271279E+03 0.11974E-01 -0.36608E-01 2432 0.569E-01 0.125E+00 DAV: 6 -0.497973979503E+03 0.32292E-01 -0.33781E-02 2112 0.596E-01 0.784E-01 DAV: 7 -0.497977241455E+03 -0.32620E-02 -0.17642E-01 2304 0.345E-01 0.133E+00 DAV: 8 -0.497969638388E+03 0.76031E-02 -0.14827E-01 2112 0.210E-01 0.616E-01 DAV: 9 -0.497973633186E+03 -0.39948E-02 -0.12351E-01 2304 0.168E-01 0.967E-01 DAV: 10 -0.497966953148E+03 0.66800E-02 -0.15161E-02 2208 0.120E-01 0.220E-01 DAV: 11 -0.497966935252E+03 0.17895E-04 -0.13165E-03 2080 0.445E-02 0.234E-01 DAV: 12 -0.497966751488E+03 0.18376E-03 -0.71107E-04 2240 0.238E-02 0.112E-01 DAV: 13 -0.497966691773E+03 0.59715E-04 -0.34410E-04 2208 0.217E-02 0.399E-02 DAV: 14 -0.497966698959E+03 -0.71855E-05 -0.12597E-05 1760 0.110E-02 66 F= -.50302862E+03 E0= -.50301188E+03 d E =-.948941E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.497987546122E+03 -0.20854E-01 -0.19866E+01 1792 0.104E+01 0.101E+00 DAV: 2 -0.498050499515E+03 -0.62953E-01 -0.38671E-01 2176 0.140E+00 0.259E+00 DAV: 3 -0.498028957373E+03 0.21542E-01 -0.26017E-02 2240 0.472E-01 0.712E-01 DAV: 4 -0.498027989958E+03 0.96741E-03 -0.40680E-02 2208 0.235E-01 0.810E-01 DAV: 5 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DAV: 6 -0.498085177077E+03 0.30151E-01 -0.15461E-02 2272 0.377E-01 0.833E-01 DAV: 7 -0.498081650652E+03 0.35264E-02 -0.23178E-01 2304 0.373E-01 0.842E-01 DAV: 8 -0.498069191099E+03 0.12460E-01 -0.18066E-02 2208 0.201E-01 0.270E-01 DAV: 9 -0.498075305472E+03 -0.61144E-02 -0.28045E-02 2272 0.200E-01 0.110E+00 DAV: 10 -0.498069552294E+03 0.57532E-02 -0.86743E-02 2208 0.187E-01 0.453E-01 DAV: 11 -0.498067841493E+03 0.17108E-02 -0.62162E-03 2048 0.643E-02 0.221E-01 DAV: 12 -0.498067800627E+03 0.40866E-04 -0.52198E-03 2336 0.718E-02 0.370E-01 DAV: 13 -0.498067053717E+03 0.74691E-03 -0.24906E-03 2272 0.342E-02 0.751E-02 DAV: 14 -0.498067098294E+03 -0.44577E-04 -0.96905E-05 2176 0.122E-02 0.113E-01 DAV: 15 -0.498067041086E+03 0.57208E-04 -0.38714E-04 1728 0.126E-02 0.114E-02 DAV: 16 -0.498067060712E+03 -0.19625E-04 -0.45310E-05 1536 0.656E-03 0.416E-02 DAV: 17 -0.498067058285E+03 0.24265E-05 -0.14184E-05 1536 0.422E-03 68 F= -.50313283E+03 E0= -.50311714E+03 d E =-.104207E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.498108380828E+03 -0.41320E-01 -0.61232E+00 1792 0.587E+00 0.129E+00 DAV: 2 -0.498132787956E+03 -0.24407E-01 -0.15417E-01 2112 0.978E-01 0.953E-01 DAV: 3 -0.498118399279E+03 0.14389E-01 -0.25004E-02 2112 0.432E-01 0.584E-01 DAV: 4 -0.498147219515E+03 -0.28820E-01 -0.22523E-01 2464 0.354E-01 0.173E+00 DAV: 5 -0.498124296679E+03 0.22923E-01 -0.16565E-02 2144 0.284E-01 0.581E-01 DAV: 6 -0.498118514149E+03 0.57825E-02 -0.11172E-02 2144 0.271E-01 0.466E-01 DAV: 7 -0.498118380278E+03 0.13387E-03 -0.27943E-03 1984 0.139E-01 0.285E-01 DAV: 8 -0.498117458035E+03 0.92224E-03 -0.36385E-03 2176 0.593E-02 0.168E-01 DAV: 9 -0.498117252757E+03 0.20528E-03 -0.11486E-03 2400 0.550E-02 0.132E-01 DAV: 10 -0.498117127248E+03 0.12551E-03 -0.37685E-04 2080 0.248E-02 0.290E-02 DAV: 11 -0.498117151620E+03 -0.24372E-04 -0.12726E-04 1600 0.120E-02 0.546E-02 DAV: 12 -0.498117130965E+03 0.20655E-04 -0.48881E-05 1664 0.916E-03 0.920E-03 DAV: 13 -0.498117134250E+03 -0.32845E-05 -0.81374E-06 1536 0.390E-03 69 F= -.50318417E+03 E0= -.50316874E+03 d E =-.513411E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.498125123666E+03 -0.79927E-02 -0.72699E+00 1792 0.639E+00 0.139E+00 DAV: 2 -0.498152381223E+03 -0.27258E-01 -0.18235E-01 2144 0.106E+00 0.102E+00 DAV: 3 -0.498136510630E+03 0.15871E-01 -0.25323E-02 2208 0.451E-01 0.542E-01 DAV: 4 -0.498179515746E+03 -0.43005E-01 -0.17578E-01 2528 0.378E-01 0.285E+00 DAV: 5 -0.498140998233E+03 0.38518E-01 -0.10728E-02 2144 0.282E-01 0.680E-01 DAV: 6 -0.498149249940E+03 -0.82517E-02 -0.24573E-02 2208 0.308E-01 0.165E+00 DAV: 7 -0.498135897344E+03 0.13353E-01 -0.69641E-03 2080 0.221E-01 0.188E-01 DAV: 8 -0.498135561646E+03 0.33570E-03 -0.83560E-04 2080 0.625E-02 0.713E-02 DAV: 9 -0.498135533825E+03 0.27821E-04 -0.74597E-05 2304 0.191E-02 0.506E-02 DAV: 10 -0.498135513082E+03 0.20743E-04 -0.25271E-05 1888 0.183E-02 0.331E-02 DAV: 11 -0.498135510996E+03 0.20859E-05 -0.15868E-05 1632 0.788E-03 70 F= -.50320398E+03 E0= -.50318851E+03 d E =-.711524E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.498166722584E+03 -0.31210E-01 -0.29246E+00 1792 0.411E+00 0.693E-01 DAV: 2 -0.498175176716E+03 -0.84541E-02 -0.68453E-02 2176 0.608E-01 0.756E-01 DAV: 3 -0.498178846868E+03 -0.36702E-02 -0.87925E-03 2368 0.341E-01 0.488E-01 DAV: 4 -0.498174399452E+03 0.44474E-02 -0.26263E-03 2144 0.143E-01 0.349E-01 DAV: 5 -0.498173994360E+03 0.40509E-03 -0.36530E-03 2240 0.228E-01 0.620E-01 DAV: 6 -0.498172557625E+03 0.14367E-02 -0.13956E-02 2176 0.108E-01 0.449E-01 DAV: 7 -0.498171770649E+03 0.78698E-03 -0.49320E-03 2304 0.690E-02 0.136E-01 DAV: 8 -0.498171465795E+03 0.30485E-03 -0.12824E-04 2144 0.359E-02 0.453E-02 DAV: 9 -0.498171566978E+03 -0.10118E-03 -0.36366E-05 1824 0.270E-02 0.113E-01 DAV: 10 -0.498171460328E+03 0.10665E-03 -0.32055E-05 1728 0.178E-02 0.367E-02 DAV: 11 -0.498171452840E+03 0.74887E-05 -0.19627E-05 1728 0.862E-03 71 F= -.50324105E+03 E0= -.50322581E+03 d E =-.370697E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.498174371089E+03 -0.29108E-02 -0.23278E+01 1792 0.116E+01 0.193E+00 DAV: 2 -0.498227193456E+03 -0.52822E-01 -0.54205E-01 2176 0.169E+00 0.161E+00 DAV: 3 -0.498241418359E+03 -0.14225E-01 -0.70644E-02 2528 0.937E-01 0.100E+00 DAV: 4 -0.498228645544E+03 0.12773E-01 -0.25036E-02 2144 0.361E-01 0.579E-01 DAV: 5 -0.498217755445E+03 0.10890E-01 -0.22329E-02 2144 0.426E-01 0.406E-01 DAV: 6 -0.498216810781E+03 0.94466E-03 -0.32915E-02 2368 0.179E-01 0.464E-01 DAV: 7 -0.498212395839E+03 0.44149E-02 -0.78220E-03 2240 0.161E-01 0.167E-01 DAV: 8 -0.498212267670E+03 0.12817E-03 -0.11995E-03 2176 0.579E-02 0.144E-01 DAV: 9 -0.498212359960E+03 -0.92290E-04 -0.13626E-03 2144 0.716E-02 0.116E-01 DAV: 10 -0.498212221636E+03 0.13832E-03 -0.23017E-04 2176 0.632E-02 0.117E-01 DAV: 11 -0.498212136523E+03 0.85113E-04 -0.68665E-05 2176 0.366E-02 0.566E-02 DAV: 12 -0.498212110300E+03 0.26223E-04 -0.21362E-05 1824 0.225E-02 0.425E-02 DAV: 13 -0.498212124487E+03 -0.14187E-04 -0.25262E-05 1792 0.940E-03 0.409E-02 DAV: 14 -0.498212110878E+03 0.13610E-04 -0.92463E-06 1536 0.108E-02 0.764E-03 DAV: 15 -0.498212114490E+03 -0.36120E-05 -0.44020E-06 1408 0.508E-03 72 F= -.50328485E+03 E0= -.50327060E+03 d E =-.808638E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.498228866909E+03 -0.16756E-01 -0.93113E-01 1792 0.229E+00 0.337E-01 DAV: 2 -0.498230542233E+03 -0.16753E-02 -0.18679E-02 2176 0.302E-01 0.117E-01 DAV: 3 -0.498230941334E+03 -0.39910E-03 -0.66686E-04 2336 0.735E-02 0.245E-01 DAV: 4 -0.498230456544E+03 0.48479E-03 -0.62848E-04 2176 0.619E-02 0.927E-02 DAV: 5 -0.498230889697E+03 -0.43315E-03 -0.42005E-03 2240 0.537E-02 0.284E-01 DAV: 6 -0.498230377470E+03 0.51223E-03 -0.30698E-03 2240 0.367E-02 0.279E-02 DAV: 7 -0.498230372977E+03 0.44933E-05 -0.36734E-05 2080 0.141E-02 73 F= -.50330377E+03 E0= -.50328986E+03 d E =-.189270E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.498262989890E+03 -0.32612E-01 -0.83806E+00 1792 0.687E+00 0.103E+00 DAV: 2 -0.498277909185E+03 -0.14919E-01 -0.16880E-01 2176 0.908E-01 0.328E-01 DAV: 3 -0.498276864250E+03 0.10449E-02 -0.34549E-03 2208 0.153E-01 0.208E-01 DAV: 4 -0.498281077634E+03 -0.42134E-02 -0.26472E-02 2304 0.183E-01 0.660E-01 DAV: 5 -0.498277320034E+03 0.37576E-02 -0.24044E-02 2432 0.123E-01 0.223E-01 DAV: 6 -0.498276578086E+03 0.74195E-03 -0.23717E-03 2080 0.709E-02 0.835E-02 DAV: 7 -0.498276539394E+03 0.38692E-04 -0.55649E-04 2112 0.398E-02 0.371E-02 DAV: 8 -0.498276535022E+03 0.43721E-05 -0.52742E-05 2048 0.148E-02 74 F= -.50335192E+03 E0= -.50333844E+03 d E =-.670721E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.498274488905E+03 0.20505E-02 -0.33523E+01 1792 0.137E+01 0.212E+00 DAV: 2 -0.498334685988E+03 -0.60197E-01 -0.67989E-01 2176 0.182E+00 0.678E-01 DAV: 3 -0.498339646123E+03 -0.49601E-02 -0.61681E-02 2304 0.371E-01 0.125E+00 DAV: 4 -0.498333117951E+03 0.65282E-02 -0.15671E-01 2336 0.277E-01 0.681E-01 DAV: 5 -0.498334037021E+03 -0.91907E-03 -0.69355E-02 2272 0.311E-01 0.544E-01 DAV: 6 -0.498330358296E+03 0.36787E-02 -0.21331E-02 2272 0.177E-01 0.229E-01 DAV: 7 -0.498329361417E+03 0.99688E-03 -0.22559E-03 2272 0.102E-01 0.108E-01 DAV: 8 -0.498328848456E+03 0.51296E-03 -0.28735E-04 2176 0.585E-02 0.641E-02 DAV: 9 -0.498328696586E+03 0.15187E-03 -0.12387E-04 2240 0.414E-02 0.426E-02 DAV: 10 -0.498328695958E+03 0.62840E-06 -0.80426E-05 2112 0.253E-02 75 F= -.50340790E+03 E0= -.50339601E+03 d E =-.123055E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.498041046457E+03 0.28765E+00 -0.13398E+02 1792 0.275E+01 0.451E+00 DAV: 2 -0.498286906041E+03 -0.24586E+00 -0.28087E+00 2176 0.369E+00 0.132E+00 DAV: 3 -0.498268411438E+03 0.18495E-01 -0.60975E-02 2240 0.644E-01 0.867E-01 DAV: 4 -0.498294920306E+03 -0.26509E-01 -0.32835E-01 2368 0.632E-01 0.111E+00 DAV: 5 -0.498266164366E+03 0.28756E-01 -0.19675E-02 2432 0.383E-01 0.680E-01 DAV: 6 -0.498272496602E+03 -0.63322E-02 -0.19597E-01 2400 0.330E-01 0.793E-01 DAV: 7 -0.498263104286E+03 0.93923E-02 -0.96587E-03 2176 0.197E-01 0.344E-01 DAV: 8 -0.498262743617E+03 0.36067E-03 -0.17624E-02 2400 0.109E-01 0.250E-01 DAV: 9 -0.498263813972E+03 -0.10704E-02 -0.25919E-02 2304 0.100E-01 0.445E-01 DAV: 10 -0.498262361219E+03 0.14528E-02 -0.36943E-03 2240 0.577E-02 0.936E-02 DAV: 11 -0.498262320080E+03 0.41139E-04 -0.28132E-04 2112 0.257E-02 0.250E-02 DAV: 12 -0.498262326365E+03 -0.62855E-05 -0.14379E-05 1792 0.101E-02 76 F= -.50334854E+03 E0= -.50333819E+03 d E =-.636904E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.498206051826E+03 0.56268E-01 -0.77792E+01 1792 0.210E+01 0.324E+00 DAV: 2 -0.498349833828E+03 -0.14378E+00 -0.16352E+00 2176 0.281E+00 0.103E+00 DAV: 3 -0.498337575102E+03 0.12259E-01 -0.32424E-02 2208 0.508E-01 0.686E-01 DAV: 4 -0.498362600222E+03 -0.25025E-01 -0.14693E-01 2304 0.534E-01 0.187E+00 DAV: 5 -0.498338139267E+03 0.24461E-01 -0.17267E-02 2272 0.323E-01 0.640E-01 DAV: 6 -0.498336318806E+03 0.18205E-02 -0.65783E-02 2304 0.259E-01 0.581E-01 DAV: 7 -0.498334690298E+03 0.16285E-02 -0.18027E-02 2272 0.202E-01 0.162E-01 DAV: 8 -0.498334449387E+03 0.24091E-03 -0.90821E-04 2112 0.685E-02 0.995E-02 DAV: 9 -0.498334275485E+03 0.17390E-03 -0.15483E-04 2176 0.454E-02 0.748E-02 DAV: 10 -0.498334119773E+03 0.15571E-03 -0.72604E-05 2176 0.326E-02 0.410E-02 DAV: 11 -0.498334065763E+03 0.54010E-04 -0.23384E-05 1888 0.194E-02 0.197E-02 DAV: 12 -0.498334054848E+03 0.10916E-04 -0.90406E-06 1504 0.130E-02 0.844E-03 DAV: 13 -0.498334054950E+03 -0.10276E-06 -0.10255E-05 1568 0.102E-02 77 F= -.50341500E+03 E0= -.50340327E+03 d E =-.130148E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.498368153074E+03 -0.34098E-01 -0.81995E+00 1792 0.682E+00 0.864E-01 DAV: 2 -0.498384066549E+03 -0.15913E-01 -0.17880E-01 2208 0.956E-01 0.533E-01 DAV: 3 -0.498383840339E+03 0.22621E-03 -0.75432E-03 2176 0.240E-01 0.384E-01 DAV: 4 -0.498390514241E+03 -0.66739E-02 -0.67769E-02 2208 0.223E-01 0.856E-01 DAV: 5 -0.498382804858E+03 0.77094E-02 -0.46694E-02 2304 0.165E-01 0.282E-01 DAV: 6 -0.498382629505E+03 0.17535E-03 -0.85787E-03 2208 0.855E-02 0.155E-01 DAV: 7 -0.498382474318E+03 0.15519E-03 -0.22421E-03 2176 0.572E-02 0.777E-02 DAV: 8 -0.498382427343E+03 0.46975E-04 -0.18782E-04 2080 0.277E-02 0.185E-02 DAV: 9 -0.498382419674E+03 0.76684E-05 -0.30244E-05 2016 0.140E-02 78 F= -.50346509E+03 E0= -.50345340E+03 d E =-.500905E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.498357809686E+03 0.24618E-01 -0.36944E+01 1792 0.145E+01 0.180E+00 DAV: 2 -0.498429445142E+03 -0.71635E-01 -0.81038E-01 2208 0.203E+00 0.111E+00 DAV: 3 -0.498426426390E+03 0.30188E-02 -0.25387E-02 2304 0.453E-01 0.742E-01 DAV: 4 -0.498450162003E+03 -0.23736E-01 -0.23217E-01 2336 0.457E-01 0.145E+00 DAV: 5 -0.498424499959E+03 0.25662E-01 -0.28093E-02 2400 0.384E-01 0.282E-01 DAV: 6 -0.498425602414E+03 -0.11025E-02 -0.30505E-02 2112 0.204E-01 0.564E-01 DAV: 7 -0.498423898321E+03 0.17041E-02 -0.23673E-02 2272 0.122E-01 0.197E-01 DAV: 8 -0.498423132210E+03 0.76611E-03 -0.47380E-04 2144 0.765E-02 0.145E-01 DAV: 9 -0.498422543038E+03 0.58917E-03 -0.53997E-04 2464 0.102E-01 0.812E-02 DAV: 10 -0.498422551413E+03 -0.83750E-05 -0.13613E-03 2176 0.353E-02 0.864E-02 DAV: 11 -0.498422526200E+03 0.25213E-04 -0.22257E-04 2144 0.207E-02 0.203E-02 DAV: 12 -0.498422520920E+03 0.52802E-05 -0.91519E-05 1888 0.179E-02 79 F= -.50350877E+03 E0= -.50349718E+03 d E =-.937771E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.498453791535E+03 -0.31265E-01 -0.83945E+00 1792 0.677E+00 0.780E-01 DAV: 2 -0.498469777003E+03 -0.15985E-01 -0.17706E-01 2208 0.922E-01 0.434E-01 DAV: 3 -0.498469900739E+03 -0.12374E-03 -0.11457E-02 2304 0.194E-01 0.454E-01 DAV: 4 -0.498473696745E+03 -0.37960E-02 -0.74332E-02 2368 0.165E-01 0.734E-01 DAV: 5 -0.498468635008E+03 0.50617E-02 -0.11517E-02 2304 0.131E-01 0.145E-01 DAV: 6 -0.498468606611E+03 0.28398E-04 -0.92506E-04 2112 0.779E-02 0.483E-02 DAV: 7 -0.498468590786E+03 0.15825E-04 -0.29338E-04 2112 0.373E-02 0.409E-02 DAV: 8 -0.498468582881E+03 0.79049E-05 -0.13759E-04 2080 0.131E-02 0.209E-02 DAV: 9 -0.498468580854E+03 0.20266E-05 -0.32996E-05 1536 0.746E-03 80 F= -.50355657E+03 E0= -.50354532E+03 d E =-.477982E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.498415349266E+03 0.53234E-01 -0.56704E+01 1792 0.176E+01 0.207E+00 DAV: 2 -0.498523932991E+03 -0.10858E+00 -0.12017E+00 2208 0.239E+00 0.110E+00 DAV: 3 -0.498518268238E+03 0.56648E-02 -0.23022E-02 2176 0.407E-01 0.728E-01 DAV: 4 -0.498539719044E+03 -0.21451E-01 -0.14900E-01 2400 0.450E-01 0.114E+00 DAV: 5 -0.498517659550E+03 0.22059E-01 -0.15349E-02 2400 0.303E-01 0.447E-01 DAV: 6 -0.498517953310E+03 -0.29376E-03 -0.44900E-02 2176 0.194E-01 0.497E-01 DAV: 7 -0.498516652776E+03 0.13005E-02 -0.20198E-02 2240 0.138E-01 0.180E-01 DAV: 8 -0.498516387343E+03 0.26543E-03 -0.10424E-03 2112 0.498E-02 0.476E-02 DAV: 9 -0.498516339576E+03 0.47768E-04 -0.96847E-05 2304 0.325E-02 0.409E-02 DAV: 10 -0.498516313580E+03 0.25995E-04 -0.11787E-04 2080 0.233E-02 0.901E-03 DAV: 11 -0.498516314787E+03 -0.12071E-05 -0.18359E-05 1600 0.856E-03 81 F= -.50360896E+03 E0= -.50359841E+03 d E =-.100183E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.498544626580E+03 -0.28313E-01 -0.92981E+00 1792 0.713E+00 0.880E-01 DAV: 2 -0.498562583615E+03 -0.17957E-01 -0.19600E-01 2176 0.969E-01 0.419E-01 DAV: 3 -0.498562826689E+03 -0.24307E-03 -0.12689E-02 2336 0.182E-01 0.477E-01 DAV: 4 -0.498565613409E+03 -0.27867E-02 -0.74765E-02 2400 0.159E-01 0.679E-01 DAV: 5 -0.498561425932E+03 0.41875E-02 -0.70333E-03 2336 0.136E-01 0.143E-01 DAV: 6 -0.498561376040E+03 0.49892E-04 -0.23108E-03 2176 0.635E-02 0.692E-02 DAV: 7 -0.498561352313E+03 0.23727E-04 -0.33337E-04 2144 0.230E-02 0.244E-02 DAV: 8 -0.498561352685E+03 -0.37208E-06 -0.79255E-05 1472 0.112E-02 82 F= -.50365590E+03 E0= -.50364547E+03 d E =-.469404E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.498506267876E+03 0.55084E-01 -0.56844E+01 1792 0.176E+01 0.222E+00 DAV: 2 -0.498617231992E+03 -0.11096E+00 -0.12150E+00 2176 0.242E+00 0.102E+00 DAV: 3 -0.498612943494E+03 0.42885E-02 -0.37206E-02 2272 0.441E-01 0.775E-01 DAV: 4 -0.498634952910E+03 -0.22009E-01 -0.34590E-01 2464 0.458E-01 0.964E-01 DAV: 5 -0.498617386507E+03 0.17566E-01 -0.93543E-03 2272 0.278E-01 0.779E-01 DAV: 6 -0.498617507262E+03 -0.12075E-03 -0.20468E-01 2528 0.325E-01 0.765E-01 DAV: 7 -0.498609004530E+03 0.85027E-02 -0.13793E-02 2176 0.163E-01 0.882E-02 DAV: 8 -0.498609090812E+03 -0.86282E-04 -0.22369E-03 2144 0.523E-02 0.136E-01 DAV: 9 -0.498609288175E+03 -0.19736E-03 -0.63897E-03 2304 0.531E-02 0.231E-01 DAV: 10 -0.498609187674E+03 0.10050E-03 -0.93555E-03 2272 0.564E-02 0.199E-01 DAV: 11 -0.498608923078E+03 0.26460E-03 -0.19109E-03 2208 0.323E-02 0.194E-02 DAV: 12 -0.498608923268E+03 -0.19012E-06 -0.86216E-05 1888 0.145E-02 83 F= -.50370859E+03 E0= -.50369812E+03 d E =-.996349E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.498631573510E+03 -0.22650E-01 -0.83367E+00 1792 0.680E+00 0.107E+00 DAV: 2 -0.498648108035E+03 -0.16535E-01 -0.18744E-01 2176 0.961E-01 0.536E-01 DAV: 3 -0.498647843448E+03 0.26459E-03 -0.10999E-02 2336 0.177E-01 0.491E-01 DAV: 4 -0.498654924321E+03 -0.70809E-02 -0.10415E-01 2720 0.203E-01 0.794E-01 DAV: 5 -0.498647526436E+03 0.73979E-02 -0.52783E-03 2400 0.156E-01 0.358E-01 DAV: 6 -0.498646704648E+03 0.82179E-03 -0.11226E-02 2176 0.953E-02 0.126E-01 DAV: 7 -0.498646612415E+03 0.92233E-04 -0.72904E-04 2080 0.373E-02 0.412E-02 DAV: 8 -0.498646614271E+03 -0.18561E-05 -0.44536E-05 2240 0.111E-02 84 F= -.50374852E+03 E0= -.50373796E+03 d E =-.399313E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.498638589923E+03 0.80225E-02 -0.11391E+01 1792 0.795E+00 0.125E+00 DAV: 2 -0.498661645312E+03 -0.23055E-01 -0.25882E-01 2176 0.113E+00 0.635E-01 DAV: 3 -0.498665808688E+03 -0.41634E-02 -0.47558E-02 2368 0.252E-01 0.794E-01 DAV: 4 -0.498663575819E+03 0.22329E-02 -0.12108E-01 2592 0.218E-01 0.703E-01 DAV: 5 -0.498660500320E+03 0.30755E-02 -0.21488E-02 2432 0.202E-01 0.265E-01 DAV: 6 -0.498659456645E+03 0.10437E-02 -0.17991E-03 2144 0.125E-01 0.704E-02 DAV: 7 -0.498659422580E+03 0.34065E-04 -0.57963E-04 2112 0.487E-02 0.556E-02 DAV: 8 -0.498659417084E+03 0.54968E-05 -0.58449E-05 2144 0.168E-02 85 F= -.50376414E+03 E0= -.50375353E+03 d E =-.555511E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.498681352825E+03 -0.21930E-01 -0.85013E+00 1792 0.672E+00 0.814E-01 DAV: 2 -0.498696786922E+03 -0.15434E-01 -0.17946E-01 2176 0.922E-01 0.427E-01 DAV: 3 -0.498696160901E+03 0.62602E-03 -0.62264E-03 2272 0.169E-01 0.296E-01 DAV: 4 -0.498702178269E+03 -0.60174E-02 -0.49048E-02 2368 0.187E-01 0.719E-01 DAV: 5 -0.498696107393E+03 0.60709E-02 -0.12226E-02 2432 0.137E-01 0.167E-01 DAV: 6 -0.498695832608E+03 0.27478E-03 -0.27215E-03 2144 0.955E-02 0.805E-02 DAV: 7 -0.498695811105E+03 0.21504E-04 -0.88954E-04 2144 0.452E-02 0.679E-02 DAV: 8 -0.498695783342E+03 0.27763E-04 -0.17295E-04 2208 0.191E-02 0.263E-02 DAV: 9 -0.498695804654E+03 -0.21312E-04 -0.13889E-04 1792 0.135E-02 0.567E-02 DAV: 10 -0.498695785166E+03 0.19487E-04 -0.15516E-04 1632 0.122E-02 0.458E-03 DAV: 11 -0.498695786598E+03 -0.14320E-05 -0.87195E-06 1408 0.438E-03 86 F= -.50380371E+03 E0= -.50379308E+03 d E =-.395650E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.498663909330E+03 0.31876E-01 -0.41361E+01 1792 0.148E+01 0.176E+00 DAV: 2 -0.498739062122E+03 -0.75153E-01 -0.87371E-01 2176 0.203E+00 0.943E-01 DAV: 3 -0.498735377133E+03 0.36850E-02 -0.33771E-02 2208 0.378E-01 0.558E-01 DAV: 4 -0.498737228719E+03 -0.18516E-02 -0.34716E-02 2208 0.342E-01 0.610E-01 DAV: 5 -0.498739550557E+03 -0.23218E-02 -0.12839E-01 2400 0.242E-01 0.714E-01 DAV: 6 -0.498733796405E+03 0.57542E-02 -0.24523E-02 2304 0.160E-01 0.138E-01 DAV: 7 -0.498733793782E+03 0.26232E-05 -0.24348E-03 2176 0.766E-02 0.961E-02 DAV: 8 -0.498733732493E+03 0.61289E-04 -0.47975E-04 2144 0.347E-02 0.389E-02 DAV: 9 -0.498733738185E+03 -0.56923E-05 -0.18721E-04 2240 0.236E-02 0.380E-02 DAV: 10 -0.498733727104E+03 0.11082E-04 -0.59100E-05 1792 0.124E-02 0.509E-03 DAV: 11 -0.498733728628E+03 -0.15242E-05 -0.29374E-06 1440 0.399E-03 87 F= -.50384922E+03 E0= -.50383858E+03 d E =-.850734E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.498761718483E+03 -0.27991E-01 -0.11598E+01 1792 0.784E+00 0.138E+00 DAV: 2 -0.498785246322E+03 -0.23528E-01 -0.27160E-01 2176 0.117E+00 0.831E-01 DAV: 3 -0.498781670496E+03 0.35758E-02 -0.10486E-02 2112 0.290E-01 0.400E-01 DAV: 4 -0.498783941081E+03 -0.22706E-02 -0.21202E-02 2176 0.246E-01 0.523E-01 DAV: 5 -0.498781647191E+03 0.22939E-02 -0.23980E-02 2240 0.133E-01 0.262E-01 DAV: 6 -0.498781455137E+03 0.19205E-03 -0.10732E-02 2144 0.117E-01 0.176E-01 DAV: 7 -0.498781158100E+03 0.29704E-03 -0.22980E-03 2048 0.645E-02 0.435E-02 DAV: 8 -0.498781149532E+03 0.85680E-05 -0.13059E-04 2080 0.188E-02 0.208E-02 DAV: 9 -0.498781147185E+03 0.23477E-05 -0.14449E-05 1568 0.116E-02 88 F= -.50389978E+03 E0= -.50388913E+03 d E =-.505598E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.498779505424E+03 0.16441E-02 -0.58288E+00 1792 0.557E+00 0.979E-01 DAV: 2 -0.498791409810E+03 -0.11904E-01 -0.15085E-01 2176 0.829E-01 0.591E-01 DAV: 3 -0.498789596669E+03 0.18131E-02 -0.71294E-03 2112 0.215E-01 0.304E-01 DAV: 4 -0.498795117904E+03 -0.55212E-02 -0.34051E-02 2272 0.193E-01 0.705E-01 DAV: 5 -0.498789404493E+03 0.57134E-02 -0.22885E-02 2304 0.134E-01 0.135E-01 DAV: 6 -0.498789359071E+03 0.45422E-04 -0.14846E-03 2176 0.545E-02 0.526E-02 DAV: 7 -0.498789354471E+03 0.46000E-05 -0.31700E-04 2304 0.235E-02 0.346E-02 DAV: 8 -0.498789349085E+03 0.53861E-05 -0.77912E-05 1792 0.167E-02 89 F= -.50391030E+03 E0= -.50389965E+03 d E =-.610881E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.498807471691E+03 -0.18117E-01 -0.10472E+01 1792 0.739E+00 0.106E+00 DAV: 2 -0.498827005727E+03 -0.19534E-01 -0.22498E-01 2176 0.103E+00 0.602E-01 DAV: 3 -0.498825865804E+03 0.11399E-02 -0.10653E-02 2176 0.221E-01 0.394E-01 DAV: 4 -0.498837854542E+03 -0.11989E-01 -0.11158E-01 2464 0.263E-01 0.820E-01 DAV: 5 -0.498825578205E+03 0.12276E-01 -0.78617E-03 2400 0.171E-01 0.286E-01 DAV: 6 -0.498826018159E+03 -0.43995E-03 -0.22112E-02 2208 0.104E-01 0.358E-01 DAV: 7 -0.498825203582E+03 0.81458E-03 -0.95094E-03 2240 0.660E-02 0.109E-01 DAV: 8 -0.498825279732E+03 -0.76150E-04 -0.32157E-04 2176 0.283E-02 0.165E-01 DAV: 9 -0.498825099109E+03 0.18062E-03 -0.10862E-03 2240 0.232E-02 0.141E-02 DAV: 10 -0.498825122327E+03 -0.23219E-04 -0.16657E-04 1632 0.125E-02 0.574E-02 DAV: 11 -0.498825103583E+03 0.18744E-04 -0.12737E-04 1568 0.832E-03 0.451E-03 DAV: 12 -0.498825106736E+03 -0.31526E-05 -0.27354E-06 1536 0.288E-03 90 F= -.50394908E+03 E0= -.50393842E+03 d E =-.387719E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.498795760912E+03 0.29343E-01 -0.29380E+01 1792 0.124E+01 0.181E+00 DAV: 2 -0.498849982976E+03 -0.54222E-01 -0.62757E-01 2176 0.172E+00 0.101E+00 DAV: 3 -0.498845427136E+03 0.45558E-02 -0.14972E-02 2208 0.348E-01 0.487E-01 DAV: 4 -0.498846118311E+03 -0.69117E-03 -0.15733E-02 2208 0.256E-01 0.444E-01 DAV: 5 -0.498846221391E+03 -0.10308E-03 -0.39486E-02 2240 0.138E-01 0.444E-01 DAV: 6 -0.498844842036E+03 0.13794E-02 -0.69809E-03 2176 0.976E-02 0.638E-02 DAV: 7 -0.498844825033E+03 0.17003E-04 -0.28233E-04 2176 0.349E-02 0.401E-02 DAV: 8 -0.498844816195E+03 0.88381E-05 -0.45492E-05 2208 0.164E-02 91 F= -.50397401E+03 E0= -.50396335E+03 d E =-.637092E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.498864463409E+03 -0.19638E-01 -0.17973E+01 1792 0.959E+00 0.109E+00 DAV: 2 -0.498896622996E+03 -0.32160E-01 -0.37104E-01 2176 0.131E+00 0.654E-01 DAV: 3 -0.498894613410E+03 0.20096E-02 -0.12582E-02 2176 0.243E-01 0.372E-01 DAV: 4 -0.498894947684E+03 -0.33427E-03 -0.12448E-02 2208 0.233E-01 0.358E-01 DAV: 5 -0.498897186268E+03 -0.22386E-02 -0.54075E-02 2432 0.175E-01 0.618E-01 DAV: 6 -0.498893916950E+03 0.32693E-02 -0.15022E-02 2368 0.104E-01 0.102E-01 DAV: 7 -0.498893826069E+03 0.90881E-04 -0.79000E-04 2112 0.497E-02 0.483E-02 DAV: 8 -0.498893816761E+03 0.93084E-05 -0.91201E-05 2240 0.192E-02 92 F= -.50402753E+03 E0= -.50401686E+03 d E =-.535155E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.498838774210E+03 0.55052E-01 -0.47400E+01 1792 0.156E+01 0.176E+00 DAV: 2 -0.498924040458E+03 -0.85266E-01 -0.98018E-01 2176 0.213E+00 0.107E+00 DAV: 3 -0.498919508164E+03 0.45323E-02 -0.27282E-02 2176 0.422E-01 0.666E-01 DAV: 4 -0.498934400968E+03 -0.14893E-01 -0.15778E-01 2208 0.441E-01 0.915E-01 DAV: 5 -0.498918220854E+03 0.16180E-01 -0.23171E-02 2336 0.296E-01 0.471E-01 DAV: 6 -0.498917301674E+03 0.91918E-03 -0.87365E-03 2240 0.248E-01 0.358E-01 DAV: 7 -0.498919179415E+03 -0.18777E-02 -0.45052E-02 2336 0.147E-01 0.563E-01 DAV: 8 -0.498916329745E+03 0.28497E-02 -0.47656E-03 2176 0.883E-02 0.142E-01 DAV: 9 -0.498916580271E+03 -0.25053E-03 -0.74011E-04 2176 0.326E-02 0.257E-01 DAV: 10 -0.498916208338E+03 0.37193E-03 -0.11663E-03 2336 0.699E-02 0.175E-01 DAV: 11 -0.498916018463E+03 0.18987E-03 -0.14069E-03 2272 0.313E-02 0.395E-02 DAV: 12 -0.498915985270E+03 0.33193E-04 -0.33652E-05 2144 0.185E-02 0.185E-02 DAV: 13 -0.498915985969E+03 -0.69873E-06 -0.29005E-05 1504 0.611E-03 93 F= -.50405659E+03 E0= -.50404591E+03 d E =-.825731E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.498922239442E+03 -0.62542E-02 -0.19380E+01 1792 0.999E+00 0.137E+00 DAV: 2 -0.498958871034E+03 -0.36632E-01 -0.41194E-01 2176 0.140E+00 0.832E-01 DAV: 3 -0.498958030335E+03 0.84070E-03 -0.16810E-02 2240 0.352E-01 0.509E-01 DAV: 4 -0.498963186844E+03 -0.51565E-02 -0.75062E-02 2208 0.329E-01 0.799E-01 DAV: 5 -0.498956329054E+03 0.68578E-02 -0.62863E-02 2336 0.222E-01 0.444E-01 DAV: 6 -0.498954886983E+03 0.14421E-02 -0.16890E-02 2208 0.141E-01 0.196E-01 DAV: 7 -0.498954893614E+03 -0.66311E-05 -0.77091E-03 2240 0.695E-02 0.191E-01 DAV: 8 -0.498954731927E+03 0.16169E-03 -0.24502E-03 2336 0.498E-02 0.792E-02 DAV: 9 -0.498954645303E+03 0.86623E-04 -0.27018E-04 2176 0.367E-02 0.316E-02 DAV: 10 -0.498954640178E+03 0.51258E-05 -0.35476E-05 2016 0.144E-02 94 F= -.50409961E+03 E0= -.50408892E+03 d E =-.430203E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.498950984426E+03 0.36609E-02 -0.38265E+00 1792 0.445E+00 0.610E-01 DAV: 2 -0.498958419814E+03 -0.74354E-02 -0.82637E-02 2176 0.628E-01 0.395E-01 DAV: 3 -0.498960688500E+03 -0.22687E-02 -0.24464E-02 2400 0.194E-01 0.590E-01 DAV: 4 -0.498960438068E+03 0.25043E-03 -0.73662E-02 2272 0.155E-01 0.594E-01 DAV: 5 -0.498957842712E+03 0.25954E-02 -0.14037E-02 2336 0.146E-01 0.215E-01 DAV: 6 -0.498957400184E+03 0.44253E-03 -0.90775E-04 2080 0.861E-02 0.526E-02 DAV: 7 -0.498957363302E+03 0.36882E-04 -0.17916E-04 2048 0.361E-02 0.257E-02 DAV: 8 -0.498957363019E+03 0.28347E-06 -0.20031E-05 1856 0.996E-03 95 F= -.50410416E+03 E0= -.50409348E+03 d E =-.475759E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.498973719873E+03 -0.16357E-01 -0.21516E+00 1792 0.346E+00 0.840E-01 DAV: 2 -0.498978170691E+03 -0.44508E-02 -0.53539E-02 2240 0.512E-01 0.289E-01 DAV: 3 -0.498978139192E+03 0.31499E-04 -0.60872E-03 2272 0.157E-01 0.195E-01 DAV: 4 -0.498978039054E+03 0.10014E-03 -0.67495E-03 2112 0.118E-01 0.247E-01 DAV: 5 -0.498978459499E+03 -0.42044E-03 -0.18129E-02 2336 0.803E-02 0.342E-01 DAV: 6 -0.498977552755E+03 0.90674E-03 -0.42658E-03 2368 0.578E-02 0.431E-02 DAV: 7 -0.498977546175E+03 0.65795E-05 -0.96551E-05 2016 0.266E-02 96 F= -.50412486E+03 E0= -.50411417E+03 d E =-.207021E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.498980135876E+03 -0.25831E-02 -0.20833E+00 1792 0.341E+00 0.818E-01 DAV: 2 -0.498984449161E+03 -0.43133E-02 -0.51753E-02 2272 0.504E-01 0.285E-01 DAV: 3 -0.498984519254E+03 -0.70093E-04 -0.80809E-03 2304 0.163E-01 0.195E-01 DAV: 4 -0.498983870670E+03 0.64858E-03 -0.34595E-03 2048 0.115E-01 0.964E-02 DAV: 5 -0.498983889262E+03 -0.18592E-04 -0.10551E-03 2176 0.581E-02 0.121E-01 DAV: 6 -0.498983871131E+03 0.18131E-04 -0.25318E-03 2272 0.310E-02 0.114E-01 DAV: 7 -0.498983782812E+03 0.88319E-04 -0.50332E-04 2272 0.291E-02 0.291E-02 DAV: 8 -0.498983772635E+03 0.10177E-04 -0.25891E-05 1824 0.144E-02 0.119E-02 DAV: 9 -0.498983779684E+03 -0.70494E-05 -0.83452E-06 1664 0.831E-03 97 F= -.50413159E+03 E0= -.50412087E+03 d E =-.274320E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.498998537398E+03 -0.14765E-01 -0.15934E+00 1792 0.295E+00 0.505E-01 DAV: 2 -0.499002062131E+03 -0.35247E-02 -0.39717E-02 2176 0.438E-01 0.319E-01 DAV: 3 -0.499001815277E+03 0.24685E-03 -0.49449E-03 2048 0.154E-01 0.252E-01 DAV: 4 -0.499001738712E+03 0.76565E-04 -0.23926E-03 2144 0.132E-01 0.197E-01 DAV: 5 -0.499003666049E+03 -0.19273E-02 -0.18904E-02 2304 0.104E-01 0.544E-01 DAV: 6 -0.499001179291E+03 0.24868E-02 -0.64457E-03 2272 0.778E-02 0.363E-02 DAV: 7 -0.499001189181E+03 -0.98905E-05 -0.17047E-04 2176 0.288E-02 0.286E-02 DAV: 8 -0.499001184091E+03 0.50905E-05 -0.29440E-05 1664 0.108E-02 98 F= -.50414888E+03 E0= -.50413815E+03 d E =-.172862E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.499007026779E+03 -0.58376E-02 -0.85244E+00 1792 0.683E+00 0.118E+00 DAV: 2 -0.499025620175E+03 -0.18593E-01 -0.19289E-01 2144 0.102E+00 0.716E-01 DAV: 3 -0.499021666959E+03 0.39532E-02 -0.15384E-02 2048 0.304E-01 0.383E-01 DAV: 4 -0.499025863897E+03 -0.41969E-02 -0.31644E-02 2048 0.212E-01 0.688E-01 DAV: 5 -0.499024022303E+03 0.18416E-02 -0.84360E-02 2336 0.170E-01 0.581E-01 DAV: 6 -0.499021611644E+03 0.24107E-02 -0.11383E-02 2112 0.146E-01 0.196E-01 DAV: 7 -0.499021241162E+03 0.37048E-03 -0.81391E-04 2048 0.914E-02 0.698E-02 DAV: 8 -0.499021131387E+03 0.10978E-03 -0.18099E-04 1984 0.361E-02 0.215E-02 DAV: 9 -0.499021130117E+03 0.12703E-05 -0.27559E-05 2176 0.120E-02 99 F= -.50416852E+03 E0= -.50415778E+03 d E =-.369219E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.499035019067E+03 -0.13888E-01 -0.21160E+00 1792 0.334E+00 0.490E-01 DAV: 2 -0.499038854103E+03 -0.38350E-02 -0.47200E-02 2176 0.473E-01 0.263E-01 DAV: 3 -0.499038629118E+03 0.22498E-03 -0.18953E-03 2112 0.110E-01 0.188E-01 DAV: 4 -0.499040142149E+03 -0.15130E-02 -0.13472E-02 2176 0.120E-01 0.428E-01 DAV: 5 -0.499039078093E+03 0.10641E-02 -0.26127E-02 2624 0.945E-02 0.264E-01 DAV: 6 -0.499038332995E+03 0.74510E-03 -0.37755E-03 2272 0.759E-02 0.537E-02 DAV: 7 -0.499038314374E+03 0.18621E-04 -0.19423E-04 2080 0.238E-02 0.184E-02 DAV: 8 -0.499038313017E+03 0.13568E-05 -0.17951E-05 1664 0.853E-03 100 F= -.50418552E+03 E0= -.50417479E+03 d E =-.170028E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.499040830298E+03 -0.25159E-02 -0.34129E+00 1792 0.425E+00 0.623E-01 DAV: 2 -0.499047001170E+03 -0.61709E-02 -0.76210E-02 2176 0.601E-01 0.335E-01 DAV: 3 -0.499046910062E+03 0.91108E-04 -0.59110E-03 2240 0.143E-01 0.321E-01 DAV: 4 -0.499049273714E+03 -0.23637E-02 -0.40500E-02 2272 0.142E-01 0.570E-01 DAV: 5 -0.499047724564E+03 0.15492E-02 -0.13814E-02 2336 0.128E-01 0.347E-01 DAV: 6 -0.499046131093E+03 0.15935E-02 -0.20412E-03 2176 0.112E-01 0.853E-02 DAV: 7 -0.499046103916E+03 0.27177E-04 -0.73934E-04 2176 0.369E-02 0.409E-02 DAV: 8 -0.499046092848E+03 0.11068E-04 -0.45049E-05 2112 0.120E-02 0.196E-02 DAV: 9 -0.499046090260E+03 0.25878E-05 -0.16535E-05 1664 0.987E-03 101 F= -.50419303E+03 E0= -.50418230E+03 d E =-.245188E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.499055875213E+03 -0.97824E-02 -0.22690E+00 1792 0.358E+00 0.590E-01 DAV: 2 -0.499060597970E+03 -0.47228E-02 -0.48487E-02 2176 0.500E-01 0.438E-01 DAV: 3 -0.499061640669E+03 -0.10427E-02 -0.40511E-03 2304 0.214E-01 0.328E-01 DAV: 4 -0.499059497764E+03 0.21429E-02 -0.53295E-03 2208 0.153E-01 0.137E-01 DAV: 5 -0.499061552538E+03 -0.20548E-02 -0.11891E-02 2400 0.113E-01 0.460E-01 DAV: 6 -0.499059670238E+03 0.18823E-02 -0.75253E-03 2336 0.688E-02 0.109E-01 DAV: 7 -0.499059541221E+03 0.12902E-03 -0.26622E-04 2176 0.519E-02 0.430E-02 DAV: 8 -0.499059509545E+03 0.31676E-04 -0.68516E-05 2112 0.232E-02 0.140E-02 DAV: 9 -0.499059510487E+03 -0.94221E-06 -0.96789E-06 1504 0.892E-03 102 F= -.50420638E+03 E0= -.50419565E+03 d E =-.133407E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.499058832539E+03 0.67701E-03 -0.62677E+00 1792 0.594E+00 0.983E-01 DAV: 2 -0.499072476905E+03 -0.13644E-01 -0.13432E-01 2176 0.834E-01 0.771E-01 DAV: 3 -0.499074509651E+03 -0.20327E-02 -0.12153E-02 2432 0.375E-01 0.523E-01 DAV: 4 -0.499069592605E+03 0.49170E-02 -0.60750E-03 2144 0.224E-01 0.286E-01 DAV: 5 -0.499075191883E+03 -0.55993E-02 -0.36957E-02 2400 0.260E-01 0.585E-01 DAV: 6 -0.499070667521E+03 0.45244E-02 -0.10826E-02 2272 0.136E-01 0.377E-01 DAV: 7 -0.499069031192E+03 0.16363E-02 -0.14238E-03 2176 0.137E-01 0.967E-02 DAV: 8 -0.499068881087E+03 0.15011E-03 -0.56201E-04 2112 0.426E-02 0.559E-02 DAV: 9 -0.499068854682E+03 0.26405E-04 -0.15123E-04 2208 0.174E-02 0.349E-02 DAV: 10 -0.499068842320E+03 0.12362E-04 -0.13525E-04 1792 0.186E-02 0.338E-02 DAV: 11 -0.499068837166E+03 0.51543E-05 -0.16517E-04 1504 0.911E-03 0.169E-02 DAV: 12 -0.499068835952E+03 0.12133E-05 -0.41137E-05 1440 0.484E-03 103 F= -.50421551E+03 E0= -.50420487E+03 d E =-.224770E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.499082072955E+03 -0.13236E-01 -0.23936E+00 1792 0.369E+00 0.460E-01 DAV: 2 -0.499086400415E+03 -0.43275E-02 -0.48609E-02 2176 0.502E-01 0.244E-01 DAV: 3 -0.499086695209E+03 -0.29479E-03 -0.15832E-03 2112 0.127E-01 0.263E-01 DAV: 4 -0.499086296961E+03 0.39825E-03 -0.17493E-03 2144 0.116E-01 0.176E-01 DAV: 5 -0.499086887600E+03 -0.59064E-03 -0.81587E-03 2272 0.829E-02 0.361E-01 DAV: 6 -0.499085899991E+03 0.98761E-03 -0.43835E-03 2400 0.533E-02 0.452E-02 DAV: 7 -0.499085888471E+03 0.11521E-04 -0.81101E-05 2176 0.237E-02 0.177E-02 DAV: 8 -0.499085887026E+03 0.14449E-05 -0.14446E-05 1536 0.943E-03 104 F= -.50423235E+03 E0= -.50422174E+03 d E =-.168434E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.499087625333E+03 -0.17369E-02 -0.49511E+00 1792 0.530E+00 0.660E-01 DAV: 2 -0.499096624708E+03 -0.89994E-02 -0.10122E-01 2176 0.724E-01 0.350E-01 DAV: 3 -0.499097187786E+03 -0.56308E-03 -0.29395E-03 2208 0.180E-01 0.375E-01 DAV: 4 -0.499096401301E+03 0.78649E-03 -0.21713E-03 2144 0.165E-01 0.231E-01 DAV: 5 -0.499095852284E+03 0.54902E-03 -0.25568E-03 2112 0.932E-02 0.181E-01 DAV: 6 -0.499095772499E+03 0.79785E-04 -0.48443E-03 2304 0.502E-02 0.156E-01 DAV: 7 -0.499095578412E+03 0.19409E-03 -0.76657E-04 2112 0.399E-02 0.332E-02 DAV: 8 -0.499095569776E+03 0.86359E-05 -0.43960E-05 2112 0.169E-02 105 F= -.50424164E+03 E0= -.50423106E+03 d E =-.261238E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.499106302658E+03 -0.10724E-01 -0.35712E+00 1792 0.444E+00 0.636E-01 DAV: 2 -0.499112563455E+03 -0.62608E-02 -0.74496E-02 2176 0.621E-01 0.411E-01 DAV: 3 -0.499113052088E+03 -0.48863E-03 -0.22828E-03 2112 0.155E-01 0.380E-01 DAV: 4 -0.499112900902E+03 0.15119E-03 -0.22318E-03 2112 0.167E-01 0.284E-01 DAV: 5 -0.499112585665E+03 0.31524E-03 -0.57525E-03 2176 0.107E-01 0.314E-01 DAV: 6 -0.499111954681E+03 0.63098E-03 -0.58208E-03 2272 0.583E-02 0.130E-01 DAV: 7 -0.499111694216E+03 0.26047E-03 -0.34936E-04 2080 0.462E-02 0.229E-02 DAV: 8 -0.499111694925E+03 -0.70878E-06 -0.67569E-05 2272 0.196E-02 106 F= -.50425787E+03 E0= -.50424731E+03 d E =-.162364E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.499107335102E+03 0.43591E-02 -0.96154E+00 1792 0.729E+00 0.104E+00 DAV: 2 -0.499124076805E+03 -0.16742E-01 -0.20014E-01 2176 0.102E+00 0.670E-01 DAV: 3 -0.499124755792E+03 -0.67899E-03 -0.59469E-03 2176 0.240E-01 0.582E-01 DAV: 4 -0.499125224306E+03 -0.46851E-03 -0.70299E-03 2240 0.275E-01 0.442E-01 DAV: 5 -0.499129114469E+03 -0.38902E-02 -0.33762E-02 2336 0.196E-01 0.745E-01 DAV: 6 -0.499123480891E+03 0.56336E-02 -0.11761E-02 2336 0.121E-01 0.232E-01 DAV: 7 -0.499121962922E+03 0.15180E-02 -0.20828E-03 2208 0.930E-02 0.836E-02 DAV: 8 -0.499121914512E+03 0.48410E-04 -0.32724E-04 2336 0.628E-02 0.861E-02 DAV: 9 -0.499121821486E+03 0.93026E-04 -0.11772E-04 2048 0.327E-02 0.194E-02 DAV: 10 -0.499121825446E+03 -0.39603E-05 -0.16383E-05 1760 0.913E-03 107 F= -.50426806E+03 E0= -.50425746E+03 d E =-.264204E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.499129745269E+03 -0.79238E-02 -0.46935E+00 1792 0.493E+00 0.686E-01 DAV: 2 -0.499138872094E+03 -0.91268E-02 -0.96629E-02 2176 0.690E-01 0.384E-01 DAV: 3 -0.499141560732E+03 -0.26886E-02 -0.83707E-03 2144 0.270E-01 0.590E-01 DAV: 4 -0.499137490815E+03 0.40699E-02 -0.29919E-03 2176 0.212E-01 0.201E-01 DAV: 5 -0.499136879568E+03 0.61125E-03 -0.11921E-03 2048 0.995E-02 0.409E-02 DAV: 6 -0.499136931345E+03 -0.51777E-04 -0.52875E-04 2176 0.375E-02 0.661E-02 DAV: 7 -0.499136921171E+03 0.10174E-04 -0.85065E-04 1984 0.171E-02 0.521E-02 DAV: 8 -0.499136905058E+03 0.16113E-04 -0.15515E-04 1664 0.106E-02 0.130E-02 DAV: 9 -0.499136907761E+03 -0.27033E-05 -0.71522E-06 1504 0.715E-03 108 F= -.50428290E+03 E0= -.50427233E+03 d E =-.148415E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.499137416383E+03 -0.51132E-03 -0.11854E+00 1792 0.248E+00 0.342E-01 DAV: 2 -0.499139625847E+03 -0.22095E-02 -0.24336E-02 2112 0.343E-01 0.188E-01 DAV: 3 -0.499140697902E+03 -0.10721E-02 -0.16323E-03 2080 0.134E-01 0.332E-01 DAV: 4 -0.499139308810E+03 0.13891E-02 -0.87291E-04 2144 0.107E-01 0.928E-02 DAV: 5 -0.499139309466E+03 -0.65604E-06 -0.10547E-03 2048 0.513E-02 0.112E-01 DAV: 6 -0.499139247657E+03 0.61808E-04 -0.19276E-03 2304 0.278E-02 0.588E-02 DAV: 7 -0.499139224401E+03 0.23257E-04 -0.19493E-04 1984 0.133E-02 0.967E-03 DAV: 8 -0.499139224392E+03 0.87966E-08 -0.63661E-06 1504 0.677E-03 109 F= -.50428506E+03 E0= -.50427451E+03 d E =-.170091E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.499149071026E+03 -0.98466E-02 -0.35497E+00 1792 0.441E+00 0.768E-01 DAV: 2 -0.499157102432E+03 -0.80314E-02 -0.75736E-02 2304 0.627E-01 0.600E-01 DAV: 3 -0.499159444350E+03 -0.23419E-02 -0.73239E-03 2400 0.307E-01 0.474E-01 DAV: 4 -0.499154988147E+03 0.44562E-02 -0.66905E-03 2240 0.192E-01 0.228E-01 DAV: 5 -0.499158897096E+03 -0.39089E-02 -0.20916E-02 2528 0.195E-01 0.507E-01 DAV: 6 -0.499155850144E+03 0.30470E-02 -0.91796E-03 2240 0.105E-01 0.294E-01 DAV: 7 -0.499154828158E+03 0.10220E-02 -0.79775E-04 2240 0.104E-01 0.736E-02 DAV: 8 -0.499154739547E+03 0.88611E-04 -0.26302E-04 2112 0.354E-02 0.282E-02 DAV: 9 -0.499154747183E+03 -0.76356E-05 -0.46422E-05 1920 0.112E-02 110 F= -.50430029E+03 E0= -.50428969E+03 d E =-.152297E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.499153737504E+03 0.10020E-02 -0.44934E+00 1792 0.497E+00 0.866E-01 DAV: 2 -0.499164059414E+03 -0.10322E-01 -0.96237E-02 2272 0.707E-01 0.686E-01 DAV: 3 -0.499166776830E+03 -0.27174E-02 -0.10545E-02 2432 0.350E-01 0.538E-01 DAV: 4 -0.499163446592E+03 0.33302E-02 -0.22870E-02 2240 0.220E-01 0.573E-01 DAV: 5 -0.499163625835E+03 -0.17924E-03 -0.73416E-02 2400 0.164E-01 0.568E-01 DAV: 6 -0.499164393708E+03 -0.76787E-03 -0.47114E-03 2176 0.170E-01 0.496E-01 DAV: 7 -0.499161075274E+03 0.33184E-02 -0.13488E-03 2144 0.157E-01 0.102E-01 DAV: 8 -0.499160951958E+03 0.12332E-03 -0.46775E-04 2048 0.382E-02 0.521E-02 DAV: 9 -0.499160921289E+03 0.30668E-04 -0.23576E-05 2144 0.131E-02 0.305E-02 DAV: 10 -0.499160905983E+03 0.15307E-04 -0.17352E-05 1568 0.124E-02 0.596E-03 DAV: 11 -0.499160907586E+03 -0.16026E-05 -0.64922E-06 1536 0.565E-03 111 F= -.50430607E+03 E0= -.50429556E+03 d E =-.210038E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.499167513066E+03 -0.66071E-02 -0.37372E+00 1792 0.451E+00 0.508E-01 DAV: 2 -0.499174619678E+03 -0.71066E-02 -0.73220E-02 2176 0.605E-01 0.307E-01 DAV: 3 -0.499176870475E+03 -0.22508E-02 -0.38220E-03 2208 0.209E-01 0.513E-01 DAV: 4 -0.499173638845E+03 0.32316E-02 -0.18285E-03 2304 0.160E-01 0.147E-01 DAV: 5 -0.499173514176E+03 0.12467E-03 -0.92930E-04 2112 0.834E-02 0.463E-02 DAV: 6 -0.499173610371E+03 -0.96194E-04 -0.11397E-03 2176 0.384E-02 0.116E-01 DAV: 7 -0.499173517930E+03 0.92441E-04 -0.13150E-03 2016 0.212E-02 0.318E-02 DAV: 8 -0.499173512209E+03 0.57212E-05 -0.55183E-05 1472 0.831E-03 112 F= -.50431923E+03 E0= -.50430879E+03 d E =-.131645E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.499172675987E+03 0.84194E-03 -0.28542E+00 1792 0.394E+00 0.444E-01 DAV: 2 -0.499178079930E+03 -0.54039E-02 -0.56015E-02 2176 0.529E-01 0.267E-01 DAV: 3 -0.499179972735E+03 -0.18928E-02 -0.27381E-03 2208 0.183E-01 0.459E-01 DAV: 4 -0.499177354224E+03 0.26185E-02 -0.13424E-03 2304 0.141E-01 0.127E-01 DAV: 5 -0.499177273981E+03 0.80244E-04 -0.71922E-04 2144 0.723E-02 0.369E-02 DAV: 6 -0.499177280425E+03 -0.64444E-05 -0.17745E-04 2176 0.283E-02 0.317E-02 DAV: 7 -0.499177305439E+03 -0.25014E-04 -0.57892E-04 1920 0.150E-02 0.644E-02 DAV: 8 -0.499177275582E+03 0.29857E-04 -0.25626E-04 1536 0.100E-02 0.873E-03 DAV: 9 -0.499177276914E+03 -0.13324E-05 -0.48992E-06 1408 0.553E-03 113 F= -.50432347E+03 E0= -.50431306E+03 d E =-.174051E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.499184126656E+03 -0.68511E-02 -0.42580E+00 1792 0.481E+00 0.692E-01 DAV: 2 -0.499192054599E+03 -0.79279E-02 -0.88739E-02 2176 0.668E-01 0.442E-01 DAV: 3 -0.499194412996E+03 -0.23584E-02 -0.37381E-03 2144 0.209E-01 0.538E-01 DAV: 4 -0.499192023481E+03 0.23895E-02 -0.27197E-03 2272 0.198E-01 0.262E-01 DAV: 5 -0.499191249751E+03 0.77373E-03 -0.11273E-03 2112 0.954E-02 0.828E-02 DAV: 6 -0.499191237398E+03 0.12352E-04 -0.81699E-04 2176 0.491E-02 0.858E-02 DAV: 7 -0.499191198248E+03 0.39150E-04 -0.88106E-04 2272 0.215E-02 0.413E-02 DAV: 8 -0.499191188076E+03 0.10172E-04 -0.72880E-05 1696 0.102E-02 0.201E-02 DAV: 9 -0.499191185853E+03 0.22230E-05 -0.12627E-05 1600 0.924E-03 114 F= -.50433870E+03 E0= -.50432829E+03 d E =-.152307E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.499186377432E+03 0.48106E-02 -0.56855E+00 1792 0.555E+00 0.795E-01 DAV: 2 -0.499196828123E+03 -0.10451E-01 -0.11831E-01 2240 0.771E-01 0.501E-01 DAV: 3 -0.499199158158E+03 -0.23300E-02 -0.43179E-03 2048 0.222E-01 0.560E-01 DAV: 4 -0.499197164169E+03 0.19940E-02 -0.33845E-03 2208 0.222E-01 0.308E-01 DAV: 5 -0.499196030521E+03 0.11336E-02 -0.16192E-03 1952 0.108E-01 0.129E-01 DAV: 6 -0.499196094873E+03 -0.64351E-04 -0.28802E-03 2176 0.665E-02 0.200E-01 DAV: 7 -0.499195808192E+03 0.28668E-03 -0.23477E-03 2272 0.383E-02 0.396E-02 DAV: 8 -0.499195802282E+03 0.59106E-05 -0.49396E-05 2208 0.143E-02 115 F= -.50434488E+03 E0= -.50433454E+03 d E =-.214047E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.499198418708E+03 -0.26105E-02 -0.49156E+00 1792 0.514E+00 0.753E-01 DAV: 2 -0.499211692541E+03 -0.13274E-01 -0.11114E-01 2304 0.775E-01 0.573E-01 DAV: 3 -0.499208088346E+03 0.36042E-02 -0.18437E-02 1952 0.300E-01 0.415E-01 DAV: 4 -0.499208240656E+03 -0.15231E-03 -0.24543E-03 1952 0.203E-01 0.290E-01 DAV: 5 -0.499206763786E+03 0.14769E-02 -0.44255E-03 2016 0.150E-01 0.182E-01 DAV: 6 -0.499206814214E+03 -0.50428E-04 -0.90873E-03 2272 0.673E-02 0.189E-01 DAV: 7 -0.499206522274E+03 0.29194E-03 -0.17465E-03 2272 0.404E-02 0.217E-02 DAV: 8 -0.499206524237E+03 -0.19623E-05 -0.45508E-05 2144 0.147E-02 116 F= -.50435625E+03 E0= -.50434591E+03 d E =-.113751E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.499205010079E+03 0.15122E-02 -0.18760E+00 1792 0.317E+00 0.460E-01 DAV: 2 -0.499210118596E+03 -0.51085E-02 -0.42048E-02 2208 0.472E-01 0.381E-01 DAV: 3 -0.499209729017E+03 0.38958E-03 -0.46907E-03 1984 0.201E-01 0.370E-01 DAV: 4 -0.499208513665E+03 0.12154E-02 -0.12073E-03 1888 0.139E-01 0.173E-01 DAV: 5 -0.499208538512E+03 -0.24847E-04 -0.38458E-03 2016 0.893E-02 0.224E-01 DAV: 6 -0.499208191763E+03 0.34675E-03 -0.48886E-03 2304 0.471E-02 0.781E-02 DAV: 7 -0.499208135841E+03 0.55923E-04 -0.20733E-04 2112 0.223E-02 0.142E-02 DAV: 8 -0.499208136568E+03 -0.72759E-06 -0.14415E-05 1728 0.897E-03 117 F= -.50435829E+03 E0= -.50434793E+03 d E =-.134149E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.499212854079E+03 -0.47182E-02 -0.37955E+00 1792 0.453E+00 0.570E-01 DAV: 2 -0.499219784661E+03 -0.69306E-02 -0.78738E-02 2208 0.629E-01 0.385E-01 DAV: 3 -0.499219947492E+03 -0.16283E-03 -0.17832E-03 2144 0.133E-01 0.304E-01 DAV: 4 -0.499221201454E+03 -0.12540E-02 -0.20949E-03 2144 0.166E-01 0.342E-01 DAV: 5 -0.499220090968E+03 0.11105E-02 -0.61243E-03 2048 0.116E-01 0.295E-01 DAV: 6 -0.499219529961E+03 0.56101E-03 -0.51644E-03 2208 0.574E-02 0.127E-01 DAV: 7 -0.499219339491E+03 0.19047E-03 -0.33965E-04 1920 0.535E-02 0.513E-02 DAV: 8 -0.499219314489E+03 0.25001E-04 -0.71504E-05 1952 0.222E-02 0.146E-02 DAV: 9 -0.499219316165E+03 -0.16756E-05 -0.80706E-06 1408 0.858E-03 118 F= -.50437020E+03 E0= -.50435993E+03 d E =-.119084E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.499215343769E+03 0.39707E-02 -0.53133E+00 1792 0.536E+00 0.677E-01 DAV: 2 -0.499225048771E+03 -0.97050E-02 -0.11031E-01 2208 0.746E-01 0.459E-01 DAV: 3 -0.499225506930E+03 -0.45816E-03 -0.27695E-03 2176 0.164E-01 0.387E-01 DAV: 4 -0.499226626383E+03 -0.11195E-02 -0.32588E-03 2176 0.195E-01 0.390E-01 DAV: 5 -0.499226351382E+03 0.27500E-03 -0.13928E-02 2048 0.138E-01 0.472E-01 DAV: 6 -0.499224678727E+03 0.16727E-02 -0.78185E-03 2336 0.766E-02 0.144E-01 DAV: 7 -0.499224374370E+03 0.30436E-03 -0.35140E-04 1952 0.664E-02 0.568E-02 DAV: 8 -0.499224347067E+03 0.27302E-04 -0.10564E-04 2176 0.257E-02 0.155E-02 DAV: 9 -0.499224348151E+03 -0.10835E-05 -0.90742E-06 1536 0.822E-03 119 F= -.50437616E+03 E0= -.50436592E+03 d E =-.178682E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.499226350621E+03 -0.20036E-02 -0.50969E+00 1792 0.531E+00 0.808E-01 DAV: 2 -0.499237268759E+03 -0.10918E-01 -0.10753E-01 2176 0.741E-01 0.449E-01 DAV: 3 -0.499244025849E+03 -0.67571E-02 -0.10145E-02 2080 0.331E-01 0.768E-01 DAV: 4 -0.499235040767E+03 0.89851E-02 -0.41883E-03 2304 0.249E-01 0.192E-01 DAV: 5 -0.499235364672E+03 -0.32390E-03 -0.57314E-03 2112 0.115E-01 0.233E-01 DAV: 6 -0.499235039179E+03 0.32549E-03 -0.84993E-03 2400 0.616E-02 0.128E-01 DAV: 7 -0.499234890358E+03 0.14882E-03 -0.99888E-04 2240 0.372E-02 0.289E-02 DAV: 8 -0.499234889850E+03 0.50760E-06 -0.49603E-05 2208 0.154E-02 120 F= -.50438873E+03 E0= -.50437853E+03 d E =-.125662E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.499232909896E+03 0.19805E-02 -0.15310E+00 1792 0.292E+00 0.440E-01 DAV: 2 -0.499236172360E+03 -0.32625E-02 -0.32340E-02 2272 0.405E-01 0.252E-01 DAV: 3 -0.499238944955E+03 -0.27726E-02 -0.30845E-03 2080 0.186E-01 0.501E-01 DAV: 4 -0.499235508103E+03 0.34369E-02 -0.13723E-03 2112 0.145E-01 0.101E-01 DAV: 5 -0.499235496258E+03 0.11845E-04 -0.58055E-04 2016 0.578E-02 0.460E-02 DAV: 6 -0.499235581878E+03 -0.85620E-04 -0.13124E-03 2272 0.302E-02 0.111E-01 DAV: 7 -0.499235486207E+03 0.95671E-04 -0.10564E-03 2016 0.204E-02 0.212E-02 DAV: 8 -0.499235484790E+03 0.14170E-05 -0.27603E-05 1696 0.770E-03 121 F= -.50439048E+03 E0= -.50438033E+03 d E =-.143166E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.499237385554E+03 -0.18993E-02 -0.35455E+00 1792 0.438E+00 0.482E-01 DAV: 2 -0.499243713952E+03 -0.63284E-02 -0.69186E-02 2112 0.585E-01 0.265E-01 DAV: 3 -0.499244099796E+03 -0.38584E-03 -0.14217E-03 2048 0.130E-01 0.285E-01 DAV: 4 -0.499243784698E+03 0.31510E-03 -0.10404E-03 2080 0.118E-01 0.209E-01 DAV: 5 -0.499243311708E+03 0.47299E-03 -0.10244E-03 1984 0.826E-02 0.711E-02 DAV: 6 -0.499243410475E+03 -0.98767E-04 -0.25163E-03 2272 0.408E-02 0.127E-01 DAV: 7 -0.499243287654E+03 0.12282E-03 -0.91488E-04 2272 0.282E-02 0.233E-02 DAV: 8 -0.499243286495E+03 0.11590E-05 -0.21366E-05 1984 0.105E-02 122 F= -.50440055E+03 E0= -.50439050E+03 d E =-.100700E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.499222126536E+03 0.21161E-01 -0.14713E+01 1792 0.892E+00 0.980E-01 DAV: 2 -0.499248331638E+03 -0.26205E-01 -0.28652E-01 2112 0.119E+00 0.541E-01 DAV: 3 -0.499249391811E+03 -0.10602E-02 -0.59689E-03 2112 0.256E-01 0.537E-01 DAV: 4 -0.499248897203E+03 0.49461E-03 -0.44759E-03 2176 0.239E-01 0.411E-01 DAV: 5 -0.499246796381E+03 0.21008E-02 -0.39784E-03 2080 0.163E-01 0.164E-01 DAV: 6 -0.499247115479E+03 -0.31910E-03 -0.91985E-03 2208 0.845E-02 0.262E-01 DAV: 7 -0.499246609405E+03 0.50607E-03 -0.31039E-03 2336 0.615E-02 0.786E-02 DAV: 8 -0.499246550914E+03 0.58490E-04 -0.12683E-04 2016 0.280E-02 0.230E-02 DAV: 9 -0.499246557857E+03 -0.69427E-05 -0.20403E-05 2144 0.117E-02 123 F= -.50440867E+03 E0= -.50439887E+03 d E =-.181960E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.499246526833E+03 0.24081E-04 -0.68007E+00 1792 0.598E+00 0.631E-01 DAV: 2 -0.499261750222E+03 -0.15223E-01 -0.13919E-01 2144 0.848E-01 0.566E-01 DAV: 3 -0.499260768930E+03 0.98129E-03 -0.93590E-03 1952 0.291E-01 0.539E-01 DAV: 4 -0.499257853833E+03 0.29151E-02 -0.19819E-03 1952 0.180E-01 0.254E-01 DAV: 5 -0.499257762702E+03 0.91131E-04 -0.19138E-03 1952 0.141E-01 0.169E-01 DAV: 6 -0.499257435375E+03 0.32733E-03 -0.78723E-04 1952 0.669E-02 0.720E-02 DAV: 7 -0.499257426854E+03 0.85207E-05 -0.11824E-03 2144 0.248E-02 0.606E-02 DAV: 8 -0.499257397134E+03 0.29720E-04 -0.22625E-04 2080 0.164E-02 0.161E-02 DAV: 9 -0.499257397620E+03 -0.48592E-06 -0.12195E-05 1344 0.984E-03 124 F= -.50442195E+03 E0= -.50441207E+03 d E =-.132770E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.499242819498E+03 0.14578E-01 -0.10366E+01 1792 0.739E+00 0.779E-01 DAV: 2 -0.499265574618E+03 -0.22755E-01 -0.21186E-01 2176 0.105E+00 0.671E-01 DAV: 3 -0.499264042788E+03 0.15318E-02 -0.18267E-02 1984 0.349E-01 0.631E-01 DAV: 4 -0.499260135838E+03 0.39069E-02 -0.30049E-03 1984 0.221E-01 0.318E-01 DAV: 5 -0.499260026762E+03 0.10908E-03 -0.28283E-03 1952 0.177E-01 0.227E-01 DAV: 6 -0.499259362249E+03 0.66451E-03 -0.82305E-04 1920 0.855E-02 0.525E-02 DAV: 7 -0.499259426970E+03 -0.64721E-04 -0.13536E-03 2176 0.319E-02 0.996E-02 DAV: 8 -0.499259346566E+03 0.80405E-04 -0.67704E-04 2208 0.216E-02 0.230E-02 DAV: 9 -0.499259344162E+03 0.24034E-05 -0.18138E-05 1536 0.119E-02 125 F= -.50442703E+03 E0= -.50441726E+03 d E =-.183602E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.499259666448E+03 -0.31988E-03 -0.52965E+00 1792 0.529E+00 0.706E-01 DAV: 2 -0.499273140687E+03 -0.13474E-01 -0.11299E-01 2080 0.774E-01 0.596E-01 DAV: 3 -0.499273209273E+03 -0.68586E-04 -0.11432E-02 2048 0.328E-01 0.584E-01 DAV: 4 -0.499268735688E+03 0.44736E-02 -0.27890E-03 1952 0.215E-01 0.244E-01 DAV: 5 -0.499268475020E+03 0.26067E-03 -0.16039E-03 1984 0.121E-01 0.137E-01 DAV: 6 -0.499268444282E+03 0.30738E-04 -0.27920E-03 2144 0.626E-02 0.154E-01 DAV: 7 -0.499268255161E+03 0.18912E-03 -0.20863E-03 2368 0.328E-02 0.422E-02 DAV: 8 -0.499268243167E+03 0.11994E-04 -0.80356E-05 2144 0.149E-02 0.155E-02 DAV: 9 -0.499268243558E+03 -0.39179E-06 -0.78638E-06 1408 0.823E-03 126 F= -.50443756E+03 E0= -.50442793E+03 d E =-.105294E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.499266377619E+03 0.18655E-02 -0.16752E+00 1792 0.298E+00 0.394E-01 DAV: 2 -0.499270803657E+03 -0.44260E-02 -0.35820E-02 2080 0.435E-01 0.379E-01 DAV: 3 -0.499271043626E+03 -0.23997E-03 -0.28444E-03 2048 0.190E-01 0.379E-01 DAV: 4 -0.499269158845E+03 0.18848E-02 -0.86129E-04 1888 0.120E-01 0.121E-01 DAV: 5 -0.499269111483E+03 0.47362E-04 -0.51262E-04 1952 0.609E-02 0.434E-02 DAV: 6 -0.499269103345E+03 0.81383E-05 -0.15954E-04 2208 0.256E-02 0.328E-02 DAV: 7 -0.499269109588E+03 -0.62434E-05 -0.36828E-04 1888 0.130E-02 0.404E-02 DAV: 8 -0.499269096981E+03 0.12607E-04 -0.11446E-04 1600 0.873E-03 0.680E-03 DAV: 9 -0.499269097812E+03 -0.83017E-06 -0.32156E-06 1504 0.451E-03 127 F= -.50443935E+03 E0= -.50442979E+03 d E =-.123159E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.499272871090E+03 -0.37741E-02 -0.13611E+00 1792 0.274E+00 0.475E-01 DAV: 2 -0.499275744900E+03 -0.28738E-02 -0.29478E-02 2176 0.390E-01 0.303E-01 DAV: 3 -0.499278669397E+03 -0.29245E-02 -0.28356E-03 2208 0.196E-01 0.456E-01 DAV: 4 -0.499275044487E+03 0.36249E-02 -0.21236E-03 2112 0.151E-01 0.103E-01 DAV: 5 -0.499275091569E+03 -0.47083E-04 -0.83516E-04 2304 0.587E-02 0.623E-02 DAV: 6 -0.499275153384E+03 -0.61815E-04 -0.16358E-03 2368 0.313E-02 0.103E-01 DAV: 7 -0.499275061106E+03 0.92278E-04 -0.81844E-04 2080 0.219E-02 0.181E-02 DAV: 8 -0.499275061294E+03 -0.18793E-06 -0.19906E-05 2016 0.807E-03 128 F= -.50444652E+03 E0= -.50443697E+03 d E =-.717339E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499274520114E+03 0.54099E-03 -0.71448E-01 1792 0.198E+00 0.343E-01 DAV: 2 -0.499276090327E+03 -0.15702E-02 -0.15576E-02 2176 0.284E-01 0.228E-01 DAV: 3 -0.499277798787E+03 -0.17085E-02 -0.16318E-03 2176 0.147E-01 0.371E-01 DAV: 4 -0.499275669405E+03 0.21294E-02 -0.11587E-03 2080 0.112E-01 0.792E-02 DAV: 5 -0.499275917694E+03 -0.24829E-03 -0.25378E-03 2304 0.546E-02 0.164E-01 DAV: 6 -0.499275682512E+03 0.23518E-03 -0.22259E-03 2336 0.327E-02 0.354E-02 DAV: 7 -0.499275675012E+03 0.75000E-05 -0.72744E-05 2080 0.154E-02 129 F= -.50444802E+03 E0= -.50443850E+03 d E =-.866753E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499278464046E+03 -0.27815E-02 -0.11704E+00 1792 0.253E+00 0.363E-01 DAV: 2 -0.499281625990E+03 -0.31619E-02 -0.24190E-02 2080 0.359E-01 0.312E-01 DAV: 3 -0.499282617001E+03 -0.99101E-03 -0.26322E-03 2080 0.180E-01 0.404E-01 DAV: 4 -0.499280316261E+03 0.23007E-02 -0.84803E-04 2144 0.114E-01 0.736E-02 DAV: 5 -0.499280340072E+03 -0.23811E-04 -0.50524E-04 2176 0.508E-02 0.432E-02 DAV: 6 -0.499280376484E+03 -0.36412E-04 -0.86065E-04 2304 0.250E-02 0.760E-02 DAV: 7 -0.499280326909E+03 0.49575E-04 -0.48959E-04 1760 0.166E-02 0.162E-02 DAV: 8 -0.499280326960E+03 -0.50721E-07 -0.15835E-05 1472 0.760E-03 130 F= -.50445399E+03 E0= -.50444451E+03 d E =-.596854E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499276415534E+03 0.39114E-02 -0.37200E+00 1792 0.452E+00 0.648E-01 DAV: 2 -0.499285982478E+03 -0.95669E-02 -0.76505E-02 2240 0.638E-01 0.500E-01 DAV: 3 -0.499288719131E+03 -0.27367E-02 -0.83771E-03 2144 0.314E-01 0.627E-01 DAV: 4 -0.499282219533E+03 0.64996E-02 -0.26618E-03 2176 0.198E-01 0.126E-01 DAV: 5 -0.499282266740E+03 -0.47207E-04 -0.13224E-03 2144 0.872E-02 0.637E-02 DAV: 6 -0.499282279130E+03 -0.12390E-04 -0.63543E-04 2272 0.361E-02 0.742E-02 DAV: 7 -0.499282257815E+03 0.21315E-04 -0.11351E-03 1984 0.213E-02 0.538E-02 DAV: 8 -0.499282242005E+03 0.15811E-04 -0.18642E-04 2080 0.149E-02 0.207E-02 DAV: 9 -0.499282240035E+03 0.19693E-05 -0.92284E-06 1536 0.969E-03 131 F= -.50445826E+03 E0= -.50444881E+03 d E =-.102385E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.499284581978E+03 -0.23400E-02 -0.15440E+00 1792 0.288E+00 0.356E-01 DAV: 2 -0.499287245601E+03 -0.26636E-02 -0.30070E-02 2144 0.387E-01 0.188E-01 DAV: 3 -0.499287817758E+03 -0.57216E-03 -0.10104E-03 2208 0.980E-02 0.251E-01 DAV: 4 -0.499287170191E+03 0.64757E-03 -0.69446E-04 2144 0.946E-02 0.144E-01 DAV: 5 -0.499286978073E+03 0.19212E-03 -0.55497E-04 1952 0.601E-02 0.384E-02 DAV: 6 -0.499287008581E+03 -0.30508E-04 -0.85083E-04 2144 0.275E-02 0.651E-02 DAV: 7 -0.499286971313E+03 0.37268E-04 -0.29152E-04 1856 0.144E-02 0.147E-02 DAV: 8 -0.499286970630E+03 0.68306E-06 -0.12957E-05 1536 0.913E-03 132 F= -.50446480E+03 E0= -.50445549E+03 d E =-.654483E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499271597192E+03 0.15374E-01 -0.94391E+00 1792 0.713E+00 0.875E-01 DAV: 2 -0.499288186539E+03 -0.16589E-01 -0.18502E-01 2144 0.959E-01 0.484E-01 DAV: 3 -0.499292930203E+03 -0.47437E-02 -0.74473E-03 2176 0.274E-01 0.589E-01 DAV: 4 -0.499286784305E+03 0.61459E-02 -0.86118E-03 2176 0.247E-01 0.279E-01 DAV: 5 -0.499286305674E+03 0.47863E-03 -0.27470E-03 2080 0.143E-01 0.678E-02 DAV: 6 -0.499286300049E+03 0.56254E-05 -0.99186E-04 2176 0.571E-02 0.780E-02 DAV: 7 -0.499286270418E+03 0.29631E-04 -0.97473E-04 2272 0.237E-02 0.546E-02 DAV: 8 -0.499286245730E+03 0.24688E-04 -0.22210E-04 2080 0.250E-02 0.188E-02 DAV: 9 -0.499286249364E+03 -0.36339E-05 -0.18525E-05 1568 0.149E-02 133 F= -.50446857E+03 E0= -.50445956E+03 d E =-.103151E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.499287028330E+03 -0.78260E-03 -0.77801E-01 1792 0.204E+00 0.252E-01 DAV: 2 -0.499288404260E+03 -0.13759E-02 -0.15134E-02 2144 0.274E-01 0.140E-01 DAV: 3 -0.499288992513E+03 -0.58825E-03 -0.66624E-04 2208 0.832E-02 0.235E-01 DAV: 4 -0.499288303797E+03 0.68872E-03 -0.40508E-04 2176 0.753E-02 0.856E-02 DAV: 5 -0.499288253575E+03 0.50222E-04 -0.24063E-04 2048 0.417E-02 0.165E-02 DAV: 6 -0.499288261506E+03 -0.79309E-05 -0.13798E-04 2176 0.167E-02 0.297E-02 DAV: 7 -0.499288254920E+03 0.65863E-05 -0.99753E-05 1568 0.729E-03 134 F= -.50446929E+03 E0= -.50446008E+03 d E =-.110310E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.499290147606E+03 -0.18861E-02 -0.14043E+00 1792 0.274E+00 0.367E-01 DAV: 2 -0.499294912336E+03 -0.47647E-02 -0.29533E-02 2048 0.407E-01 0.447E-01 DAV: 3 -0.499293341742E+03 0.15706E-02 -0.26356E-03 2112 0.183E-01 0.320E-01 DAV: 4 -0.499292295181E+03 0.10466E-02 -0.52782E-04 1984 0.869E-02 0.125E-01 DAV: 5 -0.499292303249E+03 -0.80685E-05 -0.51897E-04 2144 0.617E-02 0.519E-02 DAV: 6 -0.499292285196E+03 0.18053E-04 -0.29172E-04 2240 0.278E-02 0.435E-02 DAV: 7 -0.499292272016E+03 0.13179E-04 -0.28077E-04 1696 0.120E-02 0.210E-02 DAV: 8 -0.499292268345E+03 0.36711E-05 -0.27664E-05 1568 0.876E-03 135 F= -.50447494E+03 E0= -.50446584E+03 d E =-.565306E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499288960941E+03 0.33111E-02 -0.24985E+00 1792 0.366E+00 0.491E-01 DAV: 2 -0.499297108207E+03 -0.81473E-02 -0.52842E-02 2144 0.543E-01 0.559E-01 DAV: 3 -0.499294688893E+03 0.24193E-02 -0.46007E-03 2080 0.241E-01 0.417E-01 DAV: 4 -0.499292870579E+03 0.18183E-02 -0.95734E-04 1984 0.118E-01 0.168E-01 DAV: 5 -0.499292907735E+03 -0.37157E-04 -0.88013E-04 2080 0.847E-02 0.839E-02 DAV: 6 -0.499292813039E+03 0.94697E-04 -0.15808E-04 2048 0.373E-02 0.229E-02 DAV: 7 -0.499292814909E+03 -0.18705E-05 -0.83313E-05 2080 0.156E-02 136 F= -.50447768E+03 E0= -.50446870E+03 d E =-.838903E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499294296597E+03 -0.14836E-02 -0.18206E+00 1792 0.311E+00 0.388E-01 DAV: 2 -0.499297512836E+03 -0.32162E-02 -0.35686E-02 2176 0.415E-01 0.202E-01 DAV: 3 -0.499298429779E+03 -0.91694E-03 -0.99120E-03 2272 0.117E-01 0.371E-01 DAV: 4 -0.499297387059E+03 0.10427E-02 -0.14908E-02 2304 0.946E-02 0.146E-01 DAV: 5 -0.499297259549E+03 0.12751E-03 -0.43074E-04 2080 0.514E-02 0.873E-02 DAV: 6 -0.499297238351E+03 0.21198E-04 -0.79344E-04 2080 0.348E-02 0.597E-02 DAV: 7 -0.499297195528E+03 0.42823E-04 -0.48166E-05 2016 0.198E-02 0.143E-02 DAV: 8 -0.499297194031E+03 0.14976E-05 -0.16737E-05 1408 0.716E-03 137 F= -.50448411E+03 E0= -.50447517E+03 d E =-.643586E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499293892162E+03 0.33034E-02 -0.22976E+00 1792 0.350E+00 0.437E-01 DAV: 2 -0.499297889694E+03 -0.39975E-02 -0.44367E-02 2144 0.466E-01 0.219E-01 DAV: 3 -0.499298294811E+03 -0.40512E-03 -0.13357E-03 2048 0.116E-01 0.259E-01 DAV: 4 -0.499297901540E+03 0.39327E-03 -0.16378E-03 1984 0.107E-01 0.183E-01 DAV: 5 -0.499297499192E+03 0.40235E-03 -0.75049E-04 1984 0.624E-02 0.364E-02 DAV: 6 -0.499297594953E+03 -0.95761E-04 -0.12751E-03 2272 0.345E-02 0.999E-02 DAV: 7 -0.499297503325E+03 0.91628E-04 -0.86543E-04 2112 0.222E-02 0.162E-02 DAV: 8 -0.499297502888E+03 0.43765E-06 -0.13463E-05 1792 0.652E-03 138 F= -.50448674E+03 E0= -.50447786E+03 d E =-.906441E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499298507613E+03 -0.10043E-02 -0.19674E+00 1792 0.325E+00 0.440E-01 DAV: 2 -0.499301930025E+03 -0.34224E-02 -0.37656E-02 2144 0.428E-01 0.234E-01 DAV: 3 -0.499302967681E+03 -0.10377E-02 -0.12215E-03 2048 0.126E-01 0.316E-01 DAV: 4 -0.499301884876E+03 0.10828E-02 -0.10479E-03 2112 0.117E-01 0.166E-01 DAV: 5 -0.499301628033E+03 0.25684E-03 -0.43144E-04 1888 0.615E-02 0.382E-02 DAV: 6 -0.499301684796E+03 -0.56763E-04 -0.10244E-03 2272 0.299E-02 0.795E-02 DAV: 7 -0.499301628358E+03 0.56438E-04 -0.53783E-04 1856 0.183E-02 0.141E-02 DAV: 8 -0.499301628170E+03 0.18844E-06 -0.10620E-05 1472 0.651E-03 139 F= -.50449342E+03 E0= -.50448460E+03 d E =-.668377E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499299159750E+03 0.24686E-02 -0.17617E+00 1792 0.307E+00 0.417E-01 DAV: 2 -0.499302212206E+03 -0.30525E-02 -0.33744E-02 2144 0.405E-01 0.218E-01 DAV: 3 -0.499302824766E+03 -0.61256E-03 -0.94549E-04 2208 0.108E-01 0.262E-01 DAV: 4 -0.499302304672E+03 0.52009E-03 -0.89911E-04 2176 0.106E-01 0.181E-01 DAV: 5 -0.499301948797E+03 0.35587E-03 -0.32844E-04 1984 0.609E-02 0.254E-02 DAV: 6 -0.499301972447E+03 -0.23650E-04 -0.26651E-04 2176 0.250E-02 0.423E-02 DAV: 7 -0.499301959326E+03 0.13121E-04 -0.27588E-04 1728 0.118E-02 0.191E-02 DAV: 8 -0.499301956219E+03 0.31069E-05 -0.23456E-05 1472 0.561E-03 140 F= -.50449619E+03 E0= -.50448741E+03 d E =-.944860E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499302944616E+03 -0.98529E-03 -0.11762E+00 1792 0.252E+00 0.456E-01 DAV: 2 -0.499306475886E+03 -0.35313E-02 -0.26261E-02 2112 0.373E-01 0.345E-01 DAV: 3 -0.499309138604E+03 -0.26627E-02 -0.39308E-03 2208 0.227E-01 0.496E-01 DAV: 4 -0.499304906052E+03 0.42326E-02 -0.14404E-03 2240 0.137E-01 0.915E-02 DAV: 5 -0.499304913308E+03 -0.72563E-05 -0.69438E-04 2304 0.622E-02 0.626E-02 DAV: 6 -0.499304879235E+03 0.34073E-04 -0.12636E-04 2208 0.239E-02 0.296E-02 DAV: 7 -0.499304879202E+03 0.33619E-07 -0.13660E-04 1728 0.917E-03 0.269E-02 DAV: 8 -0.499304875173E+03 0.40292E-05 -0.54838E-05 1440 0.738E-03 141 F= -.50450078E+03 E0= -.50449209E+03 d E =-.458812E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499304264975E+03 0.61423E-03 -0.25786E-01 1792 0.118E+00 0.216E-01 DAV: 2 -0.499305192858E+03 -0.92788E-03 -0.58246E-03 2208 0.179E-01 0.197E-01 DAV: 3 -0.499305554313E+03 -0.36146E-03 -0.90122E-04 2144 0.109E-01 0.245E-01 DAV: 4 -0.499304676954E+03 0.87736E-03 -0.29320E-04 2272 0.629E-02 0.360E-02 DAV: 5 -0.499304680242E+03 -0.32880E-05 -0.15769E-04 2272 0.262E-02 0.210E-02 DAV: 6 -0.499304682024E+03 -0.17820E-05 -0.13572E-04 1632 0.109E-02 0.232E-02 DAV: 7 -0.499304677517E+03 0.45073E-05 -0.46373E-05 1472 0.601E-03 142 F= -.50450137E+03 E0= -.50449274E+03 d E =-.517595E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499305375834E+03 -0.69381E-03 -0.12100E+00 1792 0.253E+00 0.395E-01 DAV: 2 -0.499307506610E+03 -0.21308E-02 -0.24162E-02 2144 0.344E-01 0.198E-01 DAV: 3 -0.499307328321E+03 0.17829E-03 -0.46562E-04 2272 0.630E-02 0.969E-02 DAV: 4 -0.499307472012E+03 -0.14369E-03 -0.88004E-04 2112 0.574E-02 0.111E-01 DAV: 5 -0.499307315659E+03 0.15635E-03 -0.48633E-04 2144 0.355E-02 0.255E-02 DAV: 6 -0.499307318321E+03 -0.26621E-05 -0.41783E-05 1984 0.140E-02 143 F= -.50450533E+03 E0= -.50449685E+03 d E =-.396523E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499306238266E+03 0.10774E-02 -0.75929E-01 1792 0.201E+00 0.317E-01 DAV: 2 -0.499307666124E+03 -0.14279E-02 -0.15932E-02 2144 0.275E-01 0.177E-01 DAV: 3 -0.499308717995E+03 -0.10519E-02 -0.92372E-03 2336 0.978E-02 0.363E-01 DAV: 4 -0.499307588143E+03 0.11299E-02 -0.10795E-02 2368 0.876E-02 0.114E-01 DAV: 5 -0.499307667831E+03 -0.79688E-04 -0.27252E-04 1920 0.490E-02 0.134E-01 DAV: 6 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DAV: 2 -0.499313593789E+03 -0.55254E-02 -0.61114E-02 2144 0.556E-01 0.253E-01 DAV: 3 -0.499313990281E+03 -0.39649E-03 -0.15531E-03 2016 0.126E-01 0.272E-01 DAV: 4 -0.499313833816E+03 0.15646E-03 -0.14482E-03 2016 0.123E-01 0.232E-01 DAV: 5 -0.499313154734E+03 0.67908E-03 -0.49733E-04 1952 0.720E-02 0.368E-02 DAV: 6 -0.499313209065E+03 -0.54331E-04 -0.64350E-04 2144 0.337E-02 0.633E-02 DAV: 7 -0.499313171100E+03 0.37965E-04 -0.42316E-04 2240 0.156E-02 0.167E-02 DAV: 8 -0.499313170034E+03 0.10657E-05 -0.14855E-05 1568 0.592E-03 146 F= -.50451426E+03 E0= -.50450583E+03 d E =-.770956E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499314550803E+03 -0.13797E-02 -0.12829E+00 1792 0.264E+00 0.311E-01 DAV: 2 -0.499317278019E+03 -0.27272E-02 -0.24920E-02 2112 0.359E-01 0.265E-01 DAV: 3 -0.499318160472E+03 -0.88245E-03 -0.15687E-03 2048 0.141E-01 0.324E-01 DAV: 4 -0.499316580081E+03 0.15804E-02 -0.68539E-04 2176 0.101E-01 0.858E-02 DAV: 5 -0.499316600988E+03 -0.20906E-04 -0.67970E-04 2048 0.521E-02 0.523E-02 DAV: 6 -0.499316593994E+03 0.69942E-05 -0.78141E-04 2272 0.248E-02 0.415E-02 DAV: 7 -0.499316576685E+03 0.17309E-04 -0.12570E-04 1632 0.120E-02 0.105E-02 DAV: 8 -0.499316576977E+03 -0.29270E-06 -0.75132E-06 1536 0.680E-03 147 F= -.50451803E+03 E0= -.50450959E+03 d E =-.377032E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499313289746E+03 0.32869E-02 -0.31962E+00 1792 0.416E+00 0.493E-01 DAV: 2 -0.499319958420E+03 -0.66687E-02 -0.61694E-02 2048 0.565E-01 0.409E-01 DAV: 3 -0.499322040643E+03 -0.20822E-02 -0.38407E-03 2112 0.221E-01 0.473E-01 DAV: 4 -0.499318267287E+03 0.37734E-02 -0.16904E-03 2240 0.157E-01 0.130E-01 DAV: 5 -0.499318285265E+03 -0.17978E-04 -0.11872E-03 2112 0.791E-02 0.485E-02 DAV: 6 -0.499318331823E+03 -0.46558E-04 -0.10996E-03 2272 0.355E-02 0.801E-02 DAV: 7 -0.499318268473E+03 0.63350E-04 -0.51989E-04 2144 0.187E-02 0.171E-02 DAV: 8 -0.499318267779E+03 0.69334E-06 -0.15766E-05 1792 0.889E-03 148 F= -.50452031E+03 E0= -.50451183E+03 d E =-.604870E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499319526097E+03 -0.12576E-02 -0.16826E+00 1792 0.303E+00 0.325E-01 DAV: 2 -0.499322922129E+03 -0.33960E-02 -0.32871E-02 2176 0.410E-01 0.257E-01 DAV: 3 -0.499324102204E+03 -0.11801E-02 -0.16871E-03 2112 0.148E-01 0.349E-01 DAV: 4 -0.499322231846E+03 0.18704E-02 -0.79993E-04 2240 0.107E-01 0.852E-02 DAV: 5 -0.499322230497E+03 0.13494E-05 -0.58575E-04 2176 0.547E-02 0.364E-02 DAV: 6 -0.499322253940E+03 -0.23443E-04 -0.70757E-04 2336 0.258E-02 0.558E-02 DAV: 7 -0.499322223504E+03 0.30436E-04 -0.25283E-04 1760 0.141E-02 0.108E-02 DAV: 8 -0.499322223614E+03 -0.11093E-06 -0.64828E-06 1504 0.600E-03 149 F= -.50452466E+03 E0= -.50451619E+03 d E =-.435276E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499319292123E+03 0.29314E-02 -0.27553E+00 1792 0.387E+00 0.416E-01 DAV: 2 -0.499324722213E+03 -0.54301E-02 -0.53624E-02 2176 0.523E-01 0.315E-01 DAV: 3 -0.499326710630E+03 -0.19884E-02 -0.26764E-03 2176 0.186E-01 0.430E-01 DAV: 4 -0.499323704656E+03 0.30060E-02 -0.13212E-03 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-0.19075E-05 1824 0.919E-03 151 F= -.50453114E+03 E0= -.50452272E+03 d E =-.449635E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499326526580E+03 0.13970E-02 -0.14018E+00 1792 0.278E+00 0.284E-01 DAV: 2 -0.499329207259E+03 -0.26807E-02 -0.26428E-02 2176 0.370E-01 0.222E-01 DAV: 3 -0.499330080066E+03 -0.87281E-03 -0.12282E-03 2400 0.120E-01 0.318E-01 DAV: 4 -0.499328790496E+03 0.12896E-02 -0.68551E-04 2240 0.969E-02 0.104E-01 DAV: 5 -0.499328753840E+03 0.36655E-04 -0.58841E-04 2208 0.569E-02 0.338E-02 DAV: 6 -0.499328776484E+03 -0.22644E-04 -0.67431E-04 2272 0.266E-02 0.560E-02 DAV: 7 -0.499328745343E+03 0.31141E-04 -0.29390E-04 1760 0.139E-02 0.148E-02 DAV: 8 -0.499328744427E+03 0.91600E-06 -0.12048E-05 1504 0.770E-03 152 F= -.50453217E+03 E0= -.50452377E+03 d E =-.552734E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499328465378E+03 0.27996E-03 -0.25709E+00 1792 0.377E+00 0.508E-01 DAV: 2 -0.499333806432E+03 -0.53411E-02 -0.50954E-02 2176 0.516E-01 0.337E-01 DAV: 3 -0.499337621446E+03 -0.38150E-02 -0.41716E-03 2240 0.232E-01 0.520E-01 DAV: 4 -0.499332626219E+03 0.49952E-02 -0.19028E-03 2272 0.160E-01 0.106E-01 DAV: 5 -0.499332721718E+03 -0.95499E-04 -0.12576E-03 2304 0.755E-02 0.953E-02 DAV: 6 -0.499332694910E+03 0.26808E-04 -0.15213E-03 2240 0.344E-02 0.792E-02 DAV: 7 -0.499332636071E+03 0.58838E-04 -0.33288E-04 2208 0.204E-02 0.187E-02 DAV: 8 -0.499332636444E+03 -0.37245E-06 -0.15154E-05 2016 0.109E-02 153 F= -.50453581E+03 E0= -.50452735E+03 d E =-.363824E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499332659436E+03 -0.23365E-04 -0.23479E-02 1920 0.360E-01 0.510E-02 DAV: 2 -0.499332763274E+03 -0.10384E-03 -0.50070E-04 2144 0.549E-02 0.715E-02 DAV: 3 -0.499332720525E+03 0.42749E-04 -0.59406E-05 1952 0.276E-02 0.438E-02 DAV: 4 -0.499332695934E+03 0.24592E-04 -0.12055E-05 1568 0.125E-02 0.997E-03 DAV: 5 -0.499332696248E+03 -0.31461E-06 -0.77554E-06 1408 0.687E-03 154 F= -.50453585E+03 E0= -.50452750E+03 d E =-.367406E-02 N E dE d eps ncg rms rms(c) DAV: 1 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0.501E-03 159 F= -.50454685E+03 E0= -.50453846E+03 d E =-.354011E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499346217694E+03 -0.17128E-03 -0.20914E-01 1856 0.107E+00 0.140E-01 DAV: 2 -0.499346606093E+03 -0.38840E-03 -0.41894E-03 2176 0.146E-01 0.662E-02 DAV: 3 -0.499346609328E+03 -0.32349E-05 -0.92744E-05 2176 0.293E-02 160 F= -.50454723E+03 E0= -.50453921E+03 d E =-.391872E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499347021687E+03 -0.41559E-03 -0.17091E+00 1792 0.303E+00 0.372E-01 DAV: 2 -0.499351005613E+03 -0.39839E-02 -0.33114E-02 2144 0.418E-01 0.340E-01 DAV: 3 -0.499351608250E+03 -0.60264E-03 -0.23693E-03 2336 0.171E-01 0.387E-01 DAV: 4 -0.499349721582E+03 0.18867E-02 -0.10265E-03 2240 0.116E-01 0.114E-01 DAV: 5 -0.499349702074E+03 0.19508E-04 -0.67335E-04 2080 0.660E-02 0.336E-02 DAV: 6 -0.499349694464E+03 0.76099E-05 -0.88790E-05 2144 0.238E-02 161 F= -.50455028E+03 E0= -.50454197E+03 d E =-.305482E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499349221206E+03 0.48087E-03 -0.60277E-01 1856 0.180E+00 0.216E-01 DAV: 2 -0.499350309471E+03 -0.10883E-02 -0.11937E-02 2048 0.243E-01 0.114E-01 DAV: 3 -0.499350373459E+03 -0.63988E-04 -0.59824E-04 2144 0.500E-02 0.115E-01 DAV: 4 -0.499350369590E+03 0.38686E-05 -0.92253E-04 2080 0.504E-02 0.111E-01 DAV: 5 -0.499350246463E+03 0.12313E-03 -0.23085E-04 1920 0.375E-02 0.177E-02 DAV: 6 -0.499350260759E+03 -0.14296E-04 -0.17519E-04 2176 0.167E-02 0.367E-02 DAV: 7 -0.499350247205E+03 0.13553E-04 -0.11969E-04 1600 0.910E-03 0.762E-03 DAV: 8 -0.499350247378E+03 -0.17251E-06 -0.34736E-06 1536 0.373E-03 162 F= -.50455082E+03 E0= -.50454254E+03 d E =-.359155E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499351248545E+03 -0.10013E-02 -0.96621E-01 1792 0.230E+00 0.280E-01 DAV: 2 -0.499353417535E+03 -0.21690E-02 -0.19141E-02 2144 0.316E-01 0.230E-01 DAV: 3 -0.499354220353E+03 -0.80282E-03 -0.13955E-03 2336 0.129E-01 0.319E-01 DAV: 4 -0.499352906940E+03 0.13134E-02 -0.64350E-04 2368 0.933E-02 0.835E-02 DAV: 5 -0.499352896909E+03 0.10031E-04 -0.35455E-04 2048 0.462E-02 0.233E-02 DAV: 6 -0.499352902305E+03 -0.53963E-05 -0.16902E-04 2240 0.194E-02 0.301E-02 DAV: 7 -0.499352896710E+03 0.55952E-05 -0.18335E-04 1664 0.980E-03 0.178E-02 DAV: 8 -0.499352894737E+03 0.19729E-05 -0.23751E-05 1536 0.623E-03 163 F= -.50455367E+03 E0= -.50454542E+03 d E =-.284921E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499351401574E+03 0.14951E-02 -0.14798E+00 1792 0.285E+00 0.348E-01 DAV: 2 -0.499354736703E+03 -0.33351E-02 -0.29280E-02 2176 0.392E-01 0.286E-01 DAV: 3 -0.499355890805E+03 -0.11541E-02 -0.21460E-03 2336 0.159E-01 0.386E-01 DAV: 4 -0.499353936475E+03 0.19543E-02 -0.97507E-04 2368 0.115E-01 0.104E-01 DAV: 5 -0.499353917311E+03 0.19164E-04 -0.52631E-04 2048 0.572E-02 0.283E-02 DAV: 6 -0.499353914356E+03 0.29551E-05 -0.10087E-04 2144 0.227E-02 0.209E-02 DAV: 7 -0.499353923335E+03 -0.89788E-05 -0.21737E-04 1696 0.118E-02 0.333E-02 DAV: 8 -0.499353913064E+03 0.10271E-04 -0.99027E-05 1600 0.858E-03 0.645E-03 DAV: 9 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DAV: 5 -0.499356897093E+03 -0.31394E-03 -0.27905E-03 2400 0.529E-02 0.161E-01 DAV: 6 -0.499356586642E+03 0.31045E-03 -0.11498E-03 2368 0.341E-02 0.212E-02 DAV: 7 -0.499356585445E+03 0.11964E-05 -0.85354E-05 2208 0.138E-02 166 F= -.50455777E+03 E0= -.50454958E+03 d E =-.283029E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499356561267E+03 0.25375E-04 -0.11668E+00 1792 0.252E+00 0.315E-01 DAV: 2 -0.499358731849E+03 -0.21706E-02 -0.23992E-02 2176 0.347E-01 0.162E-01 DAV: 3 -0.499358801710E+03 -0.69861E-04 -0.51511E-04 2240 0.730E-02 0.160E-01 DAV: 4 -0.499358848446E+03 -0.46735E-04 -0.42906E-04 2208 0.710E-02 0.153E-01 DAV: 5 -0.499358563237E+03 0.28521E-03 -0.27671E-04 2016 0.525E-02 0.207E-02 DAV: 6 -0.499358573541E+03 -0.10304E-04 -0.14530E-04 2304 0.227E-02 0.245E-02 DAV: 7 -0.499358570975E+03 0.25656E-05 -0.13885E-04 1664 0.935E-03 0.179E-02 DAV: 8 -0.499358568224E+03 0.27513E-05 -0.25008E-05 1472 0.501E-03 167 F= -.50456012E+03 E0= -.50455193E+03 d E =-.234400E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499358158730E+03 0.41225E-03 -0.33098E-01 1792 0.134E+00 0.167E-01 DAV: 2 -0.499358781367E+03 -0.62264E-03 -0.68319E-03 2144 0.185E-01 0.888E-02 DAV: 3 -0.499358905952E+03 -0.12458E-03 -0.19710E-04 2080 0.480E-02 0.125E-01 DAV: 4 -0.499358752096E+03 0.15386E-03 -0.13544E-04 2016 0.405E-02 0.580E-02 DAV: 5 -0.499358725739E+03 0.26357E-04 -0.87643E-05 2176 0.255E-02 0.107E-02 DAV: 6 -0.499358726967E+03 -0.12283E-05 -0.24756E-05 1792 0.110E-02 168 F= -.50456047E+03 E0= -.50455231E+03 d E =-.269499E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499358393146E+03 0.33259E-03 -0.10447E+00 1792 0.239E+00 0.301E-01 DAV: 2 -0.499360479794E+03 -0.20866E-02 -0.22247E-02 2112 0.331E-01 0.163E-01 DAV: 3 -0.499361562060E+03 -0.10823E-02 -0.57710E-03 2080 0.116E-01 0.283E-01 DAV: 4 -0.499360291708E+03 0.12704E-02 -0.92285E-04 2112 0.869E-02 0.913E-02 DAV: 5 -0.499360586786E+03 -0.29508E-03 -0.47608E-03 2144 0.581E-02 0.165E-01 DAV: 6 -0.499360263108E+03 0.32368E-03 -0.10729E-03 2208 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-0.50375E-05 2112 0.228E-02 0.151E-02 DAV: 8 -0.499361486239E+03 0.22051E-06 -0.16783E-05 1632 0.777E-03 172 F= -.50456690E+03 E0= -.50455892E+03 d E =-.340740E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499360762115E+03 0.72434E-03 -0.11738E+00 1792 0.250E+00 0.264E-01 DAV: 2 -0.499363336751E+03 -0.25746E-02 -0.24057E-02 2176 0.340E-01 0.215E-01 DAV: 3 -0.499364045500E+03 -0.70875E-03 -0.13745E-03 2208 0.126E-01 0.283E-01 DAV: 4 -0.499362827254E+03 0.12182E-02 -0.46704E-04 2144 0.818E-02 0.697E-02 DAV: 5 -0.499362985656E+03 -0.15840E-03 -0.16976E-03 2240 0.559E-02 0.119E-01 DAV: 6 -0.499362835920E+03 0.14974E-03 -0.11596E-03 2336 0.307E-02 0.217E-02 DAV: 7 -0.499362832611E+03 0.33094E-05 -0.34376E-05 2176 0.139E-02 173 F= -.50456907E+03 E0= -.50456115E+03 d E =-.217546E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499359477477E+03 0.33584E-02 -0.18927E+00 1792 0.318E+00 0.338E-01 DAV: 2 -0.499363708923E+03 -0.42314E-02 -0.38889E-02 2176 0.433E-01 0.282E-01 DAV: 3 -0.499364727433E+03 -0.10185E-02 -0.20151E-03 2208 0.162E-01 0.346E-01 DAV: 4 -0.499362818361E+03 0.19091E-02 -0.73297E-04 2048 0.102E-01 0.877E-02 DAV: 5 -0.499362849205E+03 -0.30844E-04 -0.71468E-04 2176 0.610E-02 0.473E-02 DAV: 6 -0.499362865622E+03 -0.16417E-04 -0.70873E-04 2240 0.286E-02 0.574E-02 DAV: 7 -0.499362831821E+03 0.33801E-04 -0.29529E-04 1984 0.165E-02 0.137E-02 DAV: 8 -0.499362831549E+03 0.27188E-06 -0.10953E-05 1568 0.715E-03 174 F= -.50457012E+03 E0= -.50456226E+03 d E =-.321899E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499361509784E+03 0.13220E-02 -0.17823E+00 1792 0.304E+00 0.387E-01 DAV: 2 -0.499364972585E+03 -0.34628E-02 -0.38010E-02 2176 0.418E-01 0.184E-01 DAV: 3 -0.499365667799E+03 -0.69521E-03 -0.11599E-03 2208 0.111E-01 0.252E-01 DAV: 4 -0.499364872330E+03 0.79547E-03 -0.67861E-04 1984 0.930E-02 0.124E-01 DAV: 5 -0.499364760215E+03 0.11212E-03 -0.36108E-04 2016 0.499E-02 0.352E-02 DAV: 6 -0.499364804158E+03 -0.43943E-04 -0.77555E-04 2272 0.270E-02 0.667E-02 DAV: 7 -0.499364757773E+03 0.46385E-04 -0.40790E-04 1792 0.165E-02 0.124E-02 DAV: 8 -0.499364757689E+03 0.83623E-07 -0.94919E-06 1440 0.569E-03 175 F= -.50457288E+03 E0= -.50456499E+03 d E =-.276271E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499363277830E+03 0.14799E-02 -0.81608E-01 1792 0.206E+00 0.262E-01 DAV: 2 -0.499364844839E+03 -0.15670E-02 -0.17414E-02 2176 0.283E-01 0.118E-01 DAV: 3 -0.499364881783E+03 -0.36944E-04 -0.37294E-04 2144 0.580E-02 0.107E-01 DAV: 4 -0.499364960224E+03 -0.78442E-04 -0.24942E-04 2080 0.556E-02 0.131E-01 DAV: 5 -0.499364759473E+03 0.20075E-03 -0.15324E-04 1952 0.402E-02 0.169E-02 DAV: 6 -0.499364764614E+03 -0.51410E-05 -0.49955E-05 2176 0.156E-02 176 F= -.50457345E+03 E0= -.50456551E+03 d E =-.333122E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499362219454E+03 0.25400E-02 -0.20651E+00 1792 0.329E+00 0.403E-01 DAV: 2 -0.499367390329E+03 -0.51709E-02 -0.45446E-02 2112 0.467E-01 0.378E-01 DAV: 3 -0.499368198880E+03 -0.80855E-03 -0.61649E-03 2048 0.191E-01 0.368E-01 DAV: 4 -0.499366004873E+03 0.21940E-02 -0.98074E-04 2016 0.119E-01 0.130E-01 DAV: 5 -0.499366796921E+03 -0.79205E-03 -0.11731E-02 2336 0.892E-02 0.258E-01 DAV: 6 -0.499365972191E+03 0.82473E-03 -0.23620E-03 2176 0.576E-02 0.415E-02 DAV: 7 -0.499365971542E+03 0.64912E-06 -0.35229E-04 2208 0.237E-02 0.239E-02 DAV: 8 -0.499365968598E+03 0.29435E-05 -0.27559E-05 1888 0.941E-03 177 F= -.50457594E+03 E0= -.50456811E+03 d E =-.249736E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499365016182E+03 0.95536E-03 -0.36076E-01 1792 0.138E+00 0.166E-01 DAV: 2 -0.499365802125E+03 -0.78594E-03 -0.78518E-03 2176 0.192E-01 0.121E-01 DAV: 3 -0.499366139266E+03 -0.33714E-03 -0.62044E-04 2016 0.728E-02 0.178E-01 DAV: 4 -0.499365681629E+03 0.45764E-03 -0.21358E-04 2048 0.545E-02 0.480E-02 DAV: 5 -0.499365746052E+03 -0.64423E-04 -0.65776E-04 2112 0.316E-02 0.776E-02 DAV: 6 -0.499365680561E+03 0.65492E-04 -0.56819E-04 2048 0.198E-02 0.130E-02 DAV: 7 -0.499365680484E+03 0.77020E-07 -0.13402E-05 1824 0.695E-03 178 F= -.50457620E+03 E0= -.50456828E+03 d E =-.274782E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499361680512E+03 0.40000E-02 -0.24609E+00 1792 0.364E+00 0.433E-01 DAV: 2 -0.499367287985E+03 -0.56075E-02 -0.52036E-02 2144 0.500E-01 0.319E-01 DAV: 3 -0.499369474051E+03 -0.21861E-02 -0.33679E-03 2112 0.207E-01 0.431E-01 DAV: 4 -0.499366142974E+03 0.33311E-02 -0.12610E-03 2144 0.131E-01 0.106E-01 DAV: 5 -0.499366209034E+03 -0.66061E-04 -0.86896E-04 2176 0.727E-02 0.797E-02 DAV: 6 -0.499366156123E+03 0.52912E-04 -0.33555E-04 2176 0.344E-02 0.414E-02 DAV: 7 -0.499366143566E+03 0.12557E-04 -0.22016E-04 2016 0.128E-02 0.214E-02 DAV: 8 -0.499366142677E+03 0.88838E-06 -0.16449E-05 1568 0.930E-03 179 F= -.50457874E+03 E0= -.50457076E+03 d E =-.254278E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499365004430E+03 0.11391E-02 -0.33318E-01 1792 0.134E+00 0.160E-01 DAV: 2 -0.499365804998E+03 -0.80057E-03 -0.71255E-03 2144 0.186E-01 0.128E-01 DAV: 3 -0.499366101281E+03 -0.29628E-03 -0.48209E-04 2080 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1792 0.892E-01 0.113E-01 DAV: 2 -0.499364951544E+03 -0.31989E-03 -0.32069E-03 2144 0.124E-01 0.654E-02 DAV: 3 -0.499365143129E+03 -0.19158E-03 -0.25345E-04 2016 0.490E-02 0.127E-01 DAV: 4 -0.499364909470E+03 0.23366E-03 -0.97698E-05 1920 0.343E-02 0.255E-02 DAV: 5 -0.499364932651E+03 -0.23181E-04 -0.22334E-04 2080 0.196E-02 0.425E-02 DAV: 6 -0.499364912978E+03 0.19673E-04 -0.16854E-04 1792 0.115E-02 0.776E-03 DAV: 7 -0.499364913017E+03 -0.38777E-07 -0.50758E-06 1504 0.482E-03 182 F= -.50458141E+03 E0= -.50457369E+03 d E =-.243478E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499361184622E+03 0.37284E-02 -0.17859E+00 1792 0.310E+00 0.386E-01 DAV: 2 -0.499365157396E+03 -0.39728E-02 -0.39590E-02 2176 0.441E-01 0.262E-01 DAV: 3 -0.499367079608E+03 -0.19222E-02 -0.26344E-03 2080 0.182E-01 0.385E-01 DAV: 4 -0.499364435177E+03 0.26444E-02 -0.11096E-03 2176 0.118E-01 0.865E-02 DAV: 5 -0.499364464329E+03 -0.29152E-04 -0.56297E-04 2304 0.550E-02 0.532E-02 DAV: 6 -0.499364462838E+03 0.14913E-05 -0.33155E-04 2208 0.267E-02 0.443E-02 DAV: 7 -0.499364447832E+03 0.15006E-04 -0.29955E-04 1984 0.139E-02 0.220E-02 DAV: 8 -0.499364444934E+03 0.28975E-05 -0.18541E-05 1504 0.706E-03 183 F= -.50458319E+03 E0= -.50457555E+03 d E =-.177649E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499363932610E+03 0.51522E-03 -0.70592E-02 1792 0.617E-01 0.779E-02 DAV: 2 -0.499364125309E+03 -0.19270E-03 -0.16083E-03 2144 0.905E-02 0.731E-02 DAV: 3 -0.499364157596E+03 -0.32287E-04 -0.13129E-04 2016 0.396E-02 0.825E-02 DAV: 4 -0.499364060327E+03 0.97269E-04 -0.39674E-05 1632 0.227E-02 0.174E-02 DAV: 5 -0.499364062449E+03 -0.21221E-05 -0.31988E-05 1920 0.111E-02 184 F= -.50458325E+03 E0= -.50457567E+03 d E =-.183811E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499361536835E+03 0.25235E-02 -0.11030E+00 1792 0.247E+00 0.293E-01 DAV: 2 -0.499363950353E+03 -0.24135E-02 -0.24663E-02 2176 0.350E-01 0.219E-01 DAV: 3 -0.499364715450E+03 -0.76510E-03 -0.36067E-03 2080 0.126E-01 0.271E-01 DAV: 4 -0.499363604033E+03 0.11114E-02 -0.66984E-04 2176 0.873E-02 0.110E-01 DAV: 5 -0.499364052012E+03 -0.44798E-03 -0.56385E-03 2176 0.688E-02 0.197E-01 DAV: 6 -0.499363561630E+03 0.49038E-03 -0.17445E-03 2208 0.485E-02 0.255E-02 DAV: 7 -0.499363563927E+03 -0.22971E-05 -0.12920E-04 2208 0.197E-02 0.145E-02 DAV: 8 -0.499363562295E+03 0.16315E-05 -0.10622E-05 1440 0.698E-03 185 F= -.50458476E+03 E0= -.50457728E+03 d E =-.151210E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499363184849E+03 0.37908E-03 -0.35255E-02 1792 0.442E-01 0.520E-02 DAV: 2 -0.499363257312E+03 -0.72463E-04 -0.78838E-04 2144 0.622E-02 0.309E-02 DAV: 3 -0.499363263854E+03 -0.65416E-05 -0.58814E-05 1600 0.150E-02 186 F= -.50458482E+03 E0= -.50457757E+03 d E =-.157146E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499360415098E+03 0.28422E-02 -0.12090E+00 1792 0.259E+00 0.304E-01 DAV: 2 -0.499363644893E+03 -0.32298E-02 -0.26214E-02 2176 0.368E-01 0.326E-01 DAV: 3 -0.499363501322E+03 0.14357E-03 -0.20272E-03 2112 0.146E-01 0.261E-01 DAV: 4 -0.499362478686E+03 0.10226E-02 -0.54503E-04 2016 0.824E-02 0.890E-02 DAV: 5 -0.499362723416E+03 -0.24473E-03 -0.25099E-03 2208 0.650E-02 0.145E-01 DAV: 6 -0.499362482642E+03 0.24077E-03 -0.14527E-03 2272 0.376E-02 0.282E-02 DAV: 7 -0.499362474582E+03 0.80600E-05 -0.53527E-05 2176 0.175E-02 187 F= -.50458633E+03 E0= -.50457899E+03 d E =-.150601E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499361050679E+03 0.14320E-02 -0.28583E-01 1792 0.126E+00 0.148E-01 DAV: 2 -0.499361986419E+03 -0.93574E-03 -0.64091E-03 2112 0.185E-01 0.191E-01 DAV: 3 -0.499361740297E+03 0.24612E-03 -0.45911E-04 1952 0.763E-02 0.119E-01 DAV: 4 -0.499361551972E+03 0.18832E-03 -0.11853E-04 1952 0.374E-02 0.431E-02 DAV: 5 -0.499361551729E+03 0.24384E-06 -0.10914E-04 2176 0.253E-02 0.120E-02 DAV: 6 -0.499361550399E+03 0.13291E-05 -0.14646E-05 1760 0.108E-02 188 F= -.50458651E+03 E0= -.50457919E+03 d E =-.169318E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499358778584E+03 0.27731E-02 -0.10740E+00 1792 0.243E+00 0.291E-01 DAV: 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0.281E-02 DAV: 7 -0.499359163517E+03 0.79474E-05 -0.67769E-05 1888 0.115E-02 190 F= -.50458850E+03 E0= -.50458138E+03 d E =-.198203E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499356805600E+03 0.23659E-02 -0.95095E-01 1792 0.230E+00 0.271E-01 DAV: 2 -0.499359031122E+03 -0.22255E-02 -0.21035E-02 2144 0.325E-01 0.204E-01 DAV: 3 -0.499359739622E+03 -0.70850E-03 -0.13869E-03 2144 0.133E-01 0.274E-01 DAV: 4 -0.499358551505E+03 0.11881E-02 -0.51522E-04 2176 0.764E-02 0.750E-02 DAV: 5 -0.499358551058E+03 0.44678E-06 -0.30053E-04 2176 0.409E-02 0.366E-02 DAV: 6 -0.499358543006E+03 0.80523E-05 -0.38883E-05 2144 0.172E-02 191 F= -.50458993E+03 E0= -.50458301E+03 d E =-.143589E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499356558602E+03 0.19925E-02 -0.46512E-01 1792 0.161E+00 0.189E-01 DAV: 2 -0.499357581752E+03 -0.10232E-02 -0.10322E-02 2176 0.226E-01 0.122E-01 DAV: 3 -0.499357981293E+03 -0.39954E-03 -0.58638E-04 2176 0.867E-02 0.192E-01 DAV: 4 -0.499357420448E+03 0.56085E-03 -0.24873E-04 2176 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-0.41959E-04 2048 0.673E-02 0.179E-01 DAV: 4 -0.499356728046E+03 0.42630E-03 -0.21154E-04 2048 0.560E-02 0.462E-02 DAV: 5 -0.499356716169E+03 0.11878E-04 -0.11258E-04 2112 0.261E-02 0.130E-02 DAV: 6 -0.499356715502E+03 0.66641E-06 -0.14383E-05 1632 0.103E-02 194 F= -.50459149E+03 E0= -.50458474E+03 d E =-.124387E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499356303276E+03 0.41289E-03 -0.28228E-01 1856 0.125E+00 0.132E-01 DAV: 2 -0.499357012064E+03 -0.70879E-03 -0.63163E-03 2016 0.178E-01 0.132E-01 DAV: 3 -0.499357011397E+03 0.66708E-06 -0.36201E-04 2080 0.648E-02 0.116E-01 DAV: 4 -0.499356817558E+03 0.19384E-03 -0.11985E-04 2016 0.376E-02 0.405E-02 DAV: 5 -0.499356816382E+03 0.11755E-05 -0.83311E-05 2016 0.223E-02 195 F= -.50459230E+03 E0= -.50458551E+03 d E =-.811258E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499356451677E+03 0.36588E-03 -0.15388E-01 1856 0.922E-01 0.997E-02 DAV: 2 -0.499356843533E+03 -0.39186E-03 -0.36509E-03 2016 0.132E-01 0.102E-01 DAV: 3 -0.499356838235E+03 0.52983E-05 -0.67524E-04 2048 0.492E-02 0.871E-02 DAV: 4 -0.499356735550E+03 0.10268E-03 -0.79601E-05 1952 0.283E-02 0.350E-02 DAV: 5 -0.499356773707E+03 -0.38157E-04 -0.55549E-04 1984 0.237E-02 0.570E-02 DAV: 6 -0.499356731264E+03 0.42443E-04 -0.26641E-04 1664 0.165E-02 0.706E-03 DAV: 7 -0.499356731782E+03 -0.51740E-06 -0.84965E-06 1696 0.620E-03 196 F= -.50459274E+03 E0= -.50458600E+03 d E =-.124898E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499355052784E+03 0.16785E-02 -0.61341E-01 1792 0.184E+00 0.193E-01 DAV: 2 -0.499356549048E+03 -0.14963E-02 -0.13616E-02 2080 0.261E-01 0.190E-01 DAV: 3 -0.499356586693E+03 -0.37646E-04 -0.76427E-04 2112 0.946E-02 0.168E-01 DAV: 4 -0.499356156795E+03 0.42990E-03 -0.25799E-04 2112 0.550E-02 0.586E-02 DAV: 5 -0.499356155341E+03 0.14541E-05 -0.18787E-04 2080 0.326E-02 0.206E-02 DAV: 6 -0.499356161851E+03 -0.65106E-05 -0.15974E-04 1984 0.163E-02 0.270E-02 DAV: 7 -0.499356153448E+03 0.84037E-05 -0.11173E-04 1664 0.892E-03 0.864E-03 DAV: 8 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-.50459415E+03 E0= -.50458751E+03 d E =-.865481E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499355238096E+03 0.73612E-03 -0.22054E-01 1856 0.111E+00 0.137E-01 DAV: 2 -0.499355827537E+03 -0.58944E-03 -0.49480E-03 2112 0.160E-01 0.123E-01 DAV: 3 -0.499355899407E+03 -0.71871E-04 -0.38361E-04 2112 0.687E-02 0.130E-01 DAV: 4 -0.499355635998E+03 0.26341E-03 -0.11793E-04 2176 0.384E-02 0.337E-02 DAV: 5 -0.499355635090E+03 0.90767E-06 -0.74519E-05 2144 0.201E-02 200 F= -.50459439E+03 E0= -.50458766E+03 d E =-.109848E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499354835710E+03 0.80029E-03 -0.47707E-01 1856 0.163E+00 0.250E-01 DAV: 2 -0.499356166851E+03 -0.13311E-02 -0.11037E-02 2176 0.235E-01 0.200E-01 DAV: 3 -0.499356453571E+03 -0.28672E-03 -0.12389E-03 2336 0.109E-01 0.240E-01 DAV: 4 -0.499355712732E+03 0.74084E-03 -0.40447E-04 2208 0.806E-02 0.766E-02 DAV: 5 -0.499355686598E+03 0.26134E-04 -0.33808E-04 2016 0.387E-02 0.449E-02 DAV: 6 -0.499355673316E+03 0.13283E-04 -0.57470E-04 2272 0.206E-02 0.300E-02 DAV: 7 -0.499355662555E+03 0.10760E-04 -0.75317E-05 1664 0.102E-02 0.886E-03 DAV: 8 -0.499355662731E+03 -0.17598E-06 -0.42886E-06 1504 0.531E-03 201 F= -.50459534E+03 E0= -.50458871E+03 d E =-.954858E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499354448513E+03 0.12140E-02 -0.36218E-01 1856 0.142E+00 0.217E-01 DAV: 2 -0.499355440086E+03 -0.99157E-03 -0.82276E-03 2240 0.204E-01 0.171E-01 DAV: 3 -0.499355699306E+03 -0.25922E-03 -0.81210E-04 2272 0.943E-02 0.212E-01 DAV: 4 -0.499355107982E+03 0.59132E-03 -0.29364E-04 2208 0.699E-02 0.640E-02 DAV: 5 -0.499355078263E+03 0.29719E-04 -0.14670E-04 1984 0.319E-02 0.164E-02 DAV: 6 -0.499355076025E+03 0.22376E-05 -0.21187E-05 2016 0.117E-02 202 F= -.50459556E+03 E0= -.50458895E+03 d E =-.117557E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499354821015E+03 0.25725E-03 -0.19466E-01 1792 0.103E+00 0.107E-01 DAV: 2 -0.499355205053E+03 -0.38404E-03 -0.42031E-03 2176 0.142E-01 0.598E-02 DAV: 3 -0.499355216235E+03 -0.11182E-04 -0.49869E-04 2272 0.309E-02 0.605E-02 DAV: 4 -0.499355195206E+03 0.21029E-04 -0.52694E-04 1728 0.234E-02 0.437E-02 DAV: 5 -0.499355194465E+03 0.74098E-06 -0.46001E-05 1952 0.212E-02 203 F= -.50459619E+03 E0= -.50458990E+03 d E =-.627177E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499351363560E+03 0.38316E-02 -0.17507E+00 1792 0.310E+00 0.320E-01 DAV: 2 -0.499354728964E+03 -0.33654E-02 -0.37105E-02 2176 0.423E-01 0.176E-01 DAV: 3 -0.499354594180E+03 0.13478E-03 -0.13872E-03 2208 0.741E-02 0.121E-01 DAV: 4 -0.499354982625E+03 -0.38845E-03 -0.57827E-03 2368 0.728E-02 0.200E-01 DAV: 5 -0.499354582569E+03 0.40006E-03 -0.22301E-03 2176 0.637E-02 0.741E-02 DAV: 6 -0.499354524633E+03 0.57936E-04 -0.21251E-04 1888 0.336E-02 0.419E-02 DAV: 7 -0.499354507915E+03 0.16718E-04 -0.14066E-04 2144 0.190E-02 0.125E-02 DAV: 8 -0.499354507808E+03 0.10654E-06 -0.59272E-06 1536 0.581E-03 204 F= -.50459703E+03 E0= -.50459051E+03 d E =-.146339E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499354903859E+03 -0.39594E-03 -0.20182E-01 1792 0.105E+00 0.151E-01 DAV: 2 -0.499355531722E+03 -0.62786E-03 -0.46469E-03 2080 0.156E-01 0.152E-01 DAV: 3 -0.499355507810E+03 0.23913E-04 -0.44470E-04 2016 0.736E-02 0.124E-01 DAV: 4 -0.499355258086E+03 0.24972E-03 -0.12630E-04 1952 0.404E-02 0.358E-02 DAV: 5 -0.499355258711E+03 -0.62489E-06 -0.75715E-05 2048 0.200E-02 205 F= -.50459798E+03 E0= -.50459140E+03 d E =-.953204E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499354974566E+03 0.28352E-03 -0.34721E-01 1792 0.138E+00 0.199E-01 DAV: 2 -0.499356029041E+03 -0.10545E-02 -0.79837E-03 2112 0.204E-01 0.197E-01 DAV: 3 -0.499356026365E+03 0.26757E-05 -0.82810E-04 2080 0.967E-02 0.164E-01 DAV: 4 -0.499355582572E+03 0.44379E-03 -0.22755E-04 2080 0.534E-02 0.490E-02 DAV: 5 -0.499355617586E+03 -0.35014E-04 -0.49859E-04 2240 0.313E-02 0.544E-02 DAV: 6 -0.499355584261E+03 0.33325E-04 -0.49416E-04 2144 0.188E-02 0.206E-02 DAV: 7 -0.499355578942E+03 0.53188E-05 -0.29076E-05 1920 0.894E-03 206 F= -.50459856E+03 E0= -.50459213E+03 d E =-.153867E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499355467363E+03 0.11690E-03 -0.30427E-02 1856 0.408E-01 0.593E-02 DAV: 2 -0.499355564617E+03 -0.97254E-04 -0.71089E-04 2080 0.614E-02 0.601E-02 DAV: 3 -0.499355558861E+03 0.57557E-05 -0.69613E-05 1920 0.290E-02 207 F= -.50459862E+03 E0= -.50459267E+03 d E =-.159720E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499355655879E+03 -0.91262E-04 -0.29804E-01 1824 0.127E+00 0.205E-01 DAV: 2 -0.499356233211E+03 -0.57733E-03 -0.64715E-03 2112 0.174E-01 0.911E-02 DAV: 3 -0.499356190315E+03 0.42897E-04 -0.14147E-04 2176 0.344E-02 0.517E-02 DAV: 4 -0.499356326935E+03 -0.13662E-03 -0.18027E-04 2048 0.383E-02 0.105E-01 DAV: 5 -0.499356176284E+03 0.15065E-03 -0.10575E-04 2048 0.319E-02 0.134E-02 DAV: 6 -0.499356177364E+03 -0.10801E-05 -0.27009E-05 1952 0.107E-02 208 F= -.50459946E+03 E0= -.50459300E+03 d E =-.835783E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499355829270E+03 0.34701E-03 -0.21985E-01 1792 0.109E+00 0.173E-01 DAV: 2 -0.499356278933E+03 -0.44966E-03 -0.49566E-03 2176 0.151E-01 0.814E-02 DAV: 3 -0.499356351905E+03 -0.72972E-04 -0.80530E-04 2016 0.442E-02 0.910E-02 DAV: 4 -0.499356262338E+03 0.89567E-04 -0.54293E-04 2016 0.387E-02 0.582E-02 DAV: 5 -0.499356265485E+03 -0.31469E-05 -0.15500E-04 1952 0.274E-02 0.493E-02 DAV: 6 -0.499356230028E+03 0.35457E-04 -0.30353E-04 1696 0.176E-02 0.112E-02 DAV: 7 -0.499356229030E+03 0.99740E-06 -0.18130E-05 1472 0.694E-03 209 F= -.50459970E+03 E0= -.50459325E+03 d E =-.107418E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499356204464E+03 0.25564E-04 -0.36697E-01 1792 0.142E+00 0.187E-01 DAV: 2 -0.499356963072E+03 -0.75861E-03 -0.81308E-03 2176 0.198E-01 0.979E-02 DAV: 3 -0.499357230251E+03 -0.26718E-03 -0.39780E-04 2048 0.661E-02 0.163E-01 DAV: 4 -0.499356878312E+03 0.35194E-03 -0.19611E-04 2016 0.532E-02 0.505E-02 DAV: 5 -0.499356858996E+03 0.19316E-04 -0.96081E-05 1952 0.254E-02 0.128E-02 DAV: 6 -0.499356859442E+03 -0.44553E-06 -0.18221E-05 1760 0.107E-02 210 F= -.50460072E+03 E0= -.50459430E+03 d E =-.102360E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499356382758E+03 0.47624E-03 -0.23460E-01 1792 0.114E+00 0.150E-01 DAV: 2 -0.499356869994E+03 -0.48724E-03 -0.53661E-03 2176 0.159E-01 0.791E-02 DAV: 3 -0.499357024667E+03 -0.15467E-03 -0.89970E-04 2048 0.524E-02 0.129E-01 DAV: 4 -0.499356817795E+03 0.20687E-03 -0.52639E-04 2080 0.421E-02 0.421E-02 DAV: 5 -0.499356823820E+03 -0.60245E-05 -0.12758E-04 1984 0.230E-02 0.398E-02 DAV: 6 -0.499356805871E+03 0.17949E-04 -0.27118E-04 1664 0.151E-02 0.148E-02 DAV: 7 -0.499356803907E+03 0.19646E-05 -0.19791E-05 1600 0.713E-03 211 F= -.50460098E+03 E0= -.50459454E+03 d E =-.128231E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499356650407E+03 0.15546E-03 -0.41756E-01 1792 0.152E+00 0.165E-01 DAV: 2 -0.499357437579E+03 -0.78717E-03 -0.89278E-03 2176 0.210E-01 0.988E-02 DAV: 3 -0.499357426148E+03 0.11431E-04 -0.20667E-04 2048 0.413E-02 0.836E-02 DAV: 4 -0.499357476651E+03 -0.50504E-04 -0.12281E-04 2048 0.382E-02 0.932E-02 DAV: 5 -0.499357369356E+03 0.10730E-03 -0.10047E-04 2016 0.335E-02 0.184E-02 DAV: 6 -0.499357371981E+03 -0.26249E-05 -0.42017E-05 2016 0.143E-02 212 F= -.50460204E+03 E0= -.50459558E+03 d E =-.105835E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499356764591E+03 0.60476E-03 -0.28367E-01 1792 0.126E+00 0.138E-01 DAV: 2 -0.499357311408E+03 -0.54682E-03 -0.62381E-03 2176 0.174E-01 0.851E-02 DAV: 3 -0.499357332487E+03 -0.21079E-04 -0.86509E-04 2048 0.401E-02 0.841E-02 DAV: 4 -0.499357288301E+03 0.44185E-04 -0.65277E-04 2048 0.305E-02 0.592E-02 DAV: 5 -0.499357300681E+03 -0.12380E-04 -0.90105E-05 1888 0.287E-02 0.529E-02 DAV: 6 -0.499357262261E+03 0.38421E-04 -0.26762E-04 1760 0.210E-02 0.162E-02 DAV: 7 -0.499357259963E+03 0.22983E-05 -0.31808E-05 1696 0.880E-03 213 F= -.50460233E+03 E0= -.50459592E+03 d E =-.135074E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499357082436E+03 0.17982E-03 -0.40284E-01 1792 0.149E+00 0.230E-01 DAV: 2 -0.499357888215E+03 -0.80578E-03 -0.89512E-03 2304 0.205E-01 0.975E-02 DAV: 3 -0.499358046031E+03 -0.15782E-03 -0.35834E-04 1984 0.578E-02 0.139E-01 DAV: 4 -0.499357820657E+03 0.22537E-03 -0.19393E-04 1920 0.523E-02 0.610E-02 DAV: 5 -0.499357773166E+03 0.47490E-04 -0.95841E-05 1888 0.268E-02 0.115E-02 DAV: 6 -0.499357775253E+03 -0.20868E-05 -0.20031E-05 1856 0.999E-03 214 F= -.50460318E+03 E0= -.50459684E+03 d E =-.846803E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499357653486E+03 0.11968E-03 -0.42225E-02 1792 0.482E-01 0.772E-02 DAV: 2 -0.499357741672E+03 -0.88186E-04 -0.10105E-03 2304 0.671E-02 0.352E-02 DAV: 3 -0.499357766350E+03 -0.24678E-04 -0.37938E-04 1920 0.220E-02 0.537E-02 DAV: 4 -0.499357732026E+03 0.34324E-04 -0.23474E-04 1408 0.184E-02 0.195E-02 DAV: 5 -0.499357737916E+03 -0.58903E-05 -0.32517E-05 1312 0.119E-02 215 F= -.50460325E+03 E0= -.50459674E+03 d E =-.916962E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499357920525E+03 -0.18850E-03 -0.34905E-01 1792 0.139E+00 0.201E-01 DAV: 2 -0.499358595406E+03 -0.67488E-03 -0.77178E-03 2208 0.194E-01 0.874E-02 DAV: 3 -0.499358567038E+03 0.28369E-04 -0.18652E-04 2240 0.390E-02 0.625E-02 DAV: 4 -0.499358663712E+03 -0.96675E-04 -0.15106E-04 2080 0.409E-02 0.101E-01 DAV: 5 -0.499358524685E+03 0.13903E-03 -0.86249E-05 2048 0.314E-02 0.134E-02 DAV: 6 -0.499358528039E+03 -0.33537E-05 -0.38922E-05 2080 0.122E-02 216 F= -.50460410E+03 E0= -.50459780E+03 d E =-.857208E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499358359817E+03 0.16487E-03 -0.18741E-01 1792 0.102E+00 0.148E-01 DAV: 2 -0.499358727662E+03 -0.36784E-03 -0.42084E-03 2208 0.142E-01 0.649E-02 DAV: 3 -0.499358717502E+03 0.10160E-04 -0.33102E-04 2240 0.299E-02 0.498E-02 DAV: 4 -0.499358742951E+03 -0.25449E-04 -0.69868E-04 2144 0.285E-02 0.649E-02 DAV: 5 -0.499358699021E+03 0.43930E-04 -0.13589E-04 1888 0.223E-02 0.244E-02 DAV: 6 -0.499358694574E+03 0.44475E-05 -0.83522E-05 1504 0.129E-02 217 F= -.50460432E+03 E0= -.50459797E+03 d E =-.107328E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499359071257E+03 -0.37224E-03 -0.17278E-01 1792 0.982E-01 0.111E-01 DAV: 2 -0.499359407287E+03 -0.33603E-03 -0.37544E-03 2208 0.134E-01 0.547E-02 DAV: 3 -0.499359393764E+03 0.13523E-04 -0.99440E-05 2176 0.265E-02 0.422E-02 DAV: 4 -0.499359420408E+03 -0.26644E-04 -0.52089E-05 1952 0.249E-02 0.531E-02 DAV: 5 -0.499359378328E+03 0.42080E-04 -0.30871E-05 1600 0.188E-02 0.836E-03 DAV: 6 -0.499359379580E+03 -0.12520E-05 -0.11839E-05 1472 0.769E-03 218 F= -.50460505E+03 E0= -.50459882E+03 d E =-.729602E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499357508131E+03 0.18702E-02 -0.15577E+00 1792 0.295E+00 0.333E-01 DAV: 2 -0.499360520332E+03 -0.30122E-02 -0.33695E-02 2304 0.402E-01 0.163E-01 DAV: 3 -0.499360397603E+03 0.12273E-03 -0.10395E-03 2240 0.794E-02 0.128E-01 DAV: 4 -0.499360597405E+03 -0.19980E-03 -0.10490E-03 1984 0.748E-02 0.148E-01 DAV: 5 -0.499360264594E+03 0.33281E-03 -0.28037E-04 1952 0.545E-02 0.462E-02 DAV: 6 -0.499360287692E+03 -0.23098E-04 -0.11260E-03 2176 0.313E-02 0.516E-02 DAV: 7 -0.499360251703E+03 0.35990E-04 -0.22716E-04 2272 0.174E-02 0.114E-02 DAV: 8 -0.499360251368E+03 0.33470E-06 -0.72238E-06 1600 0.577E-03 219 F= -.50460605E+03 E0= -.50459984E+03 d E =-.173399E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499360394318E+03 -0.14262E-03 -0.34291E-01 1792 0.138E+00 0.163E-01 DAV: 2 -0.499361070153E+03 -0.67583E-03 -0.75255E-03 2304 0.190E-01 0.730E-02 DAV: 3 -0.499361030761E+03 0.39392E-04 -0.21035E-04 2208 0.355E-02 0.538E-02 DAV: 4 -0.499361084497E+03 -0.53735E-04 -0.23175E-04 1920 0.343E-02 0.733E-02 DAV: 5 -0.499361003606E+03 0.80890E-04 -0.72162E-05 1920 0.271E-02 0.186E-02 DAV: 6 -0.499361009312E+03 -0.57052E-05 -0.20222E-04 1952 0.141E-02 0.234E-02 DAV: 7 -0.499361001593E+03 0.77184E-05 -0.55808E-05 1568 0.803E-03 220 F= -.50460702E+03 E0= -.50460082E+03 d E =-.969252E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499359504261E+03 0.15051E-02 -0.10597E+00 1792 0.243E+00 0.286E-01 DAV: 2 -0.499361581923E+03 -0.20777E-02 -0.23112E-02 2304 0.333E-01 0.128E-01 DAV: 3 -0.499361459816E+03 0.12211E-03 -0.53767E-04 2240 0.621E-02 0.942E-02 DAV: 4 -0.499361630353E+03 -0.17054E-03 -0.29865E-04 1984 0.603E-02 0.128E-01 DAV: 5 -0.499361363461E+03 0.26689E-03 -0.21731E-04 1952 0.470E-02 0.181E-02 DAV: 6 -0.499361368754E+03 -0.52924E-05 -0.74208E-05 2304 0.190E-02 221 F= -.50460778E+03 E0= -.50460155E+03 d E =-.172145E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499361177224E+03 0.18624E-03 -0.48454E-01 1792 0.164E+00 0.212E-01 DAV: 2 -0.499362141116E+03 -0.96389E-03 -0.10666E-02 2272 0.227E-01 0.981E-02 DAV: 3 -0.499362111864E+03 0.29252E-04 -0.55549E-04 2176 0.460E-02 0.721E-02 DAV: 4 -0.499362197409E+03 -0.85545E-04 -0.11043E-03 2048 0.444E-02 0.103E-01 DAV: 5 -0.499362072367E+03 0.12504E-03 -0.24507E-04 1952 0.356E-02 0.307E-02 DAV: 6 -0.499362068334E+03 0.40330E-05 -0.17782E-04 1920 0.175E-02 0.231E-02 DAV: 7 -0.499362062564E+03 0.57704E-05 -0.60707E-05 1664 0.842E-03 222 F= -.50460885E+03 E0= -.50460266E+03 d E =-.107756E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499360748753E+03 0.13196E-02 -0.68370E-01 1792 0.195E+00 0.252E-01 DAV: 2 -0.499362107438E+03 -0.13587E-02 -0.14979E-02 2304 0.270E-01 0.117E-01 DAV: 3 -0.499362094133E+03 0.13305E-04 -0.34196E-04 1952 0.576E-02 0.973E-02 DAV: 4 -0.499362142965E+03 -0.48832E-04 -0.27003E-04 2048 0.543E-02 0.109E-01 DAV: 5 -0.499361982214E+03 0.16075E-03 -0.13143E-04 1920 0.384E-02 0.179E-02 DAV: 6 -0.499361987198E+03 -0.49842E-05 -0.59573E-05 2176 0.149E-02 223 F= -.50460923E+03 E0= -.50460302E+03 d E =-.145852E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499361983481E+03 -0.12670E-05 -0.28017E-01 1792 0.125E+00 0.124E-01 DAV: 2 -0.499362550865E+03 -0.56738E-03 -0.59806E-03 2208 0.170E-01 0.792E-02 DAV: 3 -0.499362617588E+03 -0.66723E-04 -0.39120E-04 1984 0.446E-02 0.980E-02 DAV: 4 -0.499362502642E+03 0.11495E-03 -0.17897E-04 1920 0.356E-02 0.448E-02 DAV: 5 -0.499362498076E+03 0.45655E-05 -0.11437E-04 1952 0.227E-02 0.288E-02 DAV: 6 -0.499362493090E+03 0.49868E-05 -0.25715E-04 1760 0.145E-02 0.185E-02 DAV: 7 -0.499362489178E+03 0.39112E-05 -0.36412E-05 1504 0.713E-03 224 F= -.50461000E+03 E0= -.50460385E+03 d E =-.763319E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499358580922E+03 0.39122E-02 -0.25201E+00 1792 0.375E+00 0.368E-01 DAV: 2 -0.499363606456E+03 -0.50255E-02 -0.52992E-02 2208 0.507E-01 0.232E-01 DAV: 3 -0.499364096573E+03 -0.49012E-03 -0.17547E-03 2112 0.127E-01 0.285E-01 DAV: 4 -0.499363205846E+03 0.89073E-03 -0.72341E-04 2016 0.103E-01 0.140E-01 DAV: 5 -0.499363019726E+03 0.18612E-03 -0.58102E-04 1952 0.638E-02 0.305E-02 DAV: 6 -0.499363030954E+03 -0.11228E-04 -0.11557E-04 2112 0.261E-02 0.174E-02 DAV: 7 -0.499363031567E+03 -0.61330E-06 -0.18087E-05 1888 0.839E-03 225 F= -.50461133E+03 E0= -.50460523E+03 d E =-.209128E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499361847733E+03 0.11832E-02 -0.53693E-01 1792 0.173E+00 0.172E-01 DAV: 2 -0.499362937427E+03 -0.10897E-02 -0.11611E-02 2208 0.235E-01 0.111E-01 DAV: 3 -0.499363045770E+03 -0.10834E-03 -0.10228E-03 2112 0.614E-02 0.134E-01 DAV: 4 -0.499362842211E+03 0.20356E-03 -0.51772E-04 2048 0.488E-02 0.640E-02 DAV: 5 -0.499362839716E+03 0.24947E-05 -0.22585E-04 1984 0.322E-02 0.486E-02 DAV: 6 -0.499362817761E+03 0.21955E-04 -0.55759E-04 2048 0.217E-02 0.237E-02 DAV: 7 -0.499362811675E+03 0.60861E-05 -0.53045E-05 1536 0.957E-03 226 F= -.50461147E+03 E0= -.50460540E+03 d E =-.223458E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499362720219E+03 0.97542E-04 -0.59375E-01 1792 0.182E+00 0.210E-01 DAV: 2 -0.499363892187E+03 -0.11720E-02 -0.12669E-02 2208 0.248E-01 0.983E-02 DAV: 3 -0.499363922574E+03 -0.30386E-04 -0.32003E-04 1984 0.563E-02 0.983E-02 DAV: 4 -0.499363854988E+03 0.67585E-04 -0.17466E-04 2048 0.449E-02 0.728E-02 DAV: 5 -0.499363796057E+03 0.58931E-04 -0.95712E-05 1920 0.305E-02 0.152E-02 DAV: 6 -0.499363799770E+03 -0.37125E-05 -0.48691E-05 2016 0.137E-02 227 F= -.50461270E+03 E0= -.50460662E+03 d E =-.123164E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499361879238E+03 0.19168E-02 -0.12669E+00 1792 0.265E+00 0.310E-01 DAV: 2 -0.499364365543E+03 -0.24863E-02 -0.27047E-02 2208 0.362E-01 0.143E-01 DAV: 3 -0.499364354070E+03 0.11474E-04 -0.10901E-03 2080 0.778E-02 0.125E-01 DAV: 4 -0.499364342876E+03 0.11194E-04 -0.75193E-04 2048 0.644E-02 0.121E-01 DAV: 5 -0.499364190769E+03 0.15211E-03 -0.24803E-04 1984 0.503E-02 0.454E-02 DAV: 6 -0.499364187436E+03 0.33332E-05 -0.69396E-04 2112 0.282E-02 0.389E-02 DAV: 7 -0.499364168905E+03 0.18531E-04 -0.21726E-04 2112 0.157E-02 0.910E-03 DAV: 8 -0.499364169054E+03 -0.14935E-06 -0.66750E-06 1440 0.510E-03 228 F= -.50461343E+03 E0= -.50460744E+03 d E =-.195690E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499364505583E+03 -0.33668E-03 -0.16427E-01 1792 0.955E-01 0.147E-01 DAV: 2 -0.499364907759E+03 -0.40218E-03 -0.39297E-03 2240 0.141E-01 0.959E-02 DAV: 3 -0.499365093581E+03 -0.18582E-03 -0.33725E-04 2112 0.619E-02 0.126E-01 DAV: 4 -0.499364823004E+03 0.27058E-03 -0.17175E-04 2112 0.448E-02 0.324E-02 DAV: 5 -0.499364822246E+03 0.75751E-06 -0.55787E-05 2176 0.162E-02 229 F= -.50461422E+03 E0= -.50460821E+03 d E =-.797345E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499364493292E+03 0.32971E-03 -0.28901E-01 1792 0.127E+00 0.196E-01 DAV: 2 -0.499365202990E+03 -0.70970E-03 -0.70593E-03 2272 0.186E-01 0.130E-01 DAV: 3 -0.499365516463E+03 -0.31347E-03 -0.13905E-03 2112 0.837E-02 0.161E-01 DAV: 4 -0.499365059038E+03 0.45742E-03 -0.32437E-04 2080 0.590E-02 0.506E-02 DAV: 5 -0.499365120286E+03 -0.61248E-04 -0.12699E-03 2016 0.341E-02 0.705E-02 DAV: 6 -0.499365047022E+03 0.73265E-04 -0.53320E-04 2272 0.220E-02 0.119E-02 DAV: 7 -0.499365048038E+03 -0.10160E-05 -0.13017E-05 2048 0.708E-03 230 F= -.50461464E+03 E0= -.50460867E+03 d E =-.121519E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499365037518E+03 0.95035E-05 -0.26746E-01 1792 0.121E+00 0.191E-01 DAV: 2 -0.499365705683E+03 -0.66816E-03 -0.63574E-03 2080 0.175E-01 0.118E-01 DAV: 3 -0.499365995723E+03 -0.29004E-03 -0.65647E-04 2272 0.809E-02 0.188E-01 DAV: 4 -0.499365515442E+03 0.48028E-03 -0.23965E-04 2176 0.590E-02 0.413E-02 DAV: 5 -0.499365506256E+03 0.91858E-05 -0.10137E-04 2144 0.245E-02 0.142E-02 DAV: 6 -0.499365504611E+03 0.16454E-05 -0.12861E-05 1664 0.987E-03 231 F= -.50461553E+03 E0= -.50460955E+03 d E =-.886115E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499364786676E+03 0.71958E-03 -0.33652E-01 1792 0.136E+00 0.215E-01 DAV: 2 -0.499365634112E+03 -0.84744E-03 -0.80371E-03 2272 0.196E-01 0.134E-01 DAV: 3 -0.499366007831E+03 -0.37372E-03 -0.91206E-04 2336 0.923E-02 0.215E-01 DAV: 4 -0.499365382106E+03 0.62572E-03 -0.32835E-04 2272 0.670E-02 0.467E-02 DAV: 5 -0.499365371026E+03 0.11079E-04 -0.14312E-04 2080 0.281E-02 0.202E-02 DAV: 6 -0.499365373798E+03 -0.27722E-05 -0.17362E-04 2016 0.146E-02 0.243E-02 DAV: 7 -0.499365365932E+03 0.78666E-05 -0.93687E-05 1664 0.878E-03 232 F= -.50461587E+03 E0= -.50460987E+03 d E =-.123052E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499365121477E+03 0.25232E-03 -0.31431E-01 1792 0.132E+00 0.153E-01 DAV: 2 -0.499365752301E+03 -0.63082E-03 -0.68362E-03 2304 0.182E-01 0.827E-02 DAV: 3 -0.499365870018E+03 -0.11772E-03 -0.27094E-04 1952 0.554E-02 0.110E-01 DAV: 4 -0.499365685315E+03 0.18470E-03 -0.13732E-04 1952 0.405E-02 0.396E-02 DAV: 5 -0.499365679642E+03 0.56729E-05 -0.74592E-05 1952 0.211E-02 233 F= -.50461681E+03 E0= -.50461079E+03 d E =-.938407E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499363352760E+03 0.23326E-02 -0.11020E+00 1792 0.247E+00 0.287E-01 DAV: 2 -0.499365529732E+03 -0.21770E-02 -0.24117E-02 2272 0.341E-01 0.153E-01 DAV: 3 -0.499365843823E+03 -0.31409E-03 -0.21692E-03 1984 0.100E-01 0.183E-01 DAV: 4 -0.499365320335E+03 0.52349E-03 -0.57956E-04 1952 0.726E-02 0.800E-02 DAV: 5 -0.499365413102E+03 -0.92768E-04 -0.18353E-03 2016 0.520E-02 0.945E-02 DAV: 6 -0.499365279249E+03 0.13385E-03 -0.11216E-03 2208 0.337E-02 0.165E-02 DAV: 7 -0.499365280491E+03 -0.12422E-05 -0.33401E-05 2144 0.119E-02 234 F= -.50461758E+03 E0= -.50461154E+03 d E =-.171018E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499364886657E+03 0.39259E-03 -0.42785E-01 1792 0.153E+00 0.193E-01 DAV: 2 -0.499365913750E+03 -0.10271E-02 -0.91471E-03 2080 0.215E-01 0.145E-01 DAV: 3 -0.499366144547E+03 -0.23080E-03 -0.72354E-04 2080 0.927E-02 0.168E-01 DAV: 4 -0.499365641879E+03 0.50267E-03 -0.24194E-04 2144 0.542E-02 0.418E-02 DAV: 5 -0.499365640943E+03 0.93636E-06 -0.12894E-04 2176 0.265E-02 0.226E-02 DAV: 6 -0.499365638111E+03 0.28316E-05 -0.54954E-05 1792 0.122E-02 235 F= -.50461875E+03 E0= -.50461278E+03 d E =-.116397E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499362783136E+03 0.28578E-02 -0.12685E+00 1792 0.264E+00 0.331E-01 DAV: 2 -0.499365748634E+03 -0.29655E-02 -0.27004E-02 2144 0.368E-01 0.244E-01 DAV: 3 -0.499366414537E+03 -0.66590E-03 -0.22115E-03 2144 0.159E-01 0.266E-01 DAV: 4 -0.499365023726E+03 0.13908E-02 -0.69438E-04 2176 0.892E-02 0.801E-02 DAV: 5 -0.499365065429E+03 -0.41703E-04 -0.89709E-04 2208 0.546E-02 0.824E-02 DAV: 6 -0.499365008373E+03 0.57056E-04 -0.11061E-03 2240 0.309E-02 0.482E-02 DAV: 7 -0.499364980010E+03 0.28363E-04 -0.12834E-04 2112 0.163E-02 0.150E-02 DAV: 8 -0.499364982500E+03 -0.24900E-05 -0.85022E-06 1504 0.951E-03 236 F= -.50461948E+03 E0= -.50461348E+03 d E =-.189778E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499364619108E+03 0.36090E-03 -0.28169E-01 1792 0.124E+00 0.147E-01 DAV: 2 -0.499365174688E+03 -0.55558E-03 -0.58217E-03 2144 0.166E-01 0.773E-02 DAV: 3 -0.499365259861E+03 -0.85173E-04 -0.20594E-04 2112 0.449E-02 0.998E-02 DAV: 4 -0.499365141605E+03 0.11826E-03 -0.10779E-04 2016 0.391E-02 0.447E-02 DAV: 5 -0.499365122515E+03 0.19090E-04 -0.66796E-05 1952 0.215E-02 0.103E-02 DAV: 6 -0.499365124189E+03 -0.16736E-05 -0.13448E-05 1504 0.845E-03 237 F= -.50462032E+03 E0= -.50461452E+03 d E =-.845294E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499359560946E+03 0.55616E-02 -0.25327E+00 1792 0.372E+00 0.440E-01 DAV: 2 -0.499364532928E+03 -0.49720E-02 -0.52361E-02 2112 0.499E-01 0.234E-01 DAV: 3 -0.499365274113E+03 -0.74118E-03 -0.19657E-03 2048 0.134E-01 0.309E-01 DAV: 4 -0.499364247487E+03 0.10266E-02 -0.11290E-03 1984 0.118E-01 0.139E-01 DAV: 5 -0.499364040621E+03 0.20687E-03 -0.61845E-04 1952 0.654E-02 0.368E-02 DAV: 6 -0.499364049346E+03 -0.87252E-05 -0.30478E-04 2272 0.284E-02 0.325E-02 DAV: 7 -0.499364041199E+03 0.81475E-05 -0.18499E-04 2048 0.132E-02 0.205E-02 DAV: 8 -0.499364038823E+03 0.23756E-05 -0.24136E-05 1536 0.643E-03 238 F= -.50462135E+03 E0= -.50461563E+03 d E =-.186870E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499363155447E+03 0.88575E-03 -0.69916E-01 1792 0.195E+00 0.213E-01 DAV: 2 -0.499364501153E+03 -0.13457E-02 -0.14718E-02 2176 0.267E-01 0.105E-01 DAV: 3 -0.499364503302E+03 -0.21490E-05 -0.30789E-04 2080 0.536E-02 0.885E-02 DAV: 4 -0.499364516888E+03 -0.13586E-04 -0.19590E-04 2048 0.467E-02 0.910E-02 DAV: 5 -0.499364413876E+03 0.10301E-03 -0.12343E-04 1920 0.366E-02 0.161E-02 DAV: 6 -0.499364415999E+03 -0.21235E-05 -0.33972E-05 2080 0.144E-02 239 F= -.50462282E+03 E0= -.50461705E+03 d E =-.147391E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499355408689E+03 0.90052E-02 -0.42692E+00 1792 0.482E+00 0.528E-01 DAV: 2 -0.499363568098E+03 -0.81594E-02 -0.89166E-02 2144 0.657E-01 0.259E-01 DAV: 3 -0.499363495526E+03 0.72571E-04 -0.18167E-03 2144 0.129E-01 0.201E-01 DAV: 4 -0.499363769415E+03 -0.27389E-03 -0.12108E-03 2080 0.115E-01 0.242E-01 DAV: 5 -0.499363078275E+03 0.69114E-03 -0.77191E-04 1952 0.961E-02 0.534E-02 DAV: 6 -0.499363066596E+03 0.11679E-04 -0.27312E-04 2176 0.391E-02 0.254E-02 DAV: 7 -0.499363064848E+03 0.17484E-05 -0.17985E-04 2080 0.145E-02 0.209E-02 DAV: 8 -0.499363059805E+03 0.50432E-05 -0.54032E-05 1472 0.795E-03 240 F= -.50462417E+03 E0= -.50461846E+03 d E =-.282040E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499361396719E+03 0.16681E-02 -0.10222E+00 1792 0.237E+00 0.250E-01 DAV: 2 -0.499363590443E+03 -0.21937E-02 -0.21427E-02 2144 0.327E-01 0.184E-01 DAV: 3 -0.499363899417E+03 -0.30897E-03 -0.10459E-03 2016 0.111E-01 0.195E-01 DAV: 4 -0.499363237524E+03 0.66189E-03 -0.39190E-04 2016 0.698E-02 0.675E-02 DAV: 5 -0.499363243266E+03 -0.57418E-05 -0.26983E-04 2144 0.388E-02 0.277E-02 DAV: 6 -0.499363241317E+03 0.19492E-05 -0.88115E-05 2016 0.185E-02 241 F= -.50462558E+03 E0= -.50461996E+03 d E =-.140850E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499358833105E+03 0.44102E-02 -0.19485E+00 1792 0.328E+00 0.349E-01 DAV: 2 -0.499363120443E+03 -0.42873E-02 -0.40900E-02 2144 0.454E-01 0.274E-01 DAV: 3 -0.499363575580E+03 -0.45514E-03 -0.24720E-03 2016 0.162E-01 0.260E-01 DAV: 4 -0.499362324008E+03 0.12516E-02 -0.73889E-04 2016 0.937E-02 0.971E-02 DAV: 5 -0.499362490652E+03 -0.16664E-03 -0.20097E-03 2240 0.668E-02 0.115E-01 DAV: 6 -0.499362339412E+03 0.15124E-03 -0.17005E-03 2240 0.388E-02 0.438E-02 DAV: 7 -0.499362324100E+03 0.15312E-04 -0.95817E-05 2016 0.225E-02 0.229E-02 DAV: 8 -0.499362318134E+03 0.59659E-05 -0.13102E-05 1568 0.103E-02 242 F= -.50462634E+03 E0= -.50462070E+03 d E =-.216719E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499362120884E+03 0.20322E-03 -0.47541E-01 1792 0.164E+00 0.281E-01 DAV: 2 -0.499363109315E+03 -0.98843E-03 -0.10522E-02 2240 0.228E-01 0.102E-01 DAV: 3 -0.499363257577E+03 -0.14826E-03 -0.37998E-04 2048 0.657E-02 0.121E-01 DAV: 4 -0.499363036999E+03 0.22058E-03 -0.22526E-04 2048 0.515E-02 0.567E-02 DAV: 5 -0.499363011762E+03 0.25238E-04 -0.89254E-05 1952 0.256E-02 0.124E-02 DAV: 6 -0.499363014766E+03 -0.30047E-05 -0.42738E-05 1824 0.118E-02 243 F= -.50462775E+03 E0= -.50462214E+03 d E =-.141793E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499362082348E+03 0.92941E-03 -0.36998E-01 1792 0.145E+00 0.250E-01 DAV: 2 -0.499362842982E+03 -0.76063E-03 -0.82212E-03 2240 0.201E-01 0.852E-02 DAV: 3 -0.499362813074E+03 0.29908E-04 -0.34792E-04 2176 0.407E-02 0.573E-02 DAV: 4 -0.499362872176E+03 -0.59102E-04 -0.60125E-04 2048 0.377E-02 0.814E-02 DAV: 5 -0.499362789903E+03 0.82273E-04 -0.15407E-04 1920 0.297E-02 0.222E-02 DAV: 6 -0.499362790556E+03 -0.65345E-06 -0.13026E-04 2016 0.153E-02 0.209E-02 DAV: 7 -0.499362785170E+03 0.53856E-05 -0.50627E-05 1600 0.810E-03 244 F= -.50462816E+03 E0= -.50462259E+03 d E =-.182024E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499362776825E+03 0.13731E-04 -0.40283E-01 1792 0.151E+00 0.163E-01 DAV: 2 -0.499363636118E+03 -0.85929E-03 -0.84767E-03 2016 0.211E-01 0.115E-01 DAV: 3 -0.499363769188E+03 -0.13307E-03 -0.43989E-04 2080 0.731E-02 0.128E-01 DAV: 4 -0.499363490776E+03 0.27841E-03 -0.17244E-04 2112 0.463E-02 0.416E-02 DAV: 5 -0.499363492811E+03 -0.20346E-05 -0.11417E-04 2048 0.254E-02 0.144E-02 DAV: 6 -0.499363492267E+03 0.54391E-06 -0.24777E-05 1632 0.112E-02 245 F= -.50462952E+03 E0= -.50462403E+03 d E =-.136566E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499357059453E+03 0.64334E-02 -0.36232E+00 1792 0.454E+00 0.488E-01 DAV: 2 -0.499364670108E+03 -0.76107E-02 -0.75988E-02 2112 0.631E-01 0.343E-01 DAV: 3 -0.499365667792E+03 -0.99768E-03 -0.40778E-03 2048 0.219E-01 0.323E-01 DAV: 4 -0.499363461442E+03 0.22064E-02 -0.14818E-03 2112 0.128E-01 0.125E-01 DAV: 5 -0.499363717725E+03 -0.25628E-03 -0.18613E-03 2112 0.930E-02 0.147E-01 DAV: 6 -0.499363503080E+03 0.21464E-03 -0.26105E-03 2016 0.528E-02 0.727E-02 DAV: 7 -0.499363463645E+03 0.39436E-04 -0.35307E-04 2048 0.349E-02 0.408E-02 DAV: 8 -0.499363440795E+03 0.22849E-04 -0.43283E-05 1888 0.220E-02 0.163E-02 DAV: 9 -0.499363438502E+03 0.22931E-05 -0.62401E-06 1376 0.677E-03 246 F= -.50463141E+03 E0= -.50462609E+03 d E =-.325472E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499362869310E+03 0.57149E-03 -0.92571E-01 1792 0.227E+00 0.258E-01 DAV: 2 -0.499364636101E+03 -0.17668E-02 -0.19731E-02 2144 0.315E-01 0.137E-01 DAV: 3 -0.499364634527E+03 0.15741E-05 -0.47284E-04 1984 0.632E-02 0.115E-01 DAV: 4 -0.499364649116E+03 -0.14589E-04 -0.27143E-04 1920 0.617E-02 0.103E-01 DAV: 5 -0.499364495038E+03 0.15408E-03 -0.19728E-04 1952 0.422E-02 0.190E-02 DAV: 6 -0.499364498886E+03 -0.38481E-05 -0.57903E-05 2176 0.182E-02 247 F= -.50463350E+03 E0= -.50462827E+03 d E =-.209284E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499363620727E+03 0.87431E-03 -0.44721E-01 1792 0.158E+00 0.182E-01 DAV: 2 -0.499364485749E+03 -0.86502E-03 -0.96277E-03 2176 0.219E-01 0.951E-02 DAV: 3 -0.499364470029E+03 0.15720E-04 -0.26488E-04 2016 0.415E-02 0.710E-02 DAV: 4 -0.499364522511E+03 -0.52481E-04 -0.25992E-04 1984 0.433E-02 0.783E-02 DAV: 5 -0.499364432659E+03 0.89852E-04 -0.98812E-05 2016 0.314E-02 0.221E-02 DAV: 6 -0.499364434489E+03 -0.18307E-05 -0.21163E-04 2112 0.161E-02 0.190E-02 DAV: 7 -0.499364429819E+03 0.46699E-05 -0.41414E-05 1632 0.860E-03 248 F= -.50463414E+03 E0= -.50462898E+03 d E =-.273336E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499359233474E+03 0.52010E-02 -0.17878E+00 1792 0.316E+00 0.359E-01 DAV: 2 -0.499362631429E+03 -0.33980E-02 -0.38088E-02 2176 0.437E-01 0.186E-01 DAV: 3 -0.499362505942E+03 0.12549E-03 -0.78257E-04 2048 0.781E-02 0.127E-01 DAV: 4 -0.499362813198E+03 -0.30726E-03 -0.56444E-04 2080 0.863E-02 0.154E-01 DAV: 5 -0.499362389345E+03 0.42385E-03 -0.39275E-04 2016 0.618E-02 0.275E-02 DAV: 6 -0.499362396342E+03 -0.69970E-05 -0.13866E-04 2304 0.269E-02 0.188E-02 DAV: 7 -0.499362396140E+03 0.20152E-06 -0.37639E-05 1728 0.907E-03 249 F= -.50463351E+03 E0= -.50462843E+03 d E =-.209703E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499362422948E+03 -0.26606E-04 -0.10005E+00 1792 0.236E+00 0.268E-01 DAV: 2 -0.499364297839E+03 -0.18749E-02 -0.21377E-02 2176 0.328E-01 0.136E-01 DAV: 3 -0.499364197262E+03 0.10058E-03 -0.45935E-04 2080 0.574E-02 0.859E-02 DAV: 4 -0.499364398269E+03 -0.20101E-03 -0.45195E-04 1984 0.618E-02 0.130E-01 DAV: 5 -0.499364163307E+03 0.23496E-03 -0.29313E-04 2048 0.491E-02 0.286E-02 DAV: 6 -0.499364162940E+03 0.36663E-06 -0.91866E-05 2048 0.201E-02 250 F= -.50463423E+03 E0= -.50462908E+03 d E =-.282088E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499363009620E+03 0.11537E-02 -0.99668E-01 1792 0.238E+00 0.290E-01 DAV: 2 -0.499364996103E+03 -0.19865E-02 -0.21317E-02 2176 0.328E-01 0.153E-01 DAV: 3 -0.499365117600E+03 -0.12150E-03 -0.72171E-04 1952 0.786E-02 0.154E-01 DAV: 4 -0.499364933018E+03 0.18458E-03 -0.51051E-04 1920 0.734E-02 0.980E-02 DAV: 5 -0.499364816126E+03 0.11689E-03 -0.24079E-04 1920 0.434E-02 0.282E-02 DAV: 6 -0.499364820314E+03 -0.41888E-05 -0.33767E-04 2208 0.222E-02 0.250E-02 DAV: 7 -0.499364811768E+03 0.85460E-05 -0.83529E-05 1664 0.120E-02 251 F= -.50463586E+03 E0= -.50463076E+03 d E =-.163187E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499363586165E+03 0.12341E-02 -0.47586E-01 1792 0.164E+00 0.203E-01 DAV: 2 -0.499364561549E+03 -0.97538E-03 -0.10236E-02 2176 0.228E-01 0.110E-01 DAV: 3 -0.499364657183E+03 -0.95634E-04 -0.31480E-04 1952 0.580E-02 0.116E-01 DAV: 4 -0.499364522866E+03 0.13432E-03 -0.19343E-04 1920 0.530E-02 0.665E-02 DAV: 5 -0.499364474669E+03 0.48197E-04 -0.11031E-04 1920 0.298E-02 0.131E-02 DAV: 6 -0.499364476481E+03 -0.18120E-05 -0.26601E-05 1888 0.127E-02 252 F= -.50463619E+03 E0= -.50463114E+03 d E =-.196290E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499363560728E+03 0.91394E-03 -0.10419E+00 1792 0.244E+00 0.278E-01 DAV: 2 -0.499365773093E+03 -0.22124E-02 -0.21934E-02 1984 0.338E-01 0.175E-01 DAV: 3 -0.499366102826E+03 -0.32973E-03 -0.11059E-03 2016 0.115E-01 0.183E-01 DAV: 4 -0.499365470311E+03 0.63251E-03 -0.48785E-04 2080 0.756E-02 0.622E-02 DAV: 5 -0.499365492010E+03 -0.21699E-04 -0.38352E-04 2176 0.385E-02 0.344E-02 DAV: 6 -0.499365486864E+03 0.51463E-05 -0.35737E-04 2112 0.207E-02 0.241E-02 DAV: 7 -0.499365480603E+03 0.62607E-05 -0.71752E-05 1792 0.117E-02 253 F= -.50463816E+03 E0= -.50463332E+03 d E =-.196567E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499362706574E+03 0.27803E-02 -0.13547E+00 1792 0.278E+00 0.317E-01 DAV: 2 -0.499365551894E+03 -0.28453E-02 -0.28489E-02 2144 0.385E-01 0.197E-01 DAV: 3 -0.499365929612E+03 -0.37772E-03 -0.13217E-03 2048 0.128E-01 0.197E-01 DAV: 4 -0.499365179834E+03 0.74978E-03 -0.61569E-04 2112 0.845E-02 0.704E-02 DAV: 5 -0.499365194129E+03 -0.14295E-04 -0.30904E-04 2112 0.411E-02 0.280E-02 DAV: 6 -0.499365191710E+03 0.24196E-05 -0.51159E-05 2048 0.198E-02 254 F= -.50463893E+03 E0= -.50463427E+03 d E =-.273415E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499364302142E+03 0.89199E-03 -0.94860E-01 1792 0.231E+00 0.240E-01 DAV: 2 -0.499366184910E+03 -0.18828E-02 -0.19884E-02 2144 0.319E-01 0.140E-01 DAV: 3 -0.499366293837E+03 -0.10893E-03 -0.70649E-04 1952 0.816E-02 0.131E-01 DAV: 4 -0.499366053585E+03 0.24025E-03 -0.31641E-04 1920 0.614E-02 0.707E-02 DAV: 5 -0.499366044569E+03 0.90160E-05 -0.38538E-04 1984 0.407E-02 0.323E-02 DAV: 6 -0.499366032836E+03 0.11733E-04 -0.30765E-04 2176 0.212E-02 0.165E-02 DAV: 7 -0.499366029959E+03 0.28770E-05 -0.31562E-05 1696 0.105E-02 255 F= -.50464077E+03 E0= -.50463610E+03 d E =-.184341E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499359871265E+03 0.61616E-02 -0.31698E+00 1792 0.423E+00 0.436E-01 DAV: 2 -0.499366058342E+03 -0.61871E-02 -0.65735E-02 2176 0.579E-01 0.248E-01 DAV: 3 -0.499366237717E+03 -0.17938E-03 -0.16749E-03 1952 0.138E-01 0.208E-01 DAV: 4 -0.499365682800E+03 0.55492E-03 -0.96807E-04 1984 0.106E-01 0.129E-01 DAV: 5 -0.499365584807E+03 0.97993E-04 -0.58664E-04 1952 0.687E-02 0.288E-02 DAV: 6 -0.499365585006E+03 -0.19834E-06 -0.11141E-04 2080 0.294E-02 0.171E-02 DAV: 7 -0.499365584390E+03 0.61533E-06 -0.16615E-05 1472 0.932E-03 256 F= -.50464209E+03 E0= -.50463763E+03 d E =-.316083E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499363566728E+03 0.20183E-02 -0.15732E+00 1792 0.297E+00 0.300E-01 DAV: 2 -0.499366547770E+03 -0.29810E-02 -0.32581E-02 2144 0.405E-01 0.155E-01 DAV: 3 -0.499366413989E+03 0.13378E-03 -0.61779E-04 2272 0.679E-02 0.897E-02 DAV: 4 -0.499366427262E+03 -0.13274E-04 -0.65038E-04 2144 0.549E-02 0.479E-02 DAV: 5 -0.499366419318E+03 0.79447E-05 -0.50625E-04 2176 0.320E-02 0.327E-02 DAV: 6 -0.499366407968E+03 0.11350E-04 -0.42042E-05 1856 0.190E-02 0.179E-02 DAV: 7 -0.499366405514E+03 0.24539E-05 -0.39691E-05 1504 0.101E-02 257 F= -.50464434E+03 E0= -.50464007E+03 d E =-.225520E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499361533307E+03 0.48747E-02 -0.22986E+00 1792 0.359E+00 0.363E-01 DAV: 2 -0.499365873457E+03 -0.43401E-02 -0.47466E-02 2144 0.489E-01 0.188E-01 DAV: 3 -0.499365676789E+03 0.19667E-03 -0.83687E-04 2272 0.818E-02 0.109E-01 DAV: 4 -0.499365713547E+03 -0.36758E-04 -0.58889E-04 2144 0.658E-02 0.667E-02 DAV: 5 -0.499365684642E+03 0.28905E-04 -0.17223E-04 1920 0.412E-02 0.418E-02 DAV: 6 -0.499365660398E+03 0.24245E-04 -0.47059E-05 1920 0.228E-02 0.132E-02 DAV: 7 -0.499365661849E+03 -0.14508E-05 -0.10571E-05 1568 0.737E-03 258 F= -.50464527E+03 E0= -.50464111E+03 d E =-.318104E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499363628118E+03 0.20323E-02 -0.15326E+00 1792 0.294E+00 0.316E-01 DAV: 2 -0.499366584605E+03 -0.29565E-02 -0.31657E-02 2144 0.400E-01 0.165E-01 DAV: 3 -0.499366454412E+03 0.13019E-03 -0.58942E-04 2176 0.700E-02 0.963E-02 DAV: 4 -0.499366515828E+03 -0.61415E-04 -0.46390E-04 2112 0.571E-02 0.690E-02 DAV: 5 -0.499366466362E+03 0.49465E-04 -0.18640E-04 1952 0.387E-02 0.363E-02 DAV: 6 -0.499366451789E+03 0.14573E-04 -0.47324E-05 1888 0.215E-02 0.143E-02 DAV: 7 -0.499366452725E+03 -0.93589E-06 -0.34317E-05 1568 0.865E-03 259 F= -.50464752E+03 E0= -.50464356E+03 d E =-.224850E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499358460741E+03 0.79910E-02 -0.38474E+00 1792 0.467E+00 0.502E-01 DAV: 2 -0.499365847965E+03 -0.73872E-02 -0.79170E-02 2144 0.633E-01 0.262E-01 DAV: 3 -0.499365515609E+03 0.33236E-03 -0.14452E-03 2144 0.110E-01 0.151E-01 DAV: 4 -0.499365555684E+03 -0.40075E-04 -0.10352E-03 2144 0.852E-02 0.716E-02 DAV: 5 -0.499365563724E+03 -0.80397E-05 -0.30071E-04 2016 0.524E-02 0.606E-02 DAV: 6 -0.499365509372E+03 0.54352E-04 -0.98727E-05 1984 0.327E-02 0.203E-02 DAV: 7 -0.499365512323E+03 -0.29510E-05 -0.28432E-05 1952 0.107E-02 260 F= -.50464880E+03 E0= -.50464514E+03 d E =-.353214E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499364669461E+03 0.83991E-03 -0.12173E+00 1792 0.262E+00 0.272E-01 DAV: 2 -0.499367022339E+03 -0.23529E-02 -0.25277E-02 2176 0.358E-01 0.142E-01 DAV: 3 -0.499366924353E+03 0.97987E-04 -0.46576E-04 2112 0.602E-02 0.842E-02 DAV: 4 -0.499366955942E+03 -0.31589E-04 -0.38781E-04 2144 0.502E-02 0.542E-02 DAV: 5 -0.499366931027E+03 0.24914E-04 -0.15636E-04 1952 0.330E-02 0.296E-02 DAV: 6 -0.499366920929E+03 0.10098E-04 -0.36448E-05 1760 0.194E-02 0.117E-02 DAV: 7 -0.499366921658E+03 -0.72915E-06 -0.25690E-05 1536 0.810E-03 261 F= -.50465135E+03 E0= -.50464780E+03 d E =-.255111E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499362709921E+03 0.42110E-02 -0.27954E+00 1792 0.397E+00 0.412E-01 DAV: 2 -0.499368086421E+03 -0.53765E-02 -0.57748E-02 2176 0.541E-01 0.215E-01 DAV: 3 -0.499367849168E+03 0.23725E-03 -0.10046E-03 2176 0.901E-02 0.126E-01 DAV: 4 -0.499367848833E+03 0.33553E-06 -0.75392E-04 2048 0.711E-02 0.506E-02 DAV: 5 -0.499367866899E+03 -0.18067E-04 -0.18753E-04 2080 0.409E-02 0.434E-02 DAV: 6 -0.499367838653E+03 0.28247E-04 -0.66207E-05 2016 0.262E-02 0.146E-02 DAV: 7 -0.499367839745E+03 -0.10925E-05 -0.10831E-05 1536 0.818E-03 262 F= -.50465397E+03 E0= -.50465060E+03 d E =-.516338E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499345019979E+03 0.22819E-01 -0.11150E+01 1792 0.794E+00 0.821E-01 DAV: 2 -0.499366312591E+03 -0.21293E-01 -0.22981E-01 2176 0.108E+00 0.433E-01 DAV: 3 -0.499365333340E+03 0.97925E-03 -0.40310E-03 2176 0.179E-01 0.253E-01 DAV: 4 -0.499365262597E+03 0.70743E-04 -0.30341E-03 2144 0.143E-01 0.932E-02 DAV: 5 -0.499365290001E+03 -0.27404E-04 -0.64698E-04 2176 0.813E-02 0.594E-02 DAV: 6 -0.499365276329E+03 0.13672E-04 -0.22637E-04 2048 0.420E-02 0.394E-02 DAV: 7 -0.499365258853E+03 0.17477E-04 -0.30463E-05 2048 0.166E-02 0.189E-02 DAV: 8 -0.499365259834E+03 -0.98097E-06 -0.15723E-05 1696 0.110E-02 263 F= -.50465468E+03 E0= -.50465166E+03 d E =-.588058E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499363668644E+03 0.15902E-02 -0.18658E+00 1856 0.325E+00 0.340E-01 DAV: 2 -0.499367250106E+03 -0.35815E-02 -0.38606E-02 2176 0.442E-01 0.177E-01 DAV: 3 -0.499367089177E+03 0.16093E-03 -0.68495E-04 2176 0.743E-02 0.102E-01 DAV: 4 -0.499367086508E+03 0.26686E-05 -0.49990E-04 2112 0.572E-02 0.355E-02 DAV: 5 -0.499367090454E+03 -0.39458E-05 -0.10217E-04 2272 0.298E-02 0.183E-02 DAV: 6 -0.499367093490E+03 -0.30355E-05 -0.21426E-05 1728 0.140E-02 264 F= -.50465518E+03 E0= -.50465215E+03 d E =-.637447E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499364925041E+03 0.21654E-02 -0.22465E+00 1856 0.354E+00 0.343E-01 DAV: 2 -0.499369135980E+03 -0.42109E-02 -0.45894E-02 2144 0.480E-01 0.192E-01 DAV: 3 -0.499368950480E+03 0.18550E-03 -0.82949E-04 2016 0.847E-02 0.117E-01 DAV: 4 -0.499369038239E+03 -0.87759E-04 -0.61033E-04 1952 0.735E-02 0.100E-01 DAV: 5 -0.499368909422E+03 0.12882E-03 -0.29172E-04 1920 0.544E-02 0.282E-02 DAV: 6 -0.499368903789E+03 0.56329E-05 -0.66975E-05 2048 0.240E-02 265 F= -.50465831E+03 E0= -.50465532E+03 d E =-.313477E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499333877105E+03 0.35032E-01 -0.20160E+01 1792 0.106E+01 0.103E+00 DAV: 2 -0.499371672218E+03 -0.37795E-01 -0.40902E-01 2176 0.143E+00 0.567E-01 DAV: 3 -0.499369974947E+03 0.16973E-02 -0.69114E-03 2144 0.241E-01 0.334E-01 DAV: 4 -0.499370040625E+03 -0.65678E-04 -0.51314E-03 2080 0.194E-01 0.183E-01 DAV: 5 -0.499369848292E+03 0.19233E-03 -0.15907E-03 1984 0.119E-01 0.848E-02 DAV: 6 -0.499369760132E+03 0.88159E-04 -0.42217E-04 2080 0.647E-02 0.334E-02 DAV: 7 -0.499369765030E+03 -0.48979E-05 -0.69622E-05 2144 0.199E-02 266 F= -.50466313E+03 E0= -.50466078E+03 d E =-.794893E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499365215783E+03 0.45443E-02 -0.43360E+00 1792 0.490E+00 0.497E-01 DAV: 2 -0.499373418563E+03 -0.82028E-02 -0.88308E-02 2144 0.660E-01 0.257E-01 DAV: 3 -0.499373032072E+03 0.38649E-03 -0.14493E-03 2208 0.110E-01 0.149E-01 DAV: 4 -0.499373005733E+03 0.26339E-04 -0.11665E-03 2112 0.915E-02 0.479E-02 DAV: 5 -0.499373012468E+03 -0.67346E-05 -0.22384E-04 2144 0.423E-02 0.251E-02 DAV: 6 -0.499373014230E+03 -0.17623E-05 -0.53803E-05 2112 0.195E-02 267 F= -.50466818E+03 E0= -.50466595E+03 d E =-.505344E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499364913793E+03 0.80987E-02 -0.52754E+00 1792 0.541E+00 0.550E-01 DAV: 2 -0.499374795243E+03 -0.98815E-02 -0.10650E-01 2144 0.726E-01 0.283E-01 DAV: 3 -0.499374316213E+03 0.47903E-03 -0.17513E-03 2208 0.122E-01 0.163E-01 DAV: 4 -0.499374281180E+03 0.35033E-04 -0.14309E-03 2112 0.101E-01 0.507E-02 DAV: 5 -0.499374284114E+03 -0.29340E-05 -0.28605E-04 2272 0.481E-02 0.226E-02 DAV: 6 -0.499374290149E+03 -0.60352E-05 -0.36783E-05 2144 0.144E-02 268 F= -.50467145E+03 E0= -.50466954E+03 d E =-.832608E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499332407177E+03 0.41877E-01 -0.21017E+01 1792 0.108E+01 0.110E+00 DAV: 2 -0.499371319776E+03 -0.38913E-01 -0.42114E-01 2176 0.145E+00 0.567E-01 DAV: 3 -0.499369304526E+03 0.20152E-02 -0.69848E-03 2176 0.244E-01 0.326E-01 DAV: 4 -0.499369086574E+03 0.21795E-03 -0.56662E-03 2112 0.202E-01 0.101E-01 DAV: 5 -0.499369091762E+03 -0.51876E-05 -0.11612E-03 2240 0.979E-02 0.437E-02 DAV: 6 -0.499369112995E+03 -0.21233E-04 -0.13980E-04 2144 0.272E-02 0.266E-02 DAV: 7 -0.499369119584E+03 -0.65891E-05 -0.12306E-05 1472 0.123E-02 269 F= -.50467024E+03 E0= -.50466890E+03 d E =-.711485E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499358404275E+03 0.10709E-01 -0.85555E+00 1792 0.690E+00 0.701E-01 DAV: 2 -0.499374567209E+03 -0.16163E-01 -0.17561E-01 2144 0.931E-01 0.367E-01 DAV: 3 -0.499373739505E+03 0.82770E-03 -0.29859E-03 2208 0.158E-01 0.215E-01 DAV: 4 -0.499373672160E+03 0.67344E-04 -0.24790E-03 2080 0.133E-01 0.688E-02 DAV: 5 -0.499373673289E+03 -0.11284E-05 -0.47959E-04 2304 0.629E-02 0.300E-02 DAV: 6 -0.499373681485E+03 -0.81965E-05 -0.69769E-05 2112 0.200E-02 270 F= -.50467228E+03 E0= -.50467063E+03 d E =-.915698E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499371827983E+03 0.18453E-02 -0.22364E+00 1792 0.352E+00 0.338E-01 DAV: 2 -0.499375954897E+03 -0.41269E-02 -0.44807E-02 2080 0.472E-01 0.188E-01 DAV: 3 -0.499375739195E+03 0.21570E-03 -0.74269E-04 2144 0.790E-02 0.108E-01 DAV: 4 -0.499375717355E+03 0.21839E-04 -0.56638E-04 2080 0.621E-02 0.342E-02 DAV: 5 -0.499375719048E+03 -0.16928E-05 -0.10714E-04 2272 0.301E-02 0.149E-02 DAV: 6 -0.499375720514E+03 -0.14659E-05 -0.17040E-05 1728 0.104E-02 271 F= -.50467560E+03 E0= -.50467409E+03 d E =-.332108E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499343496955E+03 0.32222E-01 -0.20067E+01 1792 0.106E+01 0.102E+00 DAV: 2 -0.499380596112E+03 -0.37099E-01 -0.40079E-01 2176 0.141E+00 0.559E-01 DAV: 3 -0.499378760973E+03 0.18351E-02 -0.64876E-03 2112 0.234E-01 0.322E-01 DAV: 4 -0.499378561915E+03 0.19906E-03 -0.48715E-03 2144 0.183E-01 0.100E-01 DAV: 5 -0.499378580375E+03 -0.18460E-04 -0.99101E-04 2304 0.945E-02 0.405E-02 DAV: 6 -0.499378602801E+03 -0.22426E-04 -0.13294E-04 2144 0.271E-02 0.265E-02 DAV: 7 -0.499378607454E+03 -0.46525E-05 -0.18280E-05 1792 0.135E-02 272 F= -.50468225E+03 E0= -.50468133E+03 d E =-.996603E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499225886771E+03 0.15272E+00 -0.79521E+01 1792 0.210E+01 0.203E+00 DAV: 2 -0.499371772537E+03 -0.14589E+00 -0.15920E+00 2176 0.282E+00 0.112E+00 DAV: 3 -0.499363916820E+03 0.78557E-02 -0.26078E-02 2112 0.471E-01 0.649E-01 DAV: 4 -0.499362655939E+03 0.12609E-02 -0.19268E-02 2144 0.367E-01 0.207E-01 DAV: 5 -0.499362730224E+03 -0.74285E-04 -0.41590E-03 2240 0.193E-01 0.811E-02 DAV: 6 -0.499362827819E+03 -0.97595E-04 -0.51429E-04 2176 0.538E-02 0.508E-02 DAV: 7 -0.499362864763E+03 -0.36945E-04 -0.85689E-05 2176 0.277E-02 0.204E-02 DAV: 8 -0.499362909750E+03 -0.44986E-04 -0.27505E-05 2112 0.162E-02 0.775E-03 DAV: 9 -0.499362929974E+03 -0.20224E-04 -0.56411E-06 1440 0.641E-03 0.517E-03 DAV: 10 -0.499362963254E+03 -0.33280E-04 -0.31198E-06 1440 0.544E-03 0.223E-03 DAV: 11 -0.499362983601E+03 -0.20347E-04 -0.26041E-06 1472 0.461E-03 0.156E-03 DAV: 12 -0.499363001044E+03 -0.17443E-04 -0.18176E-06 1408 0.390E-03 0.124E-03 DAV: 13 -0.499363006813E+03 -0.57688E-05 -0.45782E-07 1536 0.150E-03 273 F= -.50467333E+03 E0= -.50467329E+03 d E =-.104753E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499291045466E+03 0.71956E-01 -0.48685E+01 1792 0.164E+01 0.163E+00 DAV: 2 -0.499384095775E+03 -0.93050E-01 -0.10142E+00 2144 0.224E+00 0.892E-01 DAV: 3 -0.499378892789E+03 0.52030E-02 -0.17627E-02 2176 0.385E-01 0.521E-01 DAV: 4 -0.499378191302E+03 0.70149E-03 -0.12697E-02 2144 0.299E-01 0.172E-01 DAV: 5 -0.499378206574E+03 -0.15272E-04 -0.25985E-03 2272 0.155E-01 0.669E-02 DAV: 6 -0.499378262557E+03 -0.55983E-04 -0.38710E-04 2176 0.458E-02 0.425E-02 DAV: 7 -0.499378264970E+03 -0.24128E-05 -0.54242E-05 2144 0.228E-02 274 F= -.50468347E+03 E0= -.50468277E+03 d E =-.111850E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.499374093548E+03 0.41690E-02 -0.59355E+00 1792 0.575E+00 0.551E-01 DAV: 2 -0.499384885201E+03 -0.10792E-01 -0.11866E-01 2080 0.776E-01 0.304E-01 DAV: 3 -0.499384300933E+03 0.58427E-03 -0.19575E-03 2176 0.126E-01 0.181E-01 DAV: 4 -0.499384201301E+03 0.99631E-04 -0.15156E-03 2112 0.103E-01 0.555E-02 DAV: 5 -0.499384208207E+03 -0.69056E-05 -0.28883E-04 2240 0.505E-02 0.227E-02 DAV: 6 -0.499384213984E+03 -0.57774E-05 -0.39206E-05 2112 0.145E-02 275 F= -.50469124E+03 E0= -.50469084E+03 d E =-.777189E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499373102007E+03 0.11106E-01 -0.82241E+00 1792 0.677E+00 0.650E-01 DAV: 2 -0.499388023639E+03 -0.14922E-01 -0.16494E-01 2112 0.916E-01 0.359E-01 DAV: 3 -0.499387189870E+03 0.83377E-03 -0.27264E-03 2176 0.150E-01 0.214E-01 DAV: 4 -0.499387032466E+03 0.15740E-03 -0.21425E-03 2112 0.123E-01 0.662E-02 DAV: 5 -0.499387042436E+03 -0.99698E-05 -0.41449E-04 2272 0.607E-02 0.273E-02 DAV: 6 -0.499387053134E+03 -0.10699E-04 -0.57128E-05 2112 0.175E-02 0.171E-02 DAV: 7 -0.499387057427E+03 -0.42929E-05 -0.64826E-06 1408 0.856E-03 276 F= -.50469612E+03 E0= -.50469599E+03 d E =-.126542E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.499323369695E+03 0.63683E-01 -0.32705E+01 1792 0.135E+01 0.129E+00 DAV: 2 -0.499382051411E+03 -0.58682E-01 -0.65270E-01 2112 0.182E+00 0.719E-01 DAV: 3 -0.499378566099E+03 0.34853E-02 -0.10717E-02 2176 0.300E-01 0.432E-01 DAV: 4 -0.499377734694E+03 0.83140E-03 -0.86002E-03 2112 0.250E-01 0.136E-01 DAV: 5 -0.499377754431E+03 -0.19737E-04 -0.17523E-03 2272 0.124E-01 0.546E-02 DAV: 6 -0.499377785418E+03 -0.30986E-04 -0.22164E-04 2112 0.354E-02 0.335E-02 DAV: 7 -0.499377795429E+03 -0.10012E-04 -0.30138E-05 2080 0.195E-02 0.129E-02 DAV: 8 -0.499377813373E+03 -0.17944E-04 -0.12814E-05 1504 0.129E-02 0.458E-03 DAV: 9 -0.499377827078E+03 -0.13704E-04 -0.51379E-06 1472 0.701E-03 0.277E-03 DAV: 10 -0.499377841941E+03 -0.14863E-04 -0.18668E-06 1440 0.602E-03 0.138E-03 DAV: 11 -0.499377853378E+03 -0.11437E-04 -0.23975E-06 1472 0.582E-03 0.112E-03 DAV: 12 -0.499377861967E+03 -0.85888E-05 -0.18134E-06 1440 0.386E-03 277 F= -.50469059E+03 E0= -.50469059E+03 d E =-.712290E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499353807880E+03 0.24045E-01 -0.19195E+01 1792 0.104E+01 0.994E-01 DAV: 2 -0.499389308966E+03 -0.35501E-01 -0.39366E-01 2144 0.141E+00 0.553E-01 DAV: 3 -0.499387164519E+03 0.21444E-02 -0.67349E-03 2208 0.237E-01 0.325E-01 DAV: 4 -0.499386740965E+03 0.42355E-03 -0.54798E-03 2144 0.199E-01 0.102E-01 DAV: 5 -0.499386728109E+03 0.12856E-04 -0.10648E-03 2272 0.976E-02 0.432E-02 DAV: 6 -0.499386740281E+03 -0.12172E-04 -0.16130E-04 2080 0.298E-02 0.267E-02 DAV: 7 -0.499386736711E+03 0.35694E-05 -0.13926E-05 1632 0.142E-02 278 F= -.50469671E+03 E0= -.50469666E+03 d E =-.132400E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.499385414433E+03 0.13258E-02 -0.36914E+00 1792 0.450E+00 0.510E-01 DAV: 2 -0.499392010279E+03 -0.65958E-02 -0.75058E-02 2144 0.614E-01 0.255E-01 DAV: 3 -0.499391576595E+03 0.43368E-03 -0.14581E-03 2144 0.108E-01 0.142E-01 DAV: 4 -0.499391500755E+03 0.75839E-04 -0.96620E-04 2144 0.821E-02 0.422E-02 DAV: 5 -0.499391507945E+03 -0.71901E-05 -0.16036E-04 2240 0.369E-02 0.190E-02 DAV: 6 -0.499391511778E+03 -0.38332E-05 -0.22799E-05 1952 0.114E-02 279 F= -.50470266E+03 E0= -.50470263E+03 d E =-.595613E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499388876874E+03 0.26311E-02 -0.20235E+00 1792 0.333E+00 0.379E-01 DAV: 2 -0.499392509684E+03 -0.36328E-02 -0.41411E-02 2112 0.456E-01 0.188E-01 DAV: 3 -0.499392270256E+03 0.23943E-03 -0.80000E-04 2176 0.804E-02 0.105E-01 DAV: 4 -0.499392227527E+03 0.42730E-04 -0.53352E-04 2112 0.616E-02 0.312E-02 DAV: 5 -0.499392231800E+03 -0.42735E-05 -0.88883E-05 2304 0.276E-02 280 F= -.50470424E+03 E0= -.50470422E+03 d E =-.752961E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499394179737E+03 -0.19522E-02 -0.16228E+00 1792 0.296E+00 0.366E-01 DAV: 2 -0.499397196038E+03 -0.30163E-02 -0.33463E-02 2112 0.404E-01 0.185E-01 DAV: 3 -0.499397021802E+03 0.17424E-03 -0.57378E-04 2208 0.683E-02 0.103E-01 DAV: 4 -0.499397000760E+03 0.21042E-04 -0.36945E-04 2080 0.493E-02 0.296E-02 DAV: 5 -0.499397005041E+03 -0.42819E-05 -0.65727E-05 2304 0.244E-02 281 F= -.50470956E+03 E0= -.50470954E+03 d E =-.531870E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499389254786E+03 0.77460E-02 -0.63659E+00 1792 0.586E+00 0.724E-01 DAV: 2 -0.499400943960E+03 -0.11689E-01 -0.13006E-01 2144 0.797E-01 0.366E-01 DAV: 3 -0.499400232933E+03 0.71103E-03 -0.22279E-03 2144 0.135E-01 0.202E-01 DAV: 4 -0.499400128912E+03 0.10402E-03 -0.14361E-03 2080 0.972E-02 0.576E-02 DAV: 5 -0.499400141958E+03 -0.13046E-04 -0.25507E-04 2304 0.479E-02 0.247E-02 DAV: 6 -0.499400149299E+03 -0.73408E-05 -0.35427E-05 2016 0.143E-02 282 F= -.50471378E+03 E0= -.50471378E+03 d E =-.954381E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499401706313E+03 -0.15644E-02 -0.78454E-01 1792 0.206E+00 0.238E-01 DAV: 2 -0.499403105716E+03 -0.13994E-02 -0.15489E-02 2080 0.274E-01 0.112E-01 DAV: 3 -0.499403017667E+03 0.88049E-04 -0.25410E-04 2176 0.455E-02 0.642E-02 DAV: 4 -0.499403007177E+03 0.10489E-04 -0.22161E-04 2240 0.403E-02 0.191E-02 DAV: 5 -0.499403007501E+03 -0.32363E-06 -0.47044E-05 2304 0.190E-02 283 F= -.50471702E+03 E0= -.50471702E+03 d E =-.323913E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499396036271E+03 0.69709E-02 -0.70339E+00 1792 0.618E+00 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DAV: 2 -0.499444627366E+03 -0.11606E-03 -0.12875E-03 2112 0.815E-02 0.439E-02 DAV: 3 -0.499444619890E+03 0.74758E-05 -0.24717E-05 1824 0.160E-02 309 F= -.50476212E+03 E0= -.50476212E+03 d E =-.127530E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499444845179E+03 -0.21781E-03 -0.23450E-01 1792 0.115E+00 0.156E-01 DAV: 2 -0.499445280194E+03 -0.43502E-03 -0.49108E-03 2112 0.160E-01 0.849E-02 DAV: 3 -0.499445252966E+03 0.27228E-04 -0.95502E-05 2176 0.293E-02 0.485E-02 DAV: 4 -0.499445249788E+03 0.31782E-05 -0.66067E-05 2112 0.224E-02 310 F= -.50476209E+03 E0= -.50476209E+03 d E =-.124512E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499444825458E+03 0.42751E-03 -0.80890E-02 1792 0.678E-01 0.886E-02 DAV: 2 -0.499444977160E+03 -0.15170E-03 -0.16983E-03 2048 0.938E-02 0.447E-02 DAV: 3 -0.499444967862E+03 0.92981E-05 -0.30018E-05 1920 0.163E-02 311 F= -.50476220E+03 E0= -.50476219E+03 d E =-.135067E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499446440609E+03 -0.14634E-02 -0.32110E-01 1792 0.134E+00 0.143E-01 DAV: 2 -0.499447041981E+03 -0.60137E-03 -0.67575E-03 2048 0.185E-01 0.702E-02 DAV: 3 -0.499447000859E+03 0.41122E-04 -0.10869E-04 2176 0.312E-02 0.395E-02 DAV: 4 -0.499446994765E+03 0.60942E-05 -0.79637E-05 2080 0.233E-02 312 F= -.50476339E+03 E0= -.50476339E+03 d E =-.119275E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499447624339E+03 -0.62348E-03 -0.97024E-02 1856 0.734E-01 0.826E-02 DAV: 2 -0.499447801865E+03 -0.17753E-03 -0.20172E-03 2048 0.101E-01 0.408E-02 DAV: 3 -0.499447791333E+03 0.10532E-04 -0.35945E-05 2144 0.180E-02 0.229E-02 DAV: 4 -0.499447791334E+03 -0.15098E-08 -0.25156E-05 1888 0.134E-02 313 F= -.50476372E+03 E0= -.50476372E+03 d E =-.152781E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499448076753E+03 -0.28542E-03 -0.38713E-01 1792 0.147E+00 0.161E-01 DAV: 2 -0.499448786588E+03 -0.70983E-03 -0.80304E-03 2048 0.202E-01 0.796E-02 DAV: 3 -0.499448741237E+03 0.45350E-04 -0.13643E-04 2176 0.346E-02 0.448E-02 DAV: 4 -0.499448736307E+03 0.49302E-05 -0.98659E-05 2048 0.261E-02 314 F= -.50476374E+03 E0= -.50476374E+03 d E =-.154463E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499448030824E+03 0.71041E-03 -0.14109E-01 1792 0.887E-01 0.940E-02 DAV: 2 -0.499448288539E+03 -0.25772E-03 -0.28953E-03 2112 0.121E-01 0.468E-02 DAV: 3 -0.499448270430E+03 0.18109E-04 -0.47224E-05 2144 0.199E-02 0.263E-02 DAV: 4 -0.499448267191E+03 0.32386E-05 -0.33339E-05 2176 0.151E-02 315 F= -.50476383E+03 E0= -.50476383E+03 d E =-.163773E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499449443812E+03 -0.11734E-02 -0.20584E-01 1792 0.109E+00 0.185E-01 DAV: 2 -0.499449832051E+03 -0.38824E-03 -0.44021E-03 2112 0.152E-01 0.653E-02 DAV: 3 -0.499449795486E+03 0.36565E-04 -0.90010E-05 2112 0.283E-02 0.320E-02 DAV: 4 -0.499449788913E+03 0.65731E-05 -0.50940E-05 2048 0.205E-02 316 F= -.50476471E+03 E0= -.50476471E+03 d E =-.878361E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499450124682E+03 -0.32920E-03 -0.37018E-02 2048 0.461E-01 0.816E-02 DAV: 2 -0.499450194042E+03 -0.69360E-04 -0.79287E-04 2112 0.644E-02 0.288E-02 DAV: 3 -0.499450187774E+03 0.62677E-05 -0.15605E-05 1504 0.127E-02 317 F= -.50476484E+03 E0= -.50476484E+03 d E =-.100468E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499451216748E+03 -0.10227E-02 -0.13771E-01 1792 0.893E-01 0.165E-01 DAV: 2 -0.499451478816E+03 -0.26207E-03 -0.30145E-03 1952 0.126E-01 0.727E-02 DAV: 3 -0.499451456789E+03 0.22027E-04 -0.71822E-05 2176 0.246E-02 0.328E-02 DAV: 4 -0.499451453850E+03 0.29383E-05 -0.28741E-05 2144 0.156E-02 318 F= -.50476558E+03 E0= -.50476558E+03 d E =-.746151E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499451712842E+03 -0.25605E-03 -0.23649E-02 1856 0.370E-01 0.688E-02 DAV: 2 -0.499451759477E+03 -0.46635E-04 -0.52971E-04 2048 0.525E-02 0.314E-02 DAV: 3 -0.499451755752E+03 0.37250E-05 -0.12739E-05 1600 0.109E-02 319 F= -.50476567E+03 E0= -.50476567E+03 d E =-.832874E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499452665329E+03 -0.90585E-03 -0.86360E-02 1792 0.698E-01 0.761E-02 DAV: 2 -0.499452814629E+03 -0.14930E-03 -0.16313E-03 2048 0.921E-02 0.379E-02 DAV: 3 -0.499452805697E+03 0.89323E-05 -0.28046E-05 2048 0.152E-02 320 F= -.50476635E+03 E0= -.50476635E+03 d E =-.681340E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499453635053E+03 -0.82042E-03 -0.77649E-01 1792 0.209E+00 0.230E-01 DAV: 2 -0.499454968885E+03 -0.13338E-02 -0.14572E-02 2112 0.275E-01 0.114E-01 DAV: 3 -0.499454884801E+03 0.84084E-04 -0.25379E-04 2144 0.455E-02 0.628E-02 DAV: 4 -0.499454875694E+03 0.91064E-05 -0.19707E-04 2144 0.365E-02 0.166E-02 DAV: 5 -0.499454879172E+03 -0.34780E-05 -0.32402E-05 2144 0.167E-02 321 F= -.50476731E+03 E0= -.50476731E+03 d E =-.164097E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499455784193E+03 -0.90850E-03 -0.88423E-02 1792 0.697E-01 0.846E-02 DAV: 2 -0.499455945920E+03 -0.16173E-03 -0.17444E-03 2112 0.939E-02 0.408E-02 DAV: 3 -0.499455935753E+03 0.10167E-04 -0.27701E-05 2144 0.154E-02 0.216E-02 DAV: 4 -0.499455936459E+03 -0.70550E-06 -0.26748E-05 2112 0.134E-02 322 F= -.50476803E+03 E0= -.50476803E+03 d E =-.715539E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499456641495E+03 -0.70574E-03 -0.70330E-01 1792 0.197E+00 0.235E-01 DAV: 2 -0.499457895348E+03 -0.12539E-02 -0.13747E-02 2112 0.264E-01 0.115E-01 DAV: 3 -0.499457800675E+03 0.94673E-04 -0.22061E-04 2240 0.431E-02 0.618E-02 DAV: 4 -0.499457788554E+03 0.12121E-04 -0.22211E-04 2144 0.392E-02 0.149E-02 DAV: 5 -0.499457791060E+03 -0.25068E-05 -0.40292E-05 2144 0.167E-02 323 F= -.50476891E+03 E0= -.50476891E+03 d E =-.160143E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499458542139E+03 -0.75359E-03 -0.86364E-02 1856 0.699E-01 0.118E-01 DAV: 2 -0.499458712167E+03 -0.17003E-03 -0.18425E-03 2144 0.982E-02 0.488E-02 DAV: 3 -0.499458703499E+03 0.86676E-05 -0.46511E-05 2208 0.201E-02 324 F= -.50476949E+03 E0= -.50476949E+03 d E =-.580239E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499459143191E+03 -0.43102E-03 -0.10805E-01 1856 0.781E-01 0.135E-01 DAV: 2 -0.499459342607E+03 -0.19942E-03 -0.22160E-03 2112 0.108E-01 0.591E-02 DAV: 3 -0.499459329881E+03 0.12726E-04 -0.62663E-05 2208 0.234E-02 0.260E-02 DAV: 4 -0.499459331070E+03 -0.11890E-05 -0.20688E-05 1856 0.135E-02 325 F= -.50476975E+03 E0= -.50476974E+03 d E =-.832514E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499460164347E+03 -0.83447E-03 -0.10652E-01 1920 0.774E-01 0.120E-01 DAV: 2 -0.499460358741E+03 -0.19439E-03 -0.21715E-03 2176 0.107E-01 0.469E-02 DAV: 3 -0.499460346504E+03 0.12237E-04 -0.52932E-05 2176 0.212E-02 0.238E-02 DAV: 4 -0.499460346709E+03 -0.20541E-06 -0.27757E-05 2176 0.138E-02 326 F= -.50477041E+03 E0= -.50477041E+03 d E =-.664203E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499460893841E+03 -0.54734E-03 -0.23802E-01 1792 0.116E+00 0.180E-01 DAV: 2 -0.499461325992E+03 -0.43215E-03 -0.48469E-03 2048 0.159E-01 0.710E-02 DAV: 3 -0.499461296429E+03 0.29563E-04 -0.11878E-04 2144 0.319E-02 0.360E-02 DAV: 4 -0.499461295255E+03 0.11734E-05 -0.63106E-05 2144 0.210E-02 327 F= -.50477083E+03 E0= -.50477083E+03 d E =-.108295E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499462219253E+03 -0.92282E-03 -0.14804E-01 1824 0.891E-01 0.106E-01 DAV: 2 -0.499462494330E+03 -0.27508E-03 -0.30521E-03 2176 0.123E-01 0.536E-02 DAV: 3 -0.499462476085E+03 0.18246E-04 -0.61570E-05 2176 0.222E-02 0.298E-02 DAV: 4 -0.499462475850E+03 0.23479E-06 -0.55529E-05 2080 0.182E-02 328 F= -.50477157E+03 E0= -.50477157E+03 d E =-.743678E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499462920039E+03 -0.44395E-03 -0.51760E-02 1792 0.527E-01 0.641E-02 DAV: 2 -0.499463018003E+03 -0.97964E-04 -0.10856E-03 2208 0.731E-02 0.325E-02 DAV: 3 -0.499463011736E+03 0.62673E-05 -0.22171E-05 2048 0.134E-02 329 F= -.50477185E+03 E0= -.50477185E+03 d E =-.102030E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499463384622E+03 -0.36662E-03 -0.20414E-01 1792 0.105E+00 0.126E-01 DAV: 2 -0.499463743725E+03 -0.35910E-03 -0.40578E-03 2144 0.143E-01 0.636E-02 DAV: 3 -0.499463721098E+03 0.22627E-04 -0.84583E-05 2112 0.255E-02 0.351E-02 DAV: 4 -0.499463720114E+03 0.98402E-06 -0.77191E-05 2112 0.215E-02 330 F= -.50477204E+03 E0= -.50477204E+03 d E =-.120705E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499464397242E+03 -0.67614E-03 -0.10344E-01 1792 0.752E-01 0.842E-02 DAV: 2 -0.499464587273E+03 -0.19003E-03 -0.20336E-03 2112 0.101E-01 0.428E-02 DAV: 3 -0.499464578535E+03 0.87376E-05 -0.39197E-05 2144 0.182E-02 331 F= -.50477255E+03 E0= -.50477255E+03 d E =-.510162E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499464833523E+03 -0.24625E-03 -0.92199E-01 1792 0.225E+00 0.247E-01 DAV: 2 -0.499466457889E+03 -0.16244E-02 -0.17469E-02 2112 0.296E-01 0.125E-01 DAV: 3 -0.499466375600E+03 0.82289E-04 -0.31165E-04 2176 0.505E-02 0.698E-02 DAV: 4 -0.499466376759E+03 -0.11595E-05 -0.32956E-04 2144 0.474E-02 0.212E-02 DAV: 5 -0.499466375951E+03 0.80877E-06 -0.65055E-05 2272 0.214E-02 332 F= -.50477328E+03 E0= -.50477328E+03 d E =-.124852E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499467205267E+03 -0.82851E-03 -0.13485E-01 1792 0.873E-01 0.137E-01 DAV: 2 -0.499467474528E+03 -0.26926E-03 -0.28748E-03 2112 0.123E-01 0.606E-02 DAV: 3 -0.499467460663E+03 0.13865E-04 -0.67600E-05 2176 0.250E-02 0.294E-02 DAV: 4 -0.499467463049E+03 -0.23858E-05 -0.28602E-05 1984 0.147E-02 333 F= -.50477412E+03 E0= -.50477412E+03 d E =-.832750E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499467790222E+03 -0.32956E-03 -0.13871E-01 1792 0.885E-01 0.139E-01 DAV: 2 -0.499468062101E+03 -0.27188E-03 -0.29277E-03 2144 0.124E-01 0.623E-02 DAV: 3 -0.499468045909E+03 0.16192E-04 -0.71291E-05 2144 0.256E-02 0.299E-02 DAV: 4 -0.499468047347E+03 -0.14380E-05 -0.29667E-05 2048 0.146E-02 334 F= -.50477444E+03 E0= -.50477444E+03 d E =-.115530E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499468701698E+03 -0.65579E-03 -0.15425E-01 1792 0.924E-01 0.153E-01 DAV: 2 -0.499469006086E+03 -0.30439E-03 -0.32378E-03 2144 0.128E-01 0.559E-02 DAV: 3 -0.499468987526E+03 0.18560E-04 -0.63209E-05 2176 0.231E-02 0.282E-02 DAV: 4 -0.499468988761E+03 -0.12345E-05 -0.36337E-05 2144 0.157E-02 335 F= -.50477516E+03 E0= -.50477516E+03 d E =-.718443E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499469200657E+03 -0.21313E-03 -0.30335E-02 2048 0.410E-01 0.702E-02 DAV: 2 -0.499469261505E+03 -0.60848E-04 -0.64160E-04 2144 0.570E-02 0.261E-02 DAV: 3 -0.499469258394E+03 0.31106E-05 -0.12503E-05 1664 0.107E-02 336 F= -.50477533E+03 E0= -.50477533E+03 d E =-.888244E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499469322395E+03 -0.60890E-04 -0.11956E-01 1920 0.814E-01 0.136E-01 DAV: 2 -0.499469551466E+03 -0.22907E-03 -0.24562E-03 2048 0.112E-01 0.504E-02 DAV: 3 -0.499469537185E+03 0.14281E-04 -0.48036E-05 2144 0.199E-02 0.252E-02 DAV: 4 -0.499469537350E+03 -0.16423E-06 -0.28178E-05 2144 0.140E-02 337 F= -.50477540E+03 E0= -.50477540E+03 d E =-.965221E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499469991717E+03 -0.45453E-03 -0.82891E-02 1792 0.674E-01 0.786E-02 DAV: 2 -0.499470140861E+03 -0.14914E-03 -0.15872E-03 2112 0.895E-02 0.366E-02 DAV: 3 -0.499470134684E+03 0.61773E-05 -0.27208E-05 2112 0.148E-02 338 F= -.50477584E+03 E0= -.50477584E+03 d E =-.435225E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499470065116E+03 0.75746E-04 -0.73996E-01 1792 0.201E+00 0.232E-01 DAV: 2 -0.499471359425E+03 -0.12943E-02 -0.13873E-02 2112 0.265E-01 0.110E-01 DAV: 3 -0.499471297616E+03 0.61809E-04 -0.24002E-04 2176 0.432E-02 0.624E-02 DAV: 4 -0.499471297329E+03 0.28761E-06 -0.17887E-04 2144 0.347E-02 0.167E-02 DAV: 5 -0.499471301191E+03 -0.38625E-05 -0.29812E-05 2176 0.151E-02 339 F= -.50477651E+03 E0= -.50477651E+03 d E =-.110318E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499471896237E+03 -0.59891E-03 -0.40303E-02 2048 0.487E-01 0.116E-01 DAV: 2 -0.499471985926E+03 -0.89689E-04 -0.11024E-03 2144 0.755E-02 0.394E-02 DAV: 3 -0.499471974239E+03 0.11687E-04 -0.31744E-05 2112 0.167E-02 0.173E-02 DAV: 4 -0.499471972533E+03 0.17062E-05 -0.14067E-05 1568 0.110E-02 340 F= -.50477712E+03 E0= -.50477712E+03 d E =-.615813E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499472151414E+03 -0.17718E-03 -0.33044E-02 1920 0.440E-01 0.108E-01 DAV: 2 -0.499472223570E+03 -0.72156E-04 -0.89822E-04 2144 0.681E-02 0.378E-02 DAV: 3 -0.499472213196E+03 0.10375E-04 -0.26543E-05 1920 0.155E-02 0.161E-02 DAV: 4 -0.499472211591E+03 0.16044E-05 -0.12433E-05 1536 0.103E-02 341 F= -.50477731E+03 E0= -.50477731E+03 d E =-.804226E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499472593347E+03 -0.38015E-03 -0.32348E-02 1792 0.434E-01 0.940E-02 DAV: 2 -0.499472650750E+03 -0.57403E-04 -0.76084E-04 2304 0.643E-02 0.358E-02 DAV: 3 -0.499472644779E+03 0.59706E-05 -0.24356E-05 2048 0.131E-02 342 F= -.50477773E+03 E0= -.50477773E+03 d E =-.413462E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499472799887E+03 -0.14914E-03 -0.12937E-01 1792 0.868E-01 0.190E-01 DAV: 2 -0.499473012659E+03 -0.21277E-03 -0.29529E-03 2304 0.128E-01 0.744E-02 DAV: 3 -0.499472986535E+03 0.26124E-04 -0.10302E-04 2144 0.262E-02 0.449E-02 DAV: 4 -0.499472981654E+03 0.48810E-05 -0.54914E-05 2144 0.196E-02 343 F= -.50477802E+03 E0= -.50477802E+03 d E =-.709449E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499473206929E+03 -0.22039E-03 -0.24185E-02 1920 0.372E-01 0.607E-02 DAV: 2 -0.499473246172E+03 -0.39244E-04 -0.54943E-04 2304 0.552E-02 0.257E-02 DAV: 3 -0.499473241830E+03 0.43424E-05 -0.20043E-05 1760 0.122E-02 344 F= -.50477834E+03 E0= -.50477834E+03 d E =-.314908E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499473122355E+03 0.12382E-03 -0.21612E-01 1792 0.111E+00 0.183E-01 DAV: 2 -0.499473433725E+03 -0.31137E-03 -0.45980E-03 2304 0.161E-01 0.788E-02 DAV: 3 -0.499473394521E+03 0.39204E-04 -0.17911E-04 2272 0.344E-02 0.402E-02 DAV: 4 -0.499473388043E+03 0.64784E-05 -0.55915E-05 2112 0.187E-02 345 F= -.50477864E+03 E0= -.50477864E+03 d E =-.621957E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499473496404E+03 -0.10188E-03 -0.51218E-02 2048 0.540E-01 0.768E-02 DAV: 2 -0.499473589010E+03 -0.92605E-04 -0.10495E-03 2048 0.735E-02 0.344E-02 DAV: 3 -0.499473582394E+03 0.66154E-05 -0.21936E-05 1664 0.148E-02 346 F= -.50477904E+03 E0= -.50477904E+03 d E =-.393943E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499473275098E+03 0.31391E-03 -0.12381E-01 1792 0.840E-01 0.118E-01 DAV: 2 -0.499473488515E+03 -0.21342E-03 -0.24555E-03 1952 0.113E-01 0.529E-02 DAV: 3 -0.499473472882E+03 0.15633E-04 -0.51817E-05 2176 0.212E-02 0.289E-02 DAV: 4 -0.499473472086E+03 0.79684E-06 -0.35636E-05 2144 0.162E-02 347 F= -.50477924E+03 E0= -.50477924E+03 d E =-.593191E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499473695382E+03 -0.22250E-03 -0.92089E-02 1792 0.716E-01 0.948E-02 DAV: 2 -0.499473859286E+03 -0.16390E-03 -0.18234E-03 2112 0.963E-02 0.407E-02 DAV: 3 -0.499473846526E+03 0.12760E-04 -0.33002E-05 2176 0.174E-02 0.206E-02 DAV: 4 -0.499473845278E+03 0.12482E-05 -0.18681E-05 1920 0.125E-02 348 F= -.50477985E+03 E0= -.50477985E+03 d E =-.608553E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499473247464E+03 0.59906E-03 -0.35765E-01 1792 0.141E+00 0.187E-01 DAV: 2 -0.499473880909E+03 -0.63344E-03 -0.70658E-03 2144 0.190E-01 0.803E-02 DAV: 3 -0.499473827933E+03 0.52976E-04 -0.12566E-04 2176 0.335E-02 0.403E-02 DAV: 4 -0.499473818609E+03 0.93236E-05 -0.71994E-05 2144 0.244E-02 349 F= -.50478028E+03 E0= -.50478028E+03 d E =-.104082E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499474005262E+03 -0.17733E-03 -0.79613E-02 1856 0.667E-01 0.964E-02 DAV: 2 -0.499474142741E+03 -0.13748E-03 -0.15484E-03 2144 0.903E-02 0.369E-02 DAV: 3 -0.499474133521E+03 0.92192E-05 -0.29482E-05 1952 0.152E-02 350 F= -.50478078E+03 E0= -.50478078E+03 d E =-.498331E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499473433329E+03 0.70941E-03 -0.42860E-01 1792 0.155E+00 0.222E-01 DAV: 2 -0.499474149146E+03 -0.71582E-03 -0.81145E-03 2176 0.207E-01 0.869E-02 DAV: 3 -0.499474093446E+03 0.55700E-04 -0.16359E-04 2112 0.354E-02 0.435E-02 DAV: 4 -0.499474086319E+03 0.71268E-05 -0.86896E-05 2080 0.248E-02 351 F= -.50478115E+03 E0= -.50478115E+03 d E =-.872671E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499474158714E+03 -0.65268E-04 -0.23270E-02 2048 0.362E-01 0.484E-02 DAV: 2 -0.499474200623E+03 -0.41909E-04 -0.44619E-04 2144 0.485E-02 0.194E-02 DAV: 3 -0.499474198933E+03 0.16902E-05 -0.72541E-06 1440 0.797E-03 352 F= -.50478116E+03 E0= -.50478116E+03 d E =-.887583E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499474384073E+03 -0.18345E-03 -0.36372E-02 2048 0.459E-01 0.984E-02 DAV: 2 -0.499474464169E+03 -0.80096E-04 -0.92104E-04 2272 0.687E-02 0.399E-02 DAV: 3 -0.499474456394E+03 0.77756E-05 -0.22084E-05 1920 0.141E-02 353 F= -.50478151E+03 E0= -.50478151E+03 d E =-.344312E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499474433103E+03 0.31066E-04 -0.24628E-02 2176 0.377E-01 0.840E-02 DAV: 2 -0.499474481018E+03 -0.47916E-04 -0.58175E-04 2240 0.549E-02 0.371E-02 DAV: 3 -0.499474474772E+03 0.62460E-05 -0.14866E-05 1632 0.121E-02 354 F= -.50478160E+03 E0= -.50478160E+03 d E =-.434728E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499474590949E+03 -0.10993E-03 -0.20635E-02 2048 0.342E-01 0.529E-02 DAV: 2 -0.499474628652E+03 -0.37703E-04 -0.45254E-04 2080 0.487E-02 0.247E-02 DAV: 3 -0.499474625549E+03 0.31033E-05 -0.91893E-06 1568 0.921E-03 355 F= -.50478182E+03 E0= -.50478182E+03 d E =-.216859E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499474491106E+03 0.13755E-03 -0.94227E-02 1792 0.731E-01 0.114E-01 DAV: 2 -0.499474663887E+03 -0.17278E-03 -0.20807E-03 2048 0.105E-01 0.535E-02 DAV: 3 -0.499474649754E+03 0.14133E-04 -0.49642E-05 2112 0.201E-02 0.254E-02 DAV: 4 -0.499474646242E+03 0.35124E-05 -0.22159E-05 1760 0.141E-02 356 F= -.50478198E+03 E0= -.50478198E+03 d E =-.378075E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499474714034E+03 -0.64280E-04 -0.10813E-02 1888 0.245E-01 0.327E-02 DAV: 2 -0.499474732840E+03 -0.18806E-04 -0.21881E-04 2144 0.333E-02 0.135E-02 DAV: 3 -0.499474731751E+03 0.10895E-05 -0.43466E-06 1504 0.629E-03 357 F= -.50478213E+03 E0= -.50478213E+03 d E =-.151473E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499474699149E+03 0.33691E-04 -0.96840E-02 1792 0.734E-01 0.954E-02 DAV: 2 -0.499474860456E+03 -0.16131E-03 -0.19034E-03 2048 0.988E-02 0.397E-02 DAV: 3 -0.499474850600E+03 0.98565E-05 -0.42821E-05 2176 0.178E-02 358 F= -.50478245E+03 E0= -.50478245E+03 d E =-.467871E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499473906531E+03 0.95393E-03 -0.38685E-01 1792 0.147E+00 0.192E-01 DAV: 2 -0.499474543981E+03 -0.63745E-03 -0.75435E-03 2112 0.197E-01 0.804E-02 DAV: 3 -0.499474503988E+03 0.39993E-04 -0.17580E-04 2176 0.359E-02 0.463E-02 DAV: 4 -0.499474499425E+03 0.45628E-05 -0.11206E-04 2144 0.285E-02 0.151E-02 DAV: 5 -0.499474499749E+03 -0.32378E-06 -0.20907E-05 1824 0.136E-02 359 F= -.50478249E+03 E0= -.50478249E+03 d E =-.510604E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499474635428E+03 -0.13600E-03 -0.82255E-02 1792 0.677E-01 0.847E-02 DAV: 2 -0.499474771751E+03 -0.13632E-03 -0.16231E-03 2080 0.914E-02 0.365E-02 DAV: 3 -0.499474762287E+03 0.94633E-05 -0.37252E-05 2144 0.164E-02 360 F= -.50478257E+03 E0= -.50478257E+03 d E =-.592482E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499474794609E+03 -0.22858E-04 -0.32150E-02 1952 0.431E-01 0.786E-02 DAV: 2 -0.499474864038E+03 -0.69429E-04 -0.79619E-04 2112 0.636E-02 0.327E-02 DAV: 3 -0.499474856196E+03 0.78418E-05 -0.18687E-05 1760 0.143E-02 361 F= -.50478283E+03 E0= -.50478283E+03 d E =-.260510E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499474730510E+03 0.13353E-03 -0.26462E-02 2048 0.390E-01 0.760E-02 DAV: 2 -0.499474780672E+03 -0.50162E-04 -0.60243E-04 2176 0.558E-02 0.333E-02 DAV: 3 -0.499474774569E+03 0.61031E-05 -0.14197E-05 1440 0.130E-02 362 F= -.50478290E+03 E0= -.50478290E+03 d E =-.332091E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499474789046E+03 -0.83743E-05 -0.27379E-02 2016 0.396E-01 0.799E-02 DAV: 2 -0.499474840170E+03 -0.51124E-04 -0.58639E-04 2112 0.554E-02 0.313E-02 DAV: 3 -0.499474835450E+03 0.47208E-05 -0.13072E-05 1472 0.119E-02 363 F= -.50478312E+03 E0= -.50478312E+03 d E =-.217428E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499474600835E+03 0.23933E-03 -0.64043E-02 1792 0.606E-01 0.122E-01 DAV: 2 -0.499474720210E+03 -0.11937E-03 -0.13654E-03 2144 0.844E-02 0.487E-02 DAV: 3 -0.499474708588E+03 0.11622E-04 -0.36152E-05 2112 0.189E-02 0.174E-02 DAV: 4 -0.499474708604E+03 -0.15658E-07 -0.11759E-05 1472 0.923E-03 364 F= -.50478323E+03 E0= -.50478323E+03 d E =-.329601E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499474717239E+03 -0.86512E-05 -0.24847E-02 1984 0.376E-01 0.499E-02 DAV: 2 -0.499474762867E+03 -0.45628E-04 -0.51741E-04 2144 0.521E-02 0.212E-02 DAV: 3 -0.499474760032E+03 0.28351E-05 -0.94142E-06 1472 0.914E-03 365 F= -.50478344E+03 E0= -.50478344E+03 d E =-.207653E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499474283362E+03 0.47951E-03 -0.16945E-01 1792 0.981E-01 0.129E-01 DAV: 2 -0.499474587392E+03 -0.30403E-03 -0.34600E-03 2080 0.135E-01 0.557E-02 DAV: 3 -0.499474568564E+03 0.18829E-04 -0.71722E-05 2112 0.234E-02 0.309E-02 DAV: 4 -0.499474565189E+03 0.33742E-05 -0.39652E-05 2080 0.162E-02 366 F= -.50478365E+03 E0= -.50478365E+03 d E =-.421037E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499474520077E+03 0.48487E-04 -0.35679E-02 2048 0.454E-01 0.728E-02 DAV: 2 -0.499474588893E+03 -0.68817E-04 -0.77446E-04 2144 0.643E-02 0.343E-02 DAV: 3 -0.499474584719E+03 0.41745E-05 -0.19382E-05 1664 0.131E-02 367 F= -.50478390E+03 E0= -.50478390E+03 d E =-.248739E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499474240687E+03 0.34821E-03 -0.77085E-02 1792 0.667E-01 0.109E-01 DAV: 2 -0.499474383006E+03 -0.14232E-03 -0.16208E-03 2080 0.932E-02 0.521E-02 DAV: 3 -0.499474373598E+03 0.94077E-05 -0.44126E-05 2112 0.187E-02 368 F= -.50478403E+03 E0= -.50478403E+03 d E =-.375682E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499474329504E+03 0.53501E-04 -0.36209E-02 1792 0.457E-01 0.797E-02 DAV: 2 -0.499474397904E+03 -0.68400E-04 -0.76202E-04 2144 0.632E-02 0.362E-02 DAV: 3 -0.499474393120E+03 0.47838E-05 -0.14775E-05 1696 0.115E-02 369 F= -.50478424E+03 E0= -.50478424E+03 d E =-.214333E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499474104712E+03 0.29319E-03 -0.61498E-02 1856 0.595E-01 0.103E-01 DAV: 2 -0.499474219939E+03 -0.11523E-03 -0.12991E-03 2208 0.828E-02 0.468E-02 DAV: 3 -0.499474210976E+03 0.89624E-05 -0.26247E-05 1856 0.150E-02 370 F= -.50478431E+03 E0= -.50478431E+03 d E =-.286262E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499474224100E+03 -0.41610E-05 -0.21553E-02 1984 0.350E-01 0.449E-02 DAV: 2 -0.499474261393E+03 -0.37294E-04 -0.41746E-04 2080 0.473E-02 0.215E-02 DAV: 3 -0.499474260878E+03 0.51545E-06 -0.96945E-06 1632 0.880E-03 371 F= -.50478450E+03 E0= -.50478450E+03 d E =-.189976E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499473840815E+03 0.42058E-03 -0.19716E-01 1792 0.106E+00 0.133E-01 DAV: 2 -0.499474197855E+03 -0.35704E-03 -0.40008E-03 2144 0.145E-01 0.643E-02 DAV: 3 -0.499474179755E+03 0.18100E-04 -0.93397E-05 2112 0.271E-02 0.354E-02 DAV: 4 -0.499474180643E+03 -0.88748E-06 -0.58121E-05 2112 0.191E-02 372 F= -.50478484E+03 E0= -.50478484E+03 d E =-.529819E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499474331788E+03 -0.15203E-03 -0.26370E-02 1792 0.390E-01 0.952E-02 DAV: 2 -0.499474390753E+03 -0.58965E-04 -0.71470E-04 2176 0.602E-02 0.398E-02 DAV: 3 -0.499474385835E+03 0.49178E-05 -0.25451E-05 1856 0.151E-02 373 F= -.50478515E+03 E0= -.50478515E+03 d E =-.307755E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499474337963E+03 0.52790E-04 -0.18657E-02 2048 0.328E-01 0.804E-02 DAV: 2 -0.499474376586E+03 -0.38623E-04 -0.48390E-04 2176 0.498E-02 0.360E-02 DAV: 3 -0.499474373155E+03 0.34310E-05 -0.15897E-05 1760 0.120E-02 374 F= -.50478523E+03 E0= -.50478523E+03 d E =-.381924E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499474478514E+03 -0.10193E-03 -0.27821E-02 2048 0.400E-01 0.787E-02 DAV: 2 -0.499474533411E+03 -0.54896E-04 -0.65075E-04 2112 0.573E-02 0.385E-02 DAV: 3 -0.499474528229E+03 0.51813E-05 -0.19559E-05 1856 0.127E-02 375 F= -.50478540E+03 E0= -.50478540E+03 d E =-.170969E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499474514779E+03 0.18632E-04 -0.27278E-02 2048 0.397E-01 0.792E-02 DAV: 2 -0.499474565732E+03 -0.50954E-04 -0.61945E-04 2048 0.563E-02 0.396E-02 DAV: 3 -0.499474560966E+03 0.47659E-05 -0.18125E-05 1792 0.126E-02 376 F= -.50478545E+03 E0= -.50478545E+03 d E =-.219406E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499474703558E+03 -0.13783E-03 -0.25130E-02 1952 0.378E-01 0.520E-02 DAV: 2 -0.499474752250E+03 -0.48691E-04 -0.55091E-04 2208 0.529E-02 0.238E-02 DAV: 3 -0.499474749083E+03 0.31663E-05 -0.12094E-05 1888 0.993E-03 377 F= -.50478565E+03 E0= -.50478565E+03 d E =-.202370E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499474532938E+03 0.21931E-03 -0.22765E-01 1792 0.114E+00 0.155E-01 DAV: 2 -0.499474979308E+03 -0.44637E-03 -0.50166E-03 2176 0.159E-01 0.725E-02 DAV: 3 -0.499474945559E+03 0.33749E-04 -0.11634E-04 2208 0.305E-02 0.362E-02 DAV: 4 -0.499474944548E+03 0.10108E-05 -0.86126E-05 2112 0.224E-02 378 F= -.50478589E+03 E0= -.50478589E+03 d E =-.440678E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499475031048E+03 -0.85489E-04 -0.13404E-02 1984 0.275E-01 0.359E-02 DAV: 2 -0.499475059956E+03 -0.28909E-04 -0.32365E-04 2272 0.395E-02 0.196E-02 DAV: 3 -0.499475058333E+03 0.16234E-05 -0.10293E-05 1664 0.859E-03 379 F= -.50478604E+03 E0= -.50478604E+03 d E =-.150744E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499475063214E+03 -0.32575E-05 -0.11848E-01 1792 0.820E-01 0.101E-01 DAV: 2 -0.499475286343E+03 -0.22313E-03 -0.25562E-03 2144 0.113E-01 0.534E-02 DAV: 3 -0.499475274741E+03 0.11602E-04 -0.62233E-05 2176 0.210E-02 0.302E-02 DAV: 4 -0.499475274454E+03 0.28642E-06 -0.53495E-05 1920 0.177E-02 380 F= -.50478636E+03 E0= -.50478636E+03 d E =-.477777E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499474239563E+03 0.10352E-02 -0.47725E-01 1792 0.165E+00 0.202E-01 DAV: 2 -0.499475171825E+03 -0.93226E-03 -0.10577E-02 2176 0.229E-01 0.107E-01 DAV: 3 -0.499475115892E+03 0.55933E-04 -0.25701E-04 2176 0.432E-02 0.608E-02 DAV: 4 -0.499475113195E+03 0.26963E-05 -0.22032E-04 2080 0.356E-02 0.222E-02 DAV: 5 -0.499475110592E+03 0.26037E-05 -0.50114E-05 2208 0.185E-02 381 F= -.50478642E+03 E0= -.50478642E+03 d E =-.535905E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499475095273E+03 0.17922E-04 -0.11010E-01 1792 0.791E-01 0.942E-02 DAV: 2 -0.499475305985E+03 -0.21071E-03 -0.23846E-03 2176 0.109E-01 0.513E-02 DAV: 3 -0.499475295300E+03 0.10684E-04 -0.57779E-05 2112 0.202E-02 0.292E-02 DAV: 4 -0.499475296365E+03 -0.10643E-05 -0.51405E-05 1952 0.173E-02 382 F= -.50478650E+03 E0= -.50478650E+03 d E =-.614979E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499475434807E+03 -0.13951E-03 -0.38060E-02 2048 0.466E-01 0.842E-02 DAV: 2 -0.499475510840E+03 -0.76032E-04 -0.86770E-04 2016 0.655E-02 0.318E-02 DAV: 3 -0.499475504582E+03 0.62577E-05 -0.20915E-05 1920 0.132E-02 383 F= -.50478679E+03 E0= -.50478679E+03 d E =-.287847E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499475469416E+03 0.41423E-04 -0.49937E-02 2048 0.533E-01 0.988E-02 DAV: 2 -0.499475565673E+03 -0.96257E-04 -0.11518E-03 2240 0.751E-02 0.393E-02 DAV: 3 -0.499475556133E+03 0.95397E-05 -0.34601E-05 2272 0.164E-02 384 F= -.50478693E+03 E0= -.50478693E+03 d E =-.430883E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499475529166E+03 0.36507E-04 -0.40448E-03 2176 0.152E-01 0.310E-02 DAV: 2 -0.499475535719E+03 -0.65535E-05 -0.88064E-05 2272 0.211E-02 385 F= -.50478694E+03 E0= -.50478694E+03 d E =-.436894E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499475622458E+03 -0.93292E-04 -0.39677E-02 1792 0.471E-01 0.674E-02 DAV: 2 -0.499475699003E+03 -0.76546E-04 -0.88335E-04 2144 0.665E-02 0.339E-02 DAV: 3 -0.499475692942E+03 0.60617E-05 -0.23093E-05 1888 0.137E-02 386 F= -.50478719E+03 E0= -.50478719E+03 d E =-.255515E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499475404729E+03 0.29427E-03 -0.16065E-01 1792 0.947E-01 0.136E-01 DAV: 2 -0.499475713238E+03 -0.30851E-03 -0.36210E-03 2240 0.135E-01 0.676E-02 DAV: 3 -0.499475689062E+03 0.24176E-04 -0.10372E-04 2208 0.280E-02 0.354E-02 DAV: 4 -0.499475686731E+03 0.23304E-05 -0.50569E-05 2144 0.178E-02 387 F= -.50478739E+03 E0= -.50478739E+03 d E =-.447533E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499475755049E+03 -0.65987E-04 -0.41323E-02 1920 0.479E-01 0.581E-02 DAV: 2 -0.499475837577E+03 -0.82528E-04 -0.92381E-04 2176 0.673E-02 0.313E-02 DAV: 3 -0.499475832779E+03 0.47984E-05 -0.26961E-05 2112 0.143E-02 388 F= -.50478767E+03 E0= -.50478767E+03 d E =-.282487E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499475160889E+03 0.67669E-03 -0.37013E-01 1792 0.143E+00 0.173E-01 DAV: 2 -0.499475852570E+03 -0.69168E-03 -0.79906E-03 2176 0.200E-01 0.937E-02 DAV: 3 -0.499475808663E+03 0.43907E-04 -0.21914E-04 2208 0.403E-02 0.523E-02 DAV: 4 -0.499475805862E+03 0.28006E-05 -0.12927E-04 2144 0.276E-02 0.210E-02 DAV: 5 -0.499475806053E+03 -0.19132E-06 -0.27710E-05 1920 0.165E-02 389 F= -.50478805E+03 E0= -.50478805E+03 d E =-.665049E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499475823624E+03 -0.17762E-04 -0.91608E-02 1792 0.719E-01 0.143E-01 DAV: 2 -0.499476017224E+03 -0.19360E-03 -0.21318E-03 2112 0.101E-01 0.494E-02 DAV: 3 -0.499476002005E+03 0.15219E-04 -0.54971E-05 2144 0.209E-02 0.232E-02 DAV: 4 -0.499476002279E+03 -0.27448E-06 -0.25572E-05 2112 0.124E-02 390 F= -.50478840E+03 E0= -.50478840E+03 d E =-.351571E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499475941838E+03 0.60167E-04 -0.22410E-02 1920 0.355E-01 0.719E-02 DAV: 2 -0.499475990358E+03 -0.48520E-04 -0.53435E-04 2240 0.503E-02 0.260E-02 DAV: 3 -0.499475986620E+03 0.37382E-05 -0.17477E-05 1920 0.117E-02 391 F= -.50478846E+03 E0= -.50478846E+03 d E =-.412534E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499476139799E+03 -0.14944E-03 -0.30199E-02 1856 0.411E-01 0.564E-02 DAV: 2 -0.499476195603E+03 -0.55805E-04 -0.64843E-04 2272 0.571E-02 0.284E-02 DAV: 3 -0.499476191753E+03 0.38500E-05 -0.14960E-05 1856 0.110E-02 392 F= -.50478868E+03 E0= -.50478868E+03 d E =-.213623E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499476185302E+03 0.10301E-04 -0.75692E-02 1792 0.651E-01 0.890E-02 DAV: 2 -0.499476320760E+03 -0.13546E-03 -0.15899E-03 2208 0.898E-02 0.457E-02 DAV: 3 -0.499476310606E+03 0.10154E-04 -0.37763E-05 2176 0.170E-02 0.265E-02 DAV: 4 -0.499476309716E+03 0.89013E-06 -0.29417E-05 2144 0.139E-02 393 F= -.50478881E+03 E0= -.50478881E+03 d E =-.345300E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499476422245E+03 -0.11164E-03 -0.17630E-02 1952 0.312E-01 0.366E-02 DAV: 2 -0.499476457200E+03 -0.34955E-04 -0.38193E-04 2144 0.434E-02 0.211E-02 DAV: 3 -0.499476456323E+03 0.87657E-06 -0.88750E-06 1664 0.846E-03 394 F= -.50478897E+03 E0= -.50478897E+03 d E =-.156723E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499476429347E+03 0.27853E-04 -0.15723E-01 1792 0.933E-01 0.107E-01 DAV: 2 -0.499476716410E+03 -0.28706E-03 -0.32102E-03 2080 0.127E-01 0.612E-02 DAV: 3 -0.499476703678E+03 0.12731E-04 -0.71214E-05 2176 0.230E-02 0.366E-02 DAV: 4 -0.499476703833E+03 -0.15419E-06 -0.53297E-05 2176 0.181E-02 395 F= -.50478924E+03 E0= -.50478924E+03 d E =-.435106E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499476830779E+03 -0.12710E-03 -0.10657E-02 2048 0.250E-01 0.587E-02 DAV: 2 -0.499476856007E+03 -0.25228E-04 -0.30361E-04 2112 0.399E-02 0.260E-02 DAV: 3 -0.499476853636E+03 0.23718E-05 -0.14699E-05 1664 0.118E-02 396 F= -.50478943E+03 E0= -.50478943E+03 d E =-.186873E-03