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0.435E-03 DAV: 11 -0.999790754610E+03 -0.68102E-04 -0.70657E-06 1568 0.978E-03 0.257E-03 DAV: 12 -0.999790798186E+03 -0.43577E-04 -0.83742E-06 1504 0.902E-03 0.198E-03 DAV: 13 -0.999790812870E+03 -0.14684E-04 -0.43348E-06 1504 0.438E-03 0.295E-03 DAV: 14 -0.999790816006E+03 -0.31357E-05 0.62299E-07 1536 0.141E-03 43 F= -.10092683E+04 E0= -.10092683E+04 d E =-.188271E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.999762506782E+03 0.28306E-01 -0.96591E+01 1792 0.159E+01 0.239E+00 DAV: 2 -0.999940615138E+03 -0.17811E+00 -0.19920E+00 2112 0.214E+00 0.123E+00 DAV: 3 -0.999927324351E+03 0.13291E-01 -0.34817E-02 2176 0.359E-01 0.721E-01 DAV: 4 -0.999923059369E+03 0.42650E-02 -0.23735E-02 2112 0.304E-01 0.224E-01 DAV: 5 -0.999923284172E+03 -0.22480E-03 -0.46879E-03 2112 0.142E-01 0.104E-01 DAV: 6 -0.999923480900E+03 -0.19673E-03 -0.81994E-04 2080 0.483E-02 0.619E-02 DAV: 7 -0.999923690850E+03 -0.20995E-03 -0.10168E-04 2112 0.256E-02 0.254E-02 DAV: 8 -0.999923918602E+03 -0.22775E-03 -0.61974E-05 2112 0.182E-02 0.119E-02 DAV: 9 -0.999924044019E+03 -0.12542E-03 -0.22173E-05 1920 0.103E-02 0.739E-03 DAV: 10 -0.999924204017E+03 -0.16000E-03 -0.79974E-06 1568 0.731E-03 0.440E-03 DAV: 11 -0.999924372733E+03 -0.16872E-03 -0.19557E-05 1792 0.990E-03 0.339E-03 DAV: 12 -0.999924444706E+03 -0.71972E-04 -0.97050E-06 1600 0.648E-03 0.294E-03 DAV: 13 -0.999924486531E+03 -0.41825E-04 -0.13321E-06 1440 0.302E-03 0.268E-03 DAV: 14 -0.999924514678E+03 -0.28147E-04 -0.28168E-07 1504 0.167E-03 0.174E-03 DAV: 15 -0.999924532568E+03 -0.17889E-04 0.15596E-07 1440 0.141E-03 0.908E-04 DAV: 16 -0.999924538138E+03 -0.55710E-05 0.11058E-06 1440 0.731E-04 44 F= -.10094210E+04 E0= -.10094210E+04 d E =-.152778E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.999900163389E+03 0.24369E-01 -0.19035E+01 1792 0.709E+00 0.106E+00 DAV: 2 -0.999934601986E+03 -0.34439E-01 -0.38521E-01 2112 0.945E-01 0.538E-01 DAV: 3 -0.999931969404E+03 0.26326E-02 -0.65535E-03 2176 0.157E-01 0.305E-01 DAV: 4 -0.999931141693E+03 0.82771E-03 -0.45462E-03 2176 0.132E-01 0.930E-02 DAV: 5 -0.999931179806E+03 -0.38113E-04 -0.87108E-04 2112 0.612E-02 0.448E-02 DAV: 6 -0.999931222426E+03 -0.42620E-04 -0.15472E-04 2112 0.211E-02 0.265E-02 DAV: 7 -0.999931276299E+03 -0.53873E-04 -0.14943E-05 1824 0.109E-02 0.114E-02 DAV: 8 -0.999931341936E+03 -0.65638E-04 -0.11718E-05 1568 0.851E-03 0.484E-03 DAV: 9 -0.999931384919E+03 -0.42983E-04 -0.41285E-06 1536 0.503E-03 0.307E-03 DAV: 10 -0.999931438415E+03 -0.53496E-04 -0.18920E-06 1504 0.405E-03 0.193E-03 DAV: 11 -0.999931485299E+03 -0.46884E-04 -0.29330E-06 1504 0.416E-03 0.138E-03 DAV: 12 -0.999931510517E+03 -0.25218E-04 -0.10745E-06 1504 0.278E-03 0.109E-03 DAV: 13 -0.999931519099E+03 -0.85829E-05 0.73814E-07 1504 0.117E-03 45 F= -.10094367E+04 E0= -.10094367E+04 d E =-.168478E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.999902654782E+03 0.28856E-01 -0.75807E+01 1792 0.141E+01 0.220E+00 DAV: 2 -0.100004585992E+04 -0.14321E+00 -0.15731E+00 2112 0.189E+00 0.121E+00 DAV: 3 -0.100003680135E+04 0.90586E-02 -0.24800E-02 2240 0.305E-01 0.761E-01 DAV: 4 -0.100003331870E+04 0.34827E-02 -0.20043E-02 2144 0.282E-01 0.210E-01 DAV: 5 -0.100003339962E+04 -0.80918E-04 -0.42382E-03 2144 0.137E-01 0.103E-01 DAV: 6 -0.100003352136E+04 -0.12174E-03 -0.81514E-04 2112 0.486E-02 0.605E-02 DAV: 7 -0.100003359759E+04 -0.76234E-04 -0.84024E-05 2112 0.257E-02 0.315E-02 DAV: 8 -0.100003371782E+04 -0.12023E-03 -0.55065E-05 2112 0.202E-02 0.132E-02 DAV: 9 -0.100003377121E+04 -0.53397E-04 -0.29559E-05 2144 0.116E-02 0.639E-03 DAV: 10 -0.100003381344E+04 -0.42222E-04 -0.15043E-06 1536 0.462E-03 0.457E-03 DAV: 11 -0.100003390330E+04 -0.89865E-04 -0.92549E-06 1600 0.104E-02 0.285E-03 DAV: 12 -0.100003394143E+04 -0.38124E-04 -0.63597E-06 1504 0.686E-03 0.190E-03 DAV: 13 -0.100003396528E+04 -0.23851E-04 -0.33524E-06 1472 0.453E-03 0.159E-03 DAV: 14 -0.100003397358E+04 -0.83027E-05 0.34407E-07 1536 0.166E-03 46 F= -.10095598E+04 E0= -.10095598E+04 d E =-.123041E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.100001096688E+04 0.22998E-01 -0.16027E+01 1792 0.651E+00 0.101E+00 DAV: 2 -0.100004056691E+04 -0.29600E-01 -0.32564E-01 2080 0.868E-01 0.556E-01 DAV: 3 -0.100003867521E+04 0.18917E-02 -0.50501E-03 2176 0.138E-01 0.347E-01 DAV: 4 -0.100003794980E+04 0.72541E-03 -0.42033E-03 2080 0.130E-01 0.919E-02 DAV: 5 -0.100003796912E+04 -0.19322E-04 -0.89461E-04 2176 0.622E-02 0.477E-02 DAV: 6 -0.100003799551E+04 -0.26389E-04 -0.17018E-04 2112 0.221E-02 0.277E-02 DAV: 7 -0.100003801710E+04 -0.21592E-04 -0.15218E-05 1760 0.119E-02 0.147E-02 DAV: 8 -0.100003805230E+04 -0.35203E-04 -0.11997E-05 1696 0.977E-03 0.616E-03 DAV: 9 -0.100003806840E+04 -0.16100E-04 -0.50735E-06 1536 0.550E-03 0.292E-03 DAV: 10 -0.100003808363E+04 -0.15224E-04 -0.20410E-07 1472 0.286E-03 0.208E-03 DAV: 11 -0.100003810896E+04 -0.25330E-04 -0.63053E-07 1472 0.425E-03 0.138E-03 DAV: 12 -0.100003812559E+04 -0.16634E-04 -0.98331E-07 1472 0.402E-03 0.936E-04 DAV: 13 -0.100003813311E+04 -0.75154E-05 0.45414E-08 1472 0.215E-03 47 F= -.10095736E+04 E0= -.10095736E+04 d E =-.136844E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.100000163577E+04 0.36490E-01 -0.84587E+01 1792 0.149E+01 0.218E+00 DAV: 2 -0.100015887925E+04 -0.15724E+00 -0.17392E+00 2112 0.200E+00 0.113E+00 DAV: 3 -0.100014760855E+04 0.11271E-01 -0.27688E-02 2208 0.329E-01 0.647E-01 DAV: 4 -0.100014419070E+04 0.34179E-02 -0.22955E-02 2144 0.289E-01 0.186E-01 DAV: 5 -0.100014430702E+04 -0.11633E-03 -0.43882E-03 2176 0.133E-01 0.100E-01 DAV: 6 -0.100014443415E+04 -0.12712E-03 -0.83429E-04 2144 0.481E-02 0.572E-02 DAV: 7 -0.100014451199E+04 -0.77839E-04 -0.69733E-05 2176 0.221E-02 0.315E-02 DAV: 8 -0.100014465105E+04 -0.13907E-03 -0.53892E-05 2112 0.172E-02 0.113E-02 DAV: 9 -0.100014471377E+04 -0.62720E-04 -0.14960E-05 1728 0.929E-03 0.587E-03 DAV: 10 -0.100014478300E+04 -0.69225E-04 -0.55470E-06 1536 0.613E-03 0.406E-03 DAV: 11 -0.100014486249E+04 -0.79492E-04 -0.56371E-06 1536 0.720E-03 0.280E-03 DAV: 12 -0.100014491717E+04 -0.54686E-04 -0.60454E-06 1472 0.634E-03 0.137E-03 DAV: 13 -0.100014494038E+04 -0.23207E-04 -0.18663E-06 1504 0.310E-03 0.162E-03 DAV: 14 -0.100014494969E+04 -0.93049E-05 0.63060E-07 1504 0.125E-03 48 F= -.10097008E+04 E0= -.10097008E+04 d E =-.127200E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.100010423423E+04 0.40706E-01 -0.28901E+01 1792 0.875E+00 0.128E+00 DAV: 2 -0.100015702193E+04 -0.52788E-01 -0.58612E-01 2112 0.117E+00 0.661E-01 DAV: 3 -0.100015321637E+04 0.38056E-02 -0.92088E-03 2176 0.191E-01 0.382E-01 DAV: 4 -0.100015204090E+04 0.11755E-02 -0.77970E-03 2080 0.168E-01 0.108E-01 DAV: 5 -0.100015208112E+04 -0.40217E-04 -0.14853E-03 2176 0.773E-02 0.592E-02 DAV: 6 -0.100015212768E+04 -0.46560E-04 -0.29622E-04 2080 0.287E-02 0.334E-02 DAV: 7 -0.100015216068E+04 -0.33003E-04 -0.23494E-05 1984 0.133E-02 0.182E-02 DAV: 8 -0.100015221997E+04 -0.59294E-04 -0.18205E-05 1792 0.104E-02 0.646E-03 DAV: 9 -0.100015224713E+04 -0.27159E-04 -0.43770E-06 1536 0.539E-03 0.354E-03 DAV: 10 -0.100015228072E+04 -0.33585E-04 -0.16026E-06 1472 0.398E-03 0.235E-03 DAV: 11 -0.100015231818E+04 -0.37465E-04 -0.16277E-06 1440 0.444E-03 0.189E-03 DAV: 12 -0.100015234386E+04 -0.25678E-04 -0.16242E-06 1440 0.387E-03 0.871E-04 DAV: 13 -0.100015235444E+04 -0.10578E-04 0.21394E-07 1536 0.183E-03 0.986E-04 DAV: 14 -0.100015235953E+04 -0.50903E-05 0.10341E-06 1472 0.800E-04 49 F= -.10097203E+04 E0= -.10097203E+04 d E =-.146741E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.100008278499E+04 0.69569E-01 -0.97697E+01 1792 0.161E+01 0.243E+00 DAV: 2 -0.100026602815E+04 -0.18324E+00 -0.20272E+00 2144 0.216E+00 0.122E+00 DAV: 3 -0.100025282432E+04 0.13204E-01 -0.35435E-02 2208 0.368E-01 0.673E-01 DAV: 4 -0.100024909297E+04 0.37314E-02 -0.21806E-02 2144 0.279E-01 0.202E-01 DAV: 5 -0.100024930504E+04 -0.21207E-03 -0.41428E-03 2144 0.129E-01 0.977E-02 DAV: 6 -0.100024942323E+04 -0.11820E-03 -0.62878E-04 2144 0.428E-02 0.542E-02 DAV: 7 -0.100024952432E+04 -0.10108E-03 -0.69691E-05 2144 0.206E-02 0.237E-02 DAV: 8 -0.100024965447E+04 -0.13016E-03 -0.48163E-05 2176 0.148E-02 0.853E-03 DAV: 9 -0.100024974636E+04 -0.91885E-04 -0.12593E-05 1600 0.828E-03 0.515E-03 DAV: 10 -0.100024984532E+04 -0.98964E-04 -0.49118E-06 1600 0.575E-03 0.357E-03 DAV: 11 -0.100024993572E+04 -0.90403E-04 -0.77621E-06 1568 0.601E-03 0.185E-03 DAV: 12 -0.100024998980E+04 -0.54075E-04 -0.37046E-06 1472 0.412E-03 0.150E-03 DAV: 13 -0.100025001393E+04 -0.24134E-04 -0.41628E-07 1472 0.183E-03 0.133E-03 DAV: 14 -0.100025003336E+04 -0.19432E-04 0.15743E-07 1440 0.130E-03 0.592E-04 DAV: 15 -0.100025004395E+04 -0.10586E-04 0.64142E-07 1504 0.917E-04 0.488E-04 DAV: 16 -0.100025004948E+04 -0.55304E-05 0.10914E-06 1504 0.656E-04 50 F= -.10098392E+04 E0= -.10098392E+04 d E =-.118899E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.100024019677E+04 0.98472E-02 -0.55642E+00 1792 0.385E+00 0.576E-01 DAV: 2 -0.100025037620E+04 -0.10179E-01 -0.11349E-01 2144 0.514E-01 0.290E-01 DAV: 3 -0.100024964598E+04 0.73023E-03 -0.19259E-03 2144 0.858E-02 0.163E-01 DAV: 4 -0.100024943403E+04 0.21195E-03 -0.13206E-03 2112 0.687E-02 0.486E-02 DAV: 5 -0.100024944229E+04 -0.82566E-05 -0.23986E-04 2176 0.309E-02 0.250E-02 DAV: 6 -0.100024944845E+04 -0.61585E-05 -0.42281E-05 2048 0.112E-02 51 F= -.10098437E+04 E0= -.10098437E+04 d E =-.123364E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.100021586369E+04 0.33579E-01 -0.72960E+01 1792 0.140E+01 0.240E+00 DAV: 2 -0.100035493244E+04 -0.13907E+00 -0.15289E+00 2112 0.189E+00 0.121E+00 DAV: 3 -0.100034524746E+04 0.96850E-02 -0.25903E-02 2240 0.320E-01 0.690E-01 DAV: 4 -0.100034277992E+04 0.24675E-02 -0.18997E-02 2112 0.265E-01 0.213E-01 DAV: 5 -0.100034291117E+04 -0.13125E-03 -0.34484E-03 2176 0.128E-01 0.969E-02 DAV: 6 -0.100034303959E+04 -0.12843E-03 -0.64287E-04 2112 0.430E-02 0.516E-02 DAV: 7 -0.100034312356E+04 -0.83969E-04 -0.65291E-05 2112 0.230E-02 0.230E-02 DAV: 8 -0.100034322570E+04 -0.10214E-03 -0.41724E-05 2048 0.170E-02 0.874E-03 DAV: 9 -0.100034328729E+04 -0.61584E-04 -0.15180E-05 1568 0.998E-03 0.552E-03 DAV: 10 -0.100034334645E+04 -0.59165E-04 -0.35221E-06 1504 0.671E-03 0.341E-03 DAV: 11 -0.100034340483E+04 -0.58376E-04 -0.53796E-06 1472 0.772E-03 0.190E-03 DAV: 12 -0.100034343225E+04 -0.27426E-04 -0.47784E-06 1472 0.498E-03 0.165E-03 DAV: 13 -0.100034345022E+04 -0.17971E-04 -0.25713E-07 1472 0.280E-03 0.112E-03 DAV: 14 -0.100034346062E+04 -0.10397E-04 0.23501E-07 1408 0.158E-03 0.676E-04 DAV: 15 -0.100034346609E+04 -0.54647E-05 0.94235E-07 1504 0.849E-04 52 F= -.10099567E+04 E0= -.10099567E+04 d E =-.113048E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.100033100785E+04 0.12453E-01 -0.80849E+00 1856 0.467E+00 0.797E-01 DAV: 2 -0.100034624095E+04 -0.15233E-01 -0.16803E-01 2144 0.630E-01 0.407E-01 DAV: 3 -0.100034518262E+04 0.10583E-02 -0.27730E-03 2144 0.105E-01 0.236E-01 DAV: 4 -0.100034490219E+04 0.28044E-03 -0.22336E-03 2144 0.914E-02 0.726E-02 DAV: 5 -0.100034491024E+04 -0.80571E-05 -0.40537E-04 2208 0.436E-02 0.342E-02 DAV: 6 -0.100034492391E+04 -0.13666E-04 -0.80302E-05 2080 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-0.54532E-05 2144 0.221E-02 0.101E-02 DAV: 9 -0.100042875689E+04 -0.10885E-03 -0.31358E-05 1984 0.136E-02 0.695E-03 DAV: 10 -0.100042884366E+04 -0.86772E-04 -0.39239E-06 1568 0.777E-03 0.436E-03 DAV: 11 -0.100042896202E+04 -0.11836E-03 -0.12836E-05 1696 0.107E-02 0.272E-03 DAV: 12 -0.100042899801E+04 -0.35989E-04 -0.60508E-06 1536 0.497E-03 0.202E-03 DAV: 13 -0.100042903326E+04 -0.35248E-04 -0.99055E-07 1504 0.284E-03 0.128E-03 DAV: 14 -0.100042905839E+04 -0.25130E-04 -0.24581E-07 1536 0.175E-03 0.888E-04 DAV: 15 -0.100042907165E+04 -0.13261E-04 0.68860E-07 1504 0.114E-03 0.531E-04 DAV: 16 -0.100042908030E+04 -0.86552E-05 0.88267E-07 1440 0.860E-04 54 F= -.10100664E+04 E0= -.10100664E+04 d E =-.101932E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.100041639996E+04 0.12672E-01 -0.88905E+00 1792 0.488E+00 0.759E-01 DAV: 2 -0.100043235974E+04 -0.15960E-01 -0.17784E-01 2080 0.644E-01 0.399E-01 DAV: 3 -0.100043112627E+04 0.12335E-02 -0.30429E-03 2144 0.106E-01 0.227E-01 DAV: 4 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0.907E-01 DAV: 3 -0.100049764037E+04 0.59749E-02 -0.18217E-02 2208 0.262E-01 0.471E-01 DAV: 4 -0.100049626599E+04 0.13744E-02 -0.94580E-03 2080 0.186E-01 0.129E-01 DAV: 5 -0.100049635870E+04 -0.92709E-04 -0.17513E-03 2176 0.865E-02 0.694E-02 DAV: 6 -0.100049639804E+04 -0.39343E-04 -0.32920E-04 2112 0.339E-02 0.395E-02 DAV: 7 -0.100049642829E+04 -0.30249E-04 -0.32985E-05 2080 0.179E-02 0.193E-02 DAV: 8 -0.100049648345E+04 -0.55164E-04 -0.25530E-05 2048 0.163E-02 0.729E-03 DAV: 9 -0.100049652051E+04 -0.37061E-04 -0.12381E-05 1536 0.944E-03 0.483E-03 DAV: 10 -0.100049655733E+04 -0.36819E-04 -0.25275E-06 1440 0.666E-03 0.319E-03 DAV: 11 -0.100049660838E+04 -0.51048E-04 -0.51367E-06 1536 0.943E-03 0.210E-03 DAV: 12 -0.100049663356E+04 -0.25182E-04 -0.58297E-06 1472 0.571E-03 0.147E-03 DAV: 13 -0.100049664382E+04 -0.10258E-04 -0.35842E-07 1504 0.241E-03 0.159E-03 DAV: 14 -0.100049664889E+04 -0.50650E-05 0.93285E-07 1472 0.949E-04 56 F= -.10101537E+04 E0= -.10101537E+04 d E =-.788994E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.100049126465E+04 0.53792E-02 -0.34697E+00 1920 0.305E+00 0.553E-01 DAV: 2 -0.100049755281E+04 -0.62882E-02 -0.70651E-02 2080 0.411E-01 0.255E-01 DAV: 3 -0.100049708336E+04 0.46945E-03 -0.14282E-03 2144 0.731E-02 0.131E-01 DAV: 4 -0.100049697744E+04 0.10593E-03 -0.75607E-04 2112 0.520E-02 0.361E-02 DAV: 5 -0.100049698380E+04 -0.63664E-05 -0.13297E-04 2144 0.240E-02 0.199E-02 DAV: 6 -0.100049698818E+04 -0.43805E-05 -0.26699E-05 1984 0.996E-03 57 F= -.10101577E+04 E0= -.10101577E+04 d E =-.828881E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.100048890924E+04 0.80746E-02 -0.47942E+01 1792 0.113E+01 0.172E+00 DAV: 2 -0.100057544006E+04 -0.86531E-01 -0.95837E-01 2144 0.150E+00 0.100E+00 DAV: 3 -0.100056976007E+04 0.56800E-02 -0.17969E-02 2240 0.253E-01 0.573E-01 DAV: 4 -0.100056837016E+04 0.13899E-02 -0.12333E-02 2112 0.209E-01 0.135E-01 DAV: 5 -0.100056852642E+04 -0.15627E-03 -0.23758E-03 2144 0.909E-02 0.816E-02 DAV: 6 -0.100056858771E+04 -0.61283E-04 -0.43445E-04 2144 0.347E-02 0.449E-02 DAV: 7 -0.100056862154E+04 -0.33839E-04 -0.48713E-05 2112 0.169E-02 0.220E-02 DAV: 8 -0.100056868993E+04 -0.68384E-04 -0.40135E-05 2112 0.126E-02 0.818E-03 DAV: 9 -0.100056871887E+04 -0.28942E-04 -0.48579E-06 1504 0.586E-03 0.447E-03 DAV: 10 -0.100056876593E+04 -0.47055E-04 -0.44414E-06 1504 0.518E-03 0.314E-03 DAV: 11 -0.100056880558E+04 -0.39659E-04 -0.29238E-06 1472 0.492E-03 0.278E-03 DAV: 12 -0.100056883018E+04 -0.24593E-04 -0.17847E-06 1440 0.386E-03 0.123E-03 DAV: 13 -0.100056884535E+04 -0.15176E-04 -0.21042E-07 1408 0.217E-03 0.121E-03 DAV: 14 -0.100056885295E+04 -0.75977E-05 0.77539E-07 1536 0.109E-03 58 F= -.10102419E+04 E0= -.10102419E+04 d E =-.841988E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.100055894767E+04 0.98977E-02 -0.74806E+00 1792 0.445E+00 0.685E-01 DAV: 2 -0.100057234781E+04 -0.13400E-01 -0.14894E-01 2144 0.593E-01 0.393E-01 DAV: 3 -0.100057144757E+04 0.90024E-03 -0.27289E-03 2176 0.994E-02 0.221E-01 DAV: 4 -0.100057123712E+04 0.21045E-03 -0.19329E-03 2048 0.827E-02 0.521E-02 DAV: 5 -0.100057125707E+04 -0.19950E-04 -0.35819E-04 2176 0.353E-02 0.323E-02 DAV: 6 -0.100057126498E+04 -0.79063E-05 -0.68091E-05 2112 0.139E-02 59 F= -.10102492E+04 E0= -.10102492E+04 d E =-.914481E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.100056538403E+04 0.58730E-02 -0.43867E+01 1792 0.108E+01 0.173E+00 DAV: 2 -0.100064366748E+04 -0.78283E-01 -0.85469E-01 2144 0.143E+00 0.840E-01 DAV: 3 -0.100063794128E+04 0.57262E-02 -0.15538E-02 2208 0.243E-01 0.459E-01 DAV: 4 -0.100063680499E+04 0.11363E-02 -0.11083E-02 2112 0.195E-01 0.122E-01 DAV: 5 -0.100063694582E+04 -0.14083E-03 -0.20326E-03 2144 0.905E-02 0.680E-02 DAV: 6 -0.100063705441E+04 -0.10858E-03 -0.33356E-04 2112 0.304E-02 0.389E-02 DAV: 7 -0.100063714985E+04 -0.95447E-04 -0.38056E-05 2144 0.171E-02 0.193E-02 DAV: 8 -0.100063727501E+04 -0.12516E-03 -0.33240E-05 2080 0.144E-02 0.861E-03 DAV: 9 -0.100063734653E+04 -0.71517E-04 -0.12385E-05 1696 0.867E-03 0.489E-03 DAV: 10 -0.100063741877E+04 -0.72239E-04 -0.45689E-06 1536 0.561E-03 0.362E-03 DAV: 11 -0.100063750526E+04 -0.86490E-04 -0.76342E-06 1728 0.676E-03 0.243E-03 DAV: 12 -0.100063755207E+04 -0.46814E-04 -0.40934E-06 1504 0.476E-03 0.147E-03 DAV: 13 -0.100063756817E+04 -0.16096E-04 -0.21823E-07 1536 0.194E-03 0.180E-03 DAV: 14 -0.100063757675E+04 -0.85811E-05 0.92282E-07 1504 0.889E-04 60 F= -.10103280E+04 E0= -.10103280E+04 d E =-.788910E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.100062958489E+04 0.79833E-02 -0.57933E+00 1856 0.393E+00 0.628E-01 DAV: 2 -0.100063981431E+04 -0.10229E-01 -0.11205E-01 2112 0.519E-01 0.305E-01 DAV: 3 -0.100063905207E+04 0.76224E-03 -0.20266E-03 2176 0.882E-02 0.166E-01 DAV: 4 -0.100063889076E+04 0.16131E-03 -0.14758E-03 2112 0.710E-02 0.442E-02 DAV: 5 -0.100063890229E+04 -0.11527E-04 -0.26616E-04 2208 0.330E-02 0.252E-02 DAV: 6 -0.100063891549E+04 -0.13202E-04 -0.47047E-05 2048 0.115E-02 0.142E-02 DAV: 7 -0.100063892920E+04 -0.13716E-04 -0.28767E-06 1536 0.617E-03 0.738E-03 DAV: 8 -0.100063895115E+04 -0.21942E-04 -0.48112E-06 1504 0.593E-03 0.351E-03 DAV: 9 -0.100063896419E+04 -0.13048E-04 -0.84385E-07 1536 0.349E-03 0.182E-03 DAV: 10 -0.100063897584E+04 -0.11649E-04 0.29477E-07 1504 0.211E-03 0.150E-03 DAV: 11 -0.100063899216E+04 -0.16320E-04 0.35679E-07 1536 0.227E-03 0.102E-03 DAV: 12 -0.100063900294E+04 -0.10775E-04 0.54403E-07 1504 0.179E-03 0.544E-04 DAV: 13 -0.100063900807E+04 -0.51334E-05 0.10650E-06 1504 0.922E-04 61 F= -.10103340E+04 E0= -.10103340E+04 d E =-.848876E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.100064942637E+04 -0.10423E-01 -0.33262E+01 1792 0.947E+00 0.167E+00 DAV: 2 -0.100070847053E+04 -0.59044E-01 -0.65053E-01 2144 0.126E+00 0.846E-01 DAV: 3 -0.100070429521E+04 0.41753E-02 -0.12522E-02 2176 0.226E-01 0.438E-01 DAV: 4 -0.100070353152E+04 0.76370E-03 -0.76984E-03 2144 0.166E-01 0.124E-01 DAV: 5 -0.100070359180E+04 -0.60279E-04 -0.14278E-03 2176 0.823E-02 0.630E-02 DAV: 6 -0.100070364938E+04 -0.57580E-04 -0.30109E-04 2112 0.314E-02 0.368E-02 DAV: 7 -0.100070369513E+04 -0.45755E-04 -0.31627E-05 2080 0.161E-02 0.177E-02 DAV: 8 -0.100070376677E+04 -0.71643E-04 -0.21137E-05 1984 0.151E-02 0.719E-03 DAV: 9 -0.100070380703E+04 -0.40257E-04 -0.11056E-05 1536 0.916E-03 0.509E-03 DAV: 10 -0.100070385153E+04 -0.44498E-04 -0.36107E-06 1472 0.697E-03 0.314E-03 DAV: 11 -0.100070390668E+04 -0.55154E-04 -0.53848E-06 1568 0.899E-03 0.220E-03 DAV: 12 -0.100070393341E+04 -0.26727E-04 -0.54142E-06 1504 0.542E-03 0.174E-03 DAV: 13 -0.100070394140E+04 -0.79853E-05 -0.53215E-08 1568 0.196E-03 62 F= -.10104091E+04 E0= -.10104091E+04 d E =-.750529E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.100068660339E+04 0.17330E-01 -0.15598E+01 1792 0.648E+00 0.113E+00 DAV: 2 -0.100071422441E+04 -0.27621E-01 -0.30540E-01 2112 0.862E-01 0.581E-01 DAV: 3 -0.100071226876E+04 0.19556E-02 -0.58141E-03 2176 0.154E-01 0.302E-01 DAV: 4 -0.100071189046E+04 0.37830E-03 -0.37048E-03 2112 0.116E-01 0.832E-02 DAV: 5 -0.100071191409E+04 -0.23634E-04 -0.68430E-04 2208 0.568E-02 0.445E-02 DAV: 6 -0.100071194319E+04 -0.29100E-04 -0.15573E-04 2080 0.227E-02 0.255E-02 DAV: 7 -0.100071196778E+04 -0.24591E-04 -0.13667E-05 1920 0.114E-02 0.128E-02 DAV: 8 -0.100071200948E+04 -0.41696E-04 -0.10976E-05 1568 0.109E-02 0.510E-03 DAV: 9 -0.100071203463E+04 -0.25150E-04 -0.61214E-06 1472 0.677E-03 0.372E-03 DAV: 10 -0.100071205896E+04 -0.24327E-04 -0.13972E-06 1504 0.477E-03 0.240E-03 DAV: 11 -0.100071209332E+04 -0.34366E-04 -0.21101E-06 1472 0.631E-03 0.161E-03 DAV: 12 -0.100071210808E+04 -0.14762E-04 -0.20333E-06 1504 0.366E-03 0.128E-03 DAV: 13 -0.100071211449E+04 -0.64078E-05 0.56738E-07 1536 0.156E-03 63 F= -.10104242E+04 E0= -.10104242E+04 d E =-.901548E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.100070821297E+04 0.38951E-02 -0.40493E+01 1792 0.104E+01 0.173E+00 DAV: 2 -0.100078032277E+04 -0.72110E-01 -0.78962E-01 2144 0.138E+00 0.849E-01 DAV: 3 -0.100077507942E+04 0.52433E-02 -0.13947E-02 2176 0.235E-01 0.476E-01 DAV: 4 -0.100077383270E+04 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E0= -.10104974E+04 d E =-.732054E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.100076298815E+04 0.11523E-01 -0.89482E+00 1792 0.491E+00 0.809E-01 DAV: 2 -0.100077882271E+04 -0.15835E-01 -0.17353E-01 2080 0.650E-01 0.397E-01 DAV: 3 -0.100077765968E+04 0.11630E-02 -0.29965E-03 2176 0.110E-01 0.219E-01 DAV: 4 -0.100077737592E+04 0.28376E-03 -0.23651E-03 2144 0.939E-02 0.554E-02 DAV: 5 -0.100077739372E+04 -0.17796E-04 -0.43058E-04 2176 0.401E-02 0.335E-02 DAV: 6 -0.100077740813E+04 -0.14417E-04 -0.91797E-05 2112 0.162E-02 0.183E-02 DAV: 7 -0.100077742467E+04 -0.16541E-04 -0.68221E-06 1600 0.882E-03 0.963E-03 DAV: 8 -0.100077745673E+04 -0.32059E-04 -0.11240E-05 1632 0.777E-03 0.524E-03 DAV: 9 -0.100077747613E+04 -0.19403E-04 -0.16640E-06 1536 0.422E-03 0.294E-03 DAV: 10 -0.100077749958E+04 -0.23448E-04 -0.17246E-06 1504 0.355E-03 0.246E-03 DAV: 11 -0.100077752717E+04 -0.27590E-04 -0.67894E-07 1472 0.338E-03 0.189E-03 DAV: 12 -0.100077754261E+04 -0.15436E-04 -0.27574E-07 1536 0.245E-03 0.981E-04 DAV: 13 -0.100077754914E+04 -0.65294E-05 0.85824E-07 1504 0.115E-03 65 F= -.10105056E+04 E0= -.10105056E+04 d E =-.813603E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.100077589416E+04 0.16484E-02 -0.41570E+01 1792 0.105E+01 0.170E+00 DAV: 2 -0.100084811040E+04 -0.72216E-01 -0.79737E-01 2144 0.139E+00 0.908E-01 DAV: 3 -0.100084294778E+04 0.51626E-02 -0.15826E-02 2208 0.248E-01 0.491E-01 DAV: 4 -0.100084204508E+04 0.90270E-03 -0.10978E-02 2112 0.193E-01 0.137E-01 DAV: 5 -0.100084213988E+04 -0.94801E-04 -0.18401E-03 2176 0.905E-02 0.692E-02 DAV: 6 -0.100084223471E+04 -0.94833E-04 -0.42986E-04 2144 0.347E-02 0.398E-02 DAV: 7 -0.100084229545E+04 -0.60743E-04 -0.41643E-05 2112 0.160E-02 0.191E-02 DAV: 8 -0.100084238094E+04 -0.85491E-04 -0.28777E-05 2080 0.107E-02 0.734E-03 DAV: 9 -0.100084242638E+04 -0.45437E-04 -0.41423E-06 1536 0.568E-03 0.397E-03 DAV: 10 -0.100084247471E+04 -0.48327E-04 -0.34204E-06 1504 0.398E-03 0.278E-03 DAV: 11 -0.100084251674E+04 -0.42030E-04 -0.13203E-06 1536 0.311E-03 0.158E-03 DAV: 12 -0.100084254510E+04 -0.28365E-04 -0.81191E-07 1472 0.253E-03 0.876E-04 DAV: 13 -0.100084256657E+04 -0.21465E-04 -0.10292E-07 1472 0.172E-03 0.803E-04 DAV: 14 -0.100084257714E+04 -0.10574E-04 0.63827E-07 1472 0.116E-03 0.420E-04 DAV: 15 -0.100084258277E+04 -0.56301E-05 0.91487E-07 1472 0.717E-04 66 F= -.10105826E+04 E0= -.10105826E+04 d E =-.770414E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.100083204783E+04 0.10529E-01 -0.81077E+00 1792 0.465E+00 0.751E-01 DAV: 2 -0.100084603946E+04 -0.13992E-01 -0.15469E-01 2144 0.614E-01 0.403E-01 DAV: 3 -0.100084504437E+04 0.99509E-03 -0.29918E-03 2144 0.108E-01 0.219E-01 DAV: 4 -0.100084486127E+04 0.18310E-03 -0.21803E-03 2112 0.863E-02 0.597E-02 DAV: 5 -0.100084487579E+04 -0.14525E-04 -0.36101E-04 2144 0.398E-02 0.313E-02 DAV: 6 -0.100084489385E+04 -0.18060E-04 -0.88984E-05 2112 0.159E-02 0.178E-02 DAV: 7 -0.100084490746E+04 -0.13609E-04 -0.58258E-06 1472 0.714E-03 0.894E-03 DAV: 8 -0.100084492967E+04 -0.22212E-04 -0.77708E-06 1504 0.589E-03 0.362E-03 DAV: 9 -0.100084494197E+04 -0.12298E-04 -0.40921E-07 1536 0.312E-03 0.184E-03 DAV: 10 -0.100084495318E+04 -0.11210E-04 0.23166E-07 1472 0.193E-03 0.140E-03 DAV: 11 -0.100084496368E+04 -0.10502E-04 0.82171E-07 1504 0.131E-03 0.760E-04 DAV: 12 -0.100084497343E+04 -0.97508E-05 0.86579E-07 1440 0.118E-03 67 F= -.10105903E+04 E0= -.10105903E+04 d E =-.847813E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.100083041733E+04 0.14546E-01 -0.41603E+01 1792 0.106E+01 0.186E+00 DAV: 2 -0.100090444010E+04 -0.74023E-01 -0.81347E-01 2144 0.141E+00 0.884E-01 DAV: 3 -0.100089922848E+04 0.52116E-02 -0.14729E-02 2176 0.244E-01 0.488E-01 DAV: 4 -0.100089797071E+04 0.12578E-02 -0.11545E-02 2112 0.209E-01 0.133E-01 DAV: 5 -0.100089796658E+04 0.41292E-05 -0.22177E-03 2176 0.985E-02 0.785E-02 DAV: 6 -0.100089801917E+04 -0.52592E-04 -0.54345E-04 2112 0.407E-02 0.445E-02 DAV: 7 -0.100089806281E+04 -0.43640E-04 -0.37451E-05 2112 0.179E-02 0.280E-02 DAV: 8 -0.100089817054E+04 -0.10773E-03 -0.39037E-05 2144 0.179E-02 0.935E-03 DAV: 9 -0.100089823888E+04 -0.68332E-04 -0.17661E-05 1792 0.106E-02 0.617E-03 DAV: 10 -0.100089831231E+04 -0.73432E-04 -0.65233E-06 1504 0.749E-03 0.467E-03 DAV: 11 -0.100089838689E+04 -0.74584E-04 -0.47839E-06 1504 0.644E-03 0.272E-03 DAV: 12 -0.100089845578E+04 -0.68886E-04 -0.53682E-06 1536 0.621E-03 0.117E-03 DAV: 13 -0.100089848280E+04 -0.27023E-04 -0.18939E-06 1504 0.291E-03 0.163E-03 DAV: 14 -0.100089848984E+04 -0.70351E-05 0.76198E-07 1504 0.102E-03 68 F= -.10106557E+04 E0= -.10106557E+04 d E =-.653986E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.100089476419E+04 0.37186E-02 -0.20862E+00 1920 0.237E+00 0.415E-01 DAV: 2 -0.100089844789E+04 -0.36837E-02 -0.40674E-02 2048 0.316E-01 0.198E-01 DAV: 3 -0.100089818488E+04 0.26301E-03 -0.73713E-04 2144 0.545E-02 0.109E-01 DAV: 4 -0.100089811878E+04 0.66100E-04 -0.56668E-04 2048 0.465E-02 0.293E-02 DAV: 5 -0.100089811783E+04 0.94772E-06 -0.10702E-04 2176 0.218E-02 0.174E-02 DAV: 6 -0.100089812152E+04 -0.36855E-05 -0.26073E-05 2016 0.929E-03 69 F= -.10106580E+04 E0= -.10106580E+04 d E =-.677065E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.100090426527E+04 -0.61474E-02 -0.17698E+01 1792 0.694E+00 0.124E+00 DAV: 2 -0.100093632673E+04 -0.32061E-01 -0.36117E-01 2112 0.958E-01 0.589E-01 DAV: 3 -0.100093357671E+04 0.27500E-02 -0.76081E-03 2176 0.181E-01 0.315E-01 DAV: 4 -0.100093284302E+04 0.73369E-03 -0.46692E-03 2112 0.137E-01 0.878E-02 DAV: 5 -0.100093286520E+04 -0.22177E-04 -0.96123E-04 2176 0.679E-02 0.492E-02 DAV: 6 -0.100093289420E+04 -0.29005E-04 -0.19036E-04 2080 0.260E-02 0.292E-02 DAV: 7 -0.100093292709E+04 -0.32886E-04 -0.17184E-05 1984 0.144E-02 0.146E-02 DAV: 8 -0.100093298893E+04 -0.61842E-04 -0.18894E-05 1760 0.149E-02 0.558E-03 DAV: 9 -0.100093303528E+04 -0.46349E-04 -0.11471E-05 1600 0.941E-03 0.450E-03 DAV: 10 -0.100093308068E+04 -0.45407E-04 -0.39622E-06 1504 0.665E-03 0.303E-03 DAV: 11 -0.100093312722E+04 -0.46541E-04 -0.27999E-06 1472 0.609E-03 0.145E-03 DAV: 12 -0.100093315660E+04 -0.29372E-04 -0.29072E-06 1472 0.424E-03 0.108E-03 DAV: 13 -0.100093316563E+04 -0.90297E-05 0.24333E-07 1504 0.160E-03 70 F= -.10106993E+04 E0= -.10106993E+04 d E =-.412221E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.100093128783E+04 0.18688E-02 -0.13099E+00 1920 0.189E+00 0.337E-01 DAV: 2 -0.100093365302E+04 -0.23652E-02 -0.26700E-02 2048 0.260E-01 0.160E-01 DAV: 3 -0.100093344889E+04 0.20412E-03 -0.55163E-04 2144 0.486E-02 0.851E-02 DAV: 4 -0.100093339517E+04 0.53721E-04 -0.34865E-04 2048 0.372E-02 0.235E-02 DAV: 5 -0.100093339694E+04 -0.17718E-05 -0.68676E-05 2176 0.182E-02 71 F= -.10107012E+04 E0= -.10107012E+04 d E =-.431552E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.100094739355E+04 -0.13998E-01 -0.16704E+01 1792 0.673E+00 0.122E+00 DAV: 2 -0.100097687835E+04 -0.29485E-01 -0.33697E-01 2144 0.927E-01 0.619E-01 DAV: 3 -0.100097484342E+04 0.20349E-02 -0.81703E-03 2240 0.181E-01 0.336E-01 DAV: 4 -0.100097447215E+04 0.37127E-03 -0.43929E-03 2144 0.124E-01 0.107E-01 DAV: 5 -0.100097448747E+04 -0.15317E-04 -0.73850E-04 2400 0.607E-02 0.502E-02 DAV: 6 -0.100097452348E+04 -0.36016E-04 -0.19559E-04 2112 0.243E-02 0.271E-02 DAV: 7 -0.100097454167E+04 -0.18190E-04 -0.17526E-05 1984 0.105E-02 0.120E-02 DAV: 8 -0.100097456658E+04 -0.24906E-04 -0.88727E-06 1536 0.648E-03 0.409E-03 DAV: 9 -0.100097457956E+04 -0.12977E-04 -0.84345E-07 1472 0.295E-03 0.299E-03 DAV: 10 -0.100097459558E+04 -0.16024E-04 -0.12838E-07 1344 0.258E-03 0.151E-03 DAV: 11 -0.100097460611E+04 -0.10530E-04 0.25015E-07 1504 0.195E-03 0.119E-03 DAV: 12 -0.100097461241E+04 -0.62960E-05 0.74834E-07 1440 0.151E-03 72 F= -.10107473E+04 E0= -.10107473E+04 d E =-.460637E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.100096793487E+04 0.66712E-02 -0.73641E+00 1792 0.447E+00 0.807E-01 DAV: 2 -0.100098089198E+04 -0.12957E-01 -0.14831E-01 2112 0.615E-01 0.410E-01 DAV: 3 -0.100097998487E+04 0.90711E-03 -0.36543E-03 2208 0.120E-01 0.220E-01 DAV: 4 -0.100097981109E+04 0.17378E-03 -0.19281E-03 2080 0.819E-02 0.700E-02 DAV: 5 -0.100097981180E+04 -0.70834E-06 -0.31736E-04 2368 0.398E-02 0.334E-02 DAV: 6 -0.100097982393E+04 -0.12135E-04 -0.85440E-05 2112 0.162E-02 0.181E-02 DAV: 7 -0.100097983027E+04 -0.63341E-05 -0.60350E-06 1536 0.694E-03 73 F= -.10107558E+04 E0= -.10107558E+04 d E =-.545515E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.100099540044E+04 -0.15577E-01 -0.11711E+01 1792 0.566E+00 0.865E-01 DAV: 2 -0.100101649797E+04 -0.21098E-01 -0.23265E-01 2144 0.765E-01 0.439E-01 DAV: 3 -0.100101518509E+04 0.13129E-02 -0.44551E-03 2144 0.134E-01 0.253E-01 DAV: 4 -0.100101492260E+04 0.26249E-03 -0.32580E-03 2080 0.110E-01 0.767E-02 DAV: 5 -0.100101492291E+04 -0.30996E-06 -0.61572E-04 2400 0.538E-02 0.421E-02 DAV: 6 -0.100101494403E+04 -0.21119E-04 -0.16997E-04 2080 0.227E-02 0.248E-02 DAV: 7 -0.100101495527E+04 -0.11240E-04 -0.12053E-05 1696 0.975E-03 0.131E-02