N E dE d eps ncg rms rms(c) DAV: 1 0.872695940031E+04 0.87270E+04 -0.62517E+05 1998 0.109E+03 DAV: 2 -0.194785246522E+04 -0.10675E+05 -0.10233E+05 2583 0.295E+02 DAV: 3 -0.299988554253E+04 -0.10520E+04 -0.10336E+04 2367 0.952E+01 DAV: 4 -0.303473561274E+04 -0.34850E+02 -0.34605E+02 2466 0.179E+01 DAV: 5 -0.303593351135E+04 -0.11979E+01 -0.11954E+01 2574 0.320E+00 0.918E+01 DAV: 6 -0.284620730050E+04 0.18973E+03 -0.36330E+02 2430 0.265E+01 0.550E+01 DAV: 7 -0.282709828643E+04 0.19109E+02 -0.17511E+02 2583 0.246E+01 0.409E+01 DAV: 8 -0.279834718569E+04 0.28751E+02 -0.10970E+02 2637 0.186E+01 0.232E+01 DAV: 9 -0.279421262597E+04 0.41346E+01 -0.50777E+01 2484 0.110E+01 0.167E+01 DAV: 10 -0.279057977581E+04 0.36329E+01 -0.22109E+01 2367 0.584E+00 0.105E+01 DAV: 11 -0.279035580513E+04 0.22397E+00 -0.62698E+00 2520 0.364E+00 0.760E+00 DAV: 12 -0.278978435458E+04 0.57145E+00 -0.46162E+00 2565 0.274E+00 0.449E+00 DAV: 13 -0.278979974059E+04 -0.15386E-01 -0.24313E+00 2502 0.170E+00 0.423E+00 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-0.42756E-03 -0.15624E-03 2349 0.475E-02 0.950E-02 DAV: 20 -0.265825584056E+04 -0.57892E-03 -0.97739E-04 2349 0.341E-02 0.850E-02 DAV: 21 -0.265825636063E+04 -0.52007E-03 -0.59242E-04 2376 0.269E-02 0.531E-02 DAV: 22 -0.265825680828E+04 -0.44765E-03 -0.31101E-04 2349 0.203E-02 0.414E-02 DAV: 23 -0.265825719378E+04 -0.38550E-03 -0.15715E-04 2286 0.149E-02 0.220E-02 DAV: 24 -0.265825747387E+04 -0.28009E-03 -0.75770E-05 2142 0.111E-02 0.141E-02 DAV: 25 -0.265825759209E+04 -0.11822E-03 -0.40018E-05 1998 0.756E-03 0.111E-02 DAV: 26 -0.265825762970E+04 -0.37609E-04 -0.13553E-05 1584 0.394E-03 0.766E-03 DAV: 27 -0.265825764950E+04 -0.19803E-04 -0.64200E-06 1557 0.272E-03 0.381E-03 DAV: 28 -0.265825765995E+04 -0.10447E-04 -0.33035E-06 1530 0.197E-03 0.282E-03 DAV: 29 -0.265825766465E+04 -0.47005E-05 -0.14561E-06 1503 0.124E-03 2 F= -.26582577E+04 E0= -.26581956E+04 d E =0.131290E+03 N E dE d eps ncg rms rms(c) DAV: 1 -0.270502615937E+04 -0.46768E+02 -0.28470E+04 1989 0.191E+02 0.134E+02 DAV: 2 -0.294518487789E+04 -0.24016E+03 -0.28568E+03 2511 0.554E+01 0.671E+01 DAV: 3 -0.292636586171E+04 0.18819E+02 -0.21455E+02 2556 0.208E+01 0.490E+01 DAV: 4 -0.292225118368E+04 0.41147E+01 -0.92178E+01 2448 0.122E+01 0.375E+01 DAV: 5 -0.291854404281E+04 0.37071E+01 -0.33801E+01 2268 0.798E+00 0.239E+01 DAV: 6 -0.291801362770E+04 0.53042E+00 -0.10202E+01 2304 0.359E+00 0.189E+01 DAV: 7 -0.291857662842E+04 -0.56300E+00 -0.73644E+00 2583 0.310E+00 0.145E+01 DAV: 8 -0.291795431456E+04 0.62231E+00 -0.53616E+00 2502 0.285E+00 0.738E+00 DAV: 9 -0.291715543472E+04 0.79888E+00 -0.39968E+00 2565 0.202E+00 0.338E+00 DAV: 10 -0.291710879516E+04 0.46640E-01 -0.15117E+00 2340 0.113E+00 0.275E+00 DAV: 11 -0.291704437351E+04 0.64422E-01 -0.31949E-01 2376 0.600E-01 0.101E+00 DAV: 12 -0.291704454027E+04 -0.16677E-03 -0.84149E-02 2241 0.268E-01 0.723E-01 DAV: 13 -0.291705062088E+04 -0.60806E-02 -0.37448E-02 2475 0.216E-01 0.894E-01 DAV: 14 -0.291704731158E+04 0.33093E-02 -0.76922E-02 2403 0.213E-01 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=-.127501E+03 N E dE d eps ncg rms rms(c) DAV: 1 -0.252243742286E+04 0.39461E+03 -0.43030E+04 2034 0.236E+02 0.156E+02 DAV: 2 -0.294711983664E+04 -0.42468E+03 -0.40292E+03 2430 0.679E+01 0.751E+01 DAV: 3 -0.290119381377E+04 0.45926E+02 -0.34517E+02 2457 0.261E+01 0.560E+01 DAV: 4 -0.289166134493E+04 0.95325E+01 -0.12879E+02 2385 0.151E+01 0.442E+01 DAV: 5 -0.288439596741E+04 0.72654E+01 -0.66412E+01 2430 0.113E+01 0.303E+01 DAV: 6 -0.288248634216E+04 0.19096E+01 -0.17934E+01 2394 0.467E+00 0.240E+01 DAV: 7 -0.288179975124E+04 0.68659E+00 -0.12906E+01 2457 0.306E+00 0.194E+01 DAV: 8 -0.288208528977E+04 -0.28554E+00 -0.85165E+00 2484 0.324E+00 0.131E+01 DAV: 9 -0.288043258253E+04 0.16527E+01 -0.51778E+00 2583 0.304E+00 0.556E+00 DAV: 10 -0.288037275119E+04 0.59831E-01 -0.26542E+00 2358 0.187E+00 0.489E+00 DAV: 11 -0.288015132315E+04 0.22143E+00 -0.15190E+00 2385 0.104E+00 0.208E+00 DAV: 12 -0.288014910450E+04 0.22186E-02 -0.33368E-01 2457 0.544E-01 0.157E+00 DAV: 13 -0.288012633153E+04 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-0.77311E-05 2304 0.134E-02 0.992E-03 DAV: 18 -0.310205183973E+04 -0.99828E-05 -0.18248E-05 1665 0.579E-03 16 F= -.31020518E+04 E0= -.31020238E+04 d E =-.995298E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.310224239698E+04 -0.19057E+00 -0.17540E+02 1989 0.149E+01 0.331E+00 DAV: 2 -0.310280505367E+04 -0.56266E+00 -0.55998E+00 2394 0.239E+00 0.418E+00 DAV: 3 -0.310264816613E+04 0.15689E+00 -0.30687E+00 2394 0.953E-01 0.303E+00 DAV: 4 -0.310256839040E+04 0.79776E-01 -0.65488E-01 2439 0.582E-01 0.174E+00 DAV: 5 -0.310255326802E+04 0.15122E-01 -0.25705E-01 2367 0.431E-01 0.117E+00 DAV: 6 -0.310255265213E+04 0.61589E-03 -0.14027E-01 2457 0.386E-01 0.928E-01 DAV: 7 -0.310254029390E+04 0.12358E-01 -0.48075E-02 2403 0.250E-01 0.252E-01 DAV: 8 -0.310254139262E+04 -0.10987E-02 -0.11724E-02 2340 0.122E-01 0.298E-01 DAV: 9 -0.310254013214E+04 0.12605E-02 -0.50502E-03 2268 0.802E-02 0.114E-01 DAV: 10 -0.310254008744E+04 0.44700E-04 -0.92292E-04 2286 0.384E-02 0.733E-02 DAV: 11 -0.310254004765E+04 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0.867E+00 0.179E+00 DAV: 2 -0.311238832119E+04 -0.12037E+00 -0.15704E+00 2358 0.128E+00 0.134E+00 DAV: 3 -0.311240587324E+04 -0.17552E-01 -0.39069E-01 2430 0.420E-01 0.194E+00 DAV: 4 -0.311237662685E+04 0.29246E-01 -0.46831E-01 2421 0.282E-01 0.115E+00 DAV: 5 -0.311237326069E+04 0.33662E-02 -0.12577E-01 2511 0.246E-01 0.788E-01 DAV: 6 -0.311237019414E+04 0.30665E-02 -0.48047E-02 2466 0.221E-01 0.527E-01 DAV: 7 -0.311236665160E+04 0.35425E-02 -0.20459E-02 2421 0.138E-01 0.189E-01 DAV: 8 -0.311236653900E+04 0.11260E-03 -0.49168E-03 2304 0.668E-02 0.117E-01 DAV: 9 -0.311236646363E+04 0.75365E-04 -0.15313E-03 2331 0.405E-02 0.844E-02 DAV: 10 -0.311236640504E+04 0.58591E-04 -0.46025E-04 2331 0.275E-02 0.558E-02 DAV: 11 -0.311236637366E+04 0.31381E-04 -0.19906E-04 2277 0.158E-02 0.270E-02 DAV: 12 -0.311236637495E+04 -0.12946E-05 -0.54641E-05 1872 0.959E-03 19 F= -.31123664E+04 E0= -.31123366E+04 d E =-.982633E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.311994060583E+04 -0.75742E+01 -0.11336E+03 1980 0.382E+01 0.882E+00 DAV: 2 -0.312261317372E+04 -0.26726E+01 -0.32405E+01 2331 0.587E+00 0.718E+00 DAV: 3 -0.312250140939E+04 0.11176E+00 -0.58516E+00 2484 0.216E+00 0.580E+00 DAV: 4 -0.312199588502E+04 0.50552E+00 -0.23378E+00 2376 0.133E+00 0.377E+00 DAV: 5 -0.312205801371E+04 -0.62129E-01 -0.15420E+00 2493 0.971E-01 0.368E+00 DAV: 6 -0.312202632149E+04 0.31692E-01 -0.17592E+00 2538 0.880E-01 0.337E+00 DAV: 7 -0.312190325220E+04 0.12307E+00 -0.71585E-01 2466 0.599E-01 0.123E+00 DAV: 8 -0.312189796859E+04 0.52836E-02 -0.10619E-01 2439 0.367E-01 0.825E-01 DAV: 9 -0.312189354613E+04 0.44225E-02 -0.59385E-02 2358 0.239E-01 0.522E-01 DAV: 10 -0.312189193816E+04 0.16080E-02 -0.11296E-02 2250 0.134E-01 0.275E-01 DAV: 11 -0.312189139526E+04 0.54290E-03 -0.46034E-03 2304 0.807E-02 0.174E-01 DAV: 12 -0.312189127189E+04 0.12337E-03 -0.19884E-03 2313 0.523E-02 0.120E-01 DAV: 13 -0.312189121884E+04 0.53057E-04 -0.10275E-03 2304 0.363E-02 0.596E-02 DAV: 14 -0.312189122730E+04 -0.84610E-05 -0.27877E-04 2313 0.204E-02 0.257E-02 DAV: 15 -0.312189124380E+04 -0.16506E-04 -0.71188E-05 2178 0.118E-02 0.186E-02 DAV: 16 -0.312189126732E+04 -0.23516E-04 -0.34587E-05 1881 0.974E-03 0.123E-02 DAV: 17 -0.312189128438E+04 -0.17061E-04 -0.17578E-05 1602 0.707E-03 0.830E-03 DAV: 18 -0.312189129618E+04 -0.11804E-04 -0.83296E-06 1548 0.613E-03 0.586E-03 DAV: 19 -0.312189130669E+04 -0.10503E-04 -0.52189E-06 1557 0.665E-03 0.380E-03 DAV: 20 -0.312189131128E+04 -0.45959E-05 -0.67639E-06 1557 0.484E-03 20 F= -.31218913E+04 E0= -.31218617E+04 d E =-.952494E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.312255104284E+04 -0.65974E+00 -0.27340E+02 1980 0.188E+01 0.397E+00 DAV: 2 -0.312317171624E+04 -0.62067E+00 -0.72972E+00 2340 0.284E+00 0.393E+00 DAV: 3 -0.312317516949E+04 -0.34532E-02 -0.11104E+00 2475 0.104E+00 0.387E+00 DAV: 4 -0.312304485364E+04 0.13032E+00 -0.19307E+00 2439 0.698E-01 0.271E+00 DAV: 5 -0.312300578885E+04 0.39065E-01 -0.37192E-01 2466 0.520E-01 0.175E+00 DAV: 6 -0.312299105441E+04 0.14734E-01 -0.21739E-01 2412 0.437E-01 0.979E-01 DAV: 7 -0.312298279453E+04 0.82599E-02 -0.54739E-02 2430 0.294E-01 0.626E-01 DAV: 8 -0.312297894940E+04 0.38451E-02 -0.15076E-02 2403 0.172E-01 0.313E-01 DAV: 9 -0.312297847286E+04 0.47654E-03 -0.11407E-02 2376 0.105E-01 0.244E-01 DAV: 10 -0.312297776593E+04 0.70693E-03 -0.39804E-03 2403 0.629E-02 0.116E-01 DAV: 11 -0.312297761143E+04 0.15450E-03 -0.90172E-04 2340 0.384E-02 0.763E-02 DAV: 12 -0.312297754629E+04 0.65134E-04 -0.44118E-04 2367 0.305E-02 0.580E-02 DAV: 13 -0.312297745697E+04 0.89327E-04 -0.15707E-04 2367 0.265E-02 0.229E-02 DAV: 14 -0.312297743006E+04 0.26906E-04 -0.83961E-05 2493 0.182E-02 0.163E-02 DAV: 15 -0.312297741938E+04 0.10681E-04 -0.54433E-05 2286 0.132E-02 0.131E-02 DAV: 16 -0.312297740711E+04 0.12269E-04 -0.97988E-06 1746 0.145E-02 0.839E-03 DAV: 17 -0.312297740196E+04 0.51538E-05 -0.25823E-05 1908 0.136E-02 21 F= -.31229774E+04 E0= -.31229540E+04 d E =-.106110E+02 N E dE d eps ncg rms rms(c) DAV: 1 -0.312834181722E+04 -0.53644E+01 -0.11387E+03 1980 0.384E+01 0.912E+00 DAV: 2 -0.313183433031E+04 -0.34925E+01 -0.35347E+01 2358 0.634E+00 0.848E+00 DAV: 3 -0.313047968759E+04 0.13546E+01 -0.40045E+00 2412 0.243E+00 0.487E+00 DAV: 4 -0.313041431610E+04 0.65371E-01 -0.16532E+00 2340 0.128E+00 0.437E+00 DAV: 5 -0.313037158768E+04 0.42728E-01 -0.19234E+00 2394 0.103E+00 0.381E+00 DAV: 6 -0.313039696541E+04 -0.25378E-01 -0.37065E+00 2448 0.963E-01 0.375E+00 DAV: 7 -0.313022159621E+04 0.17537E+00 -0.41949E-01 2430 0.629E-01 0.144E+00 DAV: 8 -0.313020910683E+04 0.12489E-01 -0.97854E-02 2358 0.351E-01 0.614E-01 DAV: 9 -0.313020877272E+04 0.33411E-03 -0.30426E-02 2232 0.200E-01 0.423E-01 DAV: 10 -0.313020727634E+04 0.14964E-02 -0.93877E-03 2331 0.118E-01 0.206E-01 DAV: 11 -0.313020685831E+04 0.41803E-03 -0.28423E-03 2241 0.673E-02 0.100E-01 DAV: 12 -0.313020688798E+04 -0.29678E-04 -0.99747E-04 2313 0.395E-02 0.668E-02 DAV: 13 -0.313020693067E+04 -0.42684E-04 -0.36216E-04 2367 0.230E-02 0.612E-02 DAV: 14 -0.313020691000E+04 0.20670E-04 -0.11448E-04 2349 0.151E-02 0.220E-02 DAV: 15 -0.313020694007E+04 -0.30075E-04 -0.43598E-05 2043 0.942E-03 0.149E-02 DAV: 16 -0.313020696892E+04 -0.28842E-04 -0.26380E-05 1575 0.664E-03 0.126E-02 DAV: 17 -0.313020698329E+04 -0.14372E-04 -0.12401E-05 1512 0.427E-03 0.576E-03 DAV: 18 -0.313020699775E+04 -0.14459E-04 -0.81919E-06 1530 0.408E-03 0.935E-03 DAV: 19 -0.313020700502E+04 -0.72756E-05 -0.68932E-06 1503 0.311E-03 22 F= -.31302070E+04 E0= -.31301897E+04 d E =-.722960E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.313027225241E+04 -0.65255E-01 -0.16323E+01 1980 0.462E+00 0.105E+00 DAV: 2 -0.313034187480E+04 -0.69622E-01 -0.76527E-01 2358 0.756E-01 0.206E+00 DAV: 3 -0.313030565238E+04 0.36222E-01 -0.53934E-01 2331 0.320E-01 0.107E+00 DAV: 4 -0.313030107998E+04 0.45724E-02 -0.40666E-02 2385 0.194E-01 0.662E-01 DAV: 5 -0.313029670515E+04 0.43748E-02 -0.29130E-02 2322 0.144E-01 0.320E-01 DAV: 6 -0.313029741518E+04 -0.71003E-03 -0.96023E-03 2340 0.109E-01 0.331E-01 DAV: 7 -0.313029635904E+04 0.10561E-02 -0.67304E-03 2385 0.745E-02 0.172E-01 DAV: 8 -0.313029608104E+04 0.27801E-03 -0.21484E-03 2331 0.406E-02 0.730E-02 DAV: 9 -0.313029605772E+04 0.23313E-04 -0.63294E-04 2340 0.239E-02 0.493E-02 DAV: 10 -0.313029602750E+04 0.30225E-04 -0.17556E-04 2322 0.159E-02 0.226E-02 DAV: 11 -0.313029602536E+04 0.21374E-05 -0.46575E-05 2151 0.847E-03 23 F= -.31302960E+04 E0= -.31302798E+04 d E =-.731862E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.313497801799E+04 -0.46820E+01 -0.89446E+02 1980 0.339E+01 0.780E+00 DAV: 2 -0.313766428526E+04 -0.26863E+01 -0.30105E+01 2367 0.545E+00 0.768E+00 DAV: 3 -0.313694642694E+04 0.71786E+00 -0.41606E+00 2394 0.206E+00 0.524E+00 DAV: 4 -0.313680172430E+04 0.14470E+00 -0.20192E+00 2331 0.112E+00 0.449E+00 DAV: 5 -0.313670372971E+04 0.97995E-01 -0.26414E+00 2547 0.960E-01 0.310E+00 DAV: 6 -0.313671145275E+04 -0.77230E-02 -0.91499E-01 2493 0.872E-01 0.297E+00 DAV: 7 -0.313660801192E+04 0.10344E+00 -0.78169E-01 2466 0.603E-01 0.126E+00 DAV: 8 -0.313659940297E+04 0.86090E-02 -0.63530E-02 2322 0.319E-01 0.566E-01 DAV: 9 -0.313659686240E+04 0.25406E-02 -0.25147E-02 2277 0.185E-01 0.325E-01 DAV: 10 -0.313659626805E+04 0.59435E-03 -0.82653E-03 2331 0.101E-01 0.218E-01 DAV: 11 -0.313659585748E+04 0.41057E-03 -0.26681E-03 2349 0.629E-02 0.134E-01 DAV: 12 -0.313659569456E+04 0.16291E-03 -0.95981E-04 2304 0.421E-02 0.760E-02 DAV: 13 -0.313659569649E+04 -0.19216E-05 -0.99320E-04 2340 0.304E-02 0.631E-02 DAV: 14 -0.313659564051E+04 0.55980E-04 -0.46569E-04 2331 0.201E-02 0.268E-02 DAV: 15 -0.313659563031E+04 0.10192E-04 -0.50509E-05 2133 0.131E-02 0.157E-02 DAV: 16 -0.313659562070E+04 0.96149E-05 -0.28455E-05 1935 0.148E-02 24 F= -.31365956E+04 E0= -.31365809E+04 d E =-.629960E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.313670826940E+04 -0.11264E+00 -0.44283E+01 1980 0.754E+00 0.165E+00 DAV: 2 -0.313684911781E+04 -0.14085E+00 -0.16098E+00 2376 0.118E+00 0.240E+00 DAV: 3 -0.313681427785E+04 0.34840E-01 -0.74634E-01 2394 0.466E-01 0.174E+00 DAV: 4 -0.313679863777E+04 0.15640E-01 -0.43746E-02 2376 0.293E-01 0.120E+00 DAV: 5 -0.313678654259E+04 0.12095E-01 -0.99449E-02 2349 0.227E-01 0.606E-01 DAV: 6 -0.313678996710E+04 -0.34245E-02 -0.48537E-02 2466 0.197E-01 0.705E-01 DAV: 7 -0.313678442320E+04 0.55439E-02 -0.30878E-02 2421 0.144E-01 0.297E-01 DAV: 8 -0.313678406840E+04 0.35480E-03 -0.50280E-03 2349 0.706E-02 0.170E-01 DAV: 9 -0.313678376913E+04 0.29927E-03 -0.16734E-03 2331 0.414E-02 0.714E-02 DAV: 10 -0.313678373354E+04 0.35595E-04 -0.61420E-04 2367 0.281E-02 0.575E-02 DAV: 11 -0.313678368280E+04 0.50736E-04 -0.31622E-04 2367 0.179E-02 0.317E-02 DAV: 12 -0.313678365479E+04 0.28007E-04 -0.66593E-05 2106 0.132E-02 0.184E-02 DAV: 13 -0.313678363373E+04 0.21060E-04 -0.31568E-05 1935 0.121E-02 0.154E-02 DAV: 14 -0.313678361028E+04 0.23453E-04 -0.23091E-05 1845 0.115E-02 0.983E-03 DAV: 15 -0.313678358845E+04 0.21827E-04 -0.15118E-05 1809 0.117E-02 0.858E-03 DAV: 16 -0.313678353995E+04 0.48504E-04 0.11153E-06 2007 0.242E-02 0.761E-03 DAV: 17 -0.313678349927E+04 0.40675E-04 -0.26479E-05 2709 0.281E-02 0.653E-03 DAV: 18 -0.313678348631E+04 0.12959E-04 -0.10655E-04 2610 0.259E-02 0.600E-03 DAV: 19 -0.313678349682E+04 -0.10505E-04 -0.11859E-04 2151 0.109E-02 0.109E-02 DAV: 20 -0.313678349683E+04 -0.11161E-07 -0.21731E-06 1233 0.144E-03 25 F= -.31367835E+04 E0= -.31367713E+04 d E =-.648747E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.314146473872E+04 -0.46812E+01 -0.59280E+02 1980 0.277E+01 0.598E+00 DAV: 2 -0.314309642480E+04 -0.16317E+01 -0.18347E+01 2349 0.428E+00 0.545E+00 DAV: 3 -0.314269274024E+04 0.40368E+00 -0.18040E+00 2385 0.145E+00 0.415E+00 DAV: 4 -0.314263738391E+04 0.55356E-01 -0.19384E+00 2376 0.889E-01 0.342E+00 DAV: 5 -0.314261309610E+04 0.24288E-01 -0.10568E+00 2475 0.804E-01 0.326E+00 DAV: 6 -0.314255437297E+04 0.58723E-01 -0.11766E+00 2502 0.672E-01 0.203E+00 DAV: 7 -0.314252969233E+04 0.24681E-01 -0.36704E-01 2466 0.432E-01 0.151E+00 DAV: 8 -0.314251012920E+04 0.19563E-01 -0.80128E-02 2394 0.263E-01 0.474E-01 DAV: 9 -0.314250931611E+04 0.81309E-03 -0.17301E-02 2322 0.164E-01 0.299E-01 DAV: 10 -0.314250867174E+04 0.64437E-03 -0.55173E-03 2268 0.863E-02 0.162E-01 DAV: 11 -0.314250872258E+04 -0.50838E-04 -0.18959E-03 2430 0.515E-02 0.148E-01 DAV: 12 -0.314250851440E+04 0.20817E-03 -0.88468E-04 2385 0.361E-02 0.674E-02 DAV: 13 -0.314250855252E+04 -0.38114E-04 -0.55219E-04 2331 0.250E-02 0.637E-02 DAV: 14 -0.314250851883E+04 0.33684E-04 -0.32653E-04 2349 0.181E-02 0.228E-02 DAV: 15 -0.314250852805E+04 -0.92124E-05 -0.44582E-05 2016 0.116E-02 26 F= -.31425085E+04 E0= -.31424791E+04 d E =-.572503E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.314297844373E+04 -0.46992E+00 -0.19104E+02 1980 0.157E+01 0.329E+00 DAV: 2 -0.314355016396E+04 -0.57172E+00 -0.55611E+00 2367 0.242E+00 0.389E+00 DAV: 3 -0.314339165262E+04 0.15851E+00 -0.86999E-01 2430 0.857E-01 0.288E+00 DAV: 4 -0.314335337722E+04 0.38275E-01 -0.72100E-01 2376 0.529E-01 0.217E+00 DAV: 5 -0.314333695931E+04 0.16418E-01 -0.41453E-01 2466 0.434E-01 0.171E+00 DAV: 6 -0.314332207989E+04 0.14879E-01 -0.13690E-01 2421 0.361E-01 0.111E+00 DAV: 7 -0.314331591893E+04 0.61610E-02 -0.32943E-02 2457 0.249E-01 0.803E-01 DAV: 8 -0.314331066545E+04 0.52535E-02 -0.27755E-02 2340 0.147E-01 0.304E-01 DAV: 9 -0.314331008402E+04 0.58143E-03 -0.77543E-03 2313 0.870E-02 0.168E-01 DAV: 10 -0.314330996474E+04 0.11928E-03 -0.26694E-03 2331 0.544E-02 0.138E-01 DAV: 11 -0.314330981456E+04 0.15018E-03 -0.11067E-03 2349 0.355E-02 0.835E-02 DAV: 12 -0.314330973377E+04 0.80785E-04 -0.32552E-04 2385 0.247E-02 0.362E-02 DAV: 13 -0.314330971839E+04 0.15379E-04 -0.11995E-04 2430 0.221E-02 0.288E-02 DAV: 14 -0.314330970143E+04 0.16958E-04 -0.86028E-05 2367 0.167E-02 0.182E-02 DAV: 15 -0.314330968929E+04 0.12148E-04 -0.26621E-05 1737 0.132E-02 0.114E-02 DAV: 16 -0.314330967703E+04 0.12262E-04 -0.34728E-05 2007 0.177E-02 0.771E-03 DAV: 17 -0.314330967322E+04 0.38099E-05 -0.56169E-05 2286 0.177E-02 27 F= -.31433097E+04 E0= -.31432797E+04 d E =-.652618E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.314777450630E+04 -0.44648E+01 -0.64538E+02 1989 0.288E+01 0.635E+00 DAV: 2 -0.314953973068E+04 -0.17652E+01 -0.18456E+01 2376 0.442E+00 0.596E+00 DAV: 3 -0.314913060537E+04 0.40913E+00 -0.35928E+00 2394 0.159E+00 0.403E+00 DAV: 4 -0.314902911957E+04 0.10149E+00 -0.88309E-01 2304 0.908E-01 0.333E+00 DAV: 5 -0.314899529193E+04 0.33828E-01 -0.75286E-01 2538 0.795E-01 0.302E+00 DAV: 6 -0.314896881821E+04 0.26474E-01 -0.53408E-01 2349 0.617E-01 0.241E+00 DAV: 7 -0.314892928216E+04 0.39536E-01 -0.19295E-01 2394 0.424E-01 0.148E+00 DAV: 8 -0.314891898606E+04 0.10296E-01 -0.99813E-02 2358 0.250E-01 0.867E-01 DAV: 9 -0.314891222683E+04 0.67592E-02 -0.61620E-02 2349 0.158E-01 0.334E-01 DAV: 10 -0.314891265520E+04 -0.42838E-03 -0.14900E-02 2394 0.103E-01 0.285E-01 DAV: 11 -0.314891167025E+04 0.98496E-03 -0.50452E-03 2358 0.770E-02 0.121E-01 DAV: 12 -0.314891163270E+04 0.37552E-04 -0.12033E-03 2304 0.394E-02 0.842E-02 DAV: 13 -0.314891159383E+04 0.38863E-04 -0.43151E-04 2331 0.228E-02 0.450E-02 DAV: 14 -0.314891160012E+04 -0.62824E-05 -0.13059E-04 2277 0.164E-02 0.319E-02 DAV: 15 -0.314891160744E+04 -0.73254E-05 -0.37707E-05 2052 0.931E-03 28 F= -.31489116E+04 E0= -.31488729E+04 d E =-.560193E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.314923527560E+04 -0.32368E+00 -0.92387E+01 1980 0.109E+01 0.237E+00 DAV: 2 -0.314953070075E+04 -0.29543E+00 -0.25950E+00 2367 0.169E+00 0.337E+00 DAV: 3 -0.314943710628E+04 0.93594E-01 -0.74956E-01 2403 0.619E-01 0.214E+00 DAV: 4 -0.314942156737E+04 0.15539E-01 -0.35158E-01 2340 0.388E-01 0.169E+00 DAV: 5 -0.314940231794E+04 0.19249E-01 -0.15841E-01 2457 0.320E-01 0.112E+00 DAV: 6 -0.314940936558E+04 -0.70476E-02 -0.56240E-02 2421 0.269E-01 0.125E+00 DAV: 7 -0.314939369311E+04 0.15672E-01 -0.29029E-02 2457 0.199E-01 0.421E-01 DAV: 8 -0.314939330489E+04 0.38823E-03 -0.10720E-02 2349 0.110E-01 0.229E-01 DAV: 9 -0.314939281819E+04 0.48670E-03 -0.44107E-03 2286 0.631E-02 0.118E-01 DAV: 10 -0.314939279941E+04 0.18781E-04 -0.23095E-03 2367 0.361E-02 0.101E-01 DAV: 11 -0.314939272896E+04 0.70446E-04 -0.11145E-03 2331 0.258E-02 0.614E-02 DAV: 12 -0.314939269203E+04 0.36925E-04 -0.25407E-04 2331 0.159E-02 0.281E-02 DAV: 13 -0.314939269487E+04 -0.28402E-05 -0.54261E-05 2106 0.924E-03 29 F= -.31493927E+04 E0= -.31493529E+04 d E =-.608302E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.315298981608E+04 -0.35971E+01 -0.63747E+02 1980 0.285E+01 0.610E+00 DAV: 2 -0.315444023384E+04 -0.14504E+01 -0.18966E+01 2367 0.417E+00 0.569E+00 DAV: 3 -0.315449371661E+04 -0.53483E-01 -0.30860E+00 2493 0.144E+00 0.525E+00 DAV: 4 -0.315419477983E+04 0.29894E+00 -0.97629E-01 2457 0.952E-01 0.335E+00 DAV: 5 -0.315417258769E+04 0.22192E-01 -0.85326E-01 2583 0.778E-01 0.317E+00 DAV: 6 -0.315411642146E+04 0.56166E-01 -0.21733E-01 2475 0.701E-01 0.175E+00 DAV: 7 -0.315409059872E+04 0.25823E-01 -0.31903E-01 2403 0.479E-01 0.933E-01 DAV: 8 -0.315408758666E+04 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0.30004E-05 1899 0.116E-02 0.382E-01 DAV: 17 -0.318780033004E+04 0.63499E-03 0.13776E-05 1755 0.838E-03 0.400E-01 DAV: 18 -0.318780017020E+04 0.15984E-03 -0.95050E-06 1566 0.373E-03 0.403E-01 DAV: 19 -0.318780033302E+04 -0.16282E-03 0.12490E-06 1161 0.207E-03 0.397E-01 DAV: 20 -0.318780120576E+04 -0.87274E-03 0.87132E-05 1719 0.855E-03 0.364E-01 DAV: 21 -0.318780273931E+04 -0.15336E-02 0.38101E-04 2241 0.188E-02 0.301E-01 DAV: 22 -0.318780414485E+04 -0.14055E-02 0.61277E-04 2304 0.218E-02 0.248E-01 DAV: 23 -0.318780423693E+04 -0.92083E-04 -0.76648E-05 2160 0.793E-03 0.250E-01 DAV: 24 -0.318780463508E+04 -0.39815E-03 -0.68283E-06 1764 0.600E-03 0.250E-01 DAV: 25 -0.318780479790E+04 -0.16282E-03 -0.91671E-05 2214 0.145E-02 0.287E-01 DAV: 26 -0.318780503845E+04 -0.24055E-03 -0.66221E-06 1917 0.694E-03 0.280E-01 DAV: 27 -0.318780503490E+04 0.35587E-05 -0.42578E-06 1206 0.204E-03 50 F= -.31878050E+04 E0= -.31877536E+04 d E =-.150370E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.318788432979E+04 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-0.318792769733E+04 0.19029E-04 -0.89504E-05 2070 0.125E-02 0.923E-02 DAV: 15 -0.318792768768E+04 0.96526E-05 -0.42440E-05 1728 0.665E-03 51 F= -.31879277E+04 E0= -.31878882E+04 d E =-.162635E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.318896692401E+04 -0.10392E+01 -0.18566E+02 1980 0.153E+01 0.307E+00 DAV: 2 -0.318945523962E+04 -0.48832E+00 -0.56906E+00 2313 0.222E+00 0.417E+00 DAV: 3 -0.318939061991E+04 0.64620E-01 -0.16256E+00 2439 0.739E-01 0.326E+00 DAV: 4 -0.318936572937E+04 0.24891E-01 -0.76575E-01 2322 0.466E-01 0.242E+00 DAV: 5 -0.318934590410E+04 0.19825E-01 -0.21070E-01 2448 0.423E-01 0.204E+00 DAV: 6 -0.318931335974E+04 0.32544E-01 -0.28021E-02 2439 0.333E-01 0.138E+00 DAV: 7 -0.318934006834E+04 -0.26709E-01 -0.23166E-01 2556 0.341E-01 0.261E+00 DAV: 8 -0.318930447774E+04 0.35591E-01 -0.30350E-01 2412 0.237E-01 0.707E-01 DAV: 9 -0.318930367881E+04 0.79893E-03 -0.76033E-03 2322 0.131E-01 0.629E-01 DAV: 10 -0.318930154623E+04 0.21326E-02 -0.56873E-03 2286 0.875E-02 0.611E-01 DAV: 11 -0.318929991220E+04 0.16340E-02 -0.39869E-03 2268 0.659E-02 0.377E-01 DAV: 12 -0.318930049280E+04 -0.58060E-03 -0.28847E-03 2277 0.404E-02 0.422E-01 DAV: 13 -0.318930014343E+04 0.34936E-03 -0.52138E-04 2061 0.227E-02 0.272E-01 DAV: 14 -0.318929981183E+04 0.33161E-03 -0.31104E-04 2304 0.132E-02 0.825E-02 DAV: 15 -0.318929981850E+04 -0.66759E-05 -0.14716E-04 2070 0.144E-02 0.109E-01 DAV: 16 -0.318929980688E+04 0.11625E-04 -0.15672E-04 2241 0.101E-02 0.119E-01 DAV: 17 -0.318929977919E+04 0.27691E-04 -0.32911E-05 1350 0.505E-03 0.392E-02 DAV: 18 -0.318929978166E+04 -0.24724E-05 -0.64311E-06 1485 0.357E-03 52 F= -.31892998E+04 E0= -.31892596E+04 d E =-.137209E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.318938345866E+04 -0.83679E-01 -0.69033E+01 1980 0.936E+00 0.184E+00 DAV: 2 -0.318956526920E+04 -0.18181E+00 -0.20252E+00 2322 0.135E+00 0.257E+00 DAV: 3 -0.318954204388E+04 0.23225E-01 -0.52279E-01 2430 0.444E-01 0.233E+00 DAV: 4 -0.318953882103E+04 0.32229E-02 -0.38682E-01 2295 0.257E-01 0.145E+00 DAV: 5 -0.318952842097E+04 0.10400E-01 -0.33955E-02 2430 0.258E-01 0.139E+00 DAV: 6 -0.318951305309E+04 0.15368E-01 -0.26840E-02 2412 0.192E-01 0.962E-01 DAV: 7 -0.318953231901E+04 -0.19266E-01 -0.80290E-02 2457 0.221E-01 0.270E+00 DAV: 8 -0.318950620021E+04 0.26119E-01 -0.13321E-01 2385 0.172E-01 0.493E-01 DAV: 9 -0.318950883361E+04 -0.26334E-02 -0.86915E-03 2241 0.106E-01 0.393E-01 DAV: 10 -0.318950869293E+04 0.14068E-03 -0.44387E-03 2340 0.668E-02 0.310E-01 DAV: 11 -0.318950870920E+04 -0.16270E-04 -0.27730E-03 2304 0.487E-02 0.374E-01 DAV: 12 -0.318950805181E+04 0.65740E-03 -0.10385E-03 2295 0.296E-02 0.149E-01 DAV: 13 -0.318950803214E+04 0.19671E-04 -0.50958E-04 2241 0.192E-02 0.122E-01 DAV: 14 -0.318950806747E+04 -0.35339E-04 -0.29823E-04 1908 0.125E-02 0.156E-01 DAV: 15 -0.318950797645E+04 0.91028E-04 -0.13781E-04 1836 0.946E-03 0.564E-02 DAV: 16 -0.318950798655E+04 -0.10105E-04 -0.42167E-05 1503 0.536E-03 0.431E-02 DAV: 17 -0.318950797965E+04 0.69062E-05 -0.11592E-05 1422 0.333E-03 53 F= -.31895080E+04 E0= -.31894671E+04 d E =-.158029E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319044895060E+04 -0.94096E+00 -0.19233E+02 1980 0.156E+01 0.328E+00 DAV: 2 -0.319122364492E+04 -0.77469E+00 -0.70685E+00 2304 0.240E+00 0.969E+00 DAV: 3 -0.319092860365E+04 0.29504E+00 -0.61968E+00 2286 0.738E-01 0.309E+00 DAV: 4 -0.319087268457E+04 0.55919E-01 -0.36962E-01 2727 0.648E-01 0.264E+00 DAV: 5 -0.319084498288E+04 0.27702E-01 -0.34409E-01 2331 0.496E-01 0.195E+00 DAV: 6 -0.319085987583E+04 -0.14893E-01 -0.41008E-01 2412 0.416E-01 0.232E+00 DAV: 7 -0.319082816764E+04 0.31708E-01 -0.26322E-01 2403 0.371E-01 0.148E+00 DAV: 8 -0.319081948954E+04 0.86781E-02 -0.34833E-02 2475 0.269E-01 0.982E-01 DAV: 9 -0.319081402432E+04 0.54652E-02 -0.51257E-02 2304 0.162E-01 0.540E-01 DAV: 10 -0.319081287282E+04 0.11515E-02 -0.18954E-02 2358 0.949E-02 0.450E-01 DAV: 11 -0.319081185679E+04 0.10160E-02 -0.37741E-03 2313 0.606E-02 0.295E-01 DAV: 12 -0.319081065087E+04 0.12059E-02 -0.49855E-04 2304 0.433E-02 0.322E-01 DAV: 13 -0.319080949995E+04 0.11509E-02 -0.61279E-04 2385 0.341E-02 0.315E-01 DAV: 14 -0.319080846001E+04 0.10399E-02 -0.27534E-04 2313 0.226E-02 0.314E-01 DAV: 15 -0.319080718433E+04 0.12757E-02 0.24882E-04 2313 0.184E-02 0.298E-01 DAV: 16 -0.319080718942E+04 -0.50905E-05 -0.60830E-05 2025 0.729E-03 54 F= -.31908072E+04 E0= -.31907604E+04 d E =-.129921E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319089725791E+04 -0.90074E-01 -0.51987E+01 1980 0.815E+00 0.170E+00 DAV: 2 -0.319110548626E+04 -0.20823E+00 -0.21205E+00 2331 0.124E+00 0.429E+00 DAV: 3 -0.319098799194E+04 0.11749E+00 -0.11496E+00 2250 0.443E-01 0.135E+00 DAV: 4 -0.319102090425E+04 -0.32912E-01 -0.61527E-02 2403 0.292E-01 0.193E+00 DAV: 5 -0.319099301459E+04 0.27890E-01 -0.16000E-01 2340 0.240E-01 0.878E-01 DAV: 6 -0.319100567280E+04 -0.12658E-01 -0.14024E-01 2421 0.226E-01 0.147E+00 DAV: 7 -0.319098954540E+04 0.16127E-01 -0.57546E-02 2367 0.193E-01 0.120E+00 DAV: 8 -0.319098985761E+04 -0.31221E-03 -0.37825E-02 2268 0.118E-01 0.855E-01 DAV: 9 -0.319098748847E+04 0.23691E-02 -0.21519E-02 2331 0.107E-01 0.894E-01 DAV: 10 -0.319098565037E+04 0.18381E-02 -0.29301E-02 2169 0.589E-02 0.412E-01 DAV: 11 -0.319098670839E+04 -0.10580E-02 -0.16832E-03 2097 0.402E-02 0.345E-01 DAV: 12 -0.319098625912E+04 0.44927E-03 -0.40638E-04 2313 0.249E-02 0.302E-01 DAV: 13 -0.319098589904E+04 0.36008E-03 -0.35674E-04 2376 0.201E-02 0.222E-01 DAV: 14 -0.319098570046E+04 0.19858E-03 -0.25671E-04 2286 0.178E-02 0.109E-01 DAV: 15 -0.319098569822E+04 0.22394E-05 -0.11307E-04 1953 0.121E-02 0.381E-02 DAV: 16 -0.319098573077E+04 -0.32555E-04 -0.39247E-05 1944 0.751E-03 0.218E-02 DAV: 17 -0.319098574085E+04 -0.10081E-04 -0.15078E-05 1548 0.517E-03 0.123E-02 DAV: 18 -0.319098574525E+04 -0.43940E-05 -0.60861E-06 1503 0.335E-03 55 F= -.31909857E+04 E0= -.31909418E+04 d E =-.147777E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319182163163E+04 -0.83589E+00 -0.23580E+02 1980 0.172E+01 0.362E+00 DAV: 2 -0.319267749570E+04 -0.85586E+00 -0.87669E+00 2349 0.263E+00 0.791E+00 DAV: 3 -0.319231509690E+04 0.36240E+00 -0.53037E+00 2286 0.938E-01 0.264E+00 DAV: 4 -0.319237885527E+04 -0.63758E-01 -0.52887E-01 2556 0.596E-01 0.380E+00 DAV: 5 -0.319227768723E+04 0.10117E+00 -0.77175E-01 2457 0.479E-01 0.170E+00 DAV: 6 -0.319230917284E+04 -0.31486E-01 -0.46704E-01 2394 0.443E-01 0.214E+00 DAV: 7 -0.319227047694E+04 0.38696E-01 -0.32334E-01 2403 0.377E-01 0.113E+00 DAV: 8 -0.319226207543E+04 0.84015E-02 -0.61808E-02 2349 0.226E-01 0.514E-01 DAV: 9 -0.319226212807E+04 -0.52646E-04 -0.11747E-02 2286 0.124E-01 0.518E-01 DAV: 10 -0.319226065586E+04 0.14722E-02 -0.87302E-03 2304 0.782E-02 0.341E-01 DAV: 11 -0.319225997318E+04 0.68268E-03 -0.26302E-03 2286 0.570E-02 0.144E-01 DAV: 12 -0.319225997908E+04 -0.59014E-05 -0.12240E-03 2322 0.395E-02 0.136E-01 DAV: 13 -0.319225980759E+04 0.17149E-03 -0.83899E-04 2295 0.281E-02 0.111E-01 DAV: 14 -0.319225972267E+04 0.84918E-04 -0.30923E-04 2313 0.181E-02 0.632E-02 DAV: 15 -0.319225962489E+04 0.97785E-04 -0.78817E-05 2313 0.122E-02 0.633E-02 DAV: 16 -0.319225955370E+04 0.71189E-04 -0.10924E-05 1899 0.699E-03 0.670E-02 DAV: 17 -0.319225957485E+04 -0.21152E-04 -0.66849E-06 1431 0.315E-03 0.641E-02 DAV: 18 -0.319225969111E+04 -0.11626E-03 0.88397E-05 1764 0.107E-02 0.557E-02 DAV: 19 -0.319225986894E+04 -0.17784E-03 -0.17448E-04 2286 0.169E-02 0.564E-02 DAV: 20 -0.319226019700E+04 -0.32806E-03 -0.45275E-04 2385 0.274E-02 0.768E-02 DAV: 21 -0.319226008627E+04 0.11073E-03 -0.17479E-04 2151 0.136E-02 0.714E-02 DAV: 22 -0.319225925414E+04 0.83213E-03 0.15511E-03 2529 0.559E-02 0.948E-02 DAV: 23 -0.319225943983E+04 -0.18569E-03 -0.35437E-04 2160 0.146E-02 0.718E-02 DAV: 24 -0.319225908533E+04 0.35450E-03 -0.19135E-05 2259 0.171E-02 0.112E-01 DAV: 25 -0.319225900953E+04 0.75804E-04 -0.44511E-05 2016 0.677E-03 0.122E-01 DAV: 26 -0.319225934301E+04 -0.33348E-03 -0.35065E-05 2241 0.190E-02 0.963E-02 DAV: 27 -0.319225980212E+04 -0.45912E-03 0.11458E-03 2448 0.321E-02 0.781E-02 DAV: 28 -0.319226020296E+04 -0.40084E-03 -0.59269E-04 2412 0.299E-02 0.927E-02 DAV: 29 -0.319226021941E+04 -0.16450E-04 -0.14887E-04 2160 0.105E-02 0.968E-02 DAV: 30 -0.319226015058E+04 0.68836E-04 -0.20019E-05 1539 0.554E-03 0.932E-02 DAV: 31 -0.319226018461E+04 -0.34029E-04 -0.58693E-06 1224 0.296E-03 0.932E-02 DAV: 32 -0.319226018243E+04 0.21803E-05 -0.77842E-07 1080 0.648E-04 56 F= -.31922602E+04 E0= -.31921978E+04 d E =-.127444E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319230093442E+04 -0.40750E-01 -0.22849E+01 1980 0.535E+00 0.111E+00 DAV: 2 -0.319238735089E+04 -0.86416E-01 -0.74135E-01 2340 0.827E-01 0.218E+00 DAV: 3 -0.319234948085E+04 0.37870E-01 -0.13001E-01 2322 0.333E-01 0.106E+00 DAV: 4 -0.319234871359E+04 0.76726E-03 -0.29862E-02 2313 0.190E-01 0.898E-01 DAV: 5 -0.319234486488E+04 0.38487E-02 -0.34765E-02 2394 0.152E-01 0.754E-01 DAV: 6 -0.319234272766E+04 0.21372E-02 -0.53654E-02 2439 0.129E-01 0.547E-01 DAV: 7 -0.319234317617E+04 -0.44851E-03 -0.20825E-02 2475 0.121E-01 0.562E-01 DAV: 8 -0.319233940403E+04 0.37721E-02 -0.92810E-03 2367 0.885E-02 0.173E-01 DAV: 9 -0.319233897596E+04 0.42807E-03 -0.71706E-04 2259 0.341E-02 0.163E-01 DAV: 10 -0.319233897666E+04 -0.70222E-06 -0.13661E-04 2232 0.107E-02 0.163E-01 DAV: 11 -0.319233907803E+04 -0.10137E-03 -0.31234E-05 1647 0.794E-03 0.156E-01 DAV: 12 -0.319233999493E+04 -0.91690E-03 -0.93329E-04 2349 0.393E-02 0.228E-01 DAV: 13 -0.319234086044E+04 -0.86551E-03 -0.20140E-03 2331 0.553E-02 0.225E-01 DAV: 14 -0.319234145323E+04 -0.59279E-03 -0.40952E-04 2313 0.387E-02 0.255E-01 DAV: 15 -0.319234142540E+04 0.27831E-04 -0.20827E-04 2232 0.150E-02 0.241E-01 DAV: 16 -0.319234140973E+04 0.15672E-04 -0.87858E-05 2178 0.120E-02 0.223E-01 DAV: 17 -0.319234149471E+04 -0.84984E-04 -0.38583E-04 2394 0.239E-02 0.198E-01 DAV: 18 -0.319234180541E+04 -0.31070E-03 -0.38742E-04 2304 0.215E-02 0.212E-01 DAV: 19 -0.319234152701E+04 0.27840E-03 -0.15945E-04 2286 0.148E-02 0.188E-01 DAV: 20 -0.319234109591E+04 0.43109E-03 -0.53924E-04 2493 0.282E-02 0.139E-01 DAV: 21 -0.319234059406E+04 0.50185E-03 -0.65467E-04 2466 0.419E-02 0.106E-01 DAV: 22 -0.319234005657E+04 0.53749E-03 -0.64576E-04 2340 0.399E-02 0.120E-01 DAV: 23 -0.319234018356E+04 -0.12699E-03 -0.19904E-04 2160 0.141E-02 0.102E-01 DAV: 24 -0.319234009136E+04 0.92195E-04 0.25681E-06 1449 0.539E-03 0.110E-01 DAV: 25 -0.319234003617E+04 0.55187E-04 -0.39688E-06 1332 0.309E-03 0.115E-01 DAV: 26 -0.319234027319E+04 -0.23702E-03 0.40146E-05 1809 0.135E-02 0.865E-02 DAV: 27 -0.319234050851E+04 -0.23532E-03 -0.91195E-05 2277 0.178E-02 0.618E-02 DAV: 28 -0.319234075217E+04 -0.24366E-03 0.18274E-04 2376 0.253E-02 0.484E-02 DAV: 29 -0.319234087363E+04 -0.12146E-03 -0.15280E-04 2268 0.121E-02 0.505E-02 DAV: 30 -0.319234100163E+04 -0.12800E-03 -0.77966E-05 1836 0.127E-02 0.562E-02 DAV: 31 -0.319234136288E+04 -0.36125E-03 -0.43701E-04 2367 0.289E-02 0.879E-02 DAV: 32 -0.319234149642E+04 -0.13354E-03 -0.21049E-04 2268 0.117E-02 0.103E-01 DAV: 33 -0.319234150061E+04 -0.41927E-05 -0.59214E-06 1242 0.194E-03 57 F= -.31923415E+04 E0= -.31922781E+04 d E =-.135576E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319313195962E+04 -0.79046E+00 -0.21015E+02 1980 0.162E+01 0.339E+00 DAV: 2 -0.319372891171E+04 -0.59695E+00 -0.61416E+00 2331 0.242E+00 0.534E+00 DAV: 3 -0.319356842850E+04 0.16048E+00 -0.22263E+00 2403 0.911E-01 0.292E+00 DAV: 4 -0.319350860560E+04 0.59823E-01 -0.36098E-01 2340 0.485E-01 0.171E+00 DAV: 5 -0.319352359426E+04 -0.14989E-01 -0.30015E-01 2457 0.456E-01 0.222E+00 DAV: 6 -0.319352469975E+04 -0.11055E-02 -0.26996E-01 2484 0.413E-01 0.219E+00 DAV: 7 -0.319348866044E+04 0.36039E-01 -0.46043E-01 2484 0.366E-01 0.106E+00 DAV: 8 -0.319348135015E+04 0.73103E-02 -0.50394E-02 2304 0.205E-01 0.526E-01 DAV: 9 -0.319348076574E+04 0.58441E-03 -0.71458E-03 2349 0.994E-02 0.397E-01 DAV: 10 -0.319347947662E+04 0.12891E-02 -0.36814E-03 2322 0.659E-02 0.153E-01 DAV: 11 -0.319347966325E+04 -0.18662E-03 -0.19967E-03 2349 0.413E-02 0.185E-01 DAV: 12 -0.319347946998E+04 0.19327E-03 -0.19290E-03 2367 0.333E-02 0.115E-01 DAV: 13 -0.319347933758E+04 0.13240E-03 -0.43551E-04 2304 0.235E-02 0.311E-02 DAV: 14 -0.319347934407E+04 -0.64963E-05 -0.10386E-04 2304 0.125E-02 0.250E-02 DAV: 15 -0.319347933560E+04 0.84773E-05 -0.30053E-05 1611 0.725E-03 58 F= -.31934793E+04 E0= -.31934204E+04 d E =-.113783E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319353143419E+04 -0.52090E-01 -0.55533E+01 1980 0.836E+00 0.173E+00 DAV: 2 -0.319369433973E+04 -0.16291E+00 -0.16384E+00 2313 0.125E+00 0.281E+00 DAV: 3 -0.319364688954E+04 0.47450E-01 -0.66125E-01 2385 0.487E-01 0.165E+00 DAV: 4 -0.319363585655E+04 0.11033E-01 -0.10716E-01 2358 0.271E-01 0.111E+00 DAV: 5 -0.319363094741E+04 0.49091E-02 -0.59711E-02 2376 0.240E-01 0.981E-01 DAV: 6 -0.319363667533E+04 -0.57279E-02 -0.29234E-02 2475 0.213E-01 0.121E+00 DAV: 7 -0.319362781444E+04 0.88609E-02 -0.54607E-02 2439 0.196E-01 0.670E-01 DAV: 8 -0.319362415357E+04 0.36609E-02 -0.14660E-02 2349 0.128E-01 0.347E-01 DAV: 9 -0.319362358005E+04 0.57352E-03 -0.28224E-03 2340 0.612E-02 0.175E-01 DAV: 10 -0.319362339449E+04 0.18556E-03 -0.90864E-04 2214 0.328E-02 0.834E-02 DAV: 11 -0.319362344821E+04 -0.53724E-04 -0.83112E-04 2430 0.219E-02 0.108E-01 DAV: 12 -0.319362334573E+04 0.10249E-03 -0.45996E-04 2295 0.182E-02 0.370E-02 DAV: 13 -0.319362333700E+04 0.87304E-05 -0.53159E-05 2079 0.106E-02 59 F= -.31936233E+04 E0= -.31935656E+04 d E =-.128184E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319434781984E+04 -0.72447E+00 -0.17930E+02 1980 0.150E+01 0.298E+00 DAV: 2 -0.319481404411E+04 -0.46622E+00 -0.47754E+00 2331 0.216E+00 0.399E+00 DAV: 3 -0.319474287682E+04 0.71167E-01 -0.17196E+00 2439 0.761E-01 0.284E+00 DAV: 4 -0.319467726550E+04 0.65611E-01 -0.33484E-01 2349 0.449E-01 0.158E+00 DAV: 5 -0.319469851781E+04 -0.21252E-01 -0.20789E-01 2484 0.383E-01 0.212E+00 DAV: 6 -0.319469225968E+04 0.62581E-02 -0.16176E-01 2547 0.365E-01 0.179E+00 DAV: 7 -0.319466268292E+04 0.29577E-01 -0.30041E-01 2475 0.324E-01 0.817E-01 DAV: 8 -0.319466291352E+04 -0.23060E-03 -0.41947E-02 2385 0.158E-01 0.747E-01 DAV: 9 -0.319465870373E+04 0.42098E-02 -0.19644E-02 2376 0.107E-01 0.218E-01 DAV: 10 -0.319465880800E+04 -0.10427E-03 -0.26675E-03 2322 0.589E-02 0.211E-01 DAV: 11 -0.319465857033E+04 0.23768E-03 -0.11964E-03 2358 0.415E-02 0.148E-01 DAV: 12 -0.319465841231E+04 0.15802E-03 -0.40165E-04 2277 0.265E-02 0.491E-02 DAV: 13 -0.319465840944E+04 0.28641E-05 -0.14974E-04 2331 0.153E-02 0.255E-02 DAV: 14 -0.319465841194E+04 -0.25032E-05 -0.39421E-05 1863 0.842E-03 60 F= -.31946584E+04 E0= -.31946022E+04 d E =-.103507E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319469999951E+04 -0.41590E-01 -0.14641E+02 1980 0.135E+01 0.266E+00 DAV: 2 -0.319508429080E+04 -0.38429E+00 -0.38669E+00 2322 0.193E+00 0.369E+00 DAV: 3 -0.319501972391E+04 0.64567E-01 -0.13852E+00 2466 0.663E-01 0.257E+00 DAV: 4 -0.319496653111E+04 0.53193E-01 -0.18822E-01 2313 0.395E-01 0.128E+00 DAV: 5 -0.319499211450E+04 -0.25583E-01 -0.23400E-01 2484 0.366E-01 0.201E+00 DAV: 6 -0.319498101907E+04 0.11095E-01 -0.10433E-01 2538 0.329E-01 0.163E+00 DAV: 7 -0.319495634787E+04 0.24671E-01 -0.26078E-01 2502 0.282E-01 0.576E-01 DAV: 8 -0.319495667181E+04 -0.32394E-03 -0.15976E-02 2286 0.128E-01 0.505E-01 DAV: 9 -0.319495497235E+04 0.16995E-02 -0.10482E-02 2376 0.810E-02 0.226E-01 DAV: 10 -0.319495477571E+04 0.19664E-03 -0.29457E-03 2331 0.514E-02 0.169E-01 DAV: 11 -0.319495469398E+04 0.81727E-04 -0.13568E-03 2358 0.367E-02 0.143E-01 DAV: 12 -0.319495453562E+04 0.15836E-03 -0.39132E-04 2295 0.239E-02 0.405E-02 DAV: 13 -0.319495454065E+04 -0.50338E-05 -0.12328E-04 2322 0.135E-02 0.216E-02 DAV: 14 -0.319495454600E+04 -0.53456E-05 -0.31685E-05 1647 0.745E-03 61 F= -.31949545E+04 E0= -.31949057E+04 d E =-.133121E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319566960077E+04 -0.71506E+00 -0.21036E+02 1980 0.161E+01 0.315E+00 DAV: 2 -0.319618060068E+04 -0.51100E+00 -0.56281E+00 2358 0.228E+00 0.371E+00 DAV: 3 -0.319616003890E+04 0.20562E-01 -0.11177E+00 2475 0.795E-01 0.341E+00 DAV: 4 -0.319606753035E+04 0.92509E-01 -0.48480E-01 2358 0.518E-01 0.211E+00 DAV: 5 -0.319606474740E+04 0.27829E-02 -0.40471E-01 2502 0.404E-01 0.193E+00 DAV: 6 -0.319606904200E+04 -0.42946E-02 -0.41748E-01 2475 0.370E-01 0.183E+00 DAV: 7 -0.319604219978E+04 0.26842E-01 -0.14207E-01 2493 0.310E-01 0.101E+00 DAV: 8 -0.319603754304E+04 0.46567E-02 -0.44099E-02 2295 0.167E-01 0.424E-01 DAV: 9 -0.319603657823E+04 0.96481E-03 -0.13962E-02 2349 0.101E-01 0.264E-01 DAV: 10 -0.319603656711E+04 0.11112E-04 -0.58960E-03 2376 0.634E-02 0.261E-01 DAV: 11 -0.319603597195E+04 0.59516E-03 -0.36930E-03 2412 0.500E-02 0.128E-01 DAV: 12 -0.319603588285E+04 0.89102E-04 -0.48970E-04 2196 0.244E-02 0.424E-02 DAV: 13 -0.319603588764E+04 -0.47902E-05 -0.12334E-04 2340 0.146E-02 0.230E-02 DAV: 14 -0.319603588924E+04 -0.16010E-05 -0.38445E-05 2025 0.880E-03 62 F= -.31960359E+04 E0= -.31959877E+04 d E =-.108134E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.319602207940E+04 0.13808E-01 -0.22846E+02 1980 0.169E+01 0.331E+00 DAV: 2 -0.319659688950E+04 -0.57481E+00 -0.63157E+00 2367 0.239E+00 0.386E+00 DAV: 3 -0.319657269839E+04 0.24191E-01 -0.12232E+00 2466 0.836E-01 0.355E+00 DAV: 4 -0.319647022794E+04 0.10247E+00 -0.51739E-01 2403 0.549E-01 0.220E+00 DAV: 5 -0.319646745016E+04 0.27778E-02 -0.51498E-01 2511 0.427E-01 0.204E+00 DAV: 6 -0.319646986290E+04 -0.24127E-02 -0.46120E-01 2493 0.387E-01 0.188E+00 DAV: 7 -0.319644382334E+04 0.26040E-01 -0.16268E-01 2493 0.330E-01 0.115E+00 DAV: 8 -0.319643659755E+04 0.72258E-02 -0.56555E-02 2304 0.178E-01 0.439E-01 DAV: 9 -0.319643561558E+04 0.98197E-03 -0.16824E-02 2358 0.108E-01 0.262E-01 DAV: 10 -0.319643575210E+04 -0.13652E-03 -0.64515E-03 2412 0.674E-02 0.287E-01 DAV: 11 -0.319643506810E+04 0.68400E-03 -0.44081E-03 2430 0.539E-02 0.145E-01 DAV: 12 -0.319643495356E+04 0.11454E-03 -0.54444E-04 2232 0.263E-02 0.519E-02 DAV: 13 -0.319643494102E+04 0.12546E-04 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E dE d eps ncg rms rms(c) DAV: 1 -0.319759233823E+04 0.73804E-01 -0.23711E+02 1980 0.172E+01 0.335E+00 DAV: 2 -0.319808607987E+04 -0.49374E+00 -0.58842E+00 2313 0.238E+00 0.268E+00 DAV: 3 -0.319818960884E+04 -0.10353E+00 -0.11229E+00 2493 0.716E-01 0.374E+00 DAV: 4 -0.319802157361E+04 0.16804E+00 -0.37736E-01 2421 0.519E-01 0.143E+00 DAV: 5 -0.319808533152E+04 -0.63758E-01 -0.28099E-01 2565 0.427E-01 0.292E+00 DAV: 6 -0.319802856924E+04 0.56762E-01 -0.39834E-01 2484 0.402E-01 0.122E+00 DAV: 7 -0.319802094719E+04 0.76221E-02 -0.87140E-02 2367 0.266E-01 0.589E-01 DAV: 8 -0.319801800337E+04 0.29438E-02 -0.26934E-02 2295 0.148E-01 0.400E-01 DAV: 9 -0.319801773754E+04 0.26583E-03 -0.88265E-03 2376 0.918E-02 0.404E-01 DAV: 10 -0.319801555063E+04 0.21869E-02 -0.32321E-03 2304 0.689E-02 0.167E-01 DAV: 11 -0.319801469887E+04 0.85176E-03 -0.11327E-03 2268 0.350E-02 0.139E-01 DAV: 12 -0.319801440821E+04 0.29066E-03 -0.14928E-03 2448 0.302E-02 0.221E-01 DAV: 13 -0.319801408041E+04 0.32779E-03 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0.719E-02 0.339E-01 DAV: 12 -0.319970966365E+04 0.82688E-03 -0.40671E-03 2277 0.462E-02 0.225E-01 DAV: 13 -0.319970931478E+04 0.34887E-03 -0.17869E-03 2295 0.361E-02 0.208E-01 DAV: 14 -0.319970899233E+04 0.32245E-03 -0.67582E-04 2412 0.271E-02 0.190E-01 DAV: 15 -0.319970865602E+04 0.33631E-03 -0.18208E-04 2277 0.149E-02 0.189E-01 DAV: 16 -0.319970822034E+04 0.43568E-03 -0.34997E-05 1845 0.115E-02 0.204E-01 DAV: 17 -0.319970820389E+04 0.16448E-04 -0.23407E-05 1539 0.423E-03 0.201E-01 DAV: 18 -0.319970804186E+04 0.16203E-03 -0.11110E-05 1485 0.642E-03 0.207E-01 DAV: 19 -0.319970855813E+04 -0.51627E-03 -0.65061E-05 2268 0.192E-02 0.187E-01 DAV: 20 -0.319970981518E+04 -0.12570E-02 0.10093E-03 2592 0.490E-02 0.160E-01 DAV: 21 -0.319971014478E+04 -0.32960E-03 -0.26943E-04 2223 0.181E-02 0.159E-01 DAV: 22 -0.319971007338E+04 0.71401E-04 0.48467E-05 1593 0.591E-03 0.171E-01 DAV: 23 -0.319970976390E+04 0.30948E-03 0.33384E-04 2070 0.124E-02 0.192E-01 DAV: 24 -0.319971001783E+04 -0.25393E-03 0.52998E-04 2124 0.143E-02 0.153E-01 DAV: 25 -0.319971042628E+04 -0.40845E-03 0.78738E-04 2376 0.263E-02 0.115E-01 DAV: 26 -0.319971125434E+04 -0.82807E-03 -0.18785E-04 2430 0.386E-02 0.143E-01 DAV: 27 -0.319971128190E+04 -0.27551E-04 -0.22814E-04 2160 0.123E-02 0.147E-01 DAV: 28 -0.319971128975E+04 -0.78531E-05 -0.58652E-06 1476 0.167E-03 67 F= -.31997113E+04 E0= -.31996580E+04 d E =-.169849E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320044937733E+04 -0.73810E+00 -0.32685E+02 1980 0.201E+01 0.427E+00 DAV: 2 -0.320130914895E+04 -0.85977E+00 -0.11403E+01 2367 0.309E+00 0.425E+00 DAV: 3 -0.320116909708E+04 0.14005E+00 -0.25323E+00 2367 0.131E+00 0.373E+00 DAV: 4 -0.320100743645E+04 0.16166E+00 -0.94017E-01 2394 0.734E-01 0.232E+00 DAV: 5 -0.320105069352E+04 -0.43257E-01 -0.55713E-01 2421 0.596E-01 0.280E+00 DAV: 6 -0.320099495274E+04 0.55741E-01 -0.20220E-01 2349 0.486E-01 0.190E+00 DAV: 7 -0.320100002797E+04 -0.50752E-02 -0.53429E-01 2448 0.377E-01 0.188E+00 DAV: 8 -0.320098378047E+04 0.16247E-01 -0.18219E-01 2358 0.268E-01 0.240E+00 DAV: 9 -0.320096611853E+04 0.17662E-01 -0.13782E-01 2142 0.119E-01 0.636E-01 DAV: 10 -0.320097234975E+04 -0.62312E-02 -0.15721E-02 2430 0.110E-01 0.514E-01 DAV: 11 -0.320097080665E+04 0.15431E-02 -0.74276E-03 2331 0.825E-02 0.265E-01 DAV: 12 -0.320097033821E+04 0.46844E-03 -0.23815E-03 2250 0.482E-02 0.155E-01 DAV: 13 -0.320097027610E+04 0.62117E-04 -0.12844E-03 2349 0.268E-02 0.119E-01 DAV: 14 -0.320097029060E+04 -0.14504E-04 -0.71881E-04 2331 0.254E-02 0.125E-01 DAV: 15 -0.320097021308E+04 0.77525E-04 -0.24515E-04 2304 0.181E-02 0.107E-01 DAV: 16 -0.320097018555E+04 0.27523E-04 -0.90927E-05 2061 0.821E-03 0.430E-02 DAV: 17 -0.320097020964E+04 -0.24087E-04 -0.21110E-05 1503 0.578E-03 0.166E-02 DAV: 18 -0.320097022475E+04 -0.15111E-04 -0.11655E-05 1503 0.410E-03 0.616E-03 DAV: 19 -0.320097023263E+04 -0.78802E-05 -0.58516E-06 1494 0.256E-03 68 F= -.32009702E+04 E0= -.32009348E+04 d E =-.125894E+01 N E dE d eps ncg rms rms(c) DAV: 1 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-0.320827910073E+04 0.36473E-01 -0.10468E+00 2205 0.193E-01 0.762E-01 DAV: 4 -0.320829668386E+04 -0.17583E-01 -0.24825E-02 2304 0.152E-01 0.936E-01 DAV: 5 -0.320829114014E+04 0.55437E-02 -0.24498E-02 2187 0.121E-01 0.708E-01 DAV: 6 -0.320829082383E+04 0.31630E-03 -0.27947E-02 2457 0.103E-01 0.922E-01 DAV: 7 -0.320828267597E+04 0.81479E-02 -0.33229E-02 2439 0.988E-02 0.794E-01 DAV: 8 -0.320827831024E+04 0.43657E-02 -0.50818E-03 2322 0.581E-02 0.558E-01 DAV: 9 -0.320827830178E+04 0.84528E-05 -0.42305E-04 2160 0.195E-02 0.521E-01 DAV: 10 -0.320827831932E+04 -0.17533E-04 -0.12779E-05 1575 0.359E-03 0.517E-01 DAV: 11 -0.320827807641E+04 0.24291E-03 -0.95608E-05 1746 0.880E-03 0.510E-01 DAV: 12 -0.320827717699E+04 0.89941E-03 -0.50915E-04 2331 0.141E-02 0.434E-01 DAV: 13 -0.320827578440E+04 0.13926E-02 -0.15097E-03 2367 0.281E-02 0.156E-01 DAV: 14 -0.320827662149E+04 -0.83709E-03 -0.29629E-03 2358 0.316E-02 0.632E-01 DAV: 15 -0.320827550344E+04 0.11180E-02 -0.23266E-03 2142 0.290E-02 0.939E-02 DAV: 16 -0.320827592784E+04 -0.42440E-03 -0.88601E-04 2313 0.206E-02 0.242E-01 DAV: 17 -0.320827629532E+04 -0.36748E-03 -0.44836E-04 2142 0.162E-02 0.371E-01 DAV: 18 -0.320827559579E+04 0.69953E-03 -0.40864E-04 2277 0.139E-02 0.151E-01 DAV: 19 -0.320827557032E+04 0.25463E-04 -0.20481E-04 2268 0.905E-03 0.281E-02 DAV: 20 -0.320827560508E+04 -0.34761E-04 -0.15755E-05 1485 0.468E-03 0.494E-02 DAV: 21 -0.320827560052E+04 0.45626E-05 -0.32526E-05 1539 0.436E-03 81 F= -.32082756E+04 E0= -.32082378E+04 d E =-.100719E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.320859597452E+04 -0.32037E+00 -0.29809E+02 1980 0.192E+01 0.411E+00 DAV: 2 -0.320938461325E+04 -0.78864E+00 -0.92148E+00 2340 0.273E+00 0.660E+00 DAV: 3 -0.320924544258E+04 0.13917E+00 -0.41600E+00 2304 0.867E-01 0.329E+00 DAV: 4 -0.320928168586E+04 -0.36243E-01 -0.12516E+00 2403 0.680E-01 0.415E+00 DAV: 5 -0.320916012399E+04 0.12156E+00 -0.50730E-01 2421 0.543E-01 0.208E+00 DAV: 6 -0.320919805315E+04 -0.37929E-01 -0.21585E-01 2466 0.506E-01 0.227E+00 DAV: 7 -0.320914824999E+04 0.49803E-01 -0.17053E-01 2385 0.421E-01 0.137E+00 DAV: 8 -0.320913066113E+04 0.17589E-01 -0.11377E-01 2313 0.232E-01 0.724E-01 DAV: 9 -0.320912767026E+04 0.29909E-02 -0.34189E-02 2358 0.142E-01 0.845E-01 DAV: 10 -0.320911698167E+04 0.10689E-01 -0.12030E-02 2277 0.105E-01 0.462E-01 DAV: 11 -0.320911619847E+04 0.78320E-03 -0.93318E-03 2331 0.632E-02 0.894E-01 DAV: 12 -0.320911735266E+04 -0.11542E-02 -0.15738E-02 2241 0.576E-02 0.632E-01 DAV: 13 -0.320911827504E+04 -0.92238E-03 -0.33359E-03 2070 0.455E-02 0.677E-01 DAV: 14 -0.320911704092E+04 0.12341E-02 -0.41324E-03 2313 0.479E-02 0.728E-01 DAV: 15 -0.320911303774E+04 0.40032E-02 -0.37696E-03 2421 0.487E-02 0.181E-01 DAV: 16 -0.320911367502E+04 -0.63728E-03 -0.50678E-04 2124 0.203E-02 0.149E-01 DAV: 17 -0.320911370304E+04 -0.28019E-04 -0.15725E-04 2124 0.966E-03 0.912E-02 DAV: 18 -0.320911374868E+04 -0.45647E-04 -0.21553E-04 2142 0.135E-02 0.843E-02 DAV: 19 -0.320911390155E+04 -0.15287E-03 -0.40499E-04 1737 0.868E-03 0.213E-01 DAV: 20 -0.320911373094E+04 0.17062E-03 -0.18377E-04 1440 0.762E-03 0.222E-02 DAV: 21 -0.320911375198E+04 -0.21047E-04 -0.19790E-05 1521 0.493E-03 0.201E-02 DAV: 22 -0.320911375631E+04 -0.43250E-05 -0.80268E-06 1494 0.368E-03 82 F= -.32091138E+04 E0= -.32090745E+04 d E =-.838156E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320911508528E+04 -0.13333E-02 -0.15052E+00 1998 0.137E+00 0.286E-01 DAV: 2 -0.320911901016E+04 -0.39249E-02 -0.39417E-02 2358 0.193E-01 0.437E-01 DAV: 3 -0.320911916416E+04 -0.15400E-03 -0.11051E-02 2322 0.654E-02 0.607E-01 DAV: 4 -0.320911860953E+04 0.55464E-03 -0.58612E-03 2259 0.374E-02 0.580E-01 DAV: 5 -0.320911796384E+04 0.64569E-03 -0.44099E-03 2340 0.433E-02 0.302E-01 DAV: 6 -0.320911770965E+04 0.25419E-03 -0.38214E-03 2313 0.367E-02 0.171E-01 DAV: 7 -0.320911781012E+04 -0.10047E-03 -0.37408E-03 2466 0.343E-02 0.163E-01 DAV: 8 -0.320911754745E+04 0.26267E-03 -0.13077E-03 2421 0.250E-02 0.880E-02 DAV: 9 -0.320911756412E+04 -0.16668E-04 -0.27375E-04 2304 0.122E-02 0.718E-02 DAV: 10 -0.320911753570E+04 0.28420E-04 -0.11450E-04 1566 0.786E-03 0.189E-02 DAV: 11 -0.320911753832E+04 -0.26251E-05 -0.32124E-05 1314 0.503E-03 83 F= -.32091175E+04 E0= -.32090783E+04 d E =-.841938E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320923042194E+04 -0.11289E+00 -0.26766E+02 1980 0.182E+01 0.390E+00 DAV: 2 -0.320990355117E+04 -0.67313E+00 -0.80137E+00 2340 0.258E+00 0.462E+00 DAV: 3 -0.320986612774E+04 0.37423E-01 -0.14442E+00 2466 0.919E-01 0.368E+00 DAV: 4 -0.320978306378E+04 0.83064E-01 -0.52746E-01 2412 0.626E-01 0.279E+00 DAV: 5 -0.320974548286E+04 0.37581E-01 -0.93408E-01 2439 0.508E-01 0.225E+00 DAV: 6 -0.320975482752E+04 -0.93447E-02 -0.48544E-01 2457 0.449E-01 0.251E+00 DAV: 7 -0.320973323465E+04 0.21593E-01 -0.36801E-01 2349 0.334E-01 0.952E-01 DAV: 8 -0.320972545549E+04 0.77792E-02 -0.51591E-02 2394 0.186E-01 0.834E-01 DAV: 9 -0.320971933423E+04 0.61213E-02 -0.23627E-02 2259 0.118E-01 0.965E-01 DAV: 10 -0.320970999497E+04 0.93393E-02 -0.11964E-02 2313 0.773E-02 0.436E-01 DAV: 11 -0.320971096942E+04 -0.97445E-03 -0.11487E-02 2376 0.785E-02 0.992E-01 DAV: 12 -0.320970998004E+04 0.98938E-03 -0.14059E-02 2250 0.609E-02 0.551E-01 DAV: 13 -0.320971132504E+04 -0.13450E-02 -0.19796E-03 2043 0.391E-02 0.667E-01 DAV: 14 -0.320970935958E+04 0.19655E-02 -0.13897E-03 2124 0.249E-02 0.413E-01 DAV: 15 -0.320970899075E+04 0.36883E-03 -0.92568E-04 2340 0.214E-02 0.203E-01 DAV: 16 -0.320970895805E+04 0.32704E-04 -0.55260E-04 2259 0.178E-02 0.153E-01 DAV: 17 -0.320970890882E+04 0.49232E-04 -0.12679E-04 2178 0.981E-03 0.295E-02 DAV: 18 -0.320970893719E+04 -0.28376E-04 -0.24109E-05 1485 0.564E-03 0.228E-02 DAV: 19 -0.320970895123E+04 -0.14040E-04 -0.26019E-05 1503 0.362E-03 0.472E-02 DAV: 20 -0.320970894438E+04 0.68478E-05 -0.14054E-05 1512 0.300E-03 84 F= -.32097089E+04 E0= -.32096707E+04 d E =-.591406E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.320971007063E+04 -0.11194E-02 -0.14142E+00 1980 0.132E+00 0.277E-01 DAV: 2 -0.320971344444E+04 -0.33738E-02 -0.36711E-02 2358 0.185E-01 0.336E-01 DAV: 3 -0.320971352482E+04 -0.80383E-04 -0.99984E-03 2430 0.639E-02 0.483E-01 DAV: 4 -0.320971394858E+04 -0.42375E-03 -0.57985E-03 2277 0.373E-02 0.595E-01 DAV: 5 -0.320971256123E+04 0.13873E-02 -0.38804E-03 2277 0.345E-02 0.222E-01 DAV: 6 -0.320971264859E+04 -0.87360E-04 -0.20407E-03 2502 0.354E-02 0.184E-01 DAV: 7 -0.320971270860E+04 -0.60014E-04 -0.33527E-03 2466 0.332E-02 0.174E-01 DAV: 8 -0.320971245336E+04 0.25524E-03 -0.19866E-03 2376 0.245E-02 0.766E-02 DAV: 9 -0.320971244742E+04 0.59387E-05 -0.41452E-04 2250 0.154E-02 0.483E-02 DAV: 10 -0.320971243126E+04 0.16166E-04 -0.86762E-05 1854 0.923E-03 0.220E-02 DAV: 11 -0.320971242815E+04 0.31017E-05 -0.18865E-05 1260 0.483E-03 85 F= -.32097124E+04 E0= -.32096741E+04 d E =-.594890E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321003300157E+04 -0.32057E+00 -0.17300E+02 1980 0.147E+01 0.309E+00 DAV: 2 -0.321049770260E+04 -0.46470E+00 -0.48809E+00 2358 0.208E+00 0.469E+00 DAV: 3 -0.321038392314E+04 0.11378E+00 -0.14974E+00 2430 0.738E-01 0.263E+00 DAV: 4 -0.321036523865E+04 0.18684E-01 -0.58470E-01 2313 0.427E-01 0.216E+00 DAV: 5 -0.321033448228E+04 0.30756E-01 -0.32334E-01 2448 0.373E-01 0.167E+00 DAV: 6 -0.321034339720E+04 -0.89149E-02 -0.17502E-01 2322 0.300E-01 0.117E+00 DAV: 7 -0.321032891601E+04 0.14481E-01 -0.15392E-01 2484 0.209E-01 0.104E+00 DAV: 8 -0.321032292792E+04 0.59881E-02 -0.57254E-02 2277 0.118E-01 0.671E-01 DAV: 9 -0.321032188229E+04 0.10456E-02 -0.20591E-02 2322 0.876E-02 0.499E-01 DAV: 10 -0.321032071169E+04 0.11706E-02 -0.66695E-03 2250 0.573E-02 0.289E-01 DAV: 11 -0.321032111375E+04 -0.40207E-03 -0.25788E-03 2484 0.457E-02 0.280E-01 DAV: 12 -0.321032070339E+04 0.41037E-03 -0.17432E-03 2331 0.397E-02 0.240E-01 DAV: 13 -0.321032043922E+04 0.26417E-03 -0.92610E-04 2295 0.247E-02 0.672E-02 DAV: 14 -0.321032051348E+04 -0.74267E-04 -0.38666E-04 2331 0.160E-02 0.117E-01 DAV: 15 -0.321032045178E+04 0.61708E-04 -0.17292E-04 1953 0.116E-02 0.540E-02 DAV: 16 -0.321032046401E+04 -0.12230E-04 -0.77550E-05 1674 0.686E-03 0.490E-02 DAV: 17 -0.321032046479E+04 -0.78345E-06 -0.20503E-05 1503 0.418E-03 86 F= -.32103205E+04 E0= -.32102855E+04 d E =-.608037E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321032782667E+04 -0.73627E-02 -0.90426E+00 1980 0.336E+00 0.700E-01 DAV: 2 -0.321035277708E+04 -0.24950E-01 -0.25100E-01 2358 0.475E-01 0.116E+00 DAV: 3 -0.321034820003E+04 0.45771E-02 -0.59495E-02 2358 0.166E-01 0.146E+00 DAV: 4 -0.321035038321E+04 -0.21832E-02 -0.41179E-02 2295 0.806E-02 0.104E+00 DAV: 5 -0.321034373380E+04 0.66494E-02 -0.22273E-02 2466 0.920E-02 0.563E-01 DAV: 6 -0.321034425786E+04 -0.52406E-03 -0.20811E-02 2466 0.925E-02 0.550E-01 DAV: 7 -0.321034289533E+04 0.13625E-02 -0.13018E-02 2277 0.778E-02 0.405E-01 DAV: 8 -0.321034269096E+04 0.20438E-03 -0.33379E-03 2250 0.480E-02 0.303E-01 DAV: 9 -0.321034244080E+04 0.25016E-03 -0.16513E-03 2268 0.280E-02 0.120E-01 DAV: 10 -0.321034240856E+04 0.32232E-04 -0.50225E-04 2169 0.172E-02 0.662E-02 DAV: 11 -0.321034241769E+04 -0.91278E-05 -0.13518E-04 2007 0.101E-02 0.614E-02 DAV: 12 -0.321034240244E+04 0.15256E-04 -0.10533E-04 1512 0.750E-03 0.322E-02 DAV: 13 -0.321034239607E+04 0.63610E-05 -0.28764E-05 1494 0.575E-03 87 F= -.32103424E+04 E0= -.32103073E+04 d E =-.629968E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321065105194E+04 -0.30865E+00 -0.15444E+02 1980 0.138E+01 0.283E+00 DAV: 2 -0.321095597784E+04 -0.30493E+00 -0.37243E+00 2340 0.188E+00 0.203E+00 DAV: 3 -0.321101054493E+04 -0.54567E-01 -0.63786E-01 2511 0.567E-01 0.319E+00 DAV: 4 -0.321094364284E+04 0.66902E-01 -0.93104E-01 2394 0.379E-01 0.144E+00 DAV: 5 -0.321095014532E+04 -0.65025E-02 -0.35255E-01 2583 0.338E-01 0.184E+00 DAV: 6 -0.321093360820E+04 0.16537E-01 -0.15026E-01 2394 0.297E-01 0.177E+00 DAV: 7 -0.321093389097E+04 -0.28277E-03 -0.20029E-01 2358 0.242E-01 0.865E-01 DAV: 8 -0.321093070207E+04 0.31889E-02 -0.22857E-02 2286 0.139E-01 0.568E-01 DAV: 9 -0.321092590908E+04 0.47930E-02 -0.32591E-03 2214 0.816E-02 0.652E-01 DAV: 10 -0.321092287772E+04 0.30314E-02 -0.41882E-03 2340 0.496E-02 0.641E-01 DAV: 11 -0.321091945560E+04 0.34221E-02 -0.20580E-03 2295 0.305E-02 0.513E-01 DAV: 12 -0.321091921017E+04 0.24543E-03 -0.16808E-04 2232 0.126E-02 0.472E-01 DAV: 13 -0.321091886134E+04 0.34883E-03 -0.21967E-04 2043 0.127E-02 0.450E-01 DAV: 14 -0.321091753030E+04 0.13310E-02 -0.19364E-03 2403 0.304E-02 0.210E-01 DAV: 15 -0.321091820651E+04 -0.67620E-03 -0.34493E-03 2439 0.377E-02 0.563E-01 DAV: 16 -0.321091910714E+04 -0.90063E-03 -0.88057E-04 2142 0.284E-02 0.855E-01 DAV: 17 -0.321091709136E+04 0.20158E-02 -0.50804E-03 2268 0.292E-02 0.102E-01 DAV: 18 -0.321091745339E+04 -0.36203E-03 -0.21657E-04 2016 0.138E-02 0.131E-01 DAV: 19 -0.321091756742E+04 -0.11403E-03 -0.84627E-05 1917 0.769E-03 0.197E-01 DAV: 20 -0.321091738369E+04 0.18373E-03 -0.19355E-04 1566 0.818E-03 0.378E-02 DAV: 21 -0.321091740410E+04 -0.20410E-04 -0.10110E-05 1404 0.337E-03 0.489E-02 DAV: 22 -0.321091739553E+04 0.85748E-05 -0.16923E-05 1440 0.241E-03 88 F= -.32109174E+04 E0= -.32108814E+04 d E =-.574999E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321092748533E+04 -0.10081E-01 -0.19244E+01 1980 0.488E+00 0.985E-01 DAV: 2 -0.321096491091E+04 -0.37426E-01 -0.45695E-01 2349 0.659E-01 0.712E-01 DAV: 3 -0.321097298574E+04 -0.80748E-02 -0.84113E-02 2439 0.196E-01 0.136E+00 DAV: 4 -0.321096534535E+04 0.76404E-02 -0.86623E-02 2349 0.132E-01 0.869E-01 DAV: 5 -0.321096244463E+04 0.29007E-02 -0.20433E-02 2385 0.949E-02 0.841E-01 DAV: 6 -0.321096845848E+04 -0.60139E-02 -0.50954E-02 2448 0.128E-01 0.999E-01 DAV: 7 -0.321096155742E+04 0.69011E-02 -0.32461E-02 2304 0.989E-02 0.588E-01 DAV: 8 -0.321096043095E+04 0.11265E-02 -0.34958E-03 2268 0.460E-02 0.311E-01 DAV: 9 -0.321096005538E+04 0.37557E-03 -0.14496E-03 2259 0.285E-02 0.891E-02 DAV: 10 -0.321096013569E+04 -0.80308E-04 -0.37721E-04 2232 0.172E-02 0.912E-02 DAV: 11 -0.321096011294E+04 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eps ncg rms rms(c) DAV: 1 -0.321181775682E+04 -0.25731E+00 -0.17348E+02 1980 0.148E+01 0.296E+00 DAV: 2 -0.321219000031E+04 -0.37224E+00 -0.42752E+00 2304 0.204E+00 0.289E+00 DAV: 3 -0.321219990302E+04 -0.99027E-02 -0.78629E-01 2484 0.752E-01 0.367E+00 DAV: 4 -0.321215277162E+04 0.47131E-01 -0.12067E+00 2304 0.441E-01 0.198E+00 DAV: 5 -0.321213821853E+04 0.14553E-01 -0.22649E-01 2475 0.392E-01 0.193E+00 DAV: 6 -0.321213095523E+04 0.72633E-02 -0.25067E-01 2475 0.342E-01 0.165E+00 DAV: 7 -0.321212681152E+04 0.41437E-02 -0.22602E-01 2403 0.276E-01 0.131E+00 DAV: 8 -0.321211244758E+04 0.14364E-01 -0.13341E-01 2376 0.201E-01 0.760E-01 DAV: 9 -0.321211008065E+04 0.23669E-02 -0.39061E-02 2331 0.114E-01 0.637E-01 DAV: 10 -0.321210456160E+04 0.55191E-02 -0.16480E-02 2295 0.852E-02 0.390E-01 DAV: 11 -0.321210325823E+04 0.13034E-02 -0.40186E-03 2340 0.467E-02 0.248E-01 DAV: 12 -0.321210301422E+04 0.24401E-03 -0.66056E-04 2115 0.218E-02 0.198E-01 DAV: 13 -0.321210339955E+04 -0.38534E-03 -0.42753E-03 2628 0.429E-02 0.332E-01 DAV: 14 -0.321210266708E+04 0.73248E-03 -0.41730E-03 2439 0.426E-02 0.264E-01 DAV: 15 -0.321210281282E+04 -0.14574E-03 -0.22765E-03 2223 0.224E-02 0.256E-01 DAV: 16 -0.321210252405E+04 0.28877E-03 -0.41515E-04 2133 0.174E-02 0.744E-02 DAV: 17 -0.321210253899E+04 -0.14941E-04 -0.19125E-04 2205 0.117E-02 0.866E-02 DAV: 18 -0.321210254864E+04 -0.96499E-05 -0.21228E-04 1557 0.807E-03 0.764E-02 DAV: 19 -0.321210252431E+04 0.24328E-04 -0.70788E-05 1530 0.569E-03 0.179E-02 DAV: 20 -0.321210252955E+04 -0.52388E-05 -0.15175E-05 1503 0.338E-03 92 F= -.32121025E+04 E0= -.32120695E+04 d E =-.542086E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321210692756E+04 -0.44033E-02 -0.23846E+01 1980 0.547E+00 0.108E+00 DAV: 2 -0.321215805711E+04 -0.51130E-01 -0.56379E-01 2304 0.756E-01 0.110E+00 DAV: 3 -0.321216027574E+04 -0.22186E-02 -0.12499E-01 2412 0.277E-01 0.161E+00 DAV: 4 -0.321215842817E+04 0.18476E-02 -0.11800E-01 2268 0.147E-01 0.964E-01 DAV: 5 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-0.321270929635E+04 -0.29146E-03 -0.32650E-04 2340 0.197E-02 0.138E-01 DAV: 42 -0.321270922984E+04 0.66505E-04 -0.38147E-05 1908 0.579E-03 0.140E-01 DAV: 43 -0.321270916254E+04 0.67306E-04 -0.66284E-06 1260 0.257E-03 0.139E-01 DAV: 44 -0.321270874465E+04 0.41789E-03 -0.14334E-04 1962 0.146E-02 0.144E-01 DAV: 45 -0.321270850890E+04 0.23575E-03 -0.75906E-05 2070 0.826E-03 0.152E-01 DAV: 46 -0.321270852984E+04 -0.20942E-04 -0.10929E-05 1314 0.291E-03 0.150E-01 DAV: 47 -0.321270870908E+04 -0.17924E-03 -0.26246E-05 1458 0.715E-03 0.146E-01 DAV: 48 -0.321270880678E+04 -0.97700E-04 -0.21974E-05 1674 0.520E-03 0.146E-01 DAV: 49 -0.321270879874E+04 0.80382E-05 -0.36479E-06 1062 0.196E-03 94 F= -.32127088E+04 E0= -.32126572E+04 d E =-.563332E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.321272534615E+04 -0.16539E-01 -0.46659E+01 1980 0.765E+00 0.152E+00 DAV: 2 -0.321283063280E+04 -0.10529E+00 -0.11352E+00 2331 0.105E+00 0.182E+00 DAV: 3 -0.321282602457E+04 0.46082E-02 -0.23527E-01 2430 0.359E-01 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