N E dE d eps ncg rms rms(c) DAV: 1 0.110337211977E+05 0.11034E+05 -0.76008E+05 2336 0.112E+03 DAV: 2 -0.214399938751E+04 -0.13178E+05 -0.12657E+05 3048 0.302E+02 DAV: 3 -0.348803805105E+04 -0.13440E+04 -0.13244E+04 2728 0.101E+02 DAV: 4 -0.352934543161E+04 -0.41307E+02 -0.41053E+02 2912 0.184E+01 DAV: 5 -0.353068037257E+04 -0.13349E+01 -0.13321E+01 2960 0.315E+00 0.971E+01 DAV: 6 -0.329932153360E+04 0.23136E+03 -0.44128E+02 2784 0.236E+01 0.559E+01 DAV: 7 -0.327152120455E+04 0.27800E+02 -0.22942E+02 2952 0.200E+01 0.359E+01 DAV: 8 -0.325966072603E+04 0.11860E+02 -0.13510E+02 2976 0.161E+01 0.233E+01 DAV: 9 -0.325224828572E+04 0.74124E+01 -0.52787E+01 2992 0.978E+00 0.135E+01 DAV: 10 -0.325110846959E+04 0.11398E+01 -0.16381E+01 2808 0.453E+00 0.951E+00 DAV: 11 -0.325116222640E+04 -0.53757E-01 -0.10855E+01 2968 0.353E+00 0.884E+00 DAV: 12 -0.325064236827E+04 0.51986E+00 -0.10372E+01 2984 0.269E+00 0.558E+00 DAV: 13 -0.325028854868E+04 0.35382E+00 -0.38359E+00 2896 0.164E+00 0.341E+00 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-0.92300E-03 -0.57611E-03 2760 0.102E-01 0.109E-01 DAV: 18 -0.296072495813E+04 -0.17562E-02 -0.20936E-03 2752 0.749E-02 0.105E-01 DAV: 19 -0.296072636906E+04 -0.14109E-02 -0.11611E-03 2800 0.539E-02 0.102E-01 DAV: 20 -0.296072759742E+04 -0.12284E-02 -0.12768E-03 2712 0.445E-02 0.184E-01 DAV: 21 -0.296072797165E+04 -0.37423E-03 -0.62291E-04 2696 0.265E-02 0.365E-02 DAV: 22 -0.296072865999E+04 -0.68833E-03 -0.12073E-04 2720 0.220E-02 0.469E-02 DAV: 23 -0.296072903346E+04 -0.37347E-03 -0.10559E-04 2736 0.183E-02 0.200E-02 DAV: 24 -0.296072919639E+04 -0.16293E-03 -0.63007E-05 2680 0.122E-02 0.108E-02 DAV: 25 -0.296072928240E+04 -0.86008E-04 -0.15043E-05 2008 0.793E-03 0.828E-03 DAV: 26 -0.296072933133E+04 -0.48923E-04 -0.92863E-06 1864 0.610E-03 0.431E-03 DAV: 27 -0.296072934476E+04 -0.13433E-04 -0.77349E-06 1784 0.372E-03 0.281E-03 DAV: 28 -0.296072935352E+04 -0.87611E-05 -0.22795E-06 1776 0.245E-03 2 F= -.29607294E+04 E0= -.29606910E+04 d E =0.289452E+03 N E dE d eps ncg rms rms(c) DAV: 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-0.91482E-07 1760 0.849E-04 3 F= -.33772530E+04 E0= -.33772898E+04 d E =-.127072E+03 N E dE d eps ncg rms rms(c) DAV: 1 -0.241933609646E+04 0.95792E+03 -0.67066E+04 2416 0.281E+02 0.163E+02 DAV: 2 -0.319470554925E+04 -0.77537E+03 -0.76751E+03 2880 0.865E+01 0.925E+01 DAV: 3 -0.313748505836E+04 0.57220E+02 -0.64860E+02 2816 0.282E+01 0.681E+01 DAV: 4 -0.311167529895E+04 0.25810E+02 -0.22788E+02 2776 0.207E+01 0.404E+01 DAV: 5 -0.310911874964E+04 0.25565E+01 -0.10053E+02 2800 0.108E+01 0.283E+01 DAV: 6 -0.310642757388E+04 0.26912E+01 -0.60028E+01 3024 0.552E+00 0.198E+01 DAV: 7 -0.310548314032E+04 0.94443E+00 -0.29468E+01 3200 0.485E+00 0.143E+01 DAV: 8 -0.310516115534E+04 0.32198E+00 -0.19629E+01 2808 0.342E+00 0.158E+01 DAV: 9 -0.310398895984E+04 0.11722E+01 -0.10826E+01 3000 0.271E+00 0.522E+00 DAV: 10 -0.310377174070E+04 0.21722E+00 -0.16271E+00 2768 0.148E+00 0.352E+00 DAV: 11 -0.310367163343E+04 0.10011E+00 -0.77229E-01 2736 0.883E-01 0.277E+00 DAV: 12 -0.310360187638E+04 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1912 0.874E-03 0.153E-02 DAV: 16 -0.349254360785E+04 -0.24747E-04 -0.33344E-05 2296 0.725E-03 0.835E-03 DAV: 17 -0.349254362167E+04 -0.13816E-04 -0.10927E-05 1776 0.520E-03 0.645E-03 DAV: 18 -0.349254363398E+04 -0.12312E-04 -0.65170E-06 1792 0.375E-03 0.574E-03 DAV: 19 -0.349254363915E+04 -0.51632E-05 -0.26825E-06 1704 0.226E-03 16 F= -.34925436E+04 E0= -.34925246E+04 d E =-.686274E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.349254416318E+04 -0.52920E-03 -0.30519E-01 2368 0.598E-01 0.129E-01 DAV: 2 -0.349254502080E+04 -0.85762E-03 -0.93980E-03 2744 0.958E-02 0.167E-01 DAV: 3 -0.349254487161E+04 0.14919E-03 -0.20701E-03 2840 0.305E-02 0.113E-01 DAV: 4 -0.349254478763E+04 0.83989E-04 -0.60336E-04 2720 0.161E-02 0.570E-02 DAV: 5 -0.349254480386E+04 -0.16233E-04 -0.23341E-04 2824 0.166E-02 0.560E-02 DAV: 6 -0.349254476879E+04 0.35072E-04 -0.13726E-04 2624 0.132E-02 0.120E-02 DAV: 7 -0.349254477024E+04 -0.14504E-05 -0.19709E-05 1888 0.531E-03 17 F= -.34925448E+04 E0= -.34925255E+04 d E =-.686387E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.349334720853E+04 -0.80244E+00 -0.19644E+03 2336 0.478E+01 0.112E+01 DAV: 2 -0.349886843435E+04 -0.55212E+01 -0.66779E+01 2752 0.780E+00 0.703E+00 DAV: 3 -0.349870035574E+04 0.16808E+00 -0.67588E+00 2768 0.190E+00 0.705E+00 DAV: 4 -0.349846651999E+04 0.23384E+00 -0.65887E+00 2832 0.115E+00 0.469E+00 DAV: 5 -0.349832932627E+04 0.13719E+00 -0.65046E-01 2784 0.142E+00 0.298E+00 DAV: 6 -0.349830889524E+04 0.20431E-01 -0.18599E+00 2768 0.835E-01 0.155E+00 DAV: 7 -0.349827608493E+04 0.32810E-01 -0.92293E-02 2584 0.426E-01 0.613E-01 DAV: 8 -0.349827526608E+04 0.81885E-03 -0.53141E-02 2752 0.324E-01 0.364E-01 DAV: 9 -0.349827460247E+04 0.66361E-03 -0.88588E-03 2672 0.116E-01 0.202E-01 DAV: 10 -0.349827443240E+04 0.17006E-03 -0.32132E-03 2616 0.998E-02 0.136E-01 DAV: 11 -0.349827443735E+04 -0.49480E-05 -0.14462E-03 2688 0.450E-02 0.681E-02 DAV: 12 -0.349827444368E+04 -0.63301E-05 -0.28676E-04 2720 0.290E-02 0.451E-02 DAV: 13 -0.349827447808E+04 -0.34399E-04 -0.23537E-04 2680 0.203E-02 0.178E-02 DAV: 14 -0.349827452504E+04 -0.46959E-04 -0.39730E-05 2448 0.106E-02 0.113E-02 DAV: 15 -0.349827456688E+04 -0.41839E-04 -0.25231E-05 2208 0.887E-03 0.104E-02 DAV: 16 -0.349827459308E+04 -0.26202E-04 -0.90778E-06 1808 0.703E-03 0.442E-03 DAV: 17 -0.349827460894E+04 -0.15855E-04 -0.14195E-05 1880 0.529E-03 0.638E-03 DAV: 18 -0.349827461623E+04 -0.72943E-05 -0.37048E-06 1744 0.389E-03 18 F= -.34982746E+04 E0= -.34982442E+04 d E =-.572985E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.349827463564E+04 -0.26700E-04 -0.18636E-02 2416 0.147E-01 0.306E-02 DAV: 2 -0.349827468499E+04 -0.49350E-04 -0.51636E-04 2752 0.226E-02 0.289E-02 DAV: 3 -0.349827468416E+04 0.82876E-06 -0.27628E-05 1904 0.698E-03 19 F= -.34982747E+04 E0= -.34982445E+04 d E =-.572991E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.349911910583E+04 -0.84442E+00 -0.14940E+03 2344 0.416E+01 0.970E+00 DAV: 2 -0.350426449554E+04 -0.51454E+01 -0.62986E+01 2768 0.672E+00 0.733E+00 DAV: 3 -0.350321215313E+04 0.10523E+01 -0.18464E+00 2848 0.178E+00 0.424E+00 DAV: 4 -0.350317897728E+04 0.33176E-01 -0.76766E-01 2640 0.975E-01 0.354E+00 DAV: 5 -0.350338288932E+04 -0.20391E+00 -0.50551E+00 3056 0.109E+00 0.512E+00 DAV: 6 -0.350310588834E+04 0.27700E+00 -0.13893E+00 2880 0.685E-01 0.914E-01 DAV: 7 -0.350311817140E+04 -0.12283E-01 -0.63840E-02 2792 0.351E-01 0.109E+00 DAV: 8 -0.350311209967E+04 0.60717E-02 -0.46642E-02 2952 0.293E-01 0.788E-01 DAV: 9 -0.350310753766E+04 0.45620E-02 -0.89006E-03 2568 0.125E-01 0.263E-01 DAV: 10 -0.350310734621E+04 0.19145E-03 -0.19544E-03 2712 0.618E-02 0.183E-01 DAV: 11 -0.350310726229E+04 0.83918E-04 -0.98013E-04 2840 0.446E-02 0.107E-01 DAV: 12 -0.350310723912E+04 0.23172E-04 -0.28300E-04 2648 0.277E-02 0.342E-02 DAV: 13 -0.350310725929E+04 -0.20171E-04 -0.12369E-04 2672 0.132E-02 0.251E-02 DAV: 14 -0.350310727612E+04 -0.16825E-04 -0.19539E-05 1896 0.628E-03 0.142E-02 DAV: 15 -0.350310729976E+04 -0.23641E-04 -0.15879E-05 1848 0.624E-03 0.677E-03 DAV: 16 -0.350310731060E+04 -0.10840E-04 -0.65493E-06 1744 0.370E-03 0.546E-03 DAV: 17 -0.350310731804E+04 -0.74398E-05 -0.31268E-06 1712 0.301E-03 20 F= -.35031073E+04 E0= -.35030819E+04 d E =-.483263E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.350311401418E+04 -0.67036E-02 -0.30177E+01 2344 0.592E+00 0.126E+00 DAV: 2 -0.350321556200E+04 -0.10155E+00 -0.86103E-01 2752 0.914E-01 0.194E+00 DAV: 3 -0.350318579494E+04 0.29767E-01 -0.61022E-02 2840 0.289E-01 0.107E+00 DAV: 4 -0.350317931368E+04 0.64813E-02 -0.14874E-02 2664 0.161E-01 0.503E-01 DAV: 5 -0.350318101363E+04 -0.17000E-02 -0.79916E-03 2880 0.158E-01 0.452E-01 DAV: 6 -0.350317833640E+04 0.26772E-02 -0.58174E-03 2704 0.121E-01 0.112E-01 DAV: 7 -0.350317841695E+04 -0.80551E-04 -0.19428E-03 2728 0.486E-02 0.662E-02 DAV: 8 -0.350317838978E+04 0.27172E-04 -0.45912E-04 2704 0.295E-02 0.331E-02 DAV: 9 -0.350317838689E+04 0.28856E-05 -0.70540E-05 2544 0.103E-02 21 F= -.35031784E+04 E0= -.35031518E+04 d E =-.490370E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.350440403437E+04 -0.12256E+01 -0.13569E+03 2336 0.398E+01 0.824E+00 DAV: 2 -0.350803071563E+04 -0.36267E+01 -0.41717E+01 2720 0.605E+00 0.534E+00 DAV: 3 -0.350787185482E+04 0.15886E+00 -0.16249E+00 2792 0.128E+00 0.409E+00 DAV: 4 -0.350801444307E+04 -0.14259E+00 -0.43789E+00 2840 0.926E-01 0.522E+00 DAV: 5 -0.350781287692E+04 0.20157E+00 -0.30466E+00 2848 0.992E-01 0.185E+00 DAV: 6 -0.350777009990E+04 0.42777E-01 -0.20292E-01 2688 0.505E-01 0.793E-01 DAV: 7 -0.350776611272E+04 0.39872E-02 -0.47278E-02 2840 0.401E-01 0.661E-01 DAV: 8 -0.350776649411E+04 -0.38139E-03 -0.29080E-02 2792 0.254E-01 0.417E-01 DAV: 9 -0.350776298354E+04 0.35106E-02 -0.46138E-03 2576 0.126E-01 0.135E-01 DAV: 10 -0.350776289425E+04 0.89291E-04 -0.18475E-03 2712 0.708E-02 0.641E-02 DAV: 11 -0.350776296472E+04 -0.70476E-04 -0.84235E-04 2728 0.367E-02 0.487E-02 DAV: 12 -0.350776295697E+04 0.77528E-05 -0.12810E-04 2736 0.185E-02 0.303E-02 DAV: 13 -0.350776298040E+04 -0.23433E-04 -0.10128E-04 2592 0.161E-02 0.162E-02 DAV: 14 -0.350776299678E+04 -0.16383E-04 -0.28569E-05 2104 0.937E-03 0.144E-02 DAV: 15 -0.350776301101E+04 -0.14225E-04 -0.26282E-05 2216 0.921E-03 0.795E-03 DAV: 16 -0.350776302234E+04 -0.11333E-04 -0.10109E-05 1808 0.573E-03 0.601E-03 DAV: 17 -0.350776303335E+04 -0.11005E-04 -0.47375E-06 1744 0.598E-03 0.237E-03 DAV: 18 -0.350776303766E+04 -0.43095E-05 -0.68707E-06 1744 0.306E-03 22 F= -.35077630E+04 E0= -.35077332E+04 d E =-.458465E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.350777298265E+04 -0.99493E-02 -0.81623E+01 2336 0.976E+00 0.190E+00 DAV: 2 -0.350796036257E+04 -0.18738E+00 -0.21853E+00 2728 0.144E+00 0.130E+00 DAV: 3 -0.350796180324E+04 -0.14407E-02 -0.13702E-01 2840 0.326E-01 0.140E+00 DAV: 4 -0.350795149628E+04 0.10307E-01 -0.15690E-01 2848 0.238E-01 0.990E-01 DAV: 5 -0.350795664447E+04 -0.51482E-02 -0.11995E-01 2848 0.245E-01 0.883E-01 DAV: 6 -0.350794582948E+04 0.10815E-01 -0.37868E-02 2848 0.178E-01 0.176E-01 DAV: 7 -0.350794623814E+04 -0.40865E-03 -0.37535E-03 2552 0.715E-02 0.982E-02 DAV: 8 -0.350794620347E+04 0.34663E-04 -0.14438E-03 2760 0.482E-02 0.510E-02 DAV: 9 -0.350794618975E+04 0.13729E-04 -0.16839E-04 2904 0.176E-02 0.310E-02 DAV: 10 -0.350794618978E+04 -0.36904E-07 -0.99113E-05 2600 0.143E-02 23 F= -.35079462E+04 E0= -.35079159E+04 d E =-.476780E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.350809358583E+04 -0.14740E+00 -0.13708E+03 2336 0.400E+01 0.871E+00 DAV: 2 -0.351172572078E+04 -0.36321E+01 -0.43989E+01 2728 0.618E+00 0.668E+00 DAV: 3 -0.351168491962E+04 0.40801E-01 -0.92658E+00 2864 0.167E+00 0.497E+00 DAV: 4 -0.351132178741E+04 0.36313E+00 -0.67412E-01 2832 0.947E-01 0.291E+00 DAV: 5 -0.351144441611E+04 -0.12263E+00 -0.16118E+00 2960 0.116E+00 0.328E+00 DAV: 6 -0.351132399707E+04 0.12042E+00 -0.84584E-01 2736 0.612E-01 0.100E+00 DAV: 7 -0.351130710732E+04 0.16890E-01 -0.70999E-02 2888 0.389E-01 0.102E+00 DAV: 8 -0.351130464420E+04 0.24631E-02 -0.23748E-01 2960 0.448E-01 0.898E-01 DAV: 9 -0.351130101587E+04 0.36283E-02 -0.11057E-01 2696 0.264E-01 0.574E-01 DAV: 10 -0.351129732419E+04 0.36917E-02 -0.25058E-02 2720 0.108E-01 0.145E-01 DAV: 11 -0.351129759384E+04 -0.26965E-03 -0.18655E-03 2640 0.540E-02 0.118E-01 DAV: 12 -0.351129759186E+04 0.19837E-05 -0.10251E-03 2688 0.347E-02 0.125E-01 DAV: 13 -0.351129741967E+04 0.17219E-03 -0.61437E-04 2912 0.357E-02 0.265E-02 DAV: 14 -0.351129748343E+04 -0.63760E-04 -0.24313E-04 2656 0.171E-02 0.313E-02 DAV: 15 -0.351129751765E+04 -0.34220E-04 -0.41878E-05 2008 0.666E-03 0.188E-02 DAV: 16 -0.351129755530E+04 -0.37651E-04 -0.12467E-05 1832 0.632E-03 0.491E-03 DAV: 17 -0.351129758062E+04 -0.25319E-04 -0.11303E-05 1784 0.463E-03 0.647E-03 DAV: 18 -0.351129759814E+04 -0.17524E-04 -0.45959E-06 1792 0.353E-03 0.306E-03 DAV: 19 -0.351129760704E+04 -0.88987E-05 -0.22656E-06 1744 0.182E-03 24 F= -.35112976E+04 E0= -.35112775E+04 d E =-.335142E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.351129770605E+04 -0.10791E-03 -0.55752E-01 2352 0.805E-01 0.164E-01 DAV: 2 -0.351129900838E+04 -0.13023E-02 -0.15606E-02 2728 0.120E-01 0.131E-01 DAV: 3 -0.351129906271E+04 -0.54325E-04 -0.33919E-03 2864 0.324E-02 0.148E-01 DAV: 4 -0.351129885736E+04 0.20535E-03 -0.15668E-03 2816 0.208E-02 0.621E-02 DAV: 5 -0.351129891401E+04 -0.56655E-04 -0.19635E-04 2824 0.210E-02 0.666E-02 DAV: 6 -0.351129884964E+04 0.64368E-04 -0.10895E-04 2776 0.158E-02 0.149E-02 DAV: 7 -0.351129885229E+04 -0.26418E-05 -0.21352E-05 1912 0.577E-03 25 F= -.35112989E+04 E0= -.35112790E+04 d E =-.335266E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.351208607707E+04 -0.78723E+00 -0.12978E+03 2336 0.387E+01 0.859E+00 DAV: 2 -0.351530803978E+04 -0.32220E+01 -0.39308E+01 2744 0.593E+00 0.585E+00 DAV: 3 -0.351527898252E+04 0.29057E-01 -0.60046E+00 2840 0.155E+00 0.438E+00 DAV: 4 -0.351501405286E+04 0.26493E+00 -0.82045E-01 2832 0.933E-01 0.256E+00 DAV: 5 -0.351506299211E+04 -0.48939E-01 -0.69127E-01 2736 0.865E-01 0.224E+00 DAV: 6 -0.351501423588E+04 0.48756E-01 -0.58837E-01 2736 0.465E-01 0.762E-01 DAV: 7 -0.351501240227E+04 0.18336E-02 -0.66190E-02 2616 0.272E-01 0.537E-01 DAV: 8 -0.351501026698E+04 0.21353E-02 -0.56376E-02 2808 0.232E-01 0.301E-01 DAV: 9 -0.351500963660E+04 0.63038E-03 -0.15015E-02 2640 0.895E-02 0.155E-01 DAV: 10 -0.351500946770E+04 0.16890E-03 -0.45442E-03 2712 0.634E-02 0.925E-02 DAV: 11 -0.351500945769E+04 0.10009E-04 -0.12669E-03 2672 0.289E-02 0.405E-02 DAV: 12 -0.351500945523E+04 0.24629E-05 -0.12230E-04 2672 0.160E-02 0.217E-02 DAV: 13 -0.351500947198E+04 -0.16756E-04 -0.10170E-04 2600 0.128E-02 0.120E-02 DAV: 14 -0.351500948427E+04 -0.12286E-04 -0.86892E-06 1792 0.552E-03 0.844E-03 DAV: 15 -0.351500949368E+04 -0.94112E-05 -0.11260E-05 1808 0.516E-03 26 F= -.35150095E+04 E0= -.35150040E+04 d E =-.371064E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.351497542839E+04 0.34056E-01 -0.12736E+02 2336 0.121E+01 0.253E+00 DAV: 2 -0.351525678560E+04 -0.28136E+00 -0.34434E+00 2736 0.181E+00 0.169E+00 DAV: 3 -0.351525420979E+04 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F= -.35184172E+04 E0= -.35184315E+04 d E =-.318384E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.351841953589E+04 -0.22951E-02 -0.10723E+01 2352 0.352E+00 0.718E-01 DAV: 2 -0.351844188491E+04 -0.22349E-01 -0.27905E-01 2712 0.519E-01 0.492E-01 DAV: 3 -0.351844103022E+04 0.85469E-03 -0.23374E-02 2800 0.126E-01 0.380E-01 DAV: 4 -0.351844034823E+04 0.68199E-03 -0.19185E-02 2856 0.901E-02 0.279E-01 DAV: 5 -0.351843990127E+04 0.44696E-03 -0.73904E-03 2712 0.783E-02 0.885E-02 DAV: 6 -0.351843987695E+04 0.24319E-04 -0.10190E-03 2632 0.356E-02 0.564E-02 DAV: 7 -0.351843984315E+04 0.33792E-04 -0.24359E-04 2736 0.230E-02 0.249E-02 DAV: 8 -0.351843984313E+04 0.23778E-07 -0.10235E-04 2624 0.118E-02 0.145E-02 DAV: 9 -0.351843984178E+04 0.13557E-05 -0.10187E-05 1696 0.543E-03 29 F= -.35184398E+04 E0= -.35184551E+04 d E =-.320643E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.351903148357E+04 -0.59164E+00 -0.12374E+03 2336 0.378E+01 0.835E+00 DAV: 2 -0.352192876997E+04 -0.28973E+01 -0.36003E+01 2744 0.569E+00 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N E dE d eps ncg rms rms(c) DAV: 1 -0.352200561760E+04 -0.18734E+00 -0.12823E+03 2336 0.382E+01 0.854E+00 DAV: 2 -0.352497499464E+04 -0.29694E+01 -0.36960E+01 2760 0.578E+00 0.551E+00 DAV: 3 -0.352483487738E+04 0.14012E+00 -0.26400E+00 2920 0.144E+00 0.384E+00 DAV: 4 -0.352474355866E+04 0.91319E-01 -0.97363E-01 2936 0.101E+00 0.265E+00 DAV: 5 -0.352472705571E+04 0.16503E-01 -0.57530E-01 2712 0.762E-01 0.908E-01 DAV: 6 -0.352472368127E+04 0.33744E-02 -0.83533E-02 2648 0.349E-01 0.489E-01 DAV: 7 -0.352472239254E+04 0.12887E-02 -0.30939E-02 2736 0.251E-01 0.219E-01 DAV: 8 -0.352472222870E+04 0.16383E-03 -0.47402E-03 2712 0.823E-02 0.141E-01 DAV: 9 -0.352472208821E+04 0.14049E-03 -0.19623E-03 2736 0.669E-02 0.543E-02 DAV: 10 -0.352472211879E+04 -0.30581E-04 -0.41761E-04 2712 0.268E-02 0.403E-02 DAV: 11 -0.352472210915E+04 0.96495E-05 -0.11119E-04 2672 0.184E-02 0.173E-02 DAV: 12 -0.352472211909E+04 -0.99489E-05 -0.66928E-05 2504 0.110E-02 32 F= -.35247221E+04 E0= -.35247315E+04 d E =-.290385E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.352471704646E+04 0.50627E-02 -0.25668E+01 2336 0.543E+00 0.113E+00 DAV: 2 -0.352477042630E+04 -0.53380E-01 -0.67016E-01 2752 0.797E-01 0.757E-01 DAV: 3 -0.352476815227E+04 0.22740E-02 -0.48944E-02 2872 0.201E-01 0.563E-01 DAV: 4 -0.352476618255E+04 0.19697E-02 -0.25440E-02 2920 0.141E-01 0.365E-01 DAV: 5 -0.352476571560E+04 0.46694E-03 -0.92847E-03 2648 0.110E-01 0.101E-01 DAV: 6 -0.352476573837E+04 -0.22764E-04 -0.14152E-03 2632 0.466E-02 0.692E-02 DAV: 7 -0.352476570063E+04 0.37739E-04 -0.54717E-04 2744 0.334E-02 0.302E-02 DAV: 8 -0.352476569819E+04 0.24401E-05 -0.86269E-05 2624 0.110E-02 33 F= -.35247657E+04 E0= -.35247749E+04 d E =-.294743E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.352522371021E+04 -0.45801E+00 -0.80122E+02 2336 0.304E+01 0.642E+00 DAV: 2 -0.352703491416E+04 -0.18112E+01 -0.22445E+01 2720 0.460E+00 0.438E+00 DAV: 3 -0.352693343132E+04 0.10148E+00 -0.11861E+00 2880 0.108E+00 0.303E+00 DAV: 4 -0.352690689336E+04 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DAV: 6 -0.352873605776E+04 0.60550E-02 -0.55391E-02 2584 0.268E-01 0.527E-01 DAV: 7 -0.352873329543E+04 0.27623E-02 -0.30391E-02 2720 0.210E-01 0.180E-01 DAV: 8 -0.352873326563E+04 0.29805E-04 -0.34124E-03 2768 0.710E-02 0.113E-01 DAV: 9 -0.352873319517E+04 0.70456E-04 -0.89073E-04 2720 0.415E-02 0.705E-02 DAV: 10 -0.352873311634E+04 0.78825E-04 -0.37566E-04 2712 0.342E-02 0.276E-02 DAV: 11 -0.352873312311E+04 -0.67691E-05 -0.14925E-04 2712 0.211E-02 0.188E-02 DAV: 12 -0.352873313856E+04 -0.15442E-04 -0.62566E-05 2648 0.169E-02 0.106E-02 DAV: 13 -0.352873315797E+04 -0.19414E-04 -0.15850E-05 1952 0.146E-02 0.814E-03 DAV: 14 -0.352873317814E+04 -0.20169E-04 -0.21280E-05 1976 0.155E-02 0.455E-03 DAV: 15 -0.352873319384E+04 -0.15703E-04 -0.52377E-05 2608 0.998E-03 0.697E-03 DAV: 16 -0.352873319483E+04 -0.98981E-06 -0.47400E-06 1720 0.206E-03 36 F= -.35287332E+04 E0= -.35287477E+04 d E =-.186154E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.352873491142E+04 -0.17176E-02 -0.58307E+00 2336 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2840 0.352E-01 0.625E-01 DAV: 6 -0.353058062472E+04 0.25322E-02 -0.52819E-02 2912 0.209E-01 0.403E-01 DAV: 7 -0.353057937557E+04 0.12491E-02 -0.16735E-02 2912 0.129E-01 0.163E-01 DAV: 8 -0.353057924032E+04 0.13526E-03 -0.24026E-03 2688 0.512E-02 0.833E-02 DAV: 9 -0.353057920263E+04 0.37692E-04 -0.58174E-04 2704 0.372E-02 0.363E-02 DAV: 10 -0.353057921847E+04 -0.15845E-04 -0.24562E-04 2752 0.209E-02 0.276E-02 DAV: 11 -0.353057921284E+04 0.56331E-05 -0.50876E-05 2480 0.120E-02 38 F= -.35305792E+04 E0= -.35305975E+04 d E =-.183268E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.353057570207E+04 0.35164E-02 -0.17837E+01 2336 0.453E+00 0.916E-01 DAV: 2 -0.353061466968E+04 -0.38968E-01 -0.47430E-01 2720 0.674E-01 0.571E-01 DAV: 3 -0.353061270103E+04 0.19686E-02 -0.11967E-02 2784 0.125E-01 0.369E-01 DAV: 4 -0.353061238641E+04 0.31462E-03 -0.87581E-03 2792 0.127E-01 0.212E-01 DAV: 5 -0.353061225598E+04 0.13044E-03 -0.76942E-03 2944 0.728E-02 0.142E-01 DAV: 6 -0.353061204876E+04 0.20721E-03 -0.15540E-03 2808 0.364E-02 0.596E-02 DAV: 7 -0.353061203298E+04 0.15782E-04 -0.40760E-04 2712 0.256E-02 0.260E-02 DAV: 8 -0.353061203079E+04 0.21883E-05 -0.60525E-05 2536 0.889E-03 39 F= -.35306120E+04 E0= -.35306307E+04 d E =-.186550E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.353110671784E+04 -0.49468E+00 -0.59009E+02 2344 0.260E+01 0.535E+00 DAV: 2 -0.353250048148E+04 -0.13938E+01 -0.16651E+01 2712 0.389E+00 0.342E+00 DAV: 3 -0.353243331908E+04 0.67162E-01 -0.44358E-01 2768 0.736E-01 0.230E+00 DAV: 4 -0.353242422898E+04 0.90901E-02 -0.37183E-01 2792 0.676E-01 0.133E+00 DAV: 5 -0.353240692956E+04 0.17299E-01 -0.20189E-01 2936 0.404E-01 0.600E-01 DAV: 6 -0.353240472025E+04 0.22093E-02 -0.36169E-02 2848 0.213E-01 0.352E-01 DAV: 7 -0.353240363521E+04 0.10850E-02 -0.13141E-02 2800 0.150E-01 0.169E-01 DAV: 8 -0.353240333063E+04 0.30458E-03 -0.30108E-03 2736 0.664E-02 0.948E-02 DAV: 9 -0.353240307833E+04 0.25230E-03 -0.63363E-04 2888 0.501E-02 0.480E-02 DAV: 10 -0.353240291637E+04 0.16196E-03 -0.52836E-04 2912 0.446E-02 0.353E-02 DAV: 11 -0.353240280355E+04 0.11282E-03 -0.30374E-04 2960 0.368E-02 0.223E-02 DAV: 12 -0.353240270620E+04 0.97356E-04 -0.10084E-04 3008 0.340E-02 0.184E-02 DAV: 13 -0.353240261985E+04 0.86346E-04 -0.18056E-04 3048 0.421E-02 0.105E-02 DAV: 14 -0.353240263025E+04 -0.10403E-04 -0.32708E-04 2688 0.260E-02 0.109E-02 DAV: 15 -0.353240263767E+04 -0.74170E-05 -0.87143E-05 2600 0.831E-03 40 F= -.35324026E+04 E0= -.35324176E+04 d E =-.179061E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.353238791123E+04 0.14719E-01 -0.67183E+01 2344 0.877E+00 0.174E+00 DAV: 2 -0.353253561103E+04 -0.14770E+00 -0.17671E+00 2728 0.129E+00 0.112E+00 DAV: 3 -0.353252847988E+04 0.71311E-02 -0.49738E-02 2760 0.245E-01 0.740E-01 DAV: 4 -0.353252897612E+04 -0.49624E-03 -0.52504E-02 2840 0.223E-01 0.534E-01 DAV: 5 -0.353252571108E+04 0.32650E-02 -0.33114E-02 2896 0.149E-01 0.181E-01 DAV: 6 -0.353252559692E+04 0.11416E-03 -0.31646E-03 2680 0.683E-02 0.106E-01 DAV: 7 -0.353252552340E+04 0.73517E-04 -0.13113E-03 2784 0.493E-02 0.564E-02 DAV: 8 -0.353252549573E+04 0.27668E-04 -0.31522E-04 2752 0.209E-02 0.326E-02 DAV: 9 -0.353252548057E+04 0.15164E-04 -0.62438E-05 2624 0.137E-02 0.160E-02 DAV: 10 -0.353252547966E+04 0.91102E-06 -0.49306E-05 2456 0.107E-02 41 F= -.35325255E+04 E0= -.35325391E+04 d E =-.191345E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.353302250461E+04 -0.49702E+00 -0.56375E+02 2344 0.253E+01 0.532E+00 DAV: 2 -0.353438374277E+04 -0.13612E+01 -0.15904E+01 2752 0.379E+00 0.330E+00 DAV: 3 -0.353431711687E+04 0.66626E-01 -0.45080E-01 2768 0.742E-01 0.224E+00 DAV: 4 -0.353431818128E+04 -0.10644E-02 -0.37223E-01 2800 0.604E-01 0.154E+00 DAV: 5 -0.353429147288E+04 0.26708E-01 -0.18304E-01 2752 0.437E-01 0.506E-01 DAV: 6 -0.353428956982E+04 0.19031E-02 -0.25541E-02 2736 0.215E-01 0.307E-01 DAV: 7 -0.353428910249E+04 0.46733E-03 -0.12421E-02 2720 0.150E-01 0.148E-01 DAV: 8 -0.353428900346E+04 0.99035E-04 -0.17085E-03 2712 0.497E-02 0.854E-02 DAV: 9 -0.353428894608E+04 0.57374E-04 -0.56373E-04 2744 0.369E-02 0.373E-02 DAV: 10 -0.353428895209E+04 -0.60106E-05 -0.26441E-04 2720 0.177E-02 0.244E-02 DAV: 11 -0.353428895124E+04 0.85618E-06 -0.42697E-05 2344 0.947E-03 42 F= -.35342890E+04 E0= -.35342970E+04 d E =-.176347E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.353428629680E+04 0.26553E-02 -0.45967E+01 2336 0.725E+00 0.147E+00 DAV: 2 -0.353439210427E+04 -0.10581E+00 -0.12455E+00 2744 0.107E+00 0.925E-01 DAV: 3 -0.353438723644E+04 0.48678E-02 -0.33996E-02 2768 0.213E-01 0.626E-01 DAV: 4 -0.353438801107E+04 -0.77463E-03 -0.27777E-02 2776 0.177E-01 0.497E-01 DAV: 5 -0.353438495304E+04 0.30580E-02 -0.16460E-02 2728 0.135E-01 0.131E-01 DAV: 6 -0.353438503058E+04 -0.77540E-04 -0.29589E-03 2640 0.567E-02 0.891E-02 DAV: 7 -0.353438496656E+04 0.64017E-04 -0.83732E-04 2736 0.380E-02 0.432E-02 DAV: 8 -0.353438495896E+04 0.75967E-05 -0.17661E-04 2720 0.145E-02 0.248E-02 DAV: 9 -0.353438495726E+04 0.17063E-05 -0.43458E-05 2376 0.956E-03 43 F= -.35343850E+04 E0= -.35343905E+04 d E =-.185948E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.353491692598E+04 -0.53197E+00 -0.28495E+02 2336 0.181E+01 0.389E+00 DAV: 2 -0.353560609468E+04 -0.68917E+00 -0.82010E+00 2768 0.273E+00 0.244E+00 DAV: 3 -0.353556246581E+04 0.43629E-01 -0.21862E-01 2776 0.547E-01 0.160E+00 DAV: 4 -0.353556443191E+04 -0.19661E-02 -0.13315E-01 2784 0.483E-01 0.108E+00 DAV: 5 -0.353554596341E+04 0.18469E-01 -0.91412E-02 2720 0.329E-01 0.389E-01 DAV: 6 -0.353554545148E+04 0.51193E-03 -0.23507E-02 2688 0.145E-01 0.239E-01 DAV: 7 -0.353554498515E+04 0.46633E-03 -0.64491E-03 2680 0.998E-02 0.115E-01 DAV: 8 -0.353554490155E+04 0.83600E-04 -0.12253E-03 2688 0.378E-02 0.669E-02 DAV: 9 -0.353554487716E+04 0.24396E-04 -0.26420E-04 2800 0.240E-02 0.376E-02 DAV: 10 -0.353554486934E+04 0.78199E-05 -0.13345E-04 2776 0.174E-02 0.166E-02 DAV: 11 -0.353554487190E+04 -0.25618E-05 -0.31618E-05 2200 0.893E-03 44 F= -.35355449E+04 E0= -.35355459E+04 d E =-.115991E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.353554778417E+04 -0.29148E-02 -0.22721E+00 2352 0.162E+00 0.338E-01 DAV: 2 -0.353555324948E+04 -0.54653E-02 -0.65211E-02 2760 0.243E-01 0.220E-01 DAV: 3 -0.353555289195E+04 0.35754E-03 -0.16955E-03 2776 0.490E-02 0.144E-01 DAV: 4 -0.353555292503E+04 -0.33086E-04 -0.10931E-03 2784 0.441E-02 0.111E-01 DAV: 5 -0.353555275709E+04 0.16794E-03 -0.76563E-04 2784 0.331E-02 0.422E-02 DAV: 6 -0.353555274863E+04 0.84663E-05 -0.21153E-04 2640 0.140E-02 0.223E-02 DAV: 7 -0.353555274483E+04 0.37979E-05 -0.56358E-05 2536 0.954E-03 45 F= -.35355527E+04 E0= -.35355534E+04 d E =-.116779E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.353629912382E+04 -0.74638E+00 -0.19418E+02 2336 0.150E+01 0.308E+00 DAV: 2 -0.353676701822E+04 -0.46789E+00 -0.55191E+00 2768 0.225E+00 0.191E+00 DAV: 3 -0.353674354682E+04 0.23471E-01 -0.13054E-01 2800 0.422E-01 0.123E+00 DAV: 4 -0.353674321003E+04 0.33679E-03 -0.87749E-02 2776 0.412E-01 0.739E-01 DAV: 5 -0.353674003805E+04 0.31720E-02 -0.50874E-02 2776 0.241E-01 0.408E-01 DAV: 6 -0.353673822149E+04 0.18166E-02 -0.82199E-03 2592 0.115E-01 0.223E-01 DAV: 7 -0.353673786629E+04 0.35519E-03 -0.60535E-03 2752 0.101E-01 0.982E-02 DAV: 8 -0.353673782831E+04 0.37989E-04 -0.11250E-03 2768 0.344E-02 0.621E-02 DAV: 9 -0.353673779324E+04 0.35070E-04 -0.24954E-04 2760 0.253E-02 0.261E-02 DAV: 10 -0.353673780216E+04 -0.89219E-05 -0.13606E-04 2664 0.147E-02 0.160E-02 DAV: 11 -0.353673780433E+04 -0.21699E-05 -0.16580E-05 1792 0.585E-03 46 F= -.35367378E+04 E0= -.35367393E+04 d E =-.118506E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.353675366999E+04 -0.15868E-01 -0.11478E+02 2344 0.116E+01 0.234E+00 DAV: 2 -0.353702289852E+04 -0.26923E+00 -0.31799E+00 2760 0.172E+00 0.146E+00 DAV: 3 -0.353700893692E+04 0.13962E-01 -0.74037E-02 2816 0.319E-01 0.935E-01 DAV: 4 -0.353700734078E+04 0.15961E-02 -0.47670E-02 2776 0.309E-01 0.438E-01 DAV: 5 -0.353700704266E+04 0.29812E-03 -0.25268E-02 2776 0.153E-01 0.279E-01 DAV: 6 -0.353700619790E+04 0.84476E-03 -0.41664E-03 2608 0.797E-02 0.147E-01 DAV: 7 -0.353700608569E+04 0.11221E-03 -0.28000E-03 2728 0.683E-02 0.678E-02 DAV: 8 -0.353700605888E+04 0.26811E-04 -0.44094E-04 2792 0.233E-02 0.436E-02 DAV: 9 -0.353700604739E+04 0.11482E-04 -0.17040E-04 2640 0.203E-02 0.167E-02 DAV: 10 -0.353700605620E+04 -0.88092E-05 -0.57349E-05 2576 0.944E-03 47 F= -.35370061E+04 E0= -.35370093E+04 d E =-.145331E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.353760293397E+04 -0.59689E+00 -0.18047E+02 2336 0.145E+01 0.298E+00 DAV: 2 -0.353802458570E+04 -0.42165E+00 -0.50404E+00 2744 0.215E+00 0.188E+00 DAV: 3 -0.353800140368E+04 0.23182E-01 -0.12318E-01 2800 0.417E-01 0.121E+00 DAV: 4 -0.353799651392E+04 0.48898E-02 -0.74588E-02 2768 0.396E-01 0.492E-01 DAV: 5 -0.353799715576E+04 -0.64184E-03 -0.33588E-02 2776 0.170E-01 0.310E-01 DAV: 6 -0.353799628871E+04 0.86706E-03 -0.71739E-03 2720 0.951E-02 0.174E-01 DAV: 7 -0.353799610240E+04 0.18631E-03 -0.38197E-03 2704 0.774E-02 0.833E-02 DAV: 8 -0.353799604112E+04 0.61278E-04 -0.57208E-04 2640 0.272E-02 0.523E-02 DAV: 9 -0.353799602030E+04 0.20822E-04 -0.23683E-04 2664 0.245E-02 0.203E-02 DAV: 10 -0.353799602729E+04 -0.69895E-05 -0.77912E-05 2624 0.112E-02 48 F= -.35379960E+04 E0= -.35380015E+04 d E =-.989971E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.353799276952E+04 0.32508E-02 -0.10293E+02 2336 0.109E+01 0.222E+00 DAV: 2 -0.353822813115E+04 -0.23536E+00 -0.28108E+00 2736 0.161E+00 0.141E+00 DAV: 3 -0.353821524880E+04 0.12882E-01 -0.69395E-02 2792 0.311E-01 0.902E-01 DAV: 4 -0.353821244395E+04 0.28049E-02 -0.39015E-02 2760 0.292E-01 0.337E-01 DAV: 5 -0.353821293525E+04 -0.49130E-03 -0.15206E-02 2792 0.119E-01 0.207E-01 DAV: 6 -0.353821259487E+04 0.34038E-03 -0.37334E-03 2728 0.698E-02 0.114E-01 DAV: 7 -0.353821251946E+04 0.75404E-04 -0.17046E-03 2704 0.472E-02 0.581E-02 DAV: 8 -0.353821249320E+04 0.26265E-04 -0.24000E-04 2680 0.178E-02 0.358E-02 DAV: 9 -0.353821249118E+04 0.20208E-05 -0.11415E-04 2672 0.169E-02 0.135E-02 DAV: 10 -0.353821249898E+04 -0.77997E-05 -0.32651E-05 2152 0.763E-03 49 F= -.35382125E+04 E0= -.35382200E+04 d E =-.120644E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.353872184664E+04 -0.50936E+00 -0.20174E+02 2336 0.153E+01 0.316E+00 DAV: 2 -0.353915117269E+04 -0.42933E+00 -0.53249E+00 2776 0.225E+00 0.196E+00 DAV: 3 -0.353912662156E+04 0.24551E-01 -0.15358E-01 2816 0.451E-01 0.126E+00 DAV: 4 -0.353912281700E+04 0.38046E-02 -0.99028E-02 2776 0.381E-01 0.608E-01 DAV: 5 -0.353912196212E+04 0.85488E-03 -0.54895E-02 2792 0.190E-01 0.313E-01 DAV: 6 -0.353912106043E+04 0.90169E-03 -0.89363E-03 2648 0.102E-01 0.171E-01 DAV: 7 -0.353912092298E+04 0.13745E-03 -0.38892E-03 2728 0.801E-02 0.813E-02 DAV: 8 -0.353912086908E+04 0.53893E-04 -0.47438E-04 2720 0.265E-02 0.500E-02 DAV: 9 -0.353912085737E+04 0.11718E-04 -0.29015E-04 2680 0.248E-02 0.183E-02 DAV: 10 -0.353912086007E+04 -0.27054E-05 -0.48884E-05 2464 0.877E-03 50 F= -.35391209E+04 E0= -.35391309E+04 d E =-.908361E+00 N E dE d eps ncg rms rms(c) DAV: 1 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DAV: 3 -0.354021307259E+04 0.25475E-01 -0.15122E-01 2856 0.454E-01 0.133E+00 DAV: 4 -0.354020740297E+04 0.56696E-02 -0.10139E-01 2768 0.393E-01 0.584E-01 DAV: 5 -0.354020687899E+04 0.52398E-03 -0.58106E-02 2784 0.187E-01 0.328E-01 DAV: 6 -0.354020572391E+04 0.11551E-02 -0.10113E-02 2712 0.103E-01 0.171E-01 DAV: 7 -0.354020560199E+04 0.12192E-03 -0.38545E-03 2720 0.798E-02 0.796E-02 DAV: 8 -0.354020554649E+04 0.55505E-04 -0.44373E-04 2760 0.287E-02 0.481E-02 DAV: 9 -0.354020554295E+04 0.35376E-05 -0.30480E-04 2688 0.254E-02 0.208E-02 DAV: 10 -0.354020554584E+04 -0.28837E-05 -0.46778E-05 2360 0.970E-03 52 F= -.35402055E+04 E0= -.35402226E+04 d E =-.893213E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354016058765E+04 0.44955E-01 -0.13454E+02 2336 0.125E+01 0.252E+00 DAV: 2 -0.354044742511E+04 -0.28684E+00 -0.35152E+00 2736 0.184E+00 0.163E+00 DAV: 3 -0.354043151194E+04 0.15913E-01 -0.91246E-02 2824 0.357E-01 0.105E+00 DAV: 4 -0.354042766952E+04 0.38424E-02 -0.61050E-02 2760 0.320E-01 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-0.354719846492E+04 0.13992E-03 -0.22495E-04 2992 0.377E-02 0.311E-02 DAV: 9 -0.354719838316E+04 0.81764E-04 -0.16898E-04 2992 0.389E-02 0.157E-02 DAV: 10 -0.354719837202E+04 0.11133E-04 -0.19343E-04 2720 0.225E-02 0.142E-02 DAV: 11 -0.354719836625E+04 0.57689E-05 -0.37298E-05 2168 0.875E-03 67 F= -.35471984E+04 E0= -.35472111E+04 d E =-.896160E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354735529383E+04 -0.15692E+00 -0.25039E+02 2336 0.170E+01 0.342E+00 DAV: 2 -0.354793064733E+04 -0.57535E+00 -0.68140E+00 2768 0.249E+00 0.204E+00 DAV: 3 -0.354790577656E+04 0.24871E-01 -0.14137E-01 2784 0.448E-01 0.131E+00 DAV: 4 -0.354790047690E+04 0.52997E-02 -0.97202E-02 2760 0.452E-01 0.471E-01 DAV: 5 -0.354790039825E+04 0.78656E-04 -0.29457E-02 2752 0.174E-01 0.304E-01 DAV: 6 -0.354789966653E+04 0.73171E-03 -0.79015E-03 2680 0.116E-01 0.136E-01 DAV: 7 -0.354789960052E+04 0.66012E-04 -0.22103E-03 2680 0.500E-02 0.667E-02 DAV: 8 -0.354789957154E+04 0.28979E-04 -0.23512E-04 2704 0.223E-02 0.345E-02 DAV: 9 -0.354789957832E+04 -0.67750E-05 -0.16567E-04 2744 0.201E-02 0.157E-02 DAV: 10 -0.354789958673E+04 -0.84149E-05 -0.34990E-05 2240 0.919E-03 68 F= -.35478996E+04 E0= -.35479085E+04 d E =-.701220E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354781958009E+04 0.79998E-01 -0.90324E+01 2336 0.102E+01 0.204E+00 DAV: 2 -0.354801874970E+04 -0.19917E+00 -0.23767E+00 2760 0.149E+00 0.121E+00 DAV: 3 -0.354801019712E+04 0.85526E-02 -0.49212E-02 2784 0.266E-01 0.772E-01 DAV: 4 -0.354800828087E+04 0.19162E-02 -0.32749E-02 2776 0.268E-01 0.263E-01 DAV: 5 -0.354800823656E+04 0.44310E-04 -0.88686E-03 2768 0.106E-01 0.174E-01 DAV: 6 -0.354800791933E+04 0.31723E-03 -0.29105E-03 2736 0.744E-02 0.776E-02 DAV: 7 -0.354800774761E+04 0.17172E-03 -0.66443E-04 2808 0.395E-02 0.513E-02 DAV: 8 -0.354800749315E+04 0.25445E-03 -0.19473E-04 2984 0.365E-02 0.502E-02 DAV: 9 -0.354800779718E+04 -0.30402E-03 -0.27120E-04 2920 0.396E-02 0.435E-02 DAV: 10 -0.354800794165E+04 -0.14447E-03 -0.26330E-04 3088 0.327E-02 0.333E-02 DAV: 11 -0.354800818737E+04 -0.24572E-03 -0.41178E-04 3688 0.687E-02 0.254E-02 DAV: 12 -0.354800848391E+04 -0.29654E-03 -0.89728E-04 2976 0.662E-02 0.448E-02 DAV: 13 -0.354800845154E+04 0.32367E-04 -0.67041E-04 2600 0.299E-02 0.609E-02 DAV: 14 -0.354800845635E+04 -0.48095E-05 -0.29449E-05 2184 0.422E-03 69 F= -.35480085E+04 E0= -.35480169E+04 d E =-.810090E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354808231633E+04 -0.73865E-01 -0.28945E+02 2336 0.183E+01 0.373E+00 DAV: 2 -0.354872638859E+04 -0.64407E+00 -0.77741E+00 2744 0.272E+00 0.224E+00 DAV: 3 -0.354869407179E+04 0.32317E-01 -0.17602E-01 2792 0.532E-01 0.146E+00 DAV: 4 -0.354868615516E+04 0.79166E-02 -0.18802E-01 2864 0.643E-01 0.715E-01 DAV: 5 -0.354868226351E+04 0.38917E-02 -0.94009E-02 2672 0.286E-01 0.407E-01 DAV: 6 -0.354868099027E+04 0.12732E-02 -0.10928E-02 2728 0.149E-01 0.210E-01 DAV: 7 -0.354868052646E+04 0.46382E-03 -0.55357E-03 2768 0.973E-02 0.910E-02 DAV: 8 -0.354868042080E+04 0.10565E-03 -0.94994E-04 2704 0.425E-02 0.564E-02 DAV: 9 -0.354868034349E+04 0.77310E-04 -0.35787E-04 2856 0.368E-02 0.265E-02 DAV: 10 -0.354868033166E+04 0.11837E-04 -0.14762E-04 2704 0.174E-02 0.185E-02 DAV: 11 -0.354868032221E+04 0.94456E-05 -0.42925E-05 2456 0.118E-02 70 F= -.35486803E+04 E0= -.35487007E+04 d E =-.671866E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354849248053E+04 0.18785E+00 -0.13312E+02 2336 0.124E+01 0.252E+00 DAV: 2 -0.354878354267E+04 -0.29106E+00 -0.35360E+00 2744 0.184E+00 0.152E+00 DAV: 3 -0.354877052902E+04 0.13014E-01 -0.82825E-02 2792 0.359E-01 0.984E-01 DAV: 4 -0.354876852705E+04 0.20020E-02 -0.45012E-02 2768 0.332E-01 0.416E-01 DAV: 5 -0.354876808117E+04 0.44588E-03 -0.15660E-02 2752 0.165E-01 0.227E-01 DAV: 6 -0.354876761741E+04 0.46376E-03 -0.36229E-03 2696 0.867E-02 0.125E-01 DAV: 7 -0.354876755001E+04 0.67403E-04 -0.21527E-03 2728 0.571E-02 0.564E-02 DAV: 8 -0.354876752932E+04 0.20690E-04 -0.20801E-04 2808 0.207E-02 0.326E-02 DAV: 9 -0.354876753102E+04 -0.17016E-05 -0.16310E-04 2600 0.188E-02 0.186E-02 DAV: 10 -0.354876753105E+04 -0.33644E-07 -0.26349E-05 1896 0.732E-03 71 F= -.35487675E+04 E0= -.35487887E+04 d E =-.759075E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354887614839E+04 -0.10862E+00 -0.20888E+02 2336 0.155E+01 0.313E+00 DAV: 2 -0.354932514914E+04 -0.44900E+00 -0.54215E+00 2688 0.227E+00 0.190E+00 DAV: 3 -0.354930549107E+04 0.19658E-01 -0.12123E-01 2784 0.431E-01 0.122E+00 DAV: 4 -0.354930409254E+04 0.13985E-02 -0.72211E-02 2760 0.427E-01 0.549E-01 DAV: 5 -0.354930280291E+04 0.12896E-02 -0.26456E-02 2744 0.213E-01 0.295E-01 DAV: 6 -0.354930201705E+04 0.78586E-03 -0.58809E-03 2696 0.109E-01 0.169E-01 DAV: 7 -0.354930187329E+04 0.14376E-03 -0.39577E-03 2760 0.785E-02 0.721E-02 DAV: 8 -0.354930184031E+04 0.32979E-04 -0.38011E-04 2792 0.270E-02 0.425E-02 DAV: 9 -0.354930183615E+04 0.41645E-05 -0.27040E-04 2648 0.235E-02 0.233E-02 DAV: 10 -0.354930183478E+04 0.13711E-05 -0.48408E-05 2432 0.869E-03 72 F= -.35493018E+04 E0= -.35493230E+04 d E =-.534304E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354903194839E+04 0.26989E+00 -0.22403E+02 2336 0.161E+01 0.324E+00 DAV: 2 -0.354951513489E+04 -0.48319E+00 -0.58310E+00 2688 0.235E+00 0.197E+00 DAV: 3 -0.354949375972E+04 0.21375E-01 -0.13918E-01 2792 0.448E-01 0.127E+00 DAV: 4 -0.354949271951E+04 0.10402E-02 -0.88229E-02 2768 0.441E-01 0.613E-01 DAV: 5 -0.354949068700E+04 0.20325E-02 -0.31336E-02 2776 0.230E-01 0.305E-01 DAV: 6 -0.354948989774E+04 0.78926E-03 -0.67279E-03 2704 0.115E-01 0.178E-01 DAV: 7 -0.354948973206E+04 0.16568E-03 -0.45526E-03 2752 0.847E-02 0.767E-02 DAV: 8 -0.354948969879E+04 0.33265E-04 -0.56898E-04 2712 0.291E-02 0.475E-02 DAV: 9 -0.354948968995E+04 0.88392E-05 -0.33888E-04 2680 0.249E-02 0.247E-02 DAV: 10 -0.354948969180E+04 -0.18485E-05 -0.72126E-05 2648 0.973E-03 73 F= -.35494897E+04 E0= -.35495107E+04 d E =-.722161E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354973401871E+04 -0.24433E+00 -0.19955E+02 2336 0.152E+01 0.312E+00 DAV: 2 -0.355017730371E+04 -0.44329E+00 -0.53913E+00 2688 0.223E+00 0.190E+00 DAV: 3 -0.355015473464E+04 0.22569E-01 -0.15046E-01 2816 0.435E-01 0.123E+00 DAV: 4 -0.355015285441E+04 0.18802E-02 -0.10012E-01 2776 0.416E-01 0.651E-01 DAV: 5 -0.355015065768E+04 0.21967E-02 -0.35643E-02 2768 0.236E-01 0.295E-01 DAV: 6 -0.355015003244E+04 0.62524E-03 -0.75086E-03 2704 0.111E-01 0.181E-01 DAV: 7 -0.355014983794E+04 0.19451E-03 -0.45452E-03 2736 0.837E-02 0.808E-02 DAV: 8 -0.355014979790E+04 0.40040E-04 -0.80012E-04 2704 0.297E-02 0.510E-02 DAV: 9 -0.355014979011E+04 0.77881E-05 -0.29727E-04 2672 0.239E-02 0.232E-02 DAV: 10 -0.355014980486E+04 -0.14752E-04 -0.86988E-05 2728 0.118E-02 0.200E-02 DAV: 11 -0.355014980896E+04 -0.40998E-05 -0.20401E-05 2008 0.826E-03 74 F= -.35501498E+04 E0= -.35501706E+04 d E =-.660117E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354998452713E+04 0.16528E+00 -0.16870E+02 2336 0.139E+01 0.286E+00 DAV: 2 -0.355035783849E+04 -0.37331E+00 -0.45335E+00 2672 0.205E+00 0.174E+00 DAV: 3 -0.355033908536E+04 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-0.355097508933E+04 0.75875E-03 -0.14737E-01 2856 0.413E-01 0.757E-01 DAV: 5 -0.355097227717E+04 0.28122E-02 -0.65955E-02 2752 0.257E-01 0.309E-01 DAV: 6 -0.355097167090E+04 0.60627E-03 -0.10030E-02 2688 0.118E-01 0.201E-01 DAV: 7 -0.355097139139E+04 0.27952E-03 -0.51491E-03 2776 0.890E-02 0.907E-02 DAV: 8 -0.355097132120E+04 0.70185E-04 -0.13609E-03 2728 0.354E-02 0.551E-02 DAV: 9 -0.355097127918E+04 0.42018E-04 -0.23000E-04 2696 0.234E-02 0.255E-02 DAV: 10 -0.355097127345E+04 0.57319E-05 -0.15297E-04 2728 0.193E-02 0.225E-02 DAV: 11 -0.355097126008E+04 0.13376E-04 -0.47489E-05 2616 0.123E-02 0.108E-02 DAV: 12 -0.355097125013E+04 0.99478E-05 -0.15381E-05 1864 0.918E-03 76 F= -.35509713E+04 E0= -.35509940E+04 d E =-.636457E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355051820902E+04 0.45305E+00 -0.35585E+02 2336 0.203E+01 0.417E+00 DAV: 2 -0.355131617342E+04 -0.79796E+00 -0.96574E+00 2720 0.300E+00 0.255E+00 DAV: 3 -0.355128056177E+04 0.35612E-01 -0.30337E-01 2832 0.584E-01 0.166E+00 DAV: 4 -0.355127987991E+04 0.68187E-03 -0.26305E-01 2856 0.552E-01 0.995E-01 DAV: 5 -0.355127485616E+04 0.50237E-02 -0.14342E-01 2824 0.330E-01 0.439E-01 DAV: 6 -0.355127342013E+04 0.14360E-02 -0.23103E-02 2728 0.158E-01 0.283E-01 DAV: 7 -0.355127282843E+04 0.59170E-03 -0.92435E-03 2752 0.115E-01 0.133E-01 DAV: 8 -0.355127265968E+04 0.16875E-03 -0.28829E-03 2736 0.530E-02 0.709E-02 DAV: 9 -0.355127260300E+04 0.56681E-04 -0.39348E-04 2712 0.299E-02 0.368E-02 DAV: 10 -0.355127257990E+04 0.23102E-04 -0.27601E-04 2728 0.281E-02 0.268E-02 DAV: 11 -0.355127255760E+04 0.22299E-04 -0.97715E-05 2776 0.164E-02 0.159E-02 DAV: 12 -0.355127253597E+04 0.21635E-04 -0.20185E-05 1976 0.115E-02 0.120E-02 DAV: 13 -0.355127252267E+04 0.13302E-04 -0.26779E-05 2224 0.823E-03 0.123E-02 DAV: 14 -0.355127252220E+04 0.46490E-06 -0.86545E-06 1504 0.292E-03 77 F= -.35512725E+04 E0= -.35512974E+04 d E =-.937729E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355130615773E+04 -0.33635E-01 -0.29334E+02 2336 0.184E+01 0.380E+00 DAV: 2 -0.355195095171E+04 -0.64479E+00 -0.78937E+00 2720 0.272E+00 0.235E+00 DAV: 3 -0.355191839340E+04 0.32558E-01 -0.25900E-01 2800 0.537E-01 0.152E+00 DAV: 4 -0.355191632265E+04 0.20707E-02 -0.21526E-01 2824 0.504E-01 0.871E-01 DAV: 5 -0.355191209907E+04 0.42236E-02 -0.12363E-01 2824 0.287E-01 0.404E-01 DAV: 6 -0.355191075181E+04 0.13473E-02 -0.16275E-02 2784 0.145E-01 0.252E-01 DAV: 7 -0.355191020419E+04 0.54762E-03 -0.87987E-03 2760 0.106E-01 0.127E-01 DAV: 8 -0.355190993506E+04 0.26913E-03 -0.23674E-03 2744 0.562E-02 0.669E-02 DAV: 9 -0.355190978974E+04 0.14532E-03 -0.40609E-04 2896 0.385E-02 0.367E-02 DAV: 10 -0.355190971230E+04 0.77435E-04 -0.35771E-04 2872 0.369E-02 0.275E-02 DAV: 11 -0.355190968429E+04 0.28006E-04 -0.20303E-04 2816 0.224E-02 0.151E-02 DAV: 12 -0.355190967088E+04 0.13412E-04 -0.36953E-05 2240 0.105E-02 0.977E-03 DAV: 13 -0.355190966112E+04 0.97624E-05 -0.11623E-05 1824 0.114E-02 78 F= -.35519097E+04 E0= -.35519364E+04 d E =-.637139E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355187155517E+04 0.38116E-01 -0.47086E+01 2336 0.737E+00 0.151E+00 DAV: 2 -0.355197300201E+04 -0.10145E+00 -0.12471E+00 2712 0.108E+00 0.949E-01 DAV: 3 -0.355196796387E+04 0.50381E-02 -0.49454E-02 2792 0.223E-01 0.624E-01 DAV: 4 -0.355196757725E+04 0.38663E-03 -0.41146E-02 2856 0.194E-01 0.404E-01 DAV: 5 -0.355196652931E+04 0.10479E-02 -0.24231E-02 2736 0.128E-01 0.143E-01 DAV: 6 -0.355196645506E+04 0.74250E-04 -0.19804E-03 2640 0.575E-02 0.897E-02 DAV: 7 -0.355196640097E+04 0.54094E-04 -0.12450E-03 2752 0.454E-02 0.388E-02 DAV: 8 -0.355196639166E+04 0.93108E-05 -0.14203E-04 2712 0.158E-02 0.221E-02 DAV: 9 -0.355196639077E+04 0.88655E-06 -0.70868E-05 2464 0.119E-02 79 F= -.35519664E+04 E0= -.35519930E+04 d E =-.693869E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355211202403E+04 -0.14563E+00 -0.19520E+02 2336 0.150E+01 0.314E+00 DAV: 2 -0.355253544149E+04 -0.42342E+00 -0.52621E+00 2744 0.222E+00 0.191E+00 DAV: 3 -0.355251381552E+04 0.21626E-01 -0.19909E-01 2784 0.453E-01 0.125E+00 DAV: 4 -0.355251357373E+04 0.24179E-03 -0.18638E-01 2824 0.394E-01 0.744E-01 DAV: 5 -0.355250883937E+04 0.47344E-02 -0.58428E-02 2712 0.251E-01 0.287E-01 DAV: 6 -0.355250846965E+04 0.36972E-03 -0.85416E-03 2704 0.120E-01 0.185E-01 DAV: 7 -0.355250827586E+04 0.19379E-03 -0.48431E-03 2776 0.828E-02 0.874E-02 DAV: 8 -0.355250821989E+04 0.55971E-04 -0.96767E-04 2776 0.299E-02 0.542E-02 DAV: 9 -0.355250820406E+04 0.15830E-04 -0.31622E-04 2704 0.233E-02 0.287E-02 DAV: 10 -0.355250821205E+04 -0.79955E-05 -0.16387E-04 2688 0.148E-02 0.191E-02 DAV: 11 -0.355250821561E+04 -0.35596E-05 -0.24451E-05 2096 0.667E-03 80 F= -.35525082E+04 E0= -.35525351E+04 d E =-.541825E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355243410750E+04 0.74105E-01 -0.85643E+01 2336 0.992E+00 0.206E+00 DAV: 2 -0.355261811849E+04 -0.18401E+00 -0.22775E+00 2728 0.146E+00 0.125E+00 DAV: 3 -0.355260906515E+04 0.90533E-02 -0.84934E-02 2800 0.299E-01 0.823E-01 DAV: 4 -0.355260927138E+04 -0.20623E-03 -0.89193E-02 2848 0.262E-01 0.527E-01 DAV: 5 -0.355260673562E+04 0.25358E-02 -0.36006E-02 2768 0.177E-01 0.191E-01 DAV: 6 -0.355260665797E+04 0.77645E-04 -0.41865E-03 2648 0.799E-02 0.131E-01 DAV: 7 -0.355260653271E+04 0.12526E-03 -0.20938E-03 2800 0.563E-02 0.592E-02 DAV: 8 -0.355260651450E+04 0.18209E-04 -0.35838E-04 2712 0.209E-02 0.350E-02 DAV: 9 -0.355260651414E+04 0.35843E-06 -0.96764E-05 2656 0.148E-02 81 F= -.35526065E+04 E0= -.35526337E+04 d E =-.640123E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355277208268E+04 -0.16557E+00 -0.18117E+02 2336 0.144E+01 0.297E+00 DAV: 2 -0.355316287336E+04 -0.39079E+00 -0.47464E+00 2736 0.212E+00 0.180E+00 DAV: 3 -0.355314547594E+04 0.17397E-01 -0.10685E-01 2776 0.389E-01 0.116E+00 DAV: 4 -0.355314458611E+04 0.88983E-03 -0.95283E-02 2760 0.417E-01 0.516E-01 DAV: 5 -0.355314370585E+04 0.88027E-03 -0.52269E-02 2808 0.197E-01 0.316E-01 DAV: 6 -0.355314273552E+04 0.97033E-03 -0.79679E-03 2712 0.106E-01 0.172E-01 DAV: 7 -0.355314260712E+04 0.12840E-03 -0.47774E-03 2784 0.802E-02 0.870E-02 DAV: 8 -0.355314255352E+04 0.53593E-04 -0.11377E-03 2768 0.304E-02 0.538E-02 DAV: 9 -0.355314251919E+04 0.34329E-04 -0.23399E-04 2648 0.210E-02 0.259E-02 DAV: 10 -0.355314252043E+04 -0.12342E-05 -0.14056E-04 2680 0.164E-02 0.185E-02 DAV: 11 -0.355314251610E+04 0.43258E-05 -0.25046E-05 2080 0.834E-03 82 F= -.35531425E+04 E0= -.35531706E+04 d E =-.536002E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355295183740E+04 0.19068E+00 -0.18121E+02 2336 0.144E+01 0.296E+00 DAV: 2 -0.355334297858E+04 -0.39114E+00 -0.47441E+00 2704 0.212E+00 0.180E+00 DAV: 3 -0.355332529319E+04 0.17685E-01 -0.10796E-01 2776 0.389E-01 0.116E+00 DAV: 4 -0.355332516906E+04 0.12413E-03 -0.10465E-01 2784 0.420E-01 0.540E-01 DAV: 5 -0.355332352500E+04 0.16441E-02 -0.62336E-02 2760 0.208E-01 0.324E-01 DAV: 6 -0.355332252169E+04 0.10033E-02 -0.90201E-03 2672 0.108E-01 0.182E-01 DAV: 7 -0.355332236587E+04 0.15582E-03 -0.51683E-03 2776 0.840E-02 0.933E-02 DAV: 8 -0.355332230265E+04 0.63218E-04 -0.10504E-03 2848 0.312E-02 0.543E-02 DAV: 9 -0.355332227295E+04 0.29697E-04 -0.19871E-04 2680 0.213E-02 0.249E-02 DAV: 10 -0.355332227885E+04 -0.58943E-05 -0.14178E-04 2696 0.155E-02 0.189E-02 DAV: 11 -0.355332227520E+04 0.36484E-05 -0.20756E-05 1984 0.770E-03 83 F= -.35533223E+04 E0= -.35533510E+04 d E =-.715761E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355341723289E+04 -0.94954E-01 -0.24636E+02 2336 0.168E+01 0.344E+00 DAV: 2 -0.355394965012E+04 -0.53242E+00 -0.65198E+00 2704 0.246E+00 0.214E+00 DAV: 3 -0.355392414098E+04 0.25509E-01 -0.28198E-01 2824 0.514E-01 0.142E+00 DAV: 4 -0.355392428449E+04 -0.14351E-03 -0.27685E-01 2816 0.458E-01 0.953E-01 DAV: 5 -0.355391639191E+04 0.78926E-02 -0.10206E-01 2760 0.329E-01 0.355E-01 DAV: 6 -0.355391581311E+04 0.57880E-03 -0.14781E-02 2672 0.142E-01 0.251E-01 DAV: 7 -0.355391519143E+04 0.62168E-03 -0.58641E-03 2736 0.999E-02 0.103E-01 DAV: 8 -0.355391512673E+04 0.64703E-04 -0.12058E-03 2760 0.394E-02 0.531E-02 DAV: 9 -0.355391511090E+04 0.15825E-04 -0.18978E-04 2688 0.196E-02 0.275E-02 DAV: 10 -0.355391511228E+04 -0.13808E-05 -0.13499E-04 2696 0.172E-02 0.176E-02 DAV: 11 -0.355391511004E+04 0.22368E-05 -0.26560E-05 2056 0.796E-03 84 F= -.35539151E+04 E0= -.35539443E+04 d E =-.592835E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355376448426E+04 0.15063E+00 -0.13951E+02 2336 0.126E+01 0.257E+00 DAV: 2 -0.355406331159E+04 -0.29883E+00 -0.36651E+00 2688 0.185E+00 0.162E+00 DAV: 3 -0.355404940898E+04 0.13903E-01 -0.18092E-01 2816 0.391E-01 0.109E+00 DAV: 4 -0.355404872427E+04 0.68471E-03 -0.17614E-01 2832 0.340E-01 0.760E-01 DAV: 5 -0.355404382214E+04 0.49021E-02 -0.68242E-02 2728 0.256E-01 0.241E-01 DAV: 6 -0.355404369982E+04 0.12232E-03 -0.75250E-03 2632 0.108E-01 0.170E-01 DAV: 7 -0.355404343715E+04 0.26267E-03 -0.31609E-03 2728 0.744E-02 0.687E-02 DAV: 8 -0.355404340976E+04 0.27387E-04 -0.48640E-04 2720 0.264E-02 0.403E-02 DAV: 9 -0.355404339627E+04 0.13496E-04 -0.11368E-04 2648 0.166E-02 0.185E-02 DAV: 10 -0.355404340081E+04 -0.45388E-05 -0.63407E-05 2536 0.108E-02 85 F= -.35540434E+04 E0= -.35540726E+04 d E =-.721126E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355405429821E+04 -0.10902E-01 -0.26091E+02 2336 0.172E+01 0.358E+00 DAV: 2 -0.355462041312E+04 -0.56611E+00 -0.68506E+00 2696 0.251E+00 0.212E+00 DAV: 3 -0.355459399607E+04 0.26417E-01 -0.14581E-01 2768 0.461E-01 0.136E+00 DAV: 4 -0.355459822699E+04 -0.42309E-02 -0.19040E-01 2768 0.512E-01 0.741E-01 DAV: 5 -0.355459182462E+04 0.64024E-02 -0.11499E-01 2768 0.265E-01 0.401E-01 DAV: 6 -0.355459032742E+04 0.14972E-02 -0.94533E-03 2592 0.131E-01 0.210E-01 DAV: 7 -0.355459007186E+04 0.25555E-03 -0.57982E-03 2728 0.944E-02 0.808E-02 DAV: 8 -0.355459004342E+04 0.28445E-04 -0.53532E-04 2736 0.300E-02 0.471E-02 DAV: 9 -0.355459003348E+04 0.99366E-05 -0.27765E-04 2680 0.245E-02 0.222E-02 DAV: 10 -0.355459003779E+04 -0.43057E-05 -0.60589E-05 2624 0.996E-03 86 F= -.35545900E+04 E0= -.35546190E+04 d E =-.546637E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355435327768E+04 0.23676E+00 -0.18356E+02 2336 0.145E+01 0.298E+00 DAV: 2 -0.355474727602E+04 -0.39400E+00 -0.47600E+00 2696 0.209E+00 0.177E+00 DAV: 3 -0.355472907637E+04 0.18200E-01 -0.97619E-02 2768 0.382E-01 0.113E+00 DAV: 4 -0.355473153844E+04 -0.24621E-02 -0.13053E-01 2784 0.420E-01 0.596E-01 DAV: 5 -0.355472756291E+04 0.39755E-02 -0.81141E-02 2776 0.217E-01 0.329E-01 DAV: 6 -0.355472652024E+04 0.10427E-02 -0.58836E-03 2664 0.110E-01 0.173E-01 DAV: 7 -0.355472630549E+04 0.21475E-03 -0.38722E-03 2744 0.799E-02 0.689E-02 DAV: 8 -0.355472625126E+04 0.54230E-04 -0.44290E-04 2800 0.315E-02 0.428E-02 DAV: 9 -0.355472619231E+04 0.58955E-04 -0.20157E-04 2792 0.288E-02 0.223E-02 DAV: 10 -0.355472616074E+04 0.31571E-04 -0.11856E-04 2936 0.219E-02 0.179E-02 DAV: 11 -0.355472612449E+04 0.36241E-04 -0.35995E-05 2424 0.208E-02 0.126E-02 DAV: 12 -0.355472606688E+04 0.57615E-04 -0.80907E-05 2632 0.318E-02 0.126E-02 DAV: 13 -0.355472601065E+04 0.56231E-04 -0.19862E-04 2928 0.381E-02 0.115E-02 DAV: 14 -0.355472598492E+04 0.25732E-04 -0.23018E-04 2968 0.373E-02 0.852E-03 DAV: 15 -0.355472600259E+04 -0.17671E-04 -0.21863E-04 2632 0.152E-02 0.133E-02 DAV: 16 -0.355472600280E+04 -0.21749E-06 -0.46702E-06 1592 0.209E-03 87 F= -.35547260E+04 E0= -.35547488E+04 d E =-.682602E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355467502626E+04 0.50976E-01 -0.32571E+02 2336 0.193E+01 0.401E+00 DAV: 2 -0.355537173726E+04 -0.69671E+00 -0.85633E+00 2624 0.282E+00 0.245E+00 DAV: 3 -0.355533804477E+04 0.33692E-01 -0.25367E-01 2776 0.556E-01 0.160E+00 DAV: 4 -0.355534180469E+04 -0.37599E-02 -0.27401E-01 2848 0.547E-01 0.888E-01 DAV: 5 -0.355533198733E+04 0.98174E-02 -0.45033E-02 2752 0.298E-01 0.397E-01 DAV: 6 -0.355533052295E+04 0.14644E-02 -0.14347E-02 2736 0.164E-01 0.211E-01 DAV: 7 -0.355533029808E+04 0.22487E-03 -0.66509E-03 2752 0.101E-01 0.100E-01 DAV: 8 -0.355533014820E+04 0.14988E-03 -0.11484E-03 2832 0.472E-02 0.694E-02 DAV: 9 -0.355532995678E+04 0.19141E-03 -0.62154E-04 2928 0.449E-02 0.346E-02 DAV: 10 -0.355532986822E+04 0.88564E-04 -0.31459E-04 2816 0.321E-02 0.340E-02 DAV: 11 -0.355532977813E+04 0.90087E-04 -0.15737E-04 2856 0.275E-02 0.208E-02 DAV: 12 -0.355532963688E+04 0.14126E-03 -0.16186E-04 3176 0.429E-02 0.188E-02 DAV: 13 -0.355532951869E+04 0.11819E-03 -0.43715E-04 3128 0.545E-02 0.190E-02 DAV: 14 -0.355532954625E+04 -0.27564E-04 -0.44642E-04 2600 0.213E-02 0.188E-02 DAV: 15 -0.355532953826E+04 0.79912E-05 -0.18013E-05 1936 0.946E-03 88 F= -.35553295E+04 E0= -.35553592E+04 d E =-.603535E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355518116468E+04 0.14838E+00 -0.12936E+02 2336 0.121E+01 0.249E+00 DAV: 2 -0.355545110093E+04 -0.26994E+00 -0.33199E+00 2648 0.176E+00 0.153E+00 DAV: 3 -0.355543869579E+04 0.12405E-01 -0.11502E-01 2792 0.354E-01 0.101E+00 DAV: 4 -0.355544142504E+04 -0.27293E-02 -0.13048E-01 2872 0.338E-01 0.677E-01 DAV: 5 -0.355543581776E+04 0.56073E-02 -0.29620E-02 2760 0.220E-01 0.235E-01 DAV: 6 -0.355543564704E+04 0.17072E-03 -0.56952E-03 2688 0.979E-02 0.144E-01 DAV: 7 -0.355543551934E+04 0.12770E-03 -0.28606E-03 2752 0.676E-02 0.604E-02 DAV: 8 -0.355543549930E+04 0.20044E-04 -0.34610E-04 2896 0.232E-02 0.348E-02 DAV: 9 -0.355543549525E+04 0.40468E-05 -0.14750E-04 2632 0.167E-02 0.188E-02 DAV: 10 -0.355543549525E+04 -0.50932E-09 -0.29064E-05 2080 0.663E-03 89 F= -.35554355E+04 E0= -.35554659E+04 d E =-.709492E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355535941725E+04 0.76078E-01 -0.33866E+02 2336 0.196E+01 0.411E+00 DAV: 2 -0.355606932003E+04 -0.70990E+00 -0.87400E+00 2664 0.286E+00 0.251E+00 DAV: 3 -0.355603407920E+04 0.35241E-01 -0.20654E-01 2776 0.535E-01 0.161E+00 DAV: 4 -0.355603442395E+04 -0.34474E-03 -0.21035E-01 2768 0.575E-01 0.738E-01 DAV: 5 -0.355602935492E+04 0.50690E-02 -0.90734E-02 2736 0.269E-01 0.424E-01 DAV: 6 -0.355602766121E+04 0.16937E-02 -0.14734E-02 2640 0.152E-01 0.223E-01 DAV: 7 -0.355602739478E+04 0.26643E-03 -0.74716E-03 2768 0.102E-01 0.977E-02 DAV: 8 -0.355602735264E+04 0.42142E-04 -0.11110E-03 2736 0.338E-02 0.628E-02 DAV: 9 -0.355602731507E+04 0.37573E-04 -0.34328E-04 2704 0.265E-02 0.246E-02 DAV: 10 -0.355602731923E+04 -0.41609E-05 -0.10485E-04 2656 0.128E-02 0.191E-02 DAV: 11 -0.355602731572E+04 0.35129E-05 -0.26226E-05 2104 0.921E-03 90 F= -.35560273E+04 E0= -.35560568E+04 d E =-.591820E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355592897138E+04 0.98348E-01 -0.91452E+01 2336 0.102E+01 0.210E+00 DAV: 2 -0.355611608105E+04 -0.18711E+00 -0.23071E+00 2672 0.147E+00 0.130E+00 DAV: 3 -0.355610704671E+04 0.90343E-02 -0.53744E-02 2760 0.274E-01 0.828E-01 DAV: 4 -0.355610688777E+04 0.15894E-03 -0.54711E-02 2776 0.292E-01 0.370E-01 DAV: 5 -0.355610585692E+04 0.10309E-02 -0.28238E-02 2776 0.136E-01 0.216E-01 DAV: 6 -0.355610537855E+04 0.47836E-03 -0.39105E-03 2688 0.774E-02 0.110E-01 DAV: 7 -0.355610532528E+04 0.53272E-04 -0.18120E-03 2736 0.514E-02 0.494E-02 DAV: 8 -0.355610531747E+04 0.78080E-05 -0.29570E-04 2712 0.179E-02 0.344E-02 DAV: 9 -0.355610530560E+04 0.11875E-04 -0.11300E-04 2584 0.131E-02 0.151E-02 DAV: 10 -0.355610530646E+04 -0.86441E-06 -0.34705E-05 2248 0.788E-03 91 F= -.35561053E+04 E0= -.35561341E+04 d E =-.669811E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355601412460E+04 0.91181E-01 -0.33983E+02 2336 0.196E+01 0.416E+00 DAV: 2 -0.355673096414E+04 -0.71684E+00 -0.88672E+00 2696 0.286E+00 0.249E+00 DAV: 3 -0.355669643305E+04 0.34531E-01 -0.24577E-01 2800 0.549E-01 0.161E+00 DAV: 4 -0.355669712711E+04 -0.69406E-03 -0.18109E-01 2760 0.534E-01 0.926E-01 DAV: 5 -0.355669313082E+04 0.39963E-02 -0.12918E-01 2744 0.291E-01 0.439E-01 DAV: 6 -0.355669110387E+04 0.20270E-02 -0.15994E-02 2784 0.149E-01 0.256E-01 DAV: 7 -0.355669067132E+04 0.43255E-03 -0.92498E-03 2744 0.109E-01 0.113E-01 DAV: 8 -0.355669057672E+04 0.94598E-04 -0.25927E-03 2728 0.424E-02 0.719E-02 DAV: 9 -0.355669054339E+04 0.33327E-04 -0.59105E-04 2680 0.235E-02 0.352E-02 DAV: 10 -0.355669054558E+04 -0.21941E-05 -0.16417E-04 2696 0.169E-02 0.228E-02 DAV: 11 -0.355669054548E+04 0.10584E-06 -0.49420E-05 2232 0.843E-03 92 F= -.35566905E+04 E0= -.35567187E+04 d E =-.585239E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355636909257E+04 0.32145E+00 -0.23922E+02 2336 0.165E+01 0.347E+00 DAV: 2 -0.355686750791E+04 -0.49842E+00 -0.61638E+00 2704 0.239E+00 0.207E+00 DAV: 3 -0.355684354203E+04 0.23966E-01 -0.16586E-01 2792 0.457E-01 0.134E+00 DAV: 4 -0.355684554175E+04 -0.19997E-02 -0.13303E-01 2800 0.444E-01 0.909E-01 DAV: 5 -0.355684239211E+04 0.31496E-02 -0.15469E-01 2816 0.253E-01 0.423E-01 DAV: 6 -0.355684049399E+04 0.18981E-02 -0.14215E-02 2776 0.127E-01 0.268E-01 DAV: 7 -0.355683975139E+04 0.74260E-03 -0.87660E-03 2744 0.104E-01 0.102E-01 DAV: 8 -0.355683971026E+04 0.41136E-04 -0.23363E-03 2656 0.417E-02 0.643E-02 DAV: 9 -0.355683969390E+04 0.16359E-04 -0.36776E-04 2680 0.195E-02 0.296E-02 DAV: 10 -0.355683970165E+04 -0.77559E-05 -0.11856E-04 2688 0.146E-02 0.203E-02 DAV: 11 -0.355683970472E+04 -0.30702E-05 -0.34061E-05 1992 0.671E-03 93 F= -.35568397E+04 E0= -.35568673E+04 d E =-.734398E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355668533232E+04 0.15437E+00 -0.35352E+02 2336 0.200E+01 0.420E+00 DAV: 2 -0.355744262305E+04 -0.75729E+00 -0.92471E+00 2664 0.291E+00 0.258E+00 DAV: 3 -0.355740434155E+04 0.38282E-01 -0.26484E-01 2816 0.565E-01 0.167E+00 DAV: 4 -0.355740282212E+04 0.15194E-02 -0.14470E-01 2824 0.541E-01 0.106E+00 DAV: 5 -0.355740141563E+04 0.14065E-02 -0.22567E-01 2824 0.296E-01 0.496E-01 DAV: 6 -0.355739849807E+04 0.29176E-02 -0.13816E-02 2768 0.154E-01 0.313E-01 DAV: 7 -0.355739724747E+04 0.12506E-02 -0.12786E-02 2744 0.126E-01 0.117E-01 DAV: 8 -0.355739718090E+04 0.66568E-04 -0.34072E-03 2720 0.517E-02 0.800E-02 DAV: 9 -0.355739711188E+04 0.69026E-04 -0.60283E-04 2648 0.266E-02 0.375E-02 DAV: 10 -0.355739708199E+04 0.29888E-04 -0.16032E-04 2688 0.232E-02 0.224E-02 DAV: 11 -0.355739707520E+04 0.67923E-05 -0.92034E-05 2776 0.131E-02 94 F= -.35573971E+04 E0= -.35574264E+04 d E =-.557370E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355722476440E+04 0.17232E+00 -0.13280E+02 2336 0.123E+01 0.255E+00 DAV: 2 -0.355750290782E+04 -0.27814E+00 -0.34016E+00 2656 0.177E+00 0.156E+00 DAV: 3 -0.355748943235E+04 0.13475E-01 -0.96145E-02 2792 0.343E-01 0.101E+00 DAV: 4 -0.355749069558E+04 -0.12632E-02 -0.51929E-02 2840 0.332E-01 0.764E-01 DAV: 5 -0.355748851785E+04 0.21777E-02 -0.10366E-01 2840 0.198E-01 0.335E-01 DAV: 6 -0.355748746224E+04 0.10556E-02 -0.60244E-03 2736 0.966E-02 0.208E-01 DAV: 7 -0.355748699434E+04 0.46790E-03 -0.48091E-03 2744 0.793E-02 0.778E-02 DAV: 8 -0.355748696650E+04 0.27836E-04 -0.12458E-03 2696 0.326E-02 0.486E-02 DAV: 9 -0.355748694729E+04 0.19216E-04 -0.16065E-04 2656 0.153E-02 0.232E-02 DAV: 10 -0.355748694546E+04 0.18235E-05 -0.77354E-05 2560 0.131E-02 95 F= -.35574869E+04 E0= -.35575170E+04 d E =-.647241E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355746872633E+04 0.18221E-01 -0.25773E+02 2336 0.171E+01 0.356E+00 DAV: 2 -0.355801203433E+04 -0.54331E+00 -0.66415E+00 2656 0.246E+00 0.219E+00 DAV: 3 -0.355798365690E+04 0.28377E-01 -0.18401E-01 2776 0.481E-01 0.141E+00 DAV: 4 -0.355798554406E+04 -0.18872E-02 -0.13375E-01 2808 0.476E-01 0.946E-01 DAV: 5 -0.355798225236E+04 0.32917E-02 -0.17491E-01 2824 0.257E-01 0.465E-01 DAV: 6 -0.355797970711E+04 0.25453E-02 -0.15239E-02 2792 0.134E-01 0.285E-01 DAV: 7 -0.355797886423E+04 0.84288E-03 -0.96213E-03 2736 0.113E-01 0.107E-01 DAV: 8 -0.355797879690E+04 0.67325E-04 -0.19595E-03 2664 0.447E-02 0.669E-02 DAV: 9 -0.355797876388E+04 0.33020E-04 -0.37274E-04 2696 0.222E-02 0.298E-02 DAV: 10 -0.355797876033E+04 0.35546E-05 -0.12560E-04 2672 0.152E-02 0.192E-02 DAV: 11 -0.355797875842E+04 0.19080E-05 -0.28167E-05 2112 0.742E-03 96 F= -.35579788E+04 E0= -.35580091E+04 d E =-.491813E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355781422928E+04 0.16453E+00 -0.13949E+02 2336 0.126E+01 0.260E+00 DAV: 2 -0.355810476474E+04 -0.29054E+00 -0.35486E+00 2664 0.180E+00 0.161E+00 DAV: 3 -0.355808970457E+04 0.15060E-01 -0.98944E-02 2776 0.351E-01 0.104E+00 DAV: 4 -0.355809161146E+04 -0.19069E-02 -0.78994E-02 2840 0.348E-01 0.756E-01 DAV: 5 -0.355808874779E+04 0.28637E-02 -0.10077E-01 2848 0.196E-01 0.353E-01 DAV: 6 -0.355808741928E+04 0.13285E-02 -0.61068E-03 2776 0.997E-02 0.210E-01 DAV: 7 -0.355808698225E+04 0.43703E-03 -0.48446E-03 2736 0.823E-02 0.789E-02 DAV: 8 -0.355808695060E+04 0.31645E-04 -0.91905E-04 2656 0.327E-02 0.476E-02 DAV: 9 -0.355808693468E+04 0.15923E-04 -0.17486E-04 2704 0.162E-02 0.211E-02 DAV: 10 -0.355808693569E+04 -0.10062E-05 -0.68963E-05 2520 0.116E-02 97 F= -.35580869E+04 E0= -.35581174E+04 d E =-.599990E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355801245967E+04 0.74475E-01 -0.27446E+02 2336 0.175E+01 0.373E+00 DAV: 2 -0.355859077570E+04 -0.57832E+00 -0.71155E+00 2664 0.253E+00 0.224E+00 DAV: 3 -0.355856142695E+04 0.29349E-01 -0.17806E-01 2776 0.482E-01 0.144E+00 DAV: 4 -0.355856794797E+04 -0.65210E-02 -0.14218E-01 2832 0.495E-01 0.124E+00 DAV: 5 -0.355856090777E+04 0.70402E-02 -0.28001E-01 2904 0.272E-01 0.541E-01 DAV: 6 -0.355855824957E+04 0.26582E-02 -0.16291E-02 2768 0.146E-01 0.342E-01 DAV: 7 -0.355855702162E+04 0.12279E-02 -0.11514E-02 2728 0.122E-01 0.129E-01 DAV: 8 -0.355855688225E+04 0.13937E-03 -0.23123E-03 2688 0.510E-02 0.712E-02 DAV: 9 -0.355855686585E+04 0.16401E-04 -0.49555E-04 2680 0.237E-02 0.328E-02 DAV: 10 -0.355855686488E+04 0.96850E-06 -0.13402E-04 2664 0.148E-02 0.211E-02 DAV: 11 -0.355855686553E+04 -0.64798E-06 -0.34975E-05 2104 0.722E-03 98 F= -.35585569E+04 E0= -.35585876E+04 d E =-.469930E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355841576599E+04 0.14110E+00 -0.11483E+02 2336 0.114E+01 0.238E+00 DAV: 2 -0.355865257234E+04 -0.23681E+00 -0.29102E+00 2664 0.162E+00 0.143E+00 DAV: 3 -0.355864095979E+04 0.11613E-01 -0.73127E-02 2768 0.306E-01 0.918E-01 DAV: 4 -0.355864571015E+04 -0.47504E-02 -0.66997E-02 2848 0.316E-01 0.942E-01 DAV: 5 -0.355864047779E+04 0.52324E-02 -0.13176E-01 2928 0.184E-01 0.365E-01 DAV: 6 -0.355863969663E+04 0.78116E-03 -0.47485E-03 2728 0.940E-02 0.217E-01 DAV: 7 -0.355863925081E+04 0.44582E-03 -0.48510E-03 2704 0.770E-02 0.776E-02 DAV: 8 -0.355863922275E+04 0.28059E-04 -0.83684E-04 2656 0.309E-02 0.439E-02 DAV: 9 -0.355863921951E+04 0.32380E-05 -0.15308E-04 2696 0.144E-02 0.203E-02 DAV: 10 -0.355863922412E+04 -0.46095E-05 -0.57588E-05 2480 0.994E-03 99 F= -.35586392E+04 E0= -.35586701E+04 d E =-.552288E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355856114682E+04 0.78073E-01 -0.28929E+02 2336 0.180E+01 0.383E+00 DAV: 2 -0.355915986414E+04 -0.59872E+00 -0.74229E+00 2688 0.259E+00 0.234E+00 DAV: 3 -0.355912963410E+04 0.30230E-01 -0.20342E-01 2792 0.517E-01 0.153E+00 DAV: 4 -0.355913898118E+04 -0.93471E-02 -0.11928E-01 2808 0.497E-01 0.151E+00 DAV: 5 -0.355912908473E+04 0.98965E-02 -0.45073E-01 2968 0.309E-01 0.607E-01 DAV: 6 -0.355912604780E+04 0.30369E-02 -0.20869E-02 2768 0.166E-01 0.414E-01 DAV: 7 -0.355912397583E+04 0.20720E-02 -0.12661E-02 2696 0.132E-01 0.174E-01 DAV: 8 -0.355912373071E+04 0.24512E-03 -0.42609E-03 2736 0.596E-02 0.738E-02 DAV: 9 -0.355912374794E+04 -0.17227E-04 -0.43667E-04 2688 0.256E-02 0.364E-02 DAV: 10 -0.355912374534E+04 0.25951E-05 -0.16080E-04 2664 0.162E-02 0.212E-02 DAV: 11 -0.355912374580E+04 -0.45355E-06 -0.42325E-05 2120 0.813E-03 100 F= -.35591237E+04 E0= -.35591551E+04 d E =-.484522E+00