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 DAV: 14 -0.325023309194E+04 0.55457E-01 -0.18411E+00 2904 0.104E+00 0.236E+00 DAV: 15 -0.325018137489E+04 0.51717E-01 -0.50532E-01 2808 0.575E-01 0.120E+00 DAV: 16 -0.325017868160E+04 0.26933E-02 -0.11584E-01 2872 0.417E-01 0.114E+00 DAV: 17 -0.325017310771E+04 0.55739E-02 -0.64472E-02 2784 0.324E-01 0.982E-01 DAV: 18 -0.325016726716E+04 0.58406E-02 -0.21209E-02 2888 0.230E-01 0.564E-01 DAV: 19 -0.325016623356E+04 0.10336E-02 -0.13011E-02 2720 0.159E-01 0.347E-01 DAV: 20 -0.325016725189E+04 -0.10183E-02 -0.88244E-03 2752 0.114E-01 0.244E-01 DAV: 21 -0.325016940174E+04 -0.21498E-02 -0.42169E-03 2688 0.828E-02 0.162E-01 DAV: 22 -0.325017229921E+04 -0.28975E-02 -0.25368E-03 2696 0.652E-02 0.136E-01 DAV: 23 -0.325017549351E+04 -0.31943E-02 -0.17137E-03 2688 0.565E-02 0.921E-02 DAV: 24 -0.325017805491E+04 -0.25614E-02 -0.10613E-03 2696 0.413E-02 0.656E-02 DAV: 25 -0.325017950909E+04 -0.14542E-02 -0.46786E-04 2704 0.236E-02 0.410E-02 DAV: 26 -0.325018022357E+04 -0.71448E-03 -0.20424E-04 2720 0.161E-02 0.293E-02 DAV: 27 -0.325018070668E+04 -0.48311E-03 -0.10553E-04 2584 0.118E-02 0.190E-02 DAV: 28 -0.325018104864E+04 -0.34196E-03 -0.45052E-05 2192 0.817E-03 0.141E-02 DAV: 29 -0.325018122384E+04 -0.17520E-03 -0.22311E-05 2008 0.649E-03 0.919E-03 DAV: 30 -0.325018131622E+04 -0.92381E-04 -0.14342E-05 1824 0.473E-03 0.624E-03 DAV: 31 -0.325018136603E+04 -0.49810E-04 -0.72891E-06 1784 0.315E-03 0.419E-03 DAV: 32 -0.325018139168E+04 -0.25650E-04 -0.43728E-06 1744 0.249E-03 0.305E-03 DAV: 33 -0.325018140392E+04 -0.12234E-04 -0.26739E-06 1744 0.176E-03 0.209E-03 DAV: 34 -0.325018140955E+04 -0.56348E-05 -0.12669E-06 1680 0.107E-03 1 F= -.32501814E+04 E0= -.32501481E+04 d E =-.325018E+04 N E dE d eps ncg rms rms(c) DAV: 1 -0.196242385472E+04 0.12878E+04 -0.84422E+04 2560 0.314E+02 0.227E+02 DAV: 2 -0.305550123143E+04 -0.10931E+04 -0.10655E+04 2848 0.104E+02 0.104E+02 DAV: 3 -0.299565325771E+04 0.59848E+02 -0.78976E+02 2832 0.339E+01 0.726E+01 DAV: 4 -0.297183575698E+04 0.23818E+02 -0.25414E+02 2752 0.197E+01 0.464E+01 DAV: 5 -0.296606607692E+04 0.57697E+01 -0.64147E+01 2960 0.108E+01 0.323E+01 DAV: 6 -0.296371319686E+04 0.23529E+01 -0.43730E+01 2824 0.556E+00 0.248E+01 DAV: 7 -0.296208037554E+04 0.16328E+01 -0.53182E+00 2944 0.328E+00 0.175E+01 DAV: 8 -0.296210166536E+04 -0.21290E-01 -0.33187E+01 3064 0.381E+00 0.128E+01 DAV: 9 -0.296111398915E+04 0.98768E+00 -0.19823E+00 2816 0.198E+00 0.626E+00 DAV: 10 -0.296129595709E+04 -0.18197E+00 -0.41722E+00 2888 0.151E+00 0.102E+01 DAV: 11 -0.296074608165E+04 0.54988E+00 -0.23143E+00 2848 0.904E-01 0.241E+00 DAV: 12 -0.296077025753E+04 -0.24176E-01 -0.37156E-01 2720 0.559E-01 0.145E+00 DAV: 13 -0.296073952755E+04 0.30730E-01 -0.14923E-01 2872 0.454E-01 0.986E-01 DAV: 14 -0.296072625548E+04 0.13272E-01 -0.56272E-02 2800 0.368E-01 0.623E-01 DAV: 15 -0.296072393221E+04 0.23233E-02 -0.31631E-02 2784 0.215E-01 0.417E-01 DAV: 16 -0.296072227888E+04 0.16533E-02 -0.10356E-02 2704 0.153E-01 0.298E-01 DAV: 17 -0.296072320188E+04 -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 -0.296072636905E+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 -0.296072933132E+04 -0.48923E-04 -0.92865E-06 1864 0.610E-03 0.431E-03 DAV: 27 -0.296072934476E+04 -0.13432E-04 -0.77348E-06 1784 0.372E-03 0.281E-03 DAV: 28 -0.296072935352E+04 -0.87610E-05 -0.22796E-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: 1 -0.309099662951E+04 -0.13027E+03 -0.36961E+04 2392 0.205E+02 0.110E+02 DAV: 2 -0.341843033662E+04 -0.32743E+03 -0.38897E+03 2992 0.591E+01 0.661E+01 DAV: 3 -0.339229682161E+04 0.26134E+02 -0.36153E+02 2936 0.211E+01 0.477E+01 DAV: 4 -0.338050517320E+04 0.11792E+02 -0.10940E+02 2840 0.137E+01 0.302E+01 DAV: 5 -0.337980929314E+04 0.69588E+00 -0.52768E+01 2808 0.904E+00 0.212E+01 DAV: 6 -0.337817648022E+04 0.16328E+01 -0.78035E+00 2904 0.426E+00 0.154E+01 DAV: 7 -0.337760478689E+04 0.57169E+00 -0.35881E+00 2800 0.225E+00 0.875E+00 DAV: 8 -0.337751378549E+04 0.91001E-01 -0.85887E+00 3184 0.242E+00 0.414E+00 DAV: 9 -0.337730726160E+04 0.20652E+00 -0.18235E+00 2832 0.137E+00 0.207E+00 DAV: 10 -0.337725898044E+04 0.48281E-01 -0.28073E-01 2744 0.598E-01 0.132E+00 DAV: 11 -0.337724371991E+04 0.15261E-01 -0.83925E-02 2744 0.376E-01 0.748E-01 DAV: 12 -0.337724236173E+04 0.13582E-02 -0.45348E-02 2816 0.291E-01 0.472E-01 DAV: 13 -0.337724369533E+04 -0.13336E-02 -0.28223E-02 2720 0.184E-01 0.262E-01 DAV: 14 -0.337724555477E+04 -0.18594E-02 -0.69555E-03 2680 0.906E-02 0.136E-01 DAV: 15 -0.337724721967E+04 -0.16649E-02 -0.19858E-03 2768 0.536E-02 0.917E-02 DAV: 16 -0.337724882187E+04 -0.16022E-02 -0.77171E-04 2704 0.362E-02 0.458E-02 DAV: 17 -0.337725015848E+04 -0.13366E-02 -0.34907E-04 2728 0.249E-02 0.354E-02 DAV: 18 -0.337725120572E+04 -0.10472E-02 -0.22068E-04 2728 0.186E-02 0.234E-02 DAV: 19 -0.337725203278E+04 -0.82706E-03 -0.14448E-04 2712 0.152E-02 0.158E-02 DAV: 20 -0.337725259607E+04 -0.56329E-03 -0.10115E-04 2672 0.113E-02 0.151E-02 DAV: 21 -0.337725278310E+04 -0.18703E-03 -0.36336E-05 2240 0.686E-03 0.821E-03 DAV: 22 -0.337725290472E+04 -0.12162E-03 -0.16107E-05 1936 0.453E-03 0.469E-03 DAV: 23 -0.337725297504E+04 -0.70312E-04 -0.85254E-06 1904 0.262E-03 0.387E-03 DAV: 24 -0.337725300583E+04 -0.30796E-04 -0.35607E-06 1808 0.192E-03 0.194E-03 DAV: 25 -0.337725302058E+04 -0.14744E-04 -0.21627E-06 1784 0.136E-03 0.116E-03 DAV: 26 -0.337725302640E+04 -0.58212E-05 -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 -0.241933609654E+04 0.95792E+03 -0.67066E+04 2416 0.281E+02 0.163E+02 DAV: 2 -0.319470554932E+04 -0.77537E+03 -0.76751E+03 2880 0.865E+01 0.925E+01 DAV: 3 -0.313748505841E+04 0.57220E+02 -0.64860E+02 2816 0.282E+01 0.681E+01 DAV: 4 -0.311167529903E+04 0.25810E+02 -0.22788E+02 2776 0.207E+01 0.404E+01 DAV: 5 -0.310911874972E+04 0.25565E+01 -0.10053E+02 2800 0.108E+01 0.283E+01 DAV: 6 -0.310642757395E+04 0.26912E+01 -0.60028E+01 3024 0.552E+00 0.198E+01 DAV: 7 -0.310548314038E+04 0.94443E+00 -0.29468E+01 3200 0.485E+00 0.143E+01 DAV: 8 -0.310516115542E+04 0.32198E+00 -0.19629E+01 2808 0.342E+00 0.158E+01 DAV: 9 -0.310398895991E+04 0.11722E+01 -0.10826E+01 3000 0.271E+00 0.522E+00 DAV: 10 -0.310377174076E+04 0.21722E+00 -0.16271E+00 2768 0.148E+00 0.352E+00 DAV: 11 -0.310367163349E+04 0.10011E+00 -0.77229E-01 2736 0.883E-01 0.277E+00 DAV: 12 -0.310360187645E+04 0.69757E-01 -0.52248E-01 2856 0.588E-01 0.245E+00 DAV: 13 -0.310351572562E+04 0.86151E-01 -0.14699E-01 2784 0.490E-01 0.125E+00 DAV: 14 -0.310352076881E+04 -0.50432E-02 -0.11804E-01 2760 0.372E-01 0.274E+00 DAV: 15 -0.310350276008E+04 0.18009E-01 -0.24185E-01 2728 0.266E-01 0.119E+00 DAV: 16 -0.310350508096E+04 -0.23209E-02 -0.18549E-02 2664 0.247E-01 0.131E+00 DAV: 17 -0.310349562764E+04 0.94533E-02 -0.22255E-02 2848 0.152E-01 0.799E-01 DAV: 18 -0.310349601643E+04 -0.38879E-03 -0.87030E-03 2744 0.116E-01 0.456E-01 DAV: 19 -0.310349969337E+04 -0.36769E-02 -0.27680E-03 2616 0.746E-02 0.686E-01 DAV: 20 -0.310349840833E+04 0.12850E-02 -0.18308E-03 2928 0.758E-02 0.225E-01 DAV: 21 -0.310349998966E+04 -0.15813E-02 -0.83257E-04 2672 0.373E-02 0.168E-01 DAV: 22 -0.310350033370E+04 -0.34404E-03 -0.22698E-04 2736 0.240E-02 0.420E-02 DAV: 23 -0.310350072044E+04 -0.38675E-03 -0.17496E-04 2672 0.154E-02 0.180E-02 DAV: 24 -0.310350091034E+04 -0.18990E-03 -0.31958E-05 2136 0.808E-03 0.390E-02 DAV: 25 -0.310350105248E+04 -0.14214E-03 -0.22401E-05 2072 0.625E-03 0.849E-03 DAV: 26 -0.310350112281E+04 -0.70336E-04 -0.12211E-05 1888 0.416E-03 0.145E-02 DAV: 27 -0.310350115532E+04 -0.32503E-04 -0.43788E-06 1768 0.252E-03 0.367E-03 DAV: 28 -0.310350117088E+04 -0.15561E-04 -0.26451E-06 1768 0.180E-03 0.413E-03 DAV: 29 -0.310350117712E+04 -0.62399E-05 -0.10155E-06 1760 0.104E-03 4 F= -.31035012E+04 E0= -.31034739E+04 d E =0.273752E+03 N E dE d eps ncg rms rms(c) DAV: 1 -0.308916177377E+04 0.14339E+02 -0.40586E+04 2368 0.211E+02 0.134E+02 DAV: 2 -0.345446030036E+04 -0.36530E+03 -0.44113E+03 2856 0.613E+01 0.741E+01 DAV: 3 -0.341777616192E+04 0.36684E+02 -0.24058E+02 2792 0.192E+01 0.510E+01 DAV: 4 -0.341074042906E+04 0.70357E+01 -0.15332E+02 2672 0.163E+01 0.266E+01 DAV: 5 -0.340955697461E+04 0.11835E+01 -0.21075E+01 2784 0.486E+00 0.193E+01 DAV: 6 -0.340976550906E+04 -0.20853E+00 -0.85575E+00 2816 0.336E+00 0.113E+01 DAV: 7 -0.340950974476E+04 0.25576E+00 -0.12313E+01 3120 0.287E+00 0.660E+00 DAV: 8 -0.340918158099E+04 0.32816E+00 -0.50678E+00 2904 0.143E+00 0.301E+00 DAV: 9 -0.340907799909E+04 0.10358E+00 -0.39314E-01 2728 0.689E-01 0.153E+00 DAV: 10 -0.340906315962E+04 0.14839E-01 -0.32501E-01 2760 0.593E-01 0.778E-01 DAV: 11 -0.340906273430E+04 0.42532E-03 -0.56545E-02 2704 0.227E-01 0.294E-01 DAV: 12 -0.340906355769E+04 -0.82339E-03 -0.75859E-03 2688 0.119E-01 0.201E-01 DAV: 13 -0.340906451753E+04 -0.95984E-03 -0.53235E-03 2688 0.884E-02 0.827E-02 DAV: 14 -0.340906525689E+04 -0.73937E-03 -0.88258E-04 2744 0.417E-02 0.568E-02 DAV: 15 -0.340906605505E+04 -0.79816E-03 -0.50292E-04 2680 0.404E-02 0.303E-02 DAV: 16 -0.340906652383E+04 -0.46878E-03 -0.20797E-04 2792 0.228E-02 0.263E-02 DAV: 17 -0.340906690756E+04 -0.38374E-03 -0.11838E-04 2664 0.206E-02 0.116E-02 DAV: 18 -0.340906712774E+04 -0.22018E-03 -0.65552E-05 2704 0.125E-02 0.113E-02 DAV: 19 -0.340906723054E+04 -0.10280E-03 -0.20252E-05 1944 0.728E-03 0.565E-03 DAV: 20 -0.340906728918E+04 -0.58645E-04 -0.12490E-05 1856 0.446E-03 0.400E-03 DAV: 21 -0.340906731782E+04 -0.28640E-04 -0.45042E-06 1832 0.268E-03 0.216E-03 DAV: 22 -0.340906733178E+04 -0.13960E-04 -0.35215E-06 1792 0.227E-03 0.208E-03 DAV: 23 -0.340906733698E+04 -0.52008E-05 -0.11242E-06 1752 0.150E-03 5 F= -.34090673E+04 E0= -.34090698E+04 d E =-.318143E+02 N E dE d eps ncg rms rms(c) DAV: 1 -0.306184948791E+04 0.34722E+03 -0.36148E+04 2344 0.201E+02 0.119E+02 DAV: 2 -0.335453772570E+04 -0.29269E+03 -0.31379E+03 2856 0.531E+01 0.668E+01 DAV: 3 -0.333528239034E+04 0.19255E+02 -0.29820E+02 2976 0.202E+01 0.493E+01 DAV: 4 -0.331988981817E+04 0.15393E+02 -0.15783E+02 3056 0.117E+01 0.350E+01 DAV: 5 -0.331800716459E+04 0.18827E+01 -0.37164E+01 2952 0.679E+00 0.305E+01 DAV: 6 -0.331798577234E+04 0.21392E-01 -0.23685E+01 3112 0.411E+00 0.283E+01 DAV: 7 -0.331518634687E+04 0.27994E+01 -0.39741E+01 3104 0.355E+00 0.178E+01 DAV: 8 -0.331440733456E+04 0.77901E+00 -0.17640E+01 3008 0.249E+00 0.122E+01 DAV: 9 -0.331378117843E+04 0.62616E+00 -0.41785E+00 3080 0.200E+00 0.608E+00 DAV: 10 -0.331380737956E+04 -0.26201E-01 -0.23984E+00 3072 0.157E+00 0.602E+00 DAV: 11 -0.331355998812E+04 0.24739E+00 -0.14089E+00 3144 0.946E-01 0.218E+00 DAV: 12 -0.331354946286E+04 0.10525E-01 -0.22041E-01 2976 0.566E-01 0.157E+00 DAV: 13 -0.331353398034E+04 0.15483E-01 -0.57463E-02 2744 0.310E-01 0.853E-01 DAV: 14 -0.331354364373E+04 -0.96634E-02 -0.10006E-01 2928 0.283E-01 0.165E+00 DAV: 15 -0.331353767458E+04 0.59692E-02 -0.26150E-01 2888 0.164E-01 0.655E-01 DAV: 16 -0.331353717604E+04 0.49854E-03 -0.98102E-03 2896 0.122E-01 0.242E-01 DAV: 17 -0.331353954429E+04 -0.23682E-02 -0.27948E-03 2800 0.722E-02 0.173E-01 DAV: 18 -0.331354123598E+04 -0.16917E-02 -0.13053E-03 2784 0.482E-02 0.987E-02 DAV: 19 -0.331354300126E+04 -0.17653E-02 -0.89123E-04 2792 0.365E-02 0.964E-02 DAV: 20 -0.331354383357E+04 -0.83231E-03 -0.70208E-04 2816 0.226E-02 0.755E-02 DAV: 21 -0.331354485460E+04 -0.10210E-02 -0.20137E-04 2584 0.182E-02 0.361E-02 DAV: 22 -0.331354565556E+04 -0.80096E-03 -0.16165E-04 2616 0.155E-02 0.247E-02 DAV: 23 -0.331354608687E+04 -0.43131E-03 -0.72230E-05 2472 0.114E-02 0.230E-02 DAV: 24 -0.331354632289E+04 -0.23602E-03 -0.32774E-05 2168 0.790E-03 0.148E-02 DAV: 25 -0.331354647393E+04 -0.15104E-03 -0.19031E-05 2016 0.588E-03 0.737E-03 DAV: 26 -0.331354655391E+04 -0.79981E-04 -0.11683E-05 1928 0.433E-03 0.601E-03 DAV: 27 -0.331354659483E+04 -0.40921E-04 -0.61815E-06 1840 0.329E-03 0.467E-03 DAV: 28 -0.331354661801E+04 -0.23181E-04 -0.44432E-06 1832 0.308E-03 0.438E-03 DAV: 29 -0.331354662745E+04 -0.94417E-05 -0.32823E-06 1776 0.270E-03 6 F= -.33135466E+04 E0= -.33136102E+04 d E =0.955207E+02 N E dE d eps ncg rms rms(c) DAV: 1 -0.333468834861E+04 -0.21142E+02 -0.18985E+04 2376 0.147E+02 0.780E+01 DAV: 2 -0.344469266491E+04 -0.11000E+03 -0.12761E+03 2736 0.335E+01 0.389E+01 DAV: 3 -0.343765897797E+04 0.70337E+01 -0.37785E+01 2720 0.815E+00 0.277E+01 DAV: 4 -0.343619248884E+04 0.14665E+01 -0.25761E+01 2688 0.664E+00 0.162E+01 DAV: 5 -0.343537505886E+04 0.81743E+00 -0.37219E+00 2904 0.252E+00 0.115E+01 DAV: 6 -0.343518062465E+04 0.19443E+00 -0.12218E+00 2824 0.159E+00 0.741E+00 DAV: 7 -0.343502349312E+04 0.15713E+00 -0.23805E+00 2712 0.122E+00 0.166E+00 DAV: 8 -0.343502351209E+04 -0.18965E-04 -0.23779E-01 2704 0.566E-01 0.876E-01 DAV: 9 -0.343501860711E+04 0.49050E-02 -0.41346E-02 2704 0.279E-01 0.467E-01 DAV: 10 -0.343501856118E+04 0.45937E-04 -0.16671E-02 2672 0.169E-01 0.218E-01 DAV: 11 -0.343501906838E+04 -0.50720E-03 -0.37416E-03 2792 0.885E-02 0.128E-01 DAV: 12 -0.343501951861E+04 -0.45023E-03 -0.17839E-03 2704 0.639E-02 0.767E-02 DAV: 13 -0.343502015228E+04 -0.63368E-03 -0.64824E-04 2696 0.400E-02 0.482E-02 DAV: 14 -0.343502074128E+04 -0.58900E-03 -0.24703E-04 2696 0.295E-02 0.334E-02 DAV: 15 -0.343502140034E+04 -0.65905E-03 -0.23786E-04 2688 0.278E-02 0.259E-02 DAV: 16 -0.343502178248E+04 -0.38214E-03 -0.11805E-04 2768 0.182E-02 0.182E-02 DAV: 17 -0.343502198113E+04 -0.19865E-03 -0.85376E-05 2696 0.133E-02 0.107E-02 DAV: 18 -0.343502207976E+04 -0.98625E-04 -0.11618E-05 1872 0.534E-03 0.702E-03 DAV: 19 -0.343502213820E+04 -0.58444E-04 -0.12212E-05 1864 0.426E-03 0.384E-03 DAV: 20 -0.343502215978E+04 -0.21582E-04 -0.31099E-06 1768 0.239E-03 0.237E-03 DAV: 21 -0.343502217533E+04 -0.15548E-04 -0.24529E-06 1776 0.209E-03 0.159E-03 DAV: 22 -0.343502217928E+04 -0.39463E-05 -0.88185E-07 1736 0.102E-03 7 F= -.34350222E+04 E0= -.34350366E+04 d E =-.259548E+02 N E dE d eps ncg rms rms(c) DAV: 1 -0.340385375942E+04 0.31168E+02 -0.11332E+04 2344 0.115E+02 0.488E+01 DAV: 2 -0.345314699301E+04 -0.49293E+02 -0.58206E+02 2768 0.218E+01 0.227E+01 DAV: 3 -0.344947697030E+04 0.36700E+01 -0.17578E+01 2792 0.515E+00 0.157E+01 DAV: 4 -0.344874976642E+04 0.72720E+00 -0.96426E+00 2768 0.379E+00 0.913E+00 DAV: 5 -0.344839685105E+04 0.35292E+00 -0.62932E+00 2872 0.206E+00 0.461E+00 DAV: 6 -0.344830872531E+04 0.88126E-01 -0.69129E-01 2664 0.115E+00 0.218E+00 DAV: 7 -0.344829005827E+04 0.18667E-01 -0.30995E-01 2824 0.811E-01 0.929E-01 DAV: 8 -0.344828994376E+04 0.11452E-03 -0.16682E-01 2736 0.396E-01 0.556E-01 DAV: 9 -0.344828634824E+04 0.35955E-02 -0.43589E-02 2736 0.225E-01 0.288E-01 DAV: 10 -0.344828554888E+04 0.79937E-03 -0.73726E-03 2696 0.111E-01 0.159E-01 DAV: 11 -0.344828532268E+04 0.22620E-03 -0.19648E-03 2744 0.760E-02 0.810E-02 DAV: 12 -0.344828541510E+04 -0.92422E-04 -0.94587E-04 2800 0.445E-02 0.520E-02 DAV: 13 -0.344828555886E+04 -0.14375E-03 -0.23602E-04 2728 0.260E-02 0.309E-02 DAV: 14 -0.344828574870E+04 -0.18984E-03 -0.12186E-04 2728 0.241E-02 0.182E-02 DAV: 15 -0.344828590904E+04 -0.16034E-03 -0.81703E-05 2728 0.184E-02 0.150E-02 DAV: 16 -0.344828603833E+04 -0.12930E-03 -0.43463E-05 2384 0.153E-02 0.695E-03 DAV: 17 -0.344828610438E+04 -0.66042E-04 -0.33337E-05 2376 0.871E-03 0.745E-03 DAV: 18 -0.344828612905E+04 -0.24676E-04 -0.70902E-06 1768 0.374E-03 0.426E-03 DAV: 19 -0.344828615753E+04 -0.28479E-04 -0.48890E-06 1760 0.329E-03 0.213E-03 DAV: 20 -0.344828616568E+04 -0.81473E-05 -0.24037E-06 1720 0.186E-03 8 F= -.34482862E+04 E0= -.34483024E+04 d E =-.132640E+02 N E dE d eps ncg rms rms(c) DAV: 1 -0.345415961687E+04 -0.58735E+01 -0.17203E+03 2352 0.453E+01 0.109E+01 DAV: 2 -0.345859353436E+04 -0.44339E+01 -0.57795E+01 2768 0.738E+00 0.677E+00 DAV: 3 -0.345821772174E+04 0.37581E+00 -0.19237E+00 2768 0.162E+00 0.484E+00 DAV: 4 -0.345808648272E+04 0.13124E+00 -0.71741E-01 2720 0.115E+00 0.222E+00 DAV: 5 -0.345807138695E+04 0.15096E-01 -0.21456E-01 2856 0.639E-01 0.881E-01 DAV: 6 -0.345807459175E+04 -0.32048E-02 -0.15459E-01 2776 0.380E-01 0.539E-01 DAV: 7 -0.345807004514E+04 0.45466E-02 -0.27492E-02 2744 0.200E-01 0.256E-01 DAV: 8 -0.345807001163E+04 0.33515E-04 -0.79816E-03 2728 0.101E-01 0.182E-01 DAV: 9 -0.345806973825E+04 0.27338E-03 -0.27608E-03 2736 0.581E-02 0.818E-02 DAV: 10 -0.345806976274E+04 -0.24495E-04 -0.65696E-04 2688 0.327E-02 0.388E-02 DAV: 11 -0.345806981333E+04 -0.50587E-04 -0.12478E-04 2736 0.181E-02 0.210E-02 DAV: 12 -0.345806986660E+04 -0.53274E-04 -0.42672E-05 2552 0.120E-02 0.118E-02 DAV: 13 -0.345806991927E+04 -0.52670E-04 -0.15653E-05 1888 0.948E-03 0.682E-03 DAV: 14 -0.345806996732E+04 -0.48051E-04 -0.17984E-05 1984 0.946E-03 0.460E-03 DAV: 15 -0.345806999679E+04 -0.29463E-04 -0.16116E-05 1872 0.634E-03 0.435E-03 DAV: 16 -0.345807000541E+04 -0.86172E-05 -0.48589E-06 1736 0.281E-03 9 F= -.34580700E+04 E0= -.34580856E+04 d E =-.230478E+02 N E dE d eps ncg rms rms(c) DAV: 1 -0.344683851371E+04 0.11231E+02 -0.55423E+03 2344 0.807E+01 0.224E+01 DAV: 2 -0.346436051043E+04 -0.17522E+02 -0.21404E+02 2768 0.137E+01 0.128E+01 DAV: 3 -0.346285065959E+04 0.15099E+01 -0.76574E+00 2776 0.310E+00 0.835E+00 DAV: 4 -0.346266279474E+04 0.18786E+00 -0.63888E+00 2808 0.224E+00 0.630E+00 DAV: 5 -0.346228991273E+04 0.37288E+00 -0.49967E+00 2872 0.139E+00 0.251E+00 DAV: 6 -0.346225049391E+04 0.39419E-01 -0.38236E-01 2648 0.754E-01 0.107E+00 DAV: 7 -0.346224777607E+04 0.27178E-02 -0.15817E-01 2792 0.512E-01 0.502E-01 DAV: 8 -0.346224660619E+04 0.11699E-02 -0.23164E-02 2824 0.201E-01 0.240E-01 DAV: 9 -0.346224668718E+04 -0.80983E-04 -0.74743E-03 2664 0.117E-01 0.114E-01 DAV: 10 -0.346224682432E+04 -0.13715E-03 -0.10087E-03 2760 0.585E-02 0.606E-02 DAV: 11 -0.346224704631E+04 -0.22199E-03 -0.63795E-04 2720 0.396E-02 0.358E-02 DAV: 12 -0.346224721843E+04 -0.17212E-03 -0.13182E-04 2720 0.194E-02 0.273E-02 DAV: 13 -0.346224740997E+04 -0.19154E-03 -0.80938E-05 2552 0.185E-02 0.149E-02 DAV: 14 -0.346224757637E+04 -0.16640E-03 -0.70351E-05 2608 0.158E-02 0.123E-02 DAV: 15 -0.346224768359E+04 -0.10722E-03 -0.38329E-05 2440 0.113E-02 0.759E-03 DAV: 16 -0.346224772874E+04 -0.45146E-04 -0.18536E-05 1936 0.593E-03 0.439E-03 DAV: 17 -0.346224775124E+04 -0.22506E-04 -0.39415E-06 1800 0.269E-03 0.265E-03 DAV: 18 -0.346224777187E+04 -0.20627E-04 -0.31453E-06 1768 0.234E-03 0.178E-03 DAV: 19 -0.346224777790E+04 -0.60352E-05 -0.14067E-06 1736 0.139E-03 10 F= -.34622478E+04 E0= -.34622617E+04 d E =-.417777E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.346752719656E+04 -0.52794E+01 -0.10225E+03 2344 0.348E+01 0.818E+00 DAV: 2 -0.347001408845E+04 -0.24869E+01 -0.33537E+01 2760 0.561E+00 0.519E+00 DAV: 3 -0.346975853135E+04 0.25556E+00 -0.11895E+00 2776 0.126E+00 0.336E+00 DAV: 4 -0.346968084852E+04 0.77683E-01 -0.47018E-01 2704 0.969E-01 0.135E+00 DAV: 5 -0.346967842687E+04 0.24217E-02 -0.11558E-01 2896 0.451E-01 0.617E-01 DAV: 6 -0.346967853118E+04 -0.10431E-03 -0.62932E-02 2776 0.278E-01 0.433E-01 DAV: 7 -0.346967701667E+04 0.15145E-02 -0.30334E-02 2816 0.127E-01 0.221E-01 DAV: 8 -0.346967657292E+04 0.44375E-03 -0.27936E-03 2688 0.655E-02 0.106E-01 DAV: 9 -0.346967669802E+04 -0.12511E-03 -0.17407E-03 2688 0.636E-02 0.549E-02 DAV: 10 -0.346967676925E+04 -0.71223E-04 -0.32320E-04 2904 0.283E-02 0.326E-02 DAV: 11 -0.346967685986E+04 -0.90613E-04 -0.15755E-04 2664 0.188E-02 0.141E-02 DAV: 12 -0.346967694489E+04 -0.85034E-04 -0.30506E-05 2152 0.116E-02 0.116E-02 DAV: 13 -0.346967701085E+04 -0.65958E-04 -0.22777E-05 2032 0.944E-03 0.683E-03 DAV: 14 -0.346967706588E+04 -0.55028E-04 -0.14726E-05 1864 0.777E-03 0.431E-03 DAV: 15 -0.346967709703E+04 -0.31146E-04 -0.99312E-06 1824 0.484E-03 0.320E-03 DAV: 16 -0.346967710732E+04 -0.10299E-04 -0.36021E-06 1744 0.244E-03 0.190E-03 DAV: 17 -0.346967711517E+04 -0.78441E-05 -0.15372E-06 1728 0.132E-03 11 F= -.34696771E+04 E0= -.34696974E+04 d E =-.116071E+02 N E dE d eps ncg rms rms(c) DAV: 1 -0.346408744994E+04 0.55897E+01 -0.37132E+03 2336 0.664E+01 0.183E+01 DAV: 2 -0.347582137131E+04 -0.11734E+02 -0.14386E+02 2768 0.113E+01 0.107E+01 DAV: 3 -0.347506573235E+04 0.75564E+00 -0.52681E+00 2776 0.239E+00 0.755E+00 DAV: 4 -0.347500255658E+04 0.63176E-01 -0.47513E+00 2840 0.174E+00 0.611E+00 DAV: 5 -0.347465428289E+04 0.34827E+00 -0.35567E+00 2848 0.136E+00 0.197E+00 DAV: 6 -0.347463768123E+04 0.16602E-01 -0.29024E-01 2592 0.679E-01 0.104E+00 DAV: 7 -0.347463275270E+04 0.49285E-02 -0.15333E-01 2760 0.542E-01 0.460E-01 DAV: 8 -0.347463281968E+04 -0.66974E-04 -0.21956E-02 2720 0.184E-01 0.228E-01 DAV: 9 -0.347463314242E+04 -0.32274E-03 -0.72995E-03 2656 0.116E-01 0.117E-01 DAV: 10 -0.347463335738E+04 -0.21496E-03 -0.13284E-03 2720 0.529E-02 0.746E-02 DAV: 11 -0.347463355435E+04 -0.19697E-03 -0.62003E-04 2680 0.423E-02 0.309E-02 DAV: 12 -0.347463380339E+04 -0.24904E-03 -0.24280E-04 2728 0.265E-02 0.287E-02 DAV: 13 -0.347463400330E+04 -0.19991E-03 -0.62074E-05 2544 0.204E-02 0.166E-02 DAV: 14 -0.347463416421E+04 -0.16090E-03 -0.96377E-05 2592 0.207E-02 0.114E-02 DAV: 15 -0.347463422914E+04 -0.64935E-04 -0.61067E-05 2672 0.105E-02 0.113E-02 DAV: 16 -0.347463424643E+04 -0.17288E-04 -0.69074E-06 1776 0.346E-03 0.722E-03 DAV: 17 -0.347463427663E+04 -0.30196E-04 -0.68477E-06 1792 0.434E-03 0.210E-03 DAV: 18 -0.347463429047E+04 -0.13842E-04 -0.40618E-06 1752 0.251E-03 0.267E-03 DAV: 19 -0.347463429659E+04 -0.61249E-05 -0.10910E-06 1728 0.151E-03 12 F= -.34746343E+04 E0= -.34746542E+04 d E =-.495718E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.347617379650E+04 -0.15395E+01 -0.54600E+02 2336 0.255E+01 0.552E+00 DAV: 2 -0.347751729365E+04 -0.13435E+01 -0.17025E+01 2784 0.405E+00 0.351E+00 DAV: 3 -0.347742495340E+04 0.92340E-01 -0.62544E-01 2800 0.858E-01 0.230E+00 DAV: 4 -0.347741378670E+04 0.11167E-01 -0.55225E-01 2808 0.680E-01 0.164E+00 DAV: 5 -0.347738550232E+04 0.28284E-01 -0.31827E-01 2840 0.430E-01 0.635E-01 DAV: 6 -0.347738333929E+04 0.21630E-02 -0.34619E-02 2704 0.224E-01 0.369E-01 DAV: 7 -0.347738253447E+04 0.80482E-03 -0.18344E-02 2744 0.191E-01 0.170E-01 DAV: 8 -0.347738249839E+04 0.36076E-04 -0.28246E-03 2712 0.622E-02 0.113E-01 DAV: 9 -0.347738240028E+04 0.98118E-04 -0.87892E-04 2664 0.489E-02 0.462E-02 DAV: 10 -0.347738245491E+04 -0.54632E-04 -0.41582E-04 2680 0.260E-02 0.314E-02 DAV: 11 -0.347738247476E+04 -0.19847E-04 -0.66189E-05 2736 0.164E-02 0.142E-02 DAV: 12 -0.347738250949E+04 -0.34731E-04 -0.64629E-05 2448 0.122E-02 0.118E-02 DAV: 13 -0.347738253503E+04 -0.25545E-04 -0.79141E-06 1808 0.788E-03 0.691E-03 DAV: 14 -0.347738255541E+04 -0.20380E-04 -0.16802E-05 1904 0.783E-03 0.409E-03 DAV: 15 -0.347738256421E+04 -0.87951E-05 -0.81528E-06 1736 0.418E-03 13 F= -.34773826E+04 E0= -.34774014E+04 d E =-.770545E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.348003446989E+04 -0.26519E+01 -0.22773E+03 2336 0.515E+01 0.130E+01 DAV: 2 -0.348639109265E+04 -0.63566E+01 -0.79320E+01 2760 0.847E+00 0.839E+00 DAV: 3 -0.348610964446E+04 0.28145E+00 -0.93494E+00 2840 0.211E+00 0.588E+00 DAV: 4 -0.348575106346E+04 0.35858E+00 -0.18124E+00 2832 0.123E+00 0.392E+00 DAV: 5 -0.348568741909E+04 0.63644E-01 -0.64242E-01 2624 0.104E+00 0.133E+00 DAV: 6 -0.348568266028E+04 0.47588E-02 -0.17304E-01 2768 0.488E-01 0.649E-01 DAV: 7 -0.348568264001E+04 0.20263E-04 -0.85473E-02 2752 0.408E-01 0.398E-01 DAV: 8 -0.348568155728E+04 0.10827E-02 -0.28449E-02 3000 0.174E-01 0.234E-01 DAV: 9 -0.348568093928E+04 0.61799E-03 -0.11892E-02 2768 0.119E-01 0.146E-01 DAV: 10 -0.348568058761E+04 0.35167E-03 -0.36373E-03 2832 0.763E-02 0.848E-02 DAV: 11 -0.348568045771E+04 0.12990E-03 -0.13160E-03 2712 0.609E-02 0.348E-02 DAV: 12 -0.348568046943E+04 -0.11713E-04 -0.41463E-04 2704 0.294E-02 0.312E-02 DAV: 13 -0.348568046145E+04 0.79717E-05 -0.54877E-05 2336 0.262E-02 14 F= -.34856805E+04 E0= -.34856971E+04 d E =-.829790E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.348568065327E+04 -0.18384E-03 -0.10974E-01 2400 0.358E-01 0.761E-02 DAV: 2 -0.348568092532E+04 -0.27205E-03 -0.34876E-03 2760 0.581E-02 0.589E-02 DAV: 3 -0.348568091728E+04 0.80329E-05 -0.52175E-04 2856 0.149E-02 0.493E-02 DAV: 4 -0.348568089834E+04 0.18945E-04 -0.24136E-04 2384 0.912E-03 0.288E-02 DAV: 5 -0.348568090020E+04 -0.18628E-05 -0.54508E-05 2488 0.912E-03 15 F= -.34856809E+04 E0= -.34856976E+04 d E =-.829834E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.348803761898E+04 -0.23567E+01 -0.18751E+03 2336 0.468E+01 0.110E+01 DAV: 2 -0.349331817497E+04 -0.52806E+01 -0.67861E+01 2744 0.766E+00 0.865E+00 DAV: 3 -0.349316941923E+04 0.14876E+00 -0.14352E+01 2824 0.220E+00 0.590E+00 DAV: 4 -0.349260552770E+04 0.56389E+00 -0.81642E-01 2792 0.122E+00 0.363E+00 DAV: 5 -0.349298043862E+04 -0.37491E+00 -0.57808E+00 2840 0.162E+00 0.537E+00 DAV: 6 -0.349258602045E+04 0.39442E+00 -0.15902E+00 2736 0.896E-01 0.273E+00 DAV: 7 -0.349256757450E+04 0.18446E-01 -0.13676E+00 2784 0.578E-01 0.175E+00 DAV: 8 -0.349254237876E+04 0.25196E-01 -0.35672E-01 2648 0.376E-01 0.455E-01 DAV: 9 -0.349254872426E+04 -0.63455E-02 -0.58516E-02 2712 0.194E-01 0.733E-01 DAV: 10 -0.349254377594E+04 0.49483E-02 -0.44184E-02 2832 0.140E-01 0.321E-01 DAV: 11 -0.349254340777E+04 0.36816E-03 -0.75351E-03 2576 0.689E-02 0.907E-02 DAV: 12 -0.349254343861E+04 -0.30833E-04 -0.99489E-04 2728 0.300E-02 0.357E-02 DAV: 13 -0.349254349566E+04 -0.57049E-04 -0.16925E-04 2680 0.172E-02 0.326E-02 DAV: 14 -0.349254355376E+04 -0.58104E-04 -0.12067E-04 2648 0.142E-02 0.164E-02 DAV: 15 -0.349254358310E+04 -0.29336E-04 -0.34685E-05 1912 0.874E-03 0.153E-02 DAV: 16 -0.349254360784E+04 -0.24746E-04 -0.33344E-05 2296 0.725E-03 0.835E-03 DAV: 17 -0.349254362166E+04 -0.13816E-04 -0.10927E-05 1776 0.520E-03 0.645E-03 DAV: 18 -0.349254363397E+04 -0.12312E-04 -0.65169E-06 1792 0.375E-03 0.574E-03 DAV: 19 -0.349254363913E+04 -0.51634E-05 -0.26824E-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 -0.52921E-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 -0.349254478762E+04 0.83988E-04 -0.60335E-04 2720 0.161E-02 0.570E-02 DAV: 5 -0.349254480385E+04 -0.16233E-04 -0.23341E-04 2824 0.166E-02 0.560E-02 DAV: 6 -0.349254476878E+04 0.35072E-04 -0.13726E-04 2624 0.132E-02 0.120E-02 DAV: 7 -0.349254477023E+04 -0.14514E-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 -0.349334720848E+04 -0.80244E+00 -0.19644E+03 2336 0.478E+01 0.112E+01 DAV: 2 -0.349886843436E+04 -0.55212E+01 -0.66779E+01 2752 0.780E+00 0.703E+00 DAV: 3 -0.349870035575E+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 -0.349827443241E+04 0.17006E-03 -0.32132E-03 2616 0.998E-02 0.136E-01 DAV: 11 -0.349827443736E+04 -0.49472E-05 -0.14462E-03 2688 0.450E-02 0.681E-02 DAV: 12 -0.349827444369E+04 -0.63307E-05 -0.28676E-04 2720 0.290E-02 0.451E-02 DAV: 13 -0.349827447809E+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 -0.41838E-04 -0.25231E-05 2208 0.887E-03 0.104E-02 DAV: 16 -0.349827459309E+04 -0.26203E-04 -0.90777E-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 -0.349827461624E+04 -0.72949E-05 -0.37046E-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 -0.349827463563E+04 -0.26692E-04 -0.18636E-02 2416 0.147E-01 0.306E-02 DAV: 2 -0.349827468498E+04 -0.49351E-04 -0.51636E-04 2752 0.226E-02 0.289E-02 DAV: 3 -0.349827468415E+04 0.82870E-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 -0.349911910581E+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 -0.350321215315E+04 0.10523E+01 -0.18464E+00 2848 0.178E+00 0.424E+00 DAV: 4 -0.350317897731E+04 0.33176E-01 -0.76766E-01 2640 0.975E-01 0.354E+00 DAV: 5 -0.350338288934E+04 -0.20391E+00 -0.50551E+00 3056 0.109E+00 0.512E+00 DAV: 6 -0.350310588836E+04 0.27700E+00 -0.13893E+00 2880 0.685E-01 0.914E-01 DAV: 7 -0.350311817142E+04 -0.12283E-01 -0.63840E-02 2792 0.351E-01 0.109E+00 DAV: 8 -0.350311209969E+04 0.60717E-02 -0.46642E-02 2952 0.293E-01 0.788E-01 DAV: 9 -0.350310753768E+04 0.45620E-02 -0.89006E-03 2568 0.125E-01 0.263E-01 DAV: 10 -0.350310734623E+04 0.19145E-03 -0.19544E-03 2712 0.618E-02 0.183E-01 DAV: 11 -0.350310726231E+04 0.83918E-04 -0.98013E-04 2840 0.446E-02 0.107E-01 DAV: 12 -0.350310723914E+04 0.23172E-04 -0.28300E-04 2648 0.277E-02 0.342E-02 DAV: 13 -0.350310725931E+04 -0.20171E-04 -0.12369E-04 2672 0.132E-02 0.251E-02 DAV: 14 -0.350310727614E+04 -0.16826E-04 -0.19539E-05 1896 0.628E-03 0.142E-02 DAV: 15 -0.350310729978E+04 -0.23640E-04 -0.15879E-05 1848 0.624E-03 0.677E-03 DAV: 16 -0.350310731062E+04 -0.10841E-04 -0.65492E-06 1744 0.370E-03 0.546E-03 DAV: 17 -0.350310731806E+04 -0.74404E-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 -0.350311401417E+04 -0.67036E-02 -0.30177E+01 2344 0.592E+00 0.126E+00 DAV: 2 -0.350321556199E+04 -0.10155E+00 -0.86103E-01 2752 0.914E-01 0.194E+00 DAV: 3 -0.350318579493E+04 0.29767E-01 -0.61022E-02 2840 0.289E-01 0.107E+00 DAV: 4 -0.350317931367E+04 0.64813E-02 -0.14874E-02 2664 0.161E-01 0.503E-01 DAV: 5 -0.350318101362E+04 -0.17000E-02 -0.79916E-03 2880 0.158E-01 0.452E-01 DAV: 6 -0.350317833639E+04 0.26772E-02 -0.58174E-03 2704 0.121E-01 0.112E-01 DAV: 7 -0.350317841694E+04 -0.80552E-04 -0.19428E-03 2728 0.486E-02 0.662E-02 DAV: 8 -0.350317838977E+04 0.27172E-04 -0.45912E-04 2704 0.295E-02 0.331E-02 DAV: 9 -0.350317838688E+04 0.28847E-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 -0.350440403438E+04 -0.12256E+01 -0.13569E+03 2336 0.398E+01 0.824E+00 DAV: 2 -0.350803071564E+04 -0.36267E+01 -0.41717E+01 2720 0.605E+00 0.534E+00 DAV: 3 -0.350787185484E+04 0.15886E+00 -0.16249E+00 2792 0.128E+00 0.409E+00 DAV: 4 -0.350801444306E+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 -0.350776611273E+04 0.39872E-02 -0.47278E-02 2840 0.401E-01 0.661E-01 DAV: 8 -0.350776649412E+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 -0.350776296473E+04 -0.70475E-04 -0.84235E-04 2728 0.367E-02 0.487E-02 DAV: 12 -0.350776295697E+04 0.77512E-05 -0.12810E-04 2736 0.185E-02 0.303E-02 DAV: 13 -0.350776298041E+04 -0.23433E-04 -0.10128E-04 2592 0.161E-02 0.162E-02 DAV: 14 -0.350776299679E+04 -0.16383E-04 -0.28569E-05 2104 0.937E-03 0.144E-02 DAV: 15 -0.350776301101E+04 -0.14224E-04 -0.26282E-05 2216 0.921E-03 0.795E-03 DAV: 16 -0.350776302235E+04 -0.11334E-04 -0.10109E-05 1808 0.573E-03 0.601E-03 DAV: 17 -0.350776303335E+04 -0.11005E-04 -0.47376E-06 1744 0.598E-03 0.237E-03 DAV: 18 -0.350776303766E+04 -0.43095E-05 -0.68708E-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 -0.350777298266E+04 -0.99493E-02 -0.81623E+01 2336 0.976E+00 0.190E+00 DAV: 2 -0.350796036258E+04 -0.18738E+00 -0.21853E+00 2728 0.144E+00 0.130E+00 DAV: 3 -0.350796180325E+04 -0.14407E-02 -0.13702E-01 2840 0.326E-01 0.140E+00 DAV: 4 -0.350795149629E+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 -0.350794582949E+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 -0.350794620348E+04 0.34662E-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 -0.350794618979E+04 -0.36613E-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 -0.350809358588E+04 -0.14740E+00 -0.13708E+03 2336 0.400E+01 0.871E+00 DAV: 2 -0.351172572077E+04 -0.36321E+01 -0.43989E+01 2728 0.618E+00 0.668E+00 DAV: 3 -0.351168491961E+04 0.40801E-01 -0.92658E+00 2864 0.167E+00 0.497E+00 DAV: 4 -0.351132178740E+04 0.36313E+00 -0.67412E-01 2832 0.947E-01 0.291E+00 DAV: 5 -0.351144441610E+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 -0.351130464419E+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 -0.351129759185E+04 0.19834E-05 -0.10251E-03 2688 0.347E-02 0.125E-01 DAV: 13 -0.351129741966E+04 0.17219E-03 -0.61437E-04 2912 0.357E-02 0.265E-02 DAV: 14 -0.351129748342E+04 -0.63759E-04 -0.24313E-04 2656 0.171E-02 0.313E-02 DAV: 15 -0.351129751764E+04 -0.34220E-04 -0.41879E-05 2008 0.666E-03 0.188E-02 DAV: 16 -0.351129755529E+04 -0.37651E-04 -0.12467E-05 1832 0.632E-03 0.491E-03 DAV: 17 -0.351129758061E+04 -0.25318E-04 -0.11304E-05 1784 0.463E-03 0.647E-03 DAV: 18 -0.351129759814E+04 -0.17525E-04 -0.45959E-06 1792 0.353E-03 0.306E-03 DAV: 19 -0.351129760703E+04 -0.88980E-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 -0.351129770604E+04 -0.10791E-03 -0.55752E-01 2352 0.805E-01 0.164E-01 DAV: 2 -0.351129900838E+04 -0.13023E-02 -0.15607E-02 2728 0.120E-01 0.131E-01 DAV: 3 -0.351129906270E+04 -0.54324E-04 -0.33919E-03 2864 0.324E-02 0.148E-01 DAV: 4 -0.351129885735E+04 0.20535E-03 -0.15668E-03 2816 0.208E-02 0.621E-02 DAV: 5 -0.351129891401E+04 -0.56656E-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 -0.351129885228E+04 -0.26406E-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 -0.351208607714E+04 -0.78723E+00 -0.12978E+03 2336 0.387E+01 0.859E+00 DAV: 2 -0.351530803979E+04 -0.32220E+01 -0.39308E+01 2744 0.593E+00 0.585E+00 DAV: 3 -0.351527898253E+04 0.29057E-01 -0.60046E+00 2840 0.155E+00 0.438E+00 DAV: 4 -0.351501405287E+04 0.26493E+00 -0.82045E-01 2832 0.933E-01 0.256E+00 DAV: 5 -0.351506299212E+04 -0.48939E-01 -0.69127E-01 2736 0.865E-01 0.224E+00 DAV: 6 -0.351501423590E+04 0.48756E-01 -0.58837E-01 2736 0.465E-01 0.762E-01 DAV: 7 -0.351501240229E+04 0.18336E-02 -0.66190E-02 2616 0.272E-01 0.537E-01 DAV: 8 -0.351501026699E+04 0.21353E-02 -0.56376E-02 2808 0.232E-01 0.301E-01 DAV: 9 -0.351500963662E+04 0.63038E-03 -0.15015E-02 2640 0.895E-02 0.155E-01 DAV: 10 -0.351500946771E+04 0.16890E-03 -0.45442E-03 2712 0.634E-02 0.925E-02 DAV: 11 -0.351500945771E+04 0.10008E-04 -0.12669E-03 2672 0.289E-02 0.405E-02 DAV: 12 -0.351500945524E+04 0.24641E-05 -0.12230E-04 2672 0.160E-02 0.217E-02 DAV: 13 -0.351500947200E+04 -0.16758E-04 -0.10170E-04 2600 0.128E-02 0.120E-02 DAV: 14 -0.351500948428E+04 -0.12285E-04 -0.86891E-06 1792 0.552E-03 0.844E-03 DAV: 15 -0.351500949370E+04 -0.94114E-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 -0.351497542838E+04 0.34056E-01 -0.12736E+02 2336 0.121E+01 0.253E+00 DAV: 2 -0.351525678562E+04 -0.28136E+00 -0.34434E+00 2736 0.181E+00 0.169E+00 DAV: 3 -0.351525420980E+04 0.25758E-02 -0.33767E-01 2832 0.475E-01 0.141E+00 DAV: 4 -0.351523684465E+04 0.17365E-01 -0.20064E-01 2864 0.310E-01 0.942E-01 DAV: 5 -0.351524436007E+04 -0.75154E-02 -0.22025E-01 2864 0.288E-01 0.925E-01 DAV: 6 -0.351523332404E+04 0.11036E-01 -0.11640E-01 2784 0.214E-01 0.208E-01 DAV: 7 -0.351523354411E+04 -0.22006E-03 -0.44098E-03 2576 0.864E-02 0.132E-01 DAV: 8 -0.351523346182E+04 0.82289E-04 -0.29225E-03 2792 0.698E-02 0.707E-02 DAV: 9 -0.351523343215E+04 0.29664E-04 -0.49135E-04 2776 0.230E-02 0.470E-02 DAV: 10 -0.351523341027E+04 0.21878E-04 -0.16003E-04 2656 0.192E-02 0.203E-02 DAV: 11 -0.351523341178E+04 -0.15062E-05 -0.63642E-05 2576 0.111E-02 27 F= -.35152334E+04 E0= -.35152341E+04 d E =-.393456E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.351569950141E+04 -0.46609E+00 -0.12948E+03 2336 0.386E+01 0.836E+00 DAV: 2 -0.351869274560E+04 -0.29932E+01 -0.36855E+01 2728 0.583E+00 0.560E+00 DAV: 3 -0.351858053407E+04 0.11221E+00 -0.36018E+00 2824 0.142E+00 0.407E+00 DAV: 4 -0.351844705586E+04 0.13348E+00 -0.13539E+00 2880 0.981E-01 0.279E+00 DAV: 5 -0.351842263053E+04 0.24425E-01 -0.65190E-01 2688 0.818E-01 0.870E-01 DAV: 6 -0.351841968951E+04 0.29410E-02 -0.88883E-02 2600 0.357E-01 0.552E-01 DAV: 7 -0.351841749603E+04 0.21935E-02 -0.39969E-02 2784 0.271E-01 0.248E-01 DAV: 8 -0.351841738701E+04 0.10903E-03 -0.85719E-03 2768 0.986E-02 0.165E-01 DAV: 9 -0.351841710466E+04 0.28235E-03 -0.17486E-03 2752 0.666E-02 0.711E-02 DAV: 10 -0.351841718272E+04 -0.78063E-04 -0.97688E-04 2696 0.395E-02 0.535E-02 DAV: 11 -0.351841717374E+04 0.89865E-05 -0.12286E-04 2712 0.180E-02 0.327E-02 DAV: 12 -0.351841718671E+04 -0.12971E-04 -0.13442E-04 2600 0.162E-02 0.112E-02 DAV: 13 -0.351841720760E+04 -0.20898E-04 -0.23291E-05 1936 0.723E-03 0.861E-03 DAV: 14 -0.351841722731E+04 -0.19708E-04 -0.85319E-06 1760 0.611E-03 0.596E-03 DAV: 15 -0.351841724084E+04 -0.13531E-04 -0.92641E-06 1760 0.562E-03 0.335E-03 DAV: 16 -0.351841724848E+04 -0.76398E-05 -0.48264E-06 1760 0.343E-03 28 F= -.35184172E+04 E0= -.35184315E+04 d E =-.318384E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.351841953594E+04 -0.22951E-02 -0.10723E+01 2352 0.352E+00 0.718E-01 DAV: 2 -0.351844188496E+04 -0.22349E-01 -0.27905E-01 2712 0.519E-01 0.492E-01 DAV: 3 -0.351844103027E+04 0.85469E-03 -0.23374E-02 2800 0.126E-01 0.380E-01 DAV: 4 -0.351844034828E+04 0.68199E-03 -0.19185E-02 2856 0.901E-02 0.279E-01 DAV: 5 -0.351843990132E+04 0.44696E-03 -0.73904E-03 2712 0.783E-02 0.885E-02 DAV: 6 -0.351843987700E+04 0.24319E-04 -0.10190E-03 2632 0.356E-02 0.564E-02 DAV: 7 -0.351843984321E+04 0.33792E-04 -0.24359E-04 2736 0.230E-02 0.249E-02 DAV: 8 -0.351843984318E+04 0.23851E-07 -0.10235E-04 2624 0.118E-02 0.145E-02 DAV: 9 -0.351843984183E+04 0.13553E-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 -0.351903148360E+04 -0.59164E+00 -0.12374E+03 2336 0.378E+01 0.835E+00 DAV: 2 -0.352192876999E+04 -0.28973E+01 -0.36003E+01 2744 0.569E+00 0.543E+00 DAV: 3 -0.352180618185E+04 0.12259E+00 -0.33526E+00 2856 0.143E+00 0.388E+00 DAV: 4 -0.352168351258E+04 0.12267E+00 -0.99472E-01 2880 0.933E-01 0.249E+00 DAV: 5 -0.352167460471E+04 0.89079E-02 -0.43587E-01 2640 0.758E-01 0.805E-01 DAV: 6 -0.352167351260E+04 0.10921E-02 -0.71595E-02 2704 0.331E-01 0.531E-01 DAV: 7 -0.352167145496E+04 0.20576E-02 -0.33959E-02 2784 0.256E-01 0.218E-01 DAV: 8 -0.352167137093E+04 0.84030E-04 -0.54892E-03 2688 0.834E-02 0.141E-01 DAV: 9 -0.352167124661E+04 0.12432E-03 -0.17262E-03 2728 0.638E-02 0.514E-02 DAV: 10 -0.352167134252E+04 -0.95907E-04 -0.45352E-04 2696 0.266E-02 0.388E-02 DAV: 11 -0.352167136448E+04 -0.21959E-04 -0.91991E-05 2696 0.164E-02 0.153E-02 DAV: 12 -0.352167140142E+04 -0.36939E-04 -0.50588E-05 2512 0.998E-03 0.927E-03 DAV: 13 -0.352167143423E+04 -0.32811E-04 -0.76710E-06 1832 0.718E-03 0.785E-03 DAV: 14 -0.352167145970E+04 -0.25470E-04 -0.11639E-05 1848 0.788E-03 0.410E-03 DAV: 15 -0.352167147280E+04 -0.13094E-04 -0.15339E-05 1848 0.567E-03 0.457E-03 DAV: 16 -0.352167147574E+04 -0.29444E-05 -0.32847E-06 1720 0.232E-03 30 F= -.35216715E+04 E0= -.35216910E+04 d E =-.323163E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.352164918501E+04 0.22288E-01 -0.87590E+01 2336 0.100E+01 0.210E+00 DAV: 2 -0.352183746979E+04 -0.18828E+00 -0.23631E+00 2776 0.147E+00 0.145E+00 DAV: 3 -0.352182900648E+04 0.84633E-02 -0.26154E-01 2872 0.390E-01 0.108E+00 DAV: 4 -0.352181895236E+04 0.10054E-01 -0.96263E-02 2872 0.248E-01 0.632E-01 DAV: 5 -0.352181854315E+04 0.40921E-03 -0.28559E-02 2640 0.209E-01 0.201E-01 DAV: 6 -0.352181850432E+04 0.38828E-04 -0.53778E-03 2720 0.893E-02 0.140E-01 DAV: 7 -0.352181830835E+04 0.19598E-03 -0.19332E-03 2768 0.636E-02 0.572E-02 DAV: 8 -0.352181829368E+04 0.14664E-04 -0.38541E-04 2736 0.230E-02 0.366E-02 DAV: 9 -0.352181827286E+04 0.20820E-04 -0.74449E-05 2632 0.174E-02 0.150E-02 DAV: 10 -0.352181826875E+04 0.41147E-05 -0.44266E-05 2464 0.144E-02 31 F= -.35218183E+04 E0= -.35218348E+04 d E =-.337843E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.352200561772E+04 -0.18734E+00 -0.12823E+03 2336 0.382E+01 0.854E+00 DAV: 2 -0.352497499462E+04 -0.29694E+01 -0.36960E+01 2760 0.578E+00 0.551E+00 DAV: 3 -0.352483487737E+04 0.14012E+00 -0.26400E+00 2920 0.144E+00 0.384E+00 DAV: 4 -0.352474355867E+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 -0.352472368126E+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 -0.352472210914E+04 0.96486E-05 -0.11119E-04 2672 0.184E-02 0.173E-02 DAV: 12 -0.352472211909E+04 -0.99480E-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 -0.352471704649E+04 0.50627E-02 -0.25668E+01 2336 0.543E+00 0.113E+00 DAV: 2 -0.352477042636E+04 -0.53380E-01 -0.67016E-01 2752 0.797E-01 0.757E-01 DAV: 3 -0.352476815232E+04 0.22740E-02 -0.48944E-02 2872 0.201E-01 0.563E-01 DAV: 4 -0.352476618260E+04 0.19697E-02 -0.25440E-02 2920 0.141E-01 0.365E-01 DAV: 5 -0.352476571566E+04 0.46695E-03 -0.92847E-03 2648 0.110E-01 0.101E-01 DAV: 6 -0.352476573842E+04 -0.22765E-04 -0.14152E-03 2632 0.466E-02 0.692E-02 DAV: 7 -0.352476570068E+04 0.37739E-04 -0.54717E-04 2744 0.334E-02 0.302E-02 DAV: 8 -0.352476569825E+04 0.24393E-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 -0.352522371036E+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 -0.352693343133E+04 0.10148E+00 -0.11861E+00 2880 0.108E+00 0.303E+00 DAV: 4 -0.352690689338E+04 0.26538E-01 -0.74993E-01 2984 0.799E-01 0.257E+00 DAV: 5 -0.352687618246E+04 0.30711E-01 -0.81975E-01 2928 0.690E-01 0.973E-01 DAV: 6 -0.352686852130E+04 0.76612E-02 -0.78536E-02 2576 0.306E-01 0.486E-01 DAV: 7 -0.352686646342E+04 0.20579E-02 -0.25090E-02 2728 0.206E-01 0.193E-01 DAV: 8 -0.352686645570E+04 0.77177E-05 -0.44482E-03 2712 0.786E-02 0.127E-01 DAV: 9 -0.352686631718E+04 0.13852E-03 -0.85781E-04 2648 0.478E-02 0.638E-02 DAV: 10 -0.352686631706E+04 0.12037E-06 -0.43213E-04 2680 0.281E-02 0.270E-02 DAV: 11 -0.352686632796E+04 -0.10904E-04 -0.76956E-05 2688 0.137E-02 0.181E-02 DAV: 12 -0.352686634087E+04 -0.12905E-04 -0.54013E-05 2488 0.120E-02 0.915E-03 DAV: 13 -0.352686635308E+04 -0.12208E-04 -0.10541E-05 1800 0.572E-03 0.646E-03 DAV: 14 -0.352686636519E+04 -0.12117E-04 -0.70519E-06 1760 0.552E-03 0.308E-03 DAV: 15 -0.352686637194E+04 -0.67469E-05 -0.59284E-06 1736 0.361E-03 34 F= -.35268664E+04 E0= -.35268749E+04 d E =-.210067E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.352686735284E+04 -0.98765E-03 -0.22388E+00 2352 0.161E+00 0.329E-01 DAV: 2 -0.352687206770E+04 -0.47149E-02 -0.58601E-02 2736 0.240E-01 0.224E-01 DAV: 3 -0.352687183332E+04 0.23438E-03 -0.28681E-03 2872 0.569E-02 0.162E-01 DAV: 4 -0.352687177504E+04 0.58273E-04 -0.22954E-03 3000 0.438E-02 0.131E-01 DAV: 5 -0.352687165621E+04 0.11884E-03 -0.12327E-03 2848 0.356E-02 0.366E-02 DAV: 6 -0.352687165730E+04 -0.10887E-05 -0.16484E-04 2592 0.155E-02 0.239E-02 DAV: 7 -0.352687165249E+04 0.48085E-05 -0.42312E-05 2376 0.947E-03 35 F= -.35268717E+04 E0= -.35268803E+04 d E =-.210595E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.352724381848E+04 -0.37216E+00 -0.69227E+02 2336 0.283E+01 0.593E+00 DAV: 2 -0.352887492871E+04 -0.16311E+01 -0.19685E+01 2712 0.428E+00 0.389E+00 DAV: 3 -0.352877841163E+04 0.96517E-01 -0.75071E-01 2840 0.930E-01 0.261E+00 DAV: 4 -0.352878720441E+04 -0.87928E-02 -0.74472E-01 2960 0.754E-01 0.274E+00 DAV: 5 -0.352874211278E+04 0.45092E-01 -0.97164E-01 2992 0.662E-01 0.964E-01 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 -0.352873326562E+04 0.29805E-04 -0.34124E-03 2768 0.710E-02 0.113E-01 DAV: 9 -0.352873319517E+04 0.70457E-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 -0.67689E-05 -0.14925E-04 2712 0.211E-02 0.188E-02 DAV: 12 -0.352873313855E+04 -0.15443E-04 -0.62566E-05 2648 0.169E-02 0.106E-02 DAV: 13 -0.352873315797E+04 -0.19413E-04 -0.15850E-05 1952 0.146E-02 0.814E-03 DAV: 14 -0.352873317814E+04 -0.20170E-04 -0.21280E-05 1976 0.155E-02 0.455E-03 DAV: 15 -0.352873319384E+04 -0.15702E-04 -0.52377E-05 2608 0.998E-03 0.697E-03 DAV: 16 -0.352873319483E+04 -0.99059E-06 -0.47401E-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 -0.352873491141E+04 -0.17176E-02 -0.58307E+00 2336 0.259E+00 0.531E-01 DAV: 2 -0.352874761747E+04 -0.12706E-01 -0.15451E-01 2736 0.387E-01 0.350E-01 DAV: 3 -0.352874703897E+04 0.57850E-03 -0.86353E-03 2880 0.912E-02 0.257E-01 DAV: 4 -0.352874686390E+04 0.17507E-03 -0.75118E-03 3000 0.719E-02 0.213E-01 DAV: 5 -0.352874655358E+04 0.31032E-03 -0.32544E-03 2816 0.605E-02 0.622E-02 DAV: 6 -0.352874655422E+04 -0.64188E-06 -0.59728E-04 2664 0.263E-02 0.423E-02 DAV: 7 -0.352874653671E+04 0.17513E-04 -0.12236E-04 2624 0.143E-02 0.225E-02 DAV: 8 -0.352874653376E+04 0.29474E-05 -0.64165E-05 2488 0.101E-02 37 F= -.35287465E+04 E0= -.35287613E+04 d E =-.187488E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.352905631423E+04 -0.30978E+00 -0.70899E+02 2336 0.285E+01 0.602E+00 DAV: 2 -0.353070189530E+04 -0.16456E+01 -0.19886E+01 2736 0.432E+00 0.376E+00 DAV: 3 -0.353061021527E+04 0.91680E-01 -0.47414E-01 2776 0.821E-01 0.247E+00 DAV: 4 -0.353057991023E+04 0.30305E-01 -0.29088E-01 2736 0.752E-01 0.898E-01 DAV: 5 -0.353058315686E+04 -0.32466E-02 -0.11545E-01 2840 0.352E-01 0.625E-01 DAV: 6 -0.353058062470E+04 0.25322E-02 -0.52819E-02 2912 0.209E-01 0.403E-01 DAV: 7 -0.353057937556E+04 0.12491E-02 -0.16735E-02 2912 0.129E-01 0.163E-01 DAV: 8 -0.353057924030E+04 0.13526E-03 -0.24026E-03 2688 0.512E-02 0.833E-02 DAV: 9 -0.353057920261E+04 0.37691E-04 -0.58174E-04 2704 0.372E-02 0.363E-02 DAV: 10 -0.353057921845E+04 -0.15843E-04 -0.24562E-04 2752 0.209E-02 0.276E-02 DAV: 11 -0.353057921282E+04 0.56323E-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 -0.353057570208E+04 0.35164E-02 -0.17837E+01 2336 0.453E+00 0.916E-01 DAV: 2 -0.353061466971E+04 -0.38968E-01 -0.47430E-01 2720 0.674E-01 0.571E-01 DAV: 3 -0.353061270106E+04 0.19686E-02 -0.11967E-02 2784 0.125E-01 0.369E-01 DAV: 4 -0.353061238644E+04 0.31462E-03 -0.87581E-03 2792 0.127E-01 0.212E-01 DAV: 5 -0.353061225600E+04 0.13044E-03 -0.76942E-03 2944 0.728E-02 0.142E-01 DAV: 6 -0.353061204879E+04 0.20721E-03 -0.15540E-03 2808 0.364E-02 0.596E-02 DAV: 7 -0.353061203301E+04 0.15782E-04 -0.40760E-04 2712 0.256E-02 0.260E-02 DAV: 8 -0.353061203082E+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 -0.353110671796E+04 -0.49468E+00 -0.59009E+02 2344 0.260E+01 0.535E+00 DAV: 2 -0.353250048147E+04 -0.13938E+01 -0.16651E+01 2712 0.389E+00 0.342E+00 DAV: 3 -0.353243331907E+04 0.67162E-01 -0.44358E-01 2768 0.736E-01 0.230E+00 DAV: 4 -0.353242422897E+04 0.90901E-02 -0.37183E-01 2792 0.676E-01 0.133E+00 DAV: 5 -0.353240692955E+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 -0.353240270619E+04 0.97357E-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 -0.10404E-04 -0.32708E-04 2688 0.260E-02 0.109E-02 DAV: 15 -0.353240263767E+04 -0.74167E-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 -0.353238791119E+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 0.27666E-04 -0.31522E-04 2752 0.209E-02 0.326E-02 DAV: 9 -0.353252548057E+04 0.15165E-04 -0.62438E-05 2624 0.137E-02 0.160E-02 DAV: 10 -0.353252547966E+04 0.91057E-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 -0.353302250469E+04 -0.49702E+00 -0.56375E+02 2344 0.253E+01 0.532E+00 DAV: 2 -0.353438374275E+04 -0.13612E+01 -0.15904E+01 2752 0.379E+00 0.330E+00 DAV: 3 -0.353431711685E+04 0.66626E-01 -0.45080E-01 2768 0.742E-01 0.224E+00 DAV: 4 -0.353431818126E+04 -0.10644E-02 -0.37223E-01 2800 0.604E-01 0.154E+00 DAV: 5 -0.353429147286E+04 0.26708E-01 -0.18304E-01 2752 0.437E-01 0.506E-01 DAV: 6 -0.353428956981E+04 0.19031E-02 -0.25541E-02 2736 0.215E-01 0.307E-01 DAV: 7 -0.353428910248E+04 0.46733E-03 -0.12421E-02 2720 0.150E-01 0.148E-01 DAV: 8 -0.353428900344E+04 0.99035E-04 -0.17085E-03 2712 0.497E-02 0.854E-02 DAV: 9 -0.353428894607E+04 0.57374E-04 -0.56373E-04 2744 0.369E-02 0.373E-02 DAV: 10 -0.353428895208E+04 -0.60100E-05 -0.26441E-04 2720 0.177E-02 0.244E-02 DAV: 11 -0.353428895122E+04 0.85613E-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 -0.353428629681E+04 0.26553E-02 -0.45967E+01 2336 0.725E+00 0.147E+00 DAV: 2 -0.353439210430E+04 -0.10581E+00 -0.12455E+00 2744 0.107E+00 0.925E-01 DAV: 3 -0.353438723647E+04 0.48678E-02 -0.33996E-02 2768 0.213E-01 0.626E-01 DAV: 4 -0.353438801110E+04 -0.77463E-03 -0.27777E-02 2776 0.177E-01 0.497E-01 DAV: 5 -0.353438495306E+04 0.30580E-02 -0.16460E-02 2728 0.135E-01 0.131E-01 DAV: 6 -0.353438503060E+04 -0.77540E-04 -0.29589E-03 2640 0.567E-02 0.891E-02 DAV: 7 -0.353438496658E+04 0.64018E-04 -0.83732E-04 2736 0.380E-02 0.432E-02 DAV: 8 -0.353438495899E+04 0.75959E-05 -0.17661E-04 2720 0.145E-02 0.248E-02 DAV: 9 -0.353438495728E+04 0.17065E-05 -0.43458E-05 2376 0.956E-03 43 F= -.35343850E+04 E0= -.35343906E+04 d E =-.185948E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.353491692605E+04 -0.53197E+00 -0.28495E+02 2336 0.181E+01 0.389E+00 DAV: 2 -0.353560609471E+04 -0.68917E+00 -0.82010E+00 2768 0.273E+00 0.244E+00 DAV: 3 -0.353556246584E+04 0.43629E-01 -0.21862E-01 2776 0.547E-01 0.160E+00 DAV: 4 -0.353556443194E+04 -0.19661E-02 -0.13315E-01 2784 0.483E-01 0.108E+00 DAV: 5 -0.353554596344E+04 0.18469E-01 -0.91412E-02 2720 0.329E-01 0.389E-01 DAV: 6 -0.353554545151E+04 0.51193E-03 -0.23507E-02 2688 0.145E-01 0.239E-01 DAV: 7 -0.353554498518E+04 0.46633E-03 -0.64491E-03 2680 0.998E-02 0.115E-01 DAV: 8 -0.353554490158E+04 0.83601E-04 -0.12253E-03 2688 0.378E-02 0.669E-02 DAV: 9 -0.353554487719E+04 0.24396E-04 -0.26420E-04 2800 0.240E-02 0.376E-02 DAV: 10 -0.353554486937E+04 0.78205E-05 -0.13345E-04 2776 0.174E-02 0.166E-02 DAV: 11 -0.353554487193E+04 -0.25627E-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 -0.353554778419E+04 -0.29148E-02 -0.22721E+00 2352 0.162E+00 0.338E-01 DAV: 2 -0.353555324951E+04 -0.54653E-02 -0.65211E-02 2760 0.243E-01 0.220E-01 DAV: 3 -0.353555289197E+04 0.35754E-03 -0.16955E-03 2776 0.490E-02 0.144E-01 DAV: 4 -0.353555292506E+04 -0.33086E-04 -0.10931E-03 2784 0.441E-02 0.111E-01 DAV: 5 -0.353555275712E+04 0.16794E-03 -0.76563E-04 2784 0.331E-02 0.422E-02 DAV: 6 -0.353555274865E+04 0.84667E-05 -0.21153E-04 2640 0.140E-02 0.223E-02 DAV: 7 -0.353555274486E+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 -0.353629912385E+04 -0.74638E+00 -0.19418E+02 2336 0.150E+01 0.308E+00 DAV: 2 -0.353676701821E+04 -0.46789E+00 -0.55191E+00 2768 0.225E+00 0.191E+00 DAV: 3 -0.353674354680E+04 0.23471E-01 -0.13054E-01 2800 0.422E-01 0.123E+00 DAV: 4 -0.353674321002E+04 0.33679E-03 -0.87749E-02 2776 0.412E-01 0.739E-01 DAV: 5 -0.353674003804E+04 0.31720E-02 -0.50874E-02 2776 0.241E-01 0.408E-01 DAV: 6 -0.353673822148E+04 0.18166E-02 -0.82199E-03 2592 0.115E-01 0.223E-01 DAV: 7 -0.353673786628E+04 0.35519E-03 -0.60535E-03 2752 0.101E-01 0.982E-02 DAV: 8 -0.353673782830E+04 0.37989E-04 -0.11250E-03 2768 0.344E-02 0.621E-02 DAV: 9 -0.353673779323E+04 0.35070E-04 -0.24954E-04 2760 0.253E-02 0.261E-02 DAV: 10 -0.353673780215E+04 -0.89210E-05 -0.13606E-04 2664 0.147E-02 0.160E-02 DAV: 11 -0.353673780432E+04 -0.21692E-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 -0.353675366998E+04 -0.15868E-01 -0.11478E+02 2344 0.116E+01 0.234E+00 DAV: 2 -0.353702289855E+04 -0.26923E+00 -0.31799E+00 2760 0.172E+00 0.146E+00 DAV: 3 -0.353700893696E+04 0.13962E-01 -0.74038E-02 2816 0.319E-01 0.935E-01 DAV: 4 -0.353700734082E+04 0.15961E-02 -0.47670E-02 2776 0.309E-01 0.438E-01 DAV: 5 -0.353700704269E+04 0.29812E-03 -0.25268E-02 2776 0.153E-01 0.279E-01 DAV: 6 -0.353700619793E+04 0.84477E-03 -0.41664E-03 2608 0.797E-02 0.147E-01 DAV: 7 -0.353700608572E+04 0.11221E-03 -0.28000E-03 2728 0.683E-02 0.678E-02 DAV: 8 -0.353700605891E+04 0.26811E-04 -0.44094E-04 2792 0.233E-02 0.436E-02 DAV: 9 -0.353700604742E+04 0.11483E-04 -0.17040E-04 2640 0.203E-02 0.167E-02 DAV: 10 -0.353700605623E+04 -0.88097E-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 -0.353760293415E+04 -0.59689E+00 -0.18047E+02 2336 0.145E+01 0.298E+00 DAV: 2 -0.353802458556E+04 -0.42165E+00 -0.50404E+00 2744 0.215E+00 0.188E+00 DAV: 3 -0.353800140358E+04 0.23182E-01 -0.12318E-01 2800 0.417E-01 0.121E+00 DAV: 4 -0.353799651386E+04 0.48897E-02 -0.74588E-02 2768 0.396E-01 0.492E-01 DAV: 5 -0.353799715569E+04 -0.64183E-03 -0.33588E-02 2776 0.170E-01 0.310E-01 DAV: 6 -0.353799628864E+04 0.86705E-03 -0.71739E-03 2720 0.951E-02 0.174E-01 DAV: 7 -0.353799610233E+04 0.18631E-03 -0.38197E-03 2704 0.774E-02 0.833E-02 DAV: 8 -0.353799604105E+04 0.61277E-04 -0.57208E-04 2640 0.272E-02 0.523E-02 DAV: 9 -0.353799602023E+04 0.20823E-04 -0.23683E-04 2664 0.245E-02 0.203E-02 DAV: 10 -0.353799602722E+04 -0.69901E-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 -0.353799276926E+04 0.32510E-02 -0.10293E+02 2336 0.109E+01 0.222E+00 DAV: 2 -0.353822813122E+04 -0.23536E+00 -0.28108E+00 2736 0.161E+00 0.141E+00 DAV: 3 -0.353821524885E+04 0.12882E-01 -0.69395E-02 2792 0.311E-01 0.902E-01 DAV: 4 -0.353821244399E+04 0.28049E-02 -0.39015E-02 2760 0.292E-01 0.337E-01 DAV: 5 -0.353821293529E+04 -0.49130E-03 -0.15206E-02 2792 0.119E-01 0.207E-01 DAV: 6 -0.353821259491E+04 0.34038E-03 -0.37334E-03 2728 0.698E-02 0.114E-01 DAV: 7 -0.353821251951E+04 0.75404E-04 -0.17046E-03 2704 0.472E-02 0.581E-02 DAV: 8 -0.353821249324E+04 0.26265E-04 -0.24000E-04 2680 0.178E-02 0.358E-02 DAV: 9 -0.353821249122E+04 0.20209E-05 -0.11415E-04 2672 0.169E-02 0.135E-02 DAV: 10 -0.353821249902E+04 -0.77996E-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 -0.353872184646E+04 -0.50936E+00 -0.20174E+02 2336 0.153E+01 0.316E+00 DAV: 2 -0.353915117284E+04 -0.42933E+00 -0.53249E+00 2776 0.225E+00 0.196E+00 DAV: 3 -0.353912662170E+04 0.24551E-01 -0.15358E-01 2816 0.451E-01 0.126E+00 DAV: 4 -0.353912281714E+04 0.38046E-02 -0.99028E-02 2776 0.381E-01 0.608E-01 DAV: 5 -0.353912196226E+04 0.85488E-03 -0.54895E-02 2792 0.190E-01 0.313E-01 DAV: 6 -0.353912106057E+04 0.90169E-03 -0.89363E-03 2648 0.102E-01 0.171E-01 DAV: 7 -0.353912092311E+04 0.13745E-03 -0.38892E-03 2728 0.801E-02 0.813E-02 DAV: 8 -0.353912086922E+04 0.53892E-04 -0.47438E-04 2720 0.265E-02 0.500E-02 DAV: 9 -0.353912085750E+04 0.11718E-04 -0.29015E-04 2680 0.248E-02 0.183E-02 DAV: 10 -0.353912086021E+04 -0.27049E-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 -0.353910190490E+04 0.18953E-01 -0.10714E+02 2336 0.111E+01 0.228E+00 DAV: 2 -0.353932779423E+04 -0.22589E+00 -0.28023E+00 2752 0.164E+00 0.142E+00 DAV: 3 -0.353931518165E+04 0.12613E-01 -0.79100E-02 2800 0.325E-01 0.908E-01 DAV: 4 -0.353931327269E+04 0.19090E-02 -0.51886E-02 2776 0.281E-01 0.424E-01 DAV: 5 -0.353931290147E+04 0.37122E-03 -0.28104E-02 2776 0.135E-01 0.224E-01 DAV: 6 -0.353931243743E+04 0.46404E-03 -0.45547E-03 2680 0.734E-02 0.122E-01 DAV: 7 -0.353931236563E+04 0.71794E-04 -0.19485E-03 2720 0.561E-02 0.579E-02 DAV: 8 -0.353931233785E+04 0.27784E-04 -0.22719E-04 2728 0.189E-02 0.351E-02 DAV: 9 -0.353931233252E+04 0.53261E-05 -0.14672E-04 2624 0.176E-02 0.133E-02 DAV: 10 -0.353931233344E+04 -0.91424E-06 -0.23743E-05 1912 0.633E-03 51 F= -.35393123E+04 E0= -.35393243E+04 d E =-.109983E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.353978615705E+04 -0.47382E+00 -0.21087E+02 2336 0.157E+01 0.318E+00 DAV: 2 -0.354023854770E+04 -0.45239E+00 -0.55517E+00 2736 0.231E+00 0.205E+00 DAV: 3 -0.354021307307E+04 0.25475E-01 -0.15122E-01 2856 0.454E-01 0.133E+00 DAV: 4 -0.354020740344E+04 0.56696E-02 -0.10139E-01 2768 0.393E-01 0.584E-01 DAV: 5 -0.354020687947E+04 0.52398E-03 -0.58106E-02 2784 0.187E-01 0.328E-01 DAV: 6 -0.354020572439E+04 0.11551E-02 -0.10113E-02 2712 0.103E-01 0.171E-01 DAV: 7 -0.354020560247E+04 0.12192E-03 -0.38545E-03 2720 0.798E-02 0.796E-02 DAV: 8 -0.354020554696E+04 0.55504E-04 -0.44373E-04 2760 0.287E-02 0.481E-02 DAV: 9 -0.354020554343E+04 0.35377E-05 -0.30480E-04 2688 0.254E-02 0.208E-02 DAV: 10 -0.354020554631E+04 -0.28831E-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 -0.354016058820E+04 0.44955E-01 -0.13454E+02 2336 0.125E+01 0.252E+00 DAV: 2 -0.354044742537E+04 -0.28684E+00 -0.35152E+00 2736 0.184E+00 0.163E+00 DAV: 3 -0.354043151221E+04 0.15913E-01 -0.91246E-02 2824 0.357E-01 0.105E+00 DAV: 4 -0.354042766980E+04 0.38424E-02 -0.61050E-02 2760 0.320E-01 0.423E-01 DAV: 5 -0.354042761687E+04 0.52931E-04 -0.32094E-02 2784 0.145E-01 0.256E-01 DAV: 6 -0.354042691206E+04 0.70481E-03 -0.64105E-03 2728 0.819E-02 0.132E-01 DAV: 7 -0.354042681983E+04 0.92229E-04 -0.21409E-03 2720 0.592E-02 0.602E-02 DAV: 8 -0.354042678662E+04 0.33204E-04 -0.25125E-04 2816 0.234E-02 0.357E-02 DAV: 9 -0.354042678126E+04 0.53619E-05 -0.16107E-04 2608 0.208E-02 0.162E-02 DAV: 10 -0.354042678291E+04 -0.16495E-05 -0.33281E-05 2160 0.104E-02 53 F= -.35404268E+04 E0= -.35404452E+04 d E =-.111445E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.354090944011E+04 -0.48266E+00 -0.19255E+02 2336 0.150E+01 0.304E+00 DAV: 2 -0.354132177464E+04 -0.41233E+00 -0.50582E+00 2720 0.221E+00 0.192E+00 DAV: 3 -0.354129953470E+04 0.22240E-01 -0.12032E-01 2784 0.425E-01 0.123E+00 DAV: 4 -0.354129414100E+04 0.53937E-02 -0.69046E-02 2760 0.383E-01 0.398E-01 DAV: 5 -0.354129510171E+04 -0.96072E-03 -0.15829E-02 2696 0.143E-01 0.232E-01 DAV: 6 -0.354129472811E+04 0.37360E-03 -0.56898E-03 2752 0.107E-01 0.978E-02 DAV: 7 -0.354129470515E+04 0.22966E-04 -0.12886E-03 2736 0.348E-02 0.605E-02 DAV: 8 -0.354129467366E+04 0.31489E-04 -0.29228E-04 2672 0.199E-02 0.328E-02 DAV: 9 -0.354129467707E+04 -0.34137E-05 -0.16099E-04 2640 0.137E-02 0.179E-02 DAV: 10 -0.354129467606E+04 0.10138E-05 -0.28532E-05 1840 0.576E-03 54 F= -.35412947E+04 E0= -.35413112E+04 d E =-.867893E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354114119358E+04 0.15348E+00 -0.24578E+02 2336 0.169E+01 0.344E+00 DAV: 2 -0.354167134638E+04 -0.53015E+00 -0.64837E+00 2712 0.250E+00 0.216E+00 DAV: 3 -0.354164352397E+04 0.27822E-01 -0.15430E-01 2784 0.480E-01 0.139E+00 DAV: 4 -0.354163691450E+04 0.66095E-02 -0.92358E-02 2752 0.442E-01 0.449E-01 DAV: 5 -0.354163790867E+04 -0.99417E-03 -0.21439E-02 2704 0.168E-01 0.268E-01 DAV: 6 -0.354163746993E+04 0.43874E-03 -0.77009E-03 2744 0.115E-01 0.125E-01 DAV: 7 -0.354163742087E+04 0.49056E-04 -0.24570E-03 2752 0.433E-02 0.751E-02 DAV: 8 -0.354163736729E+04 0.53585E-04 -0.46470E-04 2680 0.227E-02 0.402E-02 DAV: 9 -0.354163737561E+04 -0.83200E-05 -0.22105E-04 2688 0.192E-02 0.213E-02 DAV: 10 -0.354163737774E+04 -0.21299E-05 -0.32861E-05 2048 0.734E-03 55 F= -.35416374E+04 E0= -.35416531E+04 d E =-.121059E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.354193273204E+04 -0.29536E+00 -0.28495E+02 2336 0.181E+01 0.373E+00 DAV: 2 -0.354256769840E+04 -0.63497E+00 -0.77649E+00 2760 0.271E+00 0.233E+00 DAV: 3 -0.354253226717E+04 0.35431E-01 -0.17857E-01 2776 0.517E-01 0.151E+00 DAV: 4 -0.354252240484E+04 0.98623E-02 -0.10806E-01 2744 0.481E-01 0.503E-01 DAV: 5 -0.354252343289E+04 -0.10280E-02 -0.25106E-02 2784 0.192E-01 0.285E-01 DAV: 6 -0.354252302288E+04 0.41001E-03 -0.89095E-03 2760 0.121E-01 0.133E-01 DAV: 7 -0.354252295400E+04 0.68877E-04 -0.27302E-03 2744 0.433E-02 0.822E-02 DAV: 8 -0.354252287927E+04 0.74732E-04 -0.59613E-04 2688 0.240E-02 0.418E-02 DAV: 9 -0.354252287987E+04 -0.59747E-06 -0.22862E-04 2728 0.211E-02 0.215E-02 DAV: 10 -0.354252288128E+04 -0.14127E-05 -0.43446E-05 2344 0.869E-03 56 F= -.35425229E+04 E0= -.35425390E+04 d E =-.885504E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354246862756E+04 0.54252E-01 -0.87905E+01 2336 0.101E+01 0.204E+00 DAV: 2 -0.354265904182E+04 -0.19041E+00 -0.23191E+00 2752 0.149E+00 0.126E+00 DAV: 3 -0.354264930346E+04 0.97384E-02 -0.52845E-02 2776 0.275E-01 0.813E-01 DAV: 4 -0.354264670147E+04 0.26020E-02 -0.32203E-02 2744 0.269E-01 0.265E-01 DAV: 5 -0.354264690708E+04 -0.20562E-03 -0.75680E-03 2776 0.109E-01 0.159E-01 DAV: 6 -0.354264675932E+04 0.14777E-03 -0.26338E-03 2752 0.681E-02 0.684E-02 DAV: 7 -0.354264674683E+04 0.12483E-04 -0.62391E-04 2712 0.229E-02 0.419E-02 DAV: 8 -0.354264673105E+04 0.15779E-04 -0.17077E-04 2688 0.129E-02 0.233E-02 DAV: 9 -0.354264673101E+04 0.46653E-07 -0.73991E-05 2464 0.110E-02 57 F= -.35426467E+04 E0= -.35426633E+04 d E =-.100935E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.354285360835E+04 -0.20688E+00 -0.34325E+02 2336 0.199E+01 0.403E+00 DAV: 2 -0.354364248141E+04 -0.78887E+00 -0.94815E+00 2712 0.297E+00 0.254E+00 DAV: 3 -0.354360310425E+04 0.39377E-01 -0.21205E-01 2784 0.571E-01 0.167E+00 DAV: 4 -0.354359042011E+04 0.12684E-01 -0.14380E-01 2768 0.586E-01 0.568E-01 DAV: 5 -0.354359093975E+04 -0.51964E-03 -0.36094E-02 2912 0.249E-01 0.337E-01 DAV: 6 -0.354359020582E+04 0.73392E-03 -0.11529E-02 2720 0.145E-01 0.139E-01 DAV: 7 -0.354359003933E+04 0.16650E-03 -0.19444E-03 2816 0.524E-02 0.700E-02 DAV: 8 -0.354358996357E+04 0.75751E-04 -0.40991E-04 2752 0.324E-02 0.386E-02 DAV: 9 -0.354358994143E+04 0.22146E-04 -0.28976E-04 2824 0.247E-02 0.260E-02 DAV: 10 -0.354358992777E+04 0.13654E-04 -0.11190E-04 2688 0.138E-02 0.171E-02 DAV: 11 -0.354358991905E+04 0.87259E-05 -0.33357E-05 2136 0.118E-02 58 F= -.35435899E+04 E0= -.35436066E+04 d E =-.943188E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354350620597E+04 0.83722E-01 -0.10580E+02 2336 0.111E+01 0.219E+00 DAV: 2 -0.354374143441E+04 -0.23523E+00 -0.28050E+00 2728 0.164E+00 0.138E+00 DAV: 3 -0.354373087399E+04 0.10560E-01 -0.61177E-02 2816 0.292E-01 0.897E-01 DAV: 4 -0.354372789973E+04 0.29743E-02 -0.41348E-02 2768 0.302E-01 0.300E-01 DAV: 5 -0.354372799515E+04 -0.95425E-04 -0.10439E-02 2888 0.121E-01 0.193E-01 DAV: 6 -0.354372780909E+04 0.18607E-03 -0.48193E-03 2736 0.736E-02 0.110E-01 DAV: 7 -0.354372771564E+04 0.93450E-04 -0.18799E-03 2776 0.361E-02 0.524E-02 DAV: 8 -0.354372769623E+04 0.19407E-04 -0.21185E-04 2672 0.166E-02 0.291E-02 DAV: 9 -0.354372769735E+04 -0.11138E-05 -0.96439E-05 2664 0.156E-02 59 F= -.35437277E+04 E0= -.35437443E+04 d E =-.108097E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.354375879717E+04 -0.31101E-01 -0.38304E+02 2336 0.209E+01 0.428E+00 DAV: 2 -0.354469487201E+04 -0.93607E+00 -0.11017E+01 2704 0.313E+00 0.265E+00 DAV: 3 -0.354465474022E+04 0.40132E-01 -0.23719E-01 2792 0.568E-01 0.175E+00 DAV: 4 -0.354464573252E+04 0.90077E-02 -0.19299E-01 2776 0.584E-01 0.738E-01 DAV: 5 -0.354464369383E+04 0.20387E-02 -0.85446E-02 2832 0.248E-01 0.445E-01 DAV: 6 -0.354464189849E+04 0.17953E-02 -0.18447E-02 2728 0.152E-01 0.223E-01 DAV: 7 -0.354464163564E+04 0.26285E-03 -0.58698E-03 2728 0.881E-02 0.931E-02 DAV: 8 -0.354464159156E+04 0.44078E-04 -0.61909E-04 2712 0.339E-02 0.528E-02 DAV: 9 -0.354464157608E+04 0.15479E-04 -0.29614E-04 2704 0.272E-02 0.240E-02 DAV: 10 -0.354464157833E+04 -0.22535E-05 -0.84189E-05 2648 0.119E-02 60 F= -.35446416E+04 E0= -.35446581E+04 d E =-.913881E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354460508918E+04 0.36487E-01 -0.46540E+01 2336 0.731E+00 0.146E+00 DAV: 2 -0.354471177777E+04 -0.10669E+00 -0.12528E+00 2704 0.108E+00 0.897E-01 DAV: 3 -0.354470733679E+04 0.44410E-02 -0.27576E-02 2784 0.191E-01 0.579E-01 DAV: 4 -0.354470640388E+04 0.93292E-03 -0.20681E-02 2776 0.188E-01 0.245E-01 DAV: 5 -0.354470619713E+04 0.20674E-03 -0.10276E-02 2768 0.831E-02 0.144E-01 DAV: 6 -0.354470599718E+04 0.19996E-03 -0.17196E-03 2656 0.482E-02 0.761E-02 DAV: 7 -0.354470594773E+04 0.49443E-04 -0.67414E-04 2728 0.346E-02 0.331E-02 DAV: 8 -0.354470592639E+04 0.21341E-04 -0.84202E-05 2760 0.164E-02 0.209E-02 DAV: 9 -0.354470590161E+04 0.24780E-04 -0.46766E-05 2528 0.169E-02 0.123E-02 DAV: 10 -0.354470588430E+04 0.17311E-04 -0.37371E-05 2456 0.129E-02 0.117E-02 DAV: 11 -0.354470587530E+04 0.90028E-05 -0.22395E-05 1968 0.736E-03 61 F= -.35447059E+04 E0= -.35447206E+04 d E =-.978178E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354471326555E+04 -0.73813E-02 -0.33123E+02 2336 0.195E+01 0.395E+00 DAV: 2 -0.354554013983E+04 -0.82687E+00 -0.95951E+00 2736 0.289E+00 0.241E+00 DAV: 3 -0.354550507053E+04 0.35069E-01 -0.19841E-01 2800 0.508E-01 0.157E+00 DAV: 4 -0.354549583382E+04 0.92367E-02 -0.14808E-01 2776 0.510E-01 0.629E-01 DAV: 5 -0.354549397676E+04 0.18571E-02 -0.58973E-02 2768 0.220E-01 0.368E-01 DAV: 6 -0.354549252166E+04 0.14551E-02 -0.11324E-02 2720 0.137E-01 0.187E-01 DAV: 7 -0.354549190344E+04 0.61822E-03 -0.33313E-03 2824 0.894E-02 0.867E-02 DAV: 8 -0.354549164129E+04 0.26214E-03 -0.82012E-04 2904 0.616E-02 0.489E-02 DAV: 9 -0.354549161978E+04 0.21517E-04 -0.65925E-04 2656 0.362E-02 0.325E-02 DAV: 10 -0.354549159810E+04 0.21680E-04 -0.80372E-05 2696 0.149E-02 0.193E-02 DAV: 11 -0.354549158985E+04 0.82500E-05 -0.39907E-05 2440 0.133E-02 62 F= -.35454916E+04 E0= -.35455043E+04 d E =-.785715E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354547482038E+04 0.16778E-01 -0.23547E+01 2336 0.519E+00 0.104E+00 DAV: 2 -0.354552966982E+04 -0.54849E-01 -0.63898E-01 2760 0.767E-01 0.626E-01 DAV: 3 -0.354552731229E+04 0.23575E-02 -0.13421E-02 2808 0.132E-01 0.399E-01 DAV: 4 -0.354552679559E+04 0.51670E-03 -0.89470E-03 2768 0.127E-01 0.165E-01 DAV: 5 -0.354552670206E+04 0.93530E-04 -0.41541E-03 2800 0.565E-02 0.917E-02 DAV: 6 -0.354552663454E+04 0.67521E-04 -0.62602E-04 2656 0.314E-02 0.476E-02 DAV: 7 -0.354552662729E+04 0.72504E-05 -0.25357E-04 2688 0.190E-02 0.213E-02 DAV: 8 -0.354552662600E+04 0.12886E-05 -0.18499E-05 1856 0.694E-03 63 F= -.35455266E+04 E0= -.35455389E+04 d E =-.820751E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354576050087E+04 -0.23387E+00 -0.21635E+02 2336 0.159E+01 0.313E+00 DAV: 2 -0.354626296119E+04 -0.50246E+00 -0.58651E+00 2736 0.233E+00 0.194E+00 DAV: 3 -0.354624015108E+04 0.22810E-01 -0.12550E-01 2800 0.419E-01 0.124E+00 DAV: 4 -0.354623372524E+04 0.64258E-02 -0.81490E-02 2744 0.397E-01 0.442E-01 DAV: 5 -0.354623369934E+04 0.25897E-04 -0.28864E-02 2784 0.163E-01 0.273E-01 DAV: 6 -0.354623313438E+04 0.56496E-03 -0.70020E-03 2720 0.985E-02 0.135E-01 DAV: 7 -0.354623306436E+04 0.70024E-04 -0.20045E-03 2712 0.497E-02 0.641E-02 DAV: 8 -0.354623303555E+04 0.28812E-04 -0.21660E-04 2728 0.223E-02 0.335E-02 DAV: 9 -0.354623303956E+04 -0.40116E-05 -0.15380E-04 2648 0.185E-02 0.171E-02 DAV: 10 -0.354623304142E+04 -0.18583E-05 -0.25931E-05 1976 0.809E-03 64 F= -.35462330E+04 E0= -.35462461E+04 d E =-.706415E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354622029853E+04 0.12741E-01 -0.38443E+01 2336 0.670E+00 0.131E+00 DAV: 2 -0.354630767154E+04 -0.87373E-01 -0.10225E+00 2736 0.983E-01 0.823E-01 DAV: 3 -0.354630351608E+04 0.41555E-02 -0.22339E-02 2800 0.176E-01 0.528E-01 DAV: 4 -0.354630230567E+04 0.12104E-02 -0.14222E-02 2744 0.166E-01 0.187E-01 DAV: 5 -0.354630231672E+04 -0.11042E-04 -0.52373E-03 2768 0.690E-02 0.114E-01 DAV: 6 -0.354630221841E+04 0.98310E-04 -0.12471E-03 2688 0.412E-02 0.566E-02 DAV: 7 -0.354630220876E+04 0.96436E-05 -0.35831E-04 2704 0.213E-02 0.271E-02 DAV: 8 -0.354630220602E+04 0.27367E-05 -0.37131E-05 2336 0.960E-03 65 F= -.35463022E+04 E0= -.35463157E+04 d E =-.775580E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354660953714E+04 -0.30733E+00 -0.17784E+02 2336 0.143E+01 0.281E+00 DAV: 2 -0.354701149410E+04 -0.40196E+00 -0.46831E+00 2776 0.209E+00 0.170E+00 DAV: 3 -0.354699516372E+04 0.16330E-01 -0.92739E-02 2792 0.367E-01 0.109E+00 DAV: 4 -0.354699162465E+04 0.35391E-02 -0.62895E-02 2760 0.368E-01 0.366E-01 DAV: 5 -0.354699178844E+04 -0.16379E-03 -0.19120E-02 2768 0.144E-01 0.242E-01 DAV: 6 -0.354699134951E+04 0.43893E-03 -0.55189E-03 2728 0.915E-02 0.115E-01 DAV: 7 -0.354699129249E+04 0.57026E-04 -0.16868E-03 2712 0.433E-02 0.561E-02 DAV: 8 -0.354699126275E+04 0.29737E-04 -0.17395E-04 2688 0.198E-02 0.300E-02 DAV: 9 -0.354699125901E+04 0.37346E-05 -0.13341E-04 2648 0.180E-02 0.156E-02 DAV: 10 -0.354699125470E+04 0.43142E-05 -0.24371E-05 1968 0.910E-03 66 F= -.35469913E+04 E0= -.35470048E+04 d E =-.689049E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.354687115474E+04 0.12010E+00 -0.15362E+02 2336 0.133E+01 0.261E+00 DAV: 2 -0.354721854717E+04 -0.34739E+00 -0.40519E+00 2776 0.194E+00 0.159E+00 DAV: 3 -0.354720379986E+04 0.14747E-01 -0.80462E-02 2784 0.347E-01 0.102E+00 DAV: 4 -0.354719922652E+04 0.45733E-02 -0.52652E-02 2776 0.365E-01 0.343E-01 DAV: 5 -0.354719935093E+04 -0.12441E-03 -0.20486E-02 2768 0.164E-01 0.238E-01 DAV: 6 -0.354719883758E+04 0.51335E-03 -0.60753E-03 2664 0.969E-02 0.118E-01 DAV: 7 -0.354719860478E+04 0.23279E-03 -0.15251E-03 2792 0.491E-02 0.579E-02 DAV: 8 -0.354719846486E+04 0.13992E-03 -0.22495E-04 2992 0.377E-02 0.311E-02 DAV: 9 -0.354719838310E+04 0.81765E-04 -0.16898E-04 2992 0.389E-02 0.157E-02 DAV: 10 -0.354719837197E+04 0.11132E-04 -0.19343E-04 2720 0.225E-02 0.142E-02 DAV: 11 -0.354719836620E+04 0.57689E-05 -0.37299E-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 -0.354735529404E+04 -0.15692E+00 -0.25039E+02 2336 0.170E+01 0.342E+00 DAV: 2 -0.354793064716E+04 -0.57535E+00 -0.68140E+00 2768 0.249E+00 0.204E+00 DAV: 3 -0.354790577640E+04 0.24871E-01 -0.14137E-01 2784 0.448E-01 0.131E+00 DAV: 4 -0.354790047674E+04 0.52997E-02 -0.97201E-02 2760 0.452E-01 0.471E-01 DAV: 5 -0.354790039809E+04 0.78654E-04 -0.29457E-02 2752 0.174E-01 0.304E-01 DAV: 6 -0.354789966638E+04 0.73171E-03 -0.79015E-03 2680 0.116E-01 0.136E-01 DAV: 7 -0.354789960036E+04 0.66014E-04 -0.22103E-03 2680 0.500E-02 0.667E-02 DAV: 8 -0.354789957138E+04 0.28978E-04 -0.23512E-04 2704 0.223E-02 0.345E-02 DAV: 9 -0.354789957816E+04 -0.67754E-05 -0.16567E-04 2744 0.201E-02 0.157E-02 DAV: 10 -0.354789958658E+04 -0.84147E-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 -0.354781958004E+04 0.79998E-01 -0.90324E+01 2336 0.102E+01 0.204E+00 DAV: 2 -0.354801874956E+04 -0.19917E+00 -0.23767E+00 2760 0.149E+00 0.121E+00 DAV: 3 -0.354801019698E+04 0.85526E-02 -0.49212E-02 2784 0.266E-01 0.772E-01 DAV: 4 -0.354800828074E+04 0.19162E-02 -0.32749E-02 2776 0.268E-01 0.263E-01 DAV: 5 -0.354800823643E+04 0.44309E-04 -0.88686E-03 2768 0.106E-01 0.174E-01 DAV: 6 -0.354800791919E+04 0.31723E-03 -0.29105E-03 2736 0.744E-02 0.776E-02 DAV: 7 -0.354800774747E+04 0.17172E-03 -0.66443E-04 2808 0.395E-02 0.513E-02 DAV: 8 -0.354800749302E+04 0.25445E-03 -0.19473E-04 2984 0.365E-02 0.502E-02 DAV: 9 -0.354800779704E+04 -0.30402E-03 -0.27120E-04 2920 0.396E-02 0.435E-02 DAV: 10 -0.354800794152E+04 -0.14447E-03 -0.26329E-04 3088 0.327E-02 0.333E-02 DAV: 11 -0.354800818724E+04 -0.24572E-03 -0.41178E-04 3688 0.687E-02 0.254E-02 DAV: 12 -0.354800848377E+04 -0.29653E-03 -0.89728E-04 2976 0.662E-02 0.448E-02 DAV: 13 -0.354800845140E+04 0.32367E-04 -0.67041E-04 2600 0.299E-02 0.609E-02 DAV: 14 -0.354800845621E+04 -0.48097E-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 -0.354808231601E+04 -0.73865E-01 -0.28945E+02 2336 0.183E+01 0.373E+00 DAV: 2 -0.354872638866E+04 -0.64407E+00 -0.77741E+00 2744 0.272E+00 0.224E+00 DAV: 3 -0.354869407184E+04 0.32317E-01 -0.17602E-01 2792 0.532E-01 0.146E+00 DAV: 4 -0.354868615519E+04 0.79166E-02 -0.18802E-01 2864 0.643E-01 0.715E-01 DAV: 5 -0.354868226354E+04 0.38916E-02 -0.94009E-02 2672 0.286E-01 0.407E-01 DAV: 6 -0.354868099031E+04 0.12732E-02 -0.10928E-02 2728 0.149E-01 0.210E-01 DAV: 7 -0.354868052649E+04 0.46382E-03 -0.55357E-03 2768 0.973E-02 0.910E-02 DAV: 8 -0.354868042084E+04 0.10565E-03 -0.94994E-04 2704 0.425E-02 0.564E-02 DAV: 9 -0.354868034353E+04 0.77311E-04 -0.35787E-04 2856 0.368E-02 0.265E-02 DAV: 10 -0.354868033169E+04 0.11835E-04 -0.14762E-04 2704 0.174E-02 0.185E-02 DAV: 11 -0.354868032225E+04 0.94460E-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 -0.354849248129E+04 0.18785E+00 -0.13312E+02 2336 0.124E+01 0.252E+00 DAV: 2 -0.354878354246E+04 -0.29106E+00 -0.35360E+00 2744 0.184E+00 0.152E+00 DAV: 3 -0.354877052886E+04 0.13014E-01 -0.82825E-02 2792 0.359E-01 0.984E-01 DAV: 4 -0.354876852689E+04 0.20020E-02 -0.45012E-02 2768 0.332E-01 0.416E-01 DAV: 5 -0.354876808102E+04 0.44588E-03 -0.15660E-02 2752 0.165E-01 0.227E-01 DAV: 6 -0.354876761725E+04 0.46376E-03 -0.36229E-03 2696 0.867E-02 0.125E-01 DAV: 7 -0.354876754985E+04 0.67403E-04 -0.21527E-03 2728 0.571E-02 0.564E-02 DAV: 8 -0.354876752916E+04 0.20691E-04 -0.20801E-04 2808 0.207E-02 0.326E-02 DAV: 9 -0.354876753086E+04 -0.17024E-05 -0.16310E-04 2600 0.188E-02 0.186E-02 DAV: 10 -0.354876753090E+04 -0.33688E-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 -0.354887614829E+04 -0.10862E+00 -0.20888E+02 2336 0.155E+01 0.313E+00 DAV: 2 -0.354932514885E+04 -0.44900E+00 -0.54215E+00 2688 0.227E+00 0.190E+00 DAV: 3 -0.354930549078E+04 0.19658E-01 -0.12123E-01 2784 0.431E-01 0.122E+00 DAV: 4 -0.354930409225E+04 0.13985E-02 -0.72211E-02 2760 0.427E-01 0.549E-01 DAV: 5 -0.354930280263E+04 0.12896E-02 -0.26456E-02 2744 0.213E-01 0.295E-01 DAV: 6 -0.354930201677E+04 0.78586E-03 -0.58809E-03 2696 0.109E-01 0.169E-01 DAV: 7 -0.354930187301E+04 0.14376E-03 -0.39577E-03 2760 0.785E-02 0.721E-02 DAV: 8 -0.354930184003E+04 0.32979E-04 -0.38011E-04 2792 0.270E-02 0.425E-02 DAV: 9 -0.354930183587E+04 0.41655E-05 -0.27040E-04 2648 0.235E-02 0.233E-02 DAV: 10 -0.354930183450E+04 0.13699E-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 -0.354903194824E+04 0.26989E+00 -0.22403E+02 2336 0.161E+01 0.324E+00 DAV: 2 -0.354951513459E+04 -0.48319E+00 -0.58310E+00 2688 0.235E+00 0.197E+00 DAV: 3 -0.354949375942E+04 0.21375E-01 -0.13918E-01 2792 0.448E-01 0.127E+00 DAV: 4 -0.354949271921E+04 0.10402E-02 -0.88229E-02 2768 0.441E-01 0.613E-01 DAV: 5 -0.354949068670E+04 0.20325E-02 -0.31336E-02 2776 0.230E-01 0.305E-01 DAV: 6 -0.354948989744E+04 0.78926E-03 -0.67279E-03 2704 0.115E-01 0.178E-01 DAV: 7 -0.354948973176E+04 0.16568E-03 -0.45526E-03 2752 0.847E-02 0.767E-02 DAV: 8 -0.354948969850E+04 0.33265E-04 -0.56898E-04 2712 0.291E-02 0.475E-02 DAV: 9 -0.354948968966E+04 0.88387E-05 -0.33888E-04 2680 0.249E-02 0.247E-02 DAV: 10 -0.354948969151E+04 -0.18479E-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 -0.354973401826E+04 -0.24433E+00 -0.19955E+02 2336 0.152E+01 0.312E+00 DAV: 2 -0.355017730343E+04 -0.44329E+00 -0.53913E+00 2688 0.223E+00 0.190E+00 DAV: 3 -0.355015473435E+04 0.22569E-01 -0.15046E-01 2816 0.435E-01 0.123E+00 DAV: 4 -0.355015285413E+04 0.18802E-02 -0.10012E-01 2776 0.416E-01 0.651E-01 DAV: 5 -0.355015065739E+04 0.21967E-02 -0.35643E-02 2768 0.236E-01 0.295E-01 DAV: 6 -0.355015003216E+04 0.62524E-03 -0.75086E-03 2704 0.111E-01 0.181E-01 DAV: 7 -0.355014983765E+04 0.19451E-03 -0.45452E-03 2736 0.837E-02 0.808E-02 DAV: 8 -0.355014979761E+04 0.40041E-04 -0.80012E-04 2704 0.297E-02 0.510E-02 DAV: 9 -0.355014978982E+04 0.77876E-05 -0.29727E-04 2672 0.239E-02 0.232E-02 DAV: 10 -0.355014980457E+04 -0.14753E-04 -0.86987E-05 2728 0.118E-02 0.200E-02 DAV: 11 -0.355014980867E+04 -0.40984E-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 -0.354998452555E+04 0.16528E+00 -0.16870E+02 2336 0.139E+01 0.286E+00 DAV: 2 -0.355035783827E+04 -0.37331E+00 -0.45335E+00 2672 0.205E+00 0.174E+00 DAV: 3 -0.355033908507E+04 0.18753E-01 -0.14008E-01 2816 0.402E-01 0.113E+00 DAV: 4 -0.355033782036E+04 0.12647E-02 -0.10476E-01 2832 0.380E-01 0.641E-01 DAV: 5 -0.355033543825E+04 0.23821E-02 -0.33826E-02 2744 0.225E-01 0.270E-01 DAV: 6 -0.355033498699E+04 0.45126E-03 -0.71199E-03 2680 0.104E-01 0.173E-01 DAV: 7 -0.355033480567E+04 0.18131E-03 -0.39487E-03 2744 0.771E-02 0.777E-02 DAV: 8 -0.355033477072E+04 0.34956E-04 -0.84409E-04 2696 0.277E-02 0.480E-02 DAV: 9 -0.355033476646E+04 0.42594E-05 -0.19275E-04 2688 0.207E-02 0.209E-02 DAV: 10 -0.355033478620E+04 -0.19747E-04 -0.86752E-05 2712 0.125E-02 0.181E-02 DAV: 11 -0.355033479314E+04 -0.69308E-05 -0.19358E-05 1952 0.792E-03 75 F= -.35503348E+04 E0= -.35503554E+04 d E =-.845102E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355054739577E+04 -0.21261E+00 -0.20352E+02 2336 0.153E+01 0.314E+00 DAV: 2 -0.355099601226E+04 -0.44862E+00 -0.54469E+00 2704 0.226E+00 0.192E+00 DAV: 3 -0.355097584648E+04 0.20166E-01 -0.18650E-01 2824 0.445E-01 0.125E+00 DAV: 4 -0.355097508773E+04 0.75875E-03 -0.14736E-01 2856 0.413E-01 0.757E-01 DAV: 5 -0.355097227558E+04 0.28122E-02 -0.65954E-02 2752 0.257E-01 0.309E-01 DAV: 6 -0.355097166931E+04 0.60626E-03 -0.10030E-02 2688 0.118E-01 0.201E-01 DAV: 7 -0.355097138980E+04 0.27952E-03 -0.51491E-03 2776 0.890E-02 0.907E-02 DAV: 8 -0.355097131961E+04 0.70185E-04 -0.13609E-03 2728 0.354E-02 0.551E-02 DAV: 9 -0.355097127760E+04 0.42016E-04 -0.23000E-04 2696 0.234E-02 0.255E-02 DAV: 10 -0.355097127186E+04 0.57331E-05 -0.15297E-04 2728 0.193E-02 0.225E-02 DAV: 11 -0.355097125849E+04 0.13376E-04 -0.47488E-05 2616 0.123E-02 0.108E-02 DAV: 12 -0.355097124854E+04 0.99473E-05 -0.15381E-05 1864 0.918E-03 76 F= -.35509712E+04 E0= -.35509940E+04 d E =-.636455E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355051820188E+04 0.45306E+00 -0.35586E+02 2336 0.203E+01 0.417E+00 DAV: 2 -0.355131617398E+04 -0.79797E+00 -0.96575E+00 2720 0.300E+00 0.255E+00 DAV: 3 -0.355128056199E+04 0.35612E-01 -0.30337E-01 2832 0.584E-01 0.166E+00 DAV: 4 -0.355127988012E+04 0.68187E-03 -0.26305E-01 2856 0.552E-01 0.995E-01 DAV: 5 -0.355127485635E+04 0.50238E-02 -0.14342E-01 2824 0.330E-01 0.439E-01 DAV: 6 -0.355127342029E+04 0.14361E-02 -0.23104E-02 2728 0.158E-01 0.283E-01 DAV: 7 -0.355127282859E+04 0.59170E-03 -0.92436E-03 2752 0.115E-01 0.133E-01 DAV: 8 -0.355127265984E+04 0.16875E-03 -0.28830E-03 2736 0.530E-02 0.709E-02 DAV: 9 -0.355127260316E+04 0.56680E-04 -0.39348E-04 2712 0.299E-02 0.368E-02 DAV: 10 -0.355127258005E+04 0.23103E-04 -0.27601E-04 2728 0.281E-02 0.268E-02 DAV: 11 -0.355127255775E+04 0.22299E-04 -0.97716E-05 2776 0.164E-02 0.159E-02 DAV: 12 -0.355127253612E+04 0.21635E-04 -0.20185E-05 1976 0.115E-02 0.120E-02 DAV: 13 -0.355127252282E+04 0.13301E-04 -0.26779E-05 2224 0.823E-03 0.123E-02 DAV: 14 -0.355127252235E+04 0.46450E-06 -0.86546E-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 -0.355130616103E+04 -0.33638E-01 -0.29334E+02 2336 0.184E+01 0.380E+00 DAV: 2 -0.355195095160E+04 -0.64479E+00 -0.78936E+00 2720 0.272E+00 0.235E+00 DAV: 3 -0.355191839343E+04 0.32558E-01 -0.25900E-01 2800 0.537E-01 0.152E+00 DAV: 4 -0.355191632268E+04 0.20707E-02 -0.21526E-01 2824 0.504E-01 0.871E-01 DAV: 5 -0.355191209911E+04 0.42236E-02 -0.12363E-01 2824 0.287E-01 0.404E-01 DAV: 6 -0.355191075186E+04 0.13473E-02 -0.16274E-02 2784 0.145E-01 0.252E-01 DAV: 7 -0.355191020424E+04 0.54762E-03 -0.87986E-03 2760 0.106E-01 0.127E-01 DAV: 8 -0.355190993511E+04 0.26912E-03 -0.23674E-03 2744 0.562E-02 0.669E-02 DAV: 9 -0.355190978979E+04 0.14533E-03 -0.40609E-04 2896 0.385E-02 0.367E-02 DAV: 10 -0.355190971235E+04 0.77435E-04 -0.35771E-04 2872 0.369E-02 0.275E-02 DAV: 11 -0.355190968435E+04 0.28007E-04 -0.20303E-04 2816 0.224E-02 0.151E-02 DAV: 12 -0.355190967094E+04 0.13411E-04 -0.36953E-05 2240 0.105E-02 0.977E-03 DAV: 13 -0.355190966117E+04 0.97630E-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 -0.355187155520E+04 0.38116E-01 -0.47087E+01 2336 0.737E+00 0.151E+00 DAV: 2 -0.355197300260E+04 -0.10145E+00 -0.12471E+00 2712 0.108E+00 0.949E-01 DAV: 3 -0.355196796444E+04 0.50382E-02 -0.49454E-02 2792 0.223E-01 0.624E-01 DAV: 4 -0.355196757780E+04 0.38663E-03 -0.41146E-02 2856 0.194E-01 0.404E-01 DAV: 5 -0.355196652986E+04 0.10479E-02 -0.24231E-02 2736 0.128E-01 0.143E-01 DAV: 6 -0.355196645561E+04 0.74251E-04 -0.19804E-03 2640 0.575E-02 0.897E-02 DAV: 7 -0.355196640152E+04 0.54092E-04 -0.12450E-03 2752 0.454E-02 0.388E-02 DAV: 8 -0.355196639221E+04 0.93119E-05 -0.14203E-04 2712 0.158E-02 0.221E-02 DAV: 9 -0.355196639132E+04 0.88570E-06 -0.70869E-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 -0.355211202694E+04 -0.14563E+00 -0.19520E+02 2336 0.150E+01 0.313E+00 DAV: 2 -0.355253544082E+04 -0.42341E+00 -0.52621E+00 2744 0.222E+00 0.191E+00 DAV: 3 -0.355251381500E+04 0.21626E-01 -0.19909E-01 2784 0.453E-01 0.125E+00 DAV: 4 -0.355251357323E+04 0.24176E-03 -0.18638E-01 2824 0.394E-01 0.744E-01 DAV: 5 -0.355250883890E+04 0.47343E-02 -0.58428E-02 2712 0.251E-01 0.287E-01 DAV: 6 -0.355250846918E+04 0.36972E-03 -0.85415E-03 2704 0.120E-01 0.185E-01 DAV: 7 -0.355250827539E+04 0.19379E-03 -0.48430E-03 2776 0.828E-02 0.874E-02 DAV: 8 -0.355250821942E+04 0.55971E-04 -0.96767E-04 2776 0.299E-02 0.542E-02 DAV: 9 -0.355250820359E+04 0.15830E-04 -0.31622E-04 2704 0.233E-02 0.287E-02 DAV: 10 -0.355250821159E+04 -0.79960E-05 -0.16387E-04 2688 0.148E-02 0.191E-02 DAV: 11 -0.355250821515E+04 -0.35591E-05 -0.24451E-05 2096 0.667E-03 80 F= -.35525082E+04 E0= -.35525351E+04 d E =-.541824E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355243410656E+04 0.74105E-01 -0.85643E+01 2336 0.992E+00 0.206E+00 DAV: 2 -0.355261811901E+04 -0.18401E+00 -0.22775E+00 2728 0.146E+00 0.125E+00 DAV: 3 -0.355260906559E+04 0.90534E-02 -0.84934E-02 2800 0.299E-01 0.823E-01 DAV: 4 -0.355260927183E+04 -0.20623E-03 -0.89193E-02 2848 0.262E-01 0.527E-01 DAV: 5 -0.355260673604E+04 0.25358E-02 -0.36006E-02 2768 0.177E-01 0.191E-01 DAV: 6 -0.355260665839E+04 0.77646E-04 -0.41865E-03 2648 0.799E-02 0.131E-01 DAV: 7 -0.355260653313E+04 0.12526E-03 -0.20938E-03 2800 0.563E-02 0.592E-02 DAV: 8 -0.355260651492E+04 0.18209E-04 -0.35838E-04 2712 0.209E-02 0.350E-02 DAV: 9 -0.355260651456E+04 0.35879E-06 -0.96765E-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 -0.355277208447E+04 -0.16557E+00 -0.18117E+02 2336 0.144E+01 0.297E+00 DAV: 2 -0.355316287188E+04 -0.39079E+00 -0.47464E+00 2736 0.212E+00 0.180E+00 DAV: 3 -0.355314547462E+04 0.17397E-01 -0.10685E-01 2776 0.389E-01 0.116E+00 DAV: 4 -0.355314458481E+04 0.88982E-03 -0.95282E-02 2760 0.417E-01 0.516E-01 DAV: 5 -0.355314370454E+04 0.88026E-03 -0.52269E-02 2808 0.197E-01 0.316E-01 DAV: 6 -0.355314273423E+04 0.97032E-03 -0.79678E-03 2712 0.106E-01 0.172E-01 DAV: 7 -0.355314260582E+04 0.12840E-03 -0.47773E-03 2784 0.802E-02 0.870E-02 DAV: 8 -0.355314255223E+04 0.53594E-04 -0.11377E-03 2768 0.304E-02 0.538E-02 DAV: 9 -0.355314251790E+04 0.34329E-04 -0.23398E-04 2648 0.210E-02 0.259E-02 DAV: 10 -0.355314251914E+04 -0.12357E-05 -0.14056E-04 2680 0.164E-02 0.185E-02 DAV: 11 -0.355314251481E+04 0.43263E-05 -0.25045E-05 2080 0.834E-03 82 F= -.35531425E+04 E0= -.35531706E+04 d E =-.536000E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355295183496E+04 0.19068E+00 -0.18121E+02 2336 0.144E+01 0.296E+00 DAV: 2 -0.355334297842E+04 -0.39114E+00 -0.47441E+00 2704 0.212E+00 0.180E+00 DAV: 3 -0.355332529293E+04 0.17685E-01 -0.10796E-01 2776 0.389E-01 0.116E+00 DAV: 4 -0.355332516880E+04 0.12413E-03 -0.10465E-01 2784 0.420E-01 0.540E-01 DAV: 5 -0.355332352472E+04 0.16441E-02 -0.62337E-02 2760 0.208E-01 0.324E-01 DAV: 6 -0.355332252141E+04 0.10033E-02 -0.90201E-03 2672 0.108E-01 0.182E-01 DAV: 7 -0.355332236559E+04 0.15582E-03 -0.51684E-03 2776 0.840E-02 0.933E-02 DAV: 8 -0.355332230237E+04 0.63219E-04 -0.10504E-03 2848 0.312E-02 0.543E-02 DAV: 9 -0.355332227267E+04 0.29696E-04 -0.19871E-04 2680 0.213E-02 0.249E-02 DAV: 10 -0.355332227856E+04 -0.58935E-05 -0.14178E-04 2696 0.155E-02 0.189E-02 DAV: 11 -0.355332227492E+04 0.36487E-05 -0.20756E-05 1984 0.770E-03 83 F= -.35533223E+04 E0= -.35533510E+04 d E =-.715760E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355341723546E+04 -0.94957E-01 -0.24635E+02 2336 0.168E+01 0.344E+00 DAV: 2 -0.355394964843E+04 -0.53241E+00 -0.65197E+00 2704 0.246E+00 0.214E+00 DAV: 3 -0.355392413949E+04 0.25509E-01 -0.28198E-01 2824 0.514E-01 0.142E+00 DAV: 4 -0.355392428299E+04 -0.14349E-03 -0.27685E-01 2816 0.458E-01 0.953E-01 DAV: 5 -0.355391639047E+04 0.78925E-02 -0.10206E-01 2760 0.329E-01 0.355E-01 DAV: 6 -0.355391581168E+04 0.57880E-03 -0.14781E-02 2672 0.142E-01 0.251E-01 DAV: 7 -0.355391519000E+04 0.62167E-03 -0.58640E-03 2736 0.999E-02 0.103E-01 DAV: 8 -0.355391512530E+04 0.64703E-04 -0.12058E-03 2760 0.394E-02 0.531E-02 DAV: 9 -0.355391510947E+04 0.15825E-04 -0.18978E-04 2688 0.196E-02 0.275E-02 DAV: 10 -0.355391511085E+04 -0.13807E-05 -0.13499E-04 2696 0.172E-02 0.176E-02 DAV: 11 -0.355391510862E+04 0.22361E-05 -0.26560E-05 2056 0.796E-03 84 F= -.35539151E+04 E0= -.35539443E+04 d E =-.592834E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355376448098E+04 0.15063E+00 -0.13952E+02 2336 0.126E+01 0.257E+00 DAV: 2 -0.355406331188E+04 -0.29883E+00 -0.36651E+00 2688 0.185E+00 0.162E+00 DAV: 3 -0.355404940910E+04 0.13903E-01 -0.18092E-01 2816 0.391E-01 0.109E+00 DAV: 4 -0.355404872438E+04 0.68472E-03 -0.17614E-01 2832 0.340E-01 0.760E-01 DAV: 5 -0.355404382220E+04 0.49022E-02 -0.68242E-02 2728 0.256E-01 0.241E-01 DAV: 6 -0.355404369988E+04 0.12233E-03 -0.75251E-03 2632 0.108E-01 0.170E-01 DAV: 7 -0.355404343720E+04 0.26267E-03 -0.31610E-03 2728 0.744E-02 0.687E-02 DAV: 8 -0.355404340982E+04 0.27386E-04 -0.48641E-04 2720 0.264E-02 0.403E-02 DAV: 9 -0.355404339632E+04 0.13496E-04 -0.11368E-04 2648 0.166E-02 0.185E-02 DAV: 10 -0.355404340086E+04 -0.45387E-05 -0.63408E-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 -0.355405430063E+04 -0.10904E-01 -0.26091E+02 2336 0.172E+01 0.358E+00 DAV: 2 -0.355462041203E+04 -0.56611E+00 -0.68505E+00 2696 0.251E+00 0.212E+00 DAV: 3 -0.355459399515E+04 0.26417E-01 -0.14581E-01 2768 0.461E-01 0.136E+00 DAV: 4 -0.355459822606E+04 -0.42309E-02 -0.19040E-01 2768 0.512E-01 0.741E-01 DAV: 5 -0.355459182371E+04 0.64024E-02 -0.11499E-01 2768 0.265E-01 0.401E-01 DAV: 6 -0.355459032652E+04 0.14972E-02 -0.94533E-03 2592 0.131E-01 0.210E-01 DAV: 7 -0.355459007097E+04 0.25555E-03 -0.57982E-03 2728 0.944E-02 0.808E-02 DAV: 8 -0.355459004253E+04 0.28445E-04 -0.53531E-04 2736 0.300E-02 0.471E-02 DAV: 9 -0.355459003259E+04 0.99370E-05 -0.27765E-04 2680 0.245E-02 0.222E-02 DAV: 10 -0.355459003690E+04 -0.43054E-05 -0.60589E-05 2624 0.996E-03 86 F= -.35545900E+04 E0= -.35546190E+04 d E =-.546636E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355435327442E+04 0.23676E+00 -0.18357E+02 2336 0.145E+01 0.298E+00 DAV: 2 -0.355474727634E+04 -0.39400E+00 -0.47600E+00 2696 0.209E+00 0.177E+00 DAV: 3 -0.355472907651E+04 0.18200E-01 -0.97619E-02 2768 0.382E-01 0.113E+00 DAV: 4 -0.355473153861E+04 -0.24621E-02 -0.13053E-01 2784 0.420E-01 0.596E-01 DAV: 5 -0.355472756304E+04 0.39756E-02 -0.81142E-02 2776 0.217E-01 0.329E-01 DAV: 6 -0.355472652036E+04 0.10427E-02 -0.58837E-03 2664 0.110E-01 0.173E-01 DAV: 7 -0.355472630561E+04 0.21475E-03 -0.38723E-03 2744 0.799E-02 0.689E-02 DAV: 8 -0.355472625138E+04 0.54230E-04 -0.44290E-04 2800 0.315E-02 0.428E-02 DAV: 9 -0.355472619242E+04 0.58953E-04 -0.20157E-04 2792 0.288E-02 0.223E-02 DAV: 10 -0.355472616085E+04 0.31572E-04 -0.11856E-04 2936 0.219E-02 0.179E-02 DAV: 11 -0.355472612461E+04 0.36241E-04 -0.35995E-05 2424 0.208E-02 0.126E-02 DAV: 12 -0.355472606700E+04 0.57614E-04 -0.80906E-05 2632 0.318E-02 0.126E-02 DAV: 13 -0.355472601077E+04 0.56232E-04 -0.19862E-04 2928 0.381E-02 0.115E-02 DAV: 14 -0.355472598503E+04 0.25734E-04 -0.23018E-04 2968 0.373E-02 0.852E-03 DAV: 15 -0.355472600270E+04 -0.17672E-04 -0.21864E-04 2632 0.152E-02 0.133E-02 DAV: 16 -0.355472600292E+04 -0.21749E-06 -0.46706E-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 -0.355467502836E+04 0.50974E-01 -0.32571E+02 2336 0.193E+01 0.401E+00 DAV: 2 -0.355537173668E+04 -0.69671E+00 -0.85633E+00 2624 0.282E+00 0.245E+00 DAV: 3 -0.355533804432E+04 0.33692E-01 -0.25367E-01 2776 0.556E-01 0.160E+00 DAV: 4 -0.355534180423E+04 -0.37599E-02 -0.27401E-01 2848 0.547E-01 0.888E-01 DAV: 5 -0.355533198690E+04 0.98173E-02 -0.45033E-02 2752 0.298E-01 0.397E-01 DAV: 6 -0.355533052252E+04 0.14644E-02 -0.14346E-02 2736 0.164E-01 0.211E-01 DAV: 7 -0.355533029765E+04 0.22487E-03 -0.66509E-03 2752 0.101E-01 0.100E-01 DAV: 8 -0.355533014777E+04 0.14988E-03 -0.11484E-03 2832 0.472E-02 0.694E-02 DAV: 9 -0.355532995636E+04 0.19141E-03 -0.62154E-04 2928 0.449E-02 0.346E-02 DAV: 10 -0.355532986780E+04 0.88563E-04 -0.31459E-04 2816 0.321E-02 0.340E-02 DAV: 11 -0.355532977771E+04 0.90086E-04 -0.15737E-04 2856 0.275E-02 0.208E-02 DAV: 12 -0.355532963645E+04 0.14126E-03 -0.16186E-04 3176 0.429E-02 0.188E-02 DAV: 13 -0.355532951826E+04 0.11819E-03 -0.43715E-04 3128 0.545E-02 0.190E-02 DAV: 14 -0.355532954583E+04 -0.27564E-04 -0.44642E-04 2600 0.213E-02 0.188E-02 DAV: 15 -0.355532953784E+04 0.79897E-05 -0.18012E-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 -0.355518116324E+04 0.14838E+00 -0.12936E+02 2336 0.121E+01 0.249E+00 DAV: 2 -0.355545110126E+04 -0.26994E+00 -0.33199E+00 2648 0.176E+00 0.153E+00 DAV: 3 -0.355543869603E+04 0.12405E-01 -0.11503E-01 2792 0.354E-01 0.101E+00 DAV: 4 -0.355544142529E+04 -0.27293E-02 -0.13048E-01 2872 0.338E-01 0.677E-01 DAV: 5 -0.355543581798E+04 0.56073E-02 -0.29620E-02 2760 0.220E-01 0.235E-01 DAV: 6 -0.355543564726E+04 0.17072E-03 -0.56952E-03 2688 0.979E-02 0.144E-01 DAV: 7 -0.355543551956E+04 0.12770E-03 -0.28606E-03 2752 0.676E-02 0.604E-02 DAV: 8 -0.355543549952E+04 0.20044E-04 -0.34610E-04 2896 0.232E-02 0.348E-02 DAV: 9 -0.355543549547E+04 0.40471E-05 -0.14750E-04 2632 0.167E-02 0.188E-02 DAV: 10 -0.355543549547E+04 -0.33469E-09 -0.29064E-05 2080 0.663E-03 89 F= -.35554355E+04 E0= -.35554659E+04 d E =-.709493E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355535942004E+04 0.76075E-01 -0.33866E+02 2336 0.196E+01 0.411E+00 DAV: 2 -0.355606931991E+04 -0.70990E+00 -0.87400E+00 2664 0.286E+00 0.251E+00 DAV: 3 -0.355603407921E+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 -0.355602935495E+04 0.50690E-02 -0.90733E-02 2736 0.269E-01 0.424E-01 DAV: 6 -0.355602766124E+04 0.16937E-02 -0.14734E-02 2640 0.152E-01 0.223E-01 DAV: 7 -0.355602739481E+04 0.26643E-03 -0.74716E-03 2768 0.102E-01 0.977E-02 DAV: 8 -0.355602735267E+04 0.42142E-04 -0.11110E-03 2736 0.338E-02 0.628E-02 DAV: 9 -0.355602731510E+04 0.37572E-04 -0.34328E-04 2704 0.265E-02 0.246E-02 DAV: 10 -0.355602731926E+04 -0.41605E-05 -0.10485E-04 2656 0.128E-02 0.191E-02 DAV: 11 -0.355602731575E+04 0.35120E-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 -0.355592897112E+04 0.98348E-01 -0.91452E+01 2336 0.102E+01 0.210E+00 DAV: 2 -0.355611608146E+04 -0.18711E+00 -0.23071E+00 2672 0.147E+00 0.130E+00 DAV: 3 -0.355610704708E+04 0.90344E-02 -0.53744E-02 2760 0.274E-01 0.828E-01 DAV: 4 -0.355610688813E+04 0.15895E-03 -0.54711E-02 2776 0.292E-01 0.370E-01 DAV: 5 -0.355610585728E+04 0.10309E-02 -0.28239E-02 2776 0.136E-01 0.216E-01 DAV: 6 -0.355610537891E+04 0.47837E-03 -0.39105E-03 2688 0.774E-02 0.110E-01 DAV: 7 -0.355610532564E+04 0.53273E-04 -0.18120E-03 2736 0.514E-02 0.494E-02 DAV: 8 -0.355610531783E+04 0.78079E-05 -0.29570E-04 2712 0.179E-02 0.344E-02 DAV: 9 -0.355610530596E+04 0.11875E-04 -0.11300E-04 2584 0.131E-02 0.151E-02 DAV: 10 -0.355610530682E+04 -0.86580E-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 -0.355601412641E+04 0.91180E-01 -0.33983E+02 2336 0.196E+01 0.416E+00 DAV: 2 -0.355673096398E+04 -0.71684E+00 -0.88672E+00 2696 0.286E+00 0.249E+00 DAV: 3 -0.355669643299E+04 0.34531E-01 -0.24577E-01 2800 0.549E-01 0.161E+00 DAV: 4 -0.355669712705E+04 -0.69406E-03 -0.18109E-01 2760 0.534E-01 0.926E-01 DAV: 5 -0.355669313077E+04 0.39963E-02 -0.12918E-01 2744 0.291E-01 0.439E-01 DAV: 6 -0.355669110382E+04 0.20269E-02 -0.15994E-02 2784 0.149E-01 0.256E-01 DAV: 7 -0.355669067127E+04 0.43255E-03 -0.92497E-03 2744 0.109E-01 0.113E-01 DAV: 8 -0.355669057667E+04 0.94598E-04 -0.25927E-03 2728 0.424E-02 0.719E-02 DAV: 9 -0.355669054334E+04 0.33326E-04 -0.59105E-04 2680 0.235E-02 0.352E-02 DAV: 10 -0.355669054553E+04 -0.21932E-05 -0.16417E-04 2696 0.169E-02 0.228E-02 DAV: 11 -0.355669054543E+04 0.10632E-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 -0.355636909251E+04 0.32145E+00 -0.23922E+02 2336 0.165E+01 0.347E+00 DAV: 2 -0.355686750787E+04 -0.49842E+00 -0.61638E+00 2704 0.239E+00 0.207E+00 DAV: 3 -0.355684354198E+04 0.23966E-01 -0.16586E-01 2792 0.457E-01 0.134E+00 DAV: 4 -0.355684554171E+04 -0.19997E-02 -0.13303E-01 2800 0.444E-01 0.909E-01 DAV: 5 -0.355684239207E+04 0.31496E-02 -0.15469E-01 2816 0.253E-01 0.423E-01 DAV: 6 -0.355684049394E+04 0.18981E-02 -0.14215E-02 2776 0.127E-01 0.268E-01 DAV: 7 -0.355683975135E+04 0.74260E-03 -0.87660E-03 2744 0.104E-01 0.102E-01 DAV: 8 -0.355683971021E+04 0.41135E-04 -0.23363E-03 2656 0.417E-02 0.643E-02 DAV: 9 -0.355683969385E+04 0.16359E-04 -0.36776E-04 2680 0.195E-02 0.296E-02 DAV: 10 -0.355683970161E+04 -0.77565E-05 -0.11856E-04 2688 0.146E-02 0.203E-02 DAV: 11 -0.355683970468E+04 -0.30695E-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 -0.355668533288E+04 0.15437E+00 -0.35352E+02 2336 0.200E+01 0.420E+00 DAV: 2 -0.355744262258E+04 -0.75729E+00 -0.92471E+00 2664 0.291E+00 0.258E+00 DAV: 3 -0.355740434112E+04 0.38281E-01 -0.26484E-01 2816 0.565E-01 0.167E+00 DAV: 4 -0.355740282166E+04 0.15195E-02 -0.14470E-01 2824 0.541E-01 0.106E+00 DAV: 5 -0.355740141519E+04 0.14065E-02 -0.22567E-01 2824 0.296E-01 0.496E-01 DAV: 6 -0.355739849763E+04 0.29176E-02 -0.13816E-02 2768 0.154E-01 0.313E-01 DAV: 7 -0.355739724703E+04 0.12506E-02 -0.12786E-02 2744 0.126E-01 0.117E-01 DAV: 8 -0.355739718046E+04 0.66567E-04 -0.34071E-03 2720 0.517E-02 0.800E-02 DAV: 9 -0.355739711144E+04 0.69025E-04 -0.60283E-04 2648 0.266E-02 0.375E-02 DAV: 10 -0.355739708155E+04 0.29888E-04 -0.16032E-04 2688 0.232E-02 0.224E-02 DAV: 11 -0.355739707476E+04 0.67920E-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 -0.355722476415E+04 0.17232E+00 -0.13280E+02 2336 0.123E+01 0.255E+00 DAV: 2 -0.355750290710E+04 -0.27814E+00 -0.34016E+00 2656 0.177E+00 0.156E+00 DAV: 3 -0.355748943165E+04 0.13475E-01 -0.96145E-02 2792 0.343E-01 0.101E+00 DAV: 4 -0.355749069486E+04 -0.12632E-02 -0.51929E-02 2840 0.332E-01 0.764E-01 DAV: 5 -0.355748851714E+04 0.21777E-02 -0.10366E-01 2840 0.198E-01 0.335E-01 DAV: 6 -0.355748746154E+04 0.10556E-02 -0.60244E-03 2736 0.966E-02 0.208E-01 DAV: 7 -0.355748699364E+04 0.46790E-03 -0.48091E-03 2744 0.793E-02 0.778E-02 DAV: 8 -0.355748696580E+04 0.27836E-04 -0.12458E-03 2696 0.326E-02 0.486E-02 DAV: 9 -0.355748694658E+04 0.19216E-04 -0.16065E-04 2656 0.153E-02 0.232E-02 DAV: 10 -0.355748694476E+04 0.18240E-05 -0.77354E-05 2560 0.131E-02 95 F= -.35574869E+04 E0= -.35575170E+04 d E =-.647240E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355746872489E+04 0.18222E-01 -0.25773E+02 2336 0.171E+01 0.356E+00 DAV: 2 -0.355801203429E+04 -0.54331E+00 -0.66415E+00 2656 0.246E+00 0.219E+00 DAV: 3 -0.355798365679E+04 0.28378E-01 -0.18401E-01 2776 0.481E-01 0.141E+00 DAV: 4 -0.355798554392E+04 -0.18871E-02 -0.13375E-01 2808 0.476E-01 0.946E-01 DAV: 5 -0.355798225223E+04 0.32917E-02 -0.17491E-01 2824 0.257E-01 0.465E-01 DAV: 6 -0.355797970698E+04 0.25453E-02 -0.15239E-02 2792 0.134E-01 0.285E-01 DAV: 7 -0.355797886410E+04 0.84288E-03 -0.96213E-03 2736 0.113E-01 0.107E-01 DAV: 8 -0.355797879677E+04 0.67325E-04 -0.19595E-03 2664 0.447E-02 0.669E-02 DAV: 9 -0.355797876375E+04 0.33021E-04 -0.37274E-04 2696 0.222E-02 0.298E-02 DAV: 10 -0.355797876020E+04 0.35544E-05 -0.12560E-04 2672 0.152E-02 0.192E-02 DAV: 11 -0.355797875829E+04 0.19082E-05 -0.28166E-05 2112 0.742E-03 96 F= -.35579788E+04 E0= -.35580091E+04 d E =-.491814E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355781422863E+04 0.16453E+00 -0.13949E+02 2336 0.126E+01 0.260E+00 DAV: 2 -0.355810476460E+04 -0.29054E+00 -0.35486E+00 2664 0.180E+00 0.161E+00 DAV: 3 -0.355808970440E+04 0.15060E-01 -0.98944E-02 2776 0.351E-01 0.104E+00 DAV: 4 -0.355809161129E+04 -0.19069E-02 -0.78994E-02 2840 0.348E-01 0.756E-01 DAV: 5 -0.355808874761E+04 0.28637E-02 -0.10077E-01 2848 0.196E-01 0.353E-01 DAV: 6 -0.355808741910E+04 0.13285E-02 -0.61068E-03 2776 0.997E-02 0.210E-01 DAV: 7 -0.355808698208E+04 0.43703E-03 -0.48446E-03 2736 0.823E-02 0.789E-02 DAV: 8 -0.355808695043E+04 0.31644E-04 -0.91905E-04 2656 0.327E-02 0.476E-02 DAV: 9 -0.355808693451E+04 0.15924E-04 -0.17486E-04 2704 0.162E-02 0.211E-02 DAV: 10 -0.355808693551E+04 -0.10074E-05 -0.68963E-05 2520 0.116E-02 97 F= -.35580869E+04 E0= -.35581174E+04 d E =-.599991E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.355801245813E+04 0.74476E-01 -0.27446E+02 2336 0.175E+01 0.373E+00 DAV: 2 -0.355859077632E+04 -0.57832E+00 -0.71155E+00 2664 0.253E+00 0.224E+00 DAV: 3 -0.355856142745E+04 0.29349E-01 -0.17806E-01 2776 0.482E-01 0.144E+00 DAV: 4 -0.355856794847E+04 -0.65210E-02 -0.14218E-01 2832 0.495E-01 0.124E+00 DAV: 5 -0.355856090826E+04 0.70402E-02 -0.28001E-01 2904 0.272E-01 0.541E-01 DAV: 6 -0.355855825005E+04 0.26582E-02 -0.16291E-02 2768 0.146E-01 0.342E-01 DAV: 7 -0.355855702210E+04 0.12279E-02 -0.11514E-02 2728 0.122E-01 0.129E-01 DAV: 8 -0.355855688273E+04 0.13937E-03 -0.23124E-03 2688 0.510E-02 0.712E-02 DAV: 9 -0.355855686633E+04 0.16401E-04 -0.49555E-04 2680 0.237E-02 0.328E-02 DAV: 10 -0.355855686536E+04 0.96814E-06 -0.13402E-04 2664 0.148E-02 0.211E-02 DAV: 11 -0.355855686601E+04 -0.64779E-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 -0.355841576800E+04 0.14110E+00 -0.11483E+02 2336 0.114E+01 0.238E+00 DAV: 2 -0.355865257208E+04 -0.23680E+00 -0.29102E+00 2664 0.162E+00 0.143E+00 DAV: 3 -0.355864095960E+04 0.11612E-01 -0.73126E-02 2768 0.306E-01 0.918E-01 DAV: 4 -0.355864570991E+04 -0.47503E-02 -0.66997E-02 2848 0.316E-01 0.942E-01 DAV: 5 -0.355864047759E+04 0.52323E-02 -0.13176E-01 2928 0.184E-01 0.365E-01 DAV: 6 -0.355863969644E+04 0.78115E-03 -0.47485E-03 2728 0.940E-02 0.217E-01 DAV: 7 -0.355863925062E+04 0.44582E-03 -0.48509E-03 2704 0.770E-02 0.776E-02 DAV: 8 -0.355863922257E+04 0.28058E-04 -0.83683E-04 2656 0.309E-02 0.439E-02 DAV: 9 -0.355863921933E+04 0.32372E-05 -0.15308E-04 2696 0.144E-02 0.203E-02 DAV: 10 -0.355863922394E+04 -0.46085E-05 -0.57587E-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 -0.355856114658E+04 0.78073E-01 -0.28929E+02 2336 0.180E+01 0.383E+00 DAV: 2 -0.355915986413E+04 -0.59872E+00 -0.74230E+00 2688 0.259E+00 0.234E+00 DAV: 3 -0.355912963408E+04 0.30230E-01 -0.20342E-01 2792 0.517E-01 0.153E+00 DAV: 4 -0.355913898115E+04 -0.93471E-02 -0.11928E-01 2808 0.497E-01 0.151E+00 DAV: 5 -0.355912908472E+04 0.98964E-02 -0.45073E-01 2968 0.309E-01 0.607E-01 DAV: 6 -0.355912604779E+04 0.30369E-02 -0.20869E-02 2768 0.166E-01 0.414E-01 DAV: 7 -0.355912397582E+04 0.20720E-02 -0.12661E-02 2696 0.132E-01 0.174E-01 DAV: 8 -0.355912373070E+04 0.24512E-03 -0.42609E-03 2736 0.596E-02 0.738E-02 DAV: 9 -0.355912374793E+04 -0.17226E-04 -0.43668E-04 2688 0.256E-02 0.364E-02 DAV: 10 -0.355912374533E+04 0.25960E-05 -0.16080E-04 2664 0.162E-02 0.212E-02 DAV: 11 -0.355912374579E+04 -0.45574E-06 -0.42326E-05 2120 0.813E-03 100 F= -.35591237E+04 E0= -.35591551E+04 d E =-.484522E+00