N E dE d eps ncg rms rms(c) DAV: 1 0.646581946928E+04 0.64658E+04 -0.51868E+05 1704 0.107E+03 DAV: 2 -0.191028689529E+04 -0.83761E+04 -0.81199E+04 2070 0.272E+02 DAV: 3 -0.269766746029E+04 -0.78738E+03 -0.78291E+03 2058 0.889E+01 DAV: 4 -0.271478052425E+04 -0.17113E+02 -0.17064E+02 2067 0.141E+01 DAV: 5 -0.271525955035E+04 -0.47903E+00 -0.47853E+00 2094 0.216E+00 0.115E+02 DAV: 6 -0.244574724560E+04 0.26951E+03 -0.93436E+02 1887 0.300E+01 0.558E+01 DAV: 7 -0.243247284432E+04 0.13274E+02 -0.55326E+01 2175 0.754E+00 0.249E+01 DAV: 8 -0.242886768936E+04 0.36052E+01 -0.91012E+00 2049 0.390E+00 0.973E+00 DAV: 9 -0.242838475047E+04 0.48294E+00 -0.18957E+00 2058 0.177E+00 0.186E+00 DAV: 10 -0.242847244383E+04 -0.87693E-01 -0.27518E-01 2031 0.718E-01 0.120E+00 DAV: 11 -0.242849453864E+04 -0.22095E-01 -0.69845E-02 2094 0.411E-01 0.618E-01 DAV: 12 -0.242850495692E+04 -0.10418E-01 -0.26102E-02 1986 0.280E-01 0.258E-01 DAV: 13 -0.242850475393E+04 0.20298E-03 -0.12783E-02 2148 0.195E-01 0.166E-01 DAV: 14 -0.242850405980E+04 0.69413E-03 -0.50891E-03 2058 0.111E-01 0.103E-01 DAV: 15 -0.242850337385E+04 0.68595E-03 -0.66658E-04 2058 0.639E-02 0.549E-02 DAV: 16 -0.242850283075E+04 0.54310E-03 -0.46609E-04 2184 0.725E-02 0.309E-02 DAV: 17 -0.242850277387E+04 0.56887E-04 -0.82387E-04 2076 0.472E-02 0.284E-02 DAV: 18 -0.242850276837E+04 0.54926E-05 -0.15857E-04 2076 0.163E-02 0.253E-02 DAV: 19 -0.242850275714E+04 0.11228E-04 -0.21523E-05 1527 0.847E-03 0.144E-02 DAV: 20 -0.242850275892E+04 -0.17782E-05 -0.37712E-05 1869 0.101E-02 1 F= -.24285028E+04 E0= -.24285112E+04 d E =-.242850E+04 N E dE d eps ncg rms rms(c) DAV: 1 -0.242831297664E+04 0.18978E+00 -0.36082E+01 1716 0.732E+00 0.257E+00 DAV: 2 -0.242839221631E+04 -0.79240E-01 -0.13995E+00 2076 0.135E+00 0.119E+00 DAV: 3 -0.242836187403E+04 0.30342E-01 -0.99259E-02 2085 0.437E-01 0.708E-01 DAV: 4 -0.242834908489E+04 0.12789E-01 -0.59071E-02 2076 0.355E-01 0.387E-01 DAV: 5 -0.242834036428E+04 0.87206E-02 -0.29218E-02 2094 0.270E-01 0.364E-01 DAV: 6 -0.242834024338E+04 0.12090E-03 -0.10512E-02 1932 0.113E-01 0.402E-01 DAV: 7 -0.242834068197E+04 -0.43859E-03 -0.24826E-04 2148 0.163E-02 0.404E-01 DAV: 8 -0.242834417424E+04 -0.34923E-02 -0.19567E-03 2391 0.847E-02 0.450E-01 DAV: 9 -0.242835309894E+04 -0.89247E-02 -0.87235E-03 2337 0.220E-01 0.752E-01 DAV: 10 -0.242835846591E+04 -0.53670E-02 -0.94063E-03 2058 0.153E-01 0.897E-01 DAV: 11 -0.242835827427E+04 0.19164E-03 -0.27699E-03 1914 0.533E-02 0.849E-01 DAV: 12 -0.242835886198E+04 -0.58771E-03 -0.48836E-05 1986 0.150E-02 0.863E-01 DAV: 13 -0.242835864128E+04 0.22070E-03 -0.23349E-05 1644 0.640E-03 0.858E-01 DAV: 14 -0.242836271404E+04 -0.40728E-02 -0.62419E-04 2670 0.861E-02 0.934E-01 DAV: 15 -0.242834956088E+04 0.13153E-01 -0.56306E-03 2688 0.288E-01 0.704E-01 DAV: 16 -0.242833477084E+04 0.14790E-01 -0.15778E-02 2355 0.297E-01 0.647E-01 DAV: 17 -0.242833698440E+04 -0.22136E-02 -0.97332E-03 1914 0.914E-02 0.648E-01 DAV: 18 -0.242833804525E+04 -0.10609E-02 -0.24101E-04 2247 0.278E-02 0.641E-01 DAV: 19 -0.242834356138E+04 -0.55161E-02 -0.12876E-03 2886 0.105E-01 0.659E-01 DAV: 20 -0.242834419798E+04 -0.63660E-03 -0.12325E-03 1941 0.332E-02 0.665E-01 DAV: 21 -0.242833884917E+04 0.53488E-02 -0.10485E-03 2490 0.941E-02 0.636E-01 DAV: 22 -0.242833995734E+04 -0.11082E-02 -0.64342E-04 1968 0.300E-02 0.657E-01 DAV: 23 -0.242834015353E+04 -0.19619E-03 -0.63670E-05 2004 0.101E-02 0.650E-01 DAV: 24 -0.242833949814E+04 0.65539E-03 -0.15257E-04 2112 0.296E-02 0.607E-01 DAV: 25 -0.242834519885E+04 -0.57007E-02 -0.14903E-03 2832 0.185E-01 0.509E-01 DAV: 26 -0.242836342324E+04 -0.18224E-01 -0.13727E-02 2778 0.474E-01 0.463E-01 DAV: 27 -0.242836985115E+04 -0.64279E-02 -0.25734E-02 1986 0.161E-01 0.540E-01 DAV: 28 -0.242836930693E+04 0.54421E-03 -0.14365E-03 2004 0.390E-02 0.534E-01 DAV: 29 -0.242836913185E+04 0.17509E-03 -0.71247E-05 2004 0.120E-02 0.526E-01 DAV: 30 -0.242836802675E+04 0.11051E-02 -0.20826E-04 2283 0.270E-02 0.498E-01 DAV: 31 -0.242837208054E+04 -0.40538E-02 -0.82574E-04 2319 0.853E-02 0.499E-01 DAV: 32 -0.242836170287E+04 0.10378E-01 -0.17537E-03 2589 0.201E-01 0.462E-01 DAV: 33 -0.242834916822E+04 0.12535E-01 -0.84510E-03 2436 0.254E-01 0.441E-01 DAV: 34 -0.242834726168E+04 0.19065E-02 -0.12195E-01 2292 0.358E-01 0.686E-01 DAV: 35 -0.242835534419E+04 -0.80825E-02 -0.23414E-02 2058 0.224E-01 0.950E-01 DAV: 36 -0.242835580394E+04 -0.45975E-03 -0.59815E-03 1941 0.812E-02 0.969E-01 DAV: 37 -0.242835327772E+04 0.25262E-02 -0.13010E-04 2148 0.197E-02 0.953E-01 DAV: 38 -0.242834722660E+04 0.60511E-02 -0.69223E-04 2481 0.749E-02 0.923E-01 DAV: 39 -0.242833557161E+04 0.11655E-01 -0.30256E-03 2463 0.122E-01 0.808E-01 DAV: 40 -0.242834522851E+04 -0.96569E-02 -0.58152E-03 2427 0.148E-01 0.112E+00 DAV: 41 -0.242834464178E+04 0.58673E-03 -0.18465E-03 1941 0.443E-02 0.109E+00 DAV: 42 -0.242834208989E+04 0.25519E-02 -0.15932E-04 2031 0.253E-02 0.105E+00 DAV: 43 -0.242834195665E+04 0.13324E-03 -0.79941E-05 1932 0.111E-02 0.105E+00 DAV: 44 -0.242834229198E+04 -0.33533E-03 -0.25422E-05 1608 0.125E-02 0.107E+00 DAV: 45 -0.242833771790E+04 0.45741E-02 -0.13834E-03 2616 0.974E-02 0.852E-01 DAV: 46 -0.242833576359E+04 0.19543E-02 -0.13901E-02 2661 0.217E-01 0.435E-01 DAV: 47 -0.242834393295E+04 -0.81694E-02 -0.14592E-02 2049 0.115E-01 0.670E-01 DAV: 48 -0.242834350704E+04 0.42591E-03 -0.12717E-03 2022 0.500E-02 0.644E-01 DAV: 49 -0.242834342147E+04 0.85567E-04 -0.25379E-04 2004 0.156E-02 0.641E-01 DAV: 50 -0.242834332746E+04 0.94015E-04 -0.24756E-06 1329 0.662E-03 0.645E-01 DAV: 51 -0.242833998411E+04 0.33433E-02 -0.15861E-03 2364 0.540E-02 0.484E-01 DAV: 52 -0.242834398134E+04 -0.39972E-02 -0.39663E-02 2616 0.243E-01 0.285E-01 DAV: 53 -0.242834874875E+04 -0.47674E-02 -0.61366E-03 2076 0.126E-01 0.334E-01 DAV: 54 -0.242834826869E+04 0.48006E-03 -0.19236E-03 1914 0.452E-02 0.355E-01 DAV: 55 -0.242834779705E+04 0.47164E-03 -0.33040E-05 1761 0.121E-02 0.351E-01 DAV: 56 -0.242834730071E+04 0.49635E-03 -0.34610E-05 1770 0.138E-02 0.343E-01 DAV: 57 -0.242835641618E+04 -0.91155E-02 -0.29271E-03 2670 0.182E-01 0.443E-01 DAV: 58 -0.242835583456E+04 0.58163E-03 -0.19601E-03 1959 0.422E-02 0.468E-01 DAV: 59 -0.242835565441E+04 0.18014E-03 -0.15767E-04 2031 0.131E-02 0.468E-01 DAV: 60 -0.242835507777E+04 0.57664E-03 -0.18008E-05 1518 0.114E-02 0.459E-01 DAV: 61 -0.242835506894E+04 0.88336E-05 -0.12082E-04 1986 0.187E-02 0.442E-01 DAV: 62 -0.242835584323E+04 -0.77429E-03 -0.12169E-03 2175 0.744E-02 0.464E-01 DAV: 63 -0.242835816725E+04 -0.23240E-02 -0.67329E-04 2139 0.426E-02 0.471E-01 DAV: 64 -0.242835793231E+04 0.23494E-03 -0.18954E-04 1959 0.179E-02 0.479E-01 DAV: 65 -0.242835957716E+04 -0.16449E-02 -0.64541E-05 2067 0.278E-02 0.486E-01 DAV: 66 -0.242835858409E+04 0.99307E-03 -0.41677E-05 1959 0.160E-02 0.485E-01 DAV: 67 -0.242833939341E+04 0.19191E-01 -0.71738E-03 2814 0.402E-01 0.366E-01 DAV: 68 -0.242833826873E+04 0.11247E-02 -0.12918E-02 2022 0.130E-01 0.351E-01 DAV: 69 -0.242833436110E+04 0.39076E-02 -0.16416E-03 2256 0.100E-01 0.341E-01 DAV: 70 -0.242833205913E+04 0.23020E-02 -0.18521E-03 2049 0.697E-02 0.339E-01 DAV: 71 -0.242833304438E+04 -0.98525E-03 -0.49058E-04 2004 0.283E-02 0.340E-01 DAV: 72 -0.242834724883E+04 -0.14204E-01 -0.14947E-02 3066 0.343E-01 0.360E-01 DAV: 73 -0.242834449538E+04 0.27535E-02 -0.75307E-03 2022 0.110E-01 0.441E-01 DAV: 74 -0.242834672256E+04 -0.22272E-02 -0.72231E-04 1950 0.561E-02 0.413E-01 DAV: 75 -0.242834819914E+04 -0.14766E-02 -0.39961E-04 2049 0.446E-02 0.407E-01 DAV: 76 -0.242835084400E+04 -0.26449E-02 -0.60104E-04 2472 0.855E-02 0.377E-01 DAV: 77 -0.242835371970E+04 -0.28757E-02 -0.26433E-03 2643 0.147E-01 0.332E-01 DAV: 78 -0.242835584107E+04 -0.21214E-02 -0.36418E-03 2058 0.809E-02 0.352E-01 DAV: 79 -0.242835538613E+04 0.45494E-03 -0.51692E-04 1995 0.254E-02 0.357E-01 DAV: 80 -0.242835452853E+04 0.85760E-03 -0.62375E-05 1950 0.266E-02 0.349E-01 DAV: 81 -0.242835384722E+04 0.68131E-03 -0.24000E-04 2319 0.370E-02 0.343E-01 DAV: 82 -0.242834302067E+04 0.10827E-01 -0.34064E-03 2922 0.280E-01 0.390E-01 DAV: 83 -0.242834391633E+04 -0.89567E-03 -0.53395E-03 1932 0.560E-02 0.337E-01 DAV: 84 -0.242834171183E+04 0.22045E-02 -0.26546E-04 2373 0.477E-02 0.362E-01 DAV: 85 -0.242834072954E+04 0.98230E-03 -0.24524E-04 2076 0.240E-02 0.368E-01 DAV: 86 -0.242833943815E+04 0.12914E-02 -0.12091E-04 2148 0.295E-02 0.391E-01 DAV: 87 -0.242833127001E+04 0.81681E-02 -0.20299E-03 3003 0.156E-01 0.443E-01 DAV: 88 -0.242833173632E+04 -0.46631E-03 -0.21303E-03 1914 0.371E-02 0.407E-01 DAV: 89 -0.242833294145E+04 -0.12051E-02 -0.73592E-05 2031 0.246E-02 0.387E-01 DAV: 90 -0.242833918631E+04 -0.62449E-02 -0.17808E-03 2670 0.124E-01 0.345E-01 DAV: 91 -0.242834505731E+04 -0.58710E-02 -0.36624E-03 2238 0.145E-01 0.285E-01 DAV: 92 -0.242833285040E+04 0.12207E-01 -0.29427E-03 2661 0.287E-01 0.561E-01 DAV: 93 -0.242833156778E+04 0.12826E-02 -0.31136E-03 1995 0.610E-02 0.523E-01 DAV: 94 -0.242833129163E+04 0.27615E-03 -0.25592E-04 2265 0.238E-02 0.510E-01 DAV: 95 -0.242833133346E+04 -0.41833E-04 -0.50873E-05 1896 0.721E-03 0.510E-01 DAV: 96 -0.242833057809E+04 0.75537E-03 -0.10599E-05 1500 0.116E-02 0.522E-01 DAV: 97 -0.242833311904E+04 -0.25410E-02 0.18652E-04 2436 0.739E-02 0.438E-01 DAV: 98 -0.242833355106E+04 -0.43202E-03 -0.50948E-04 1959 0.204E-02 0.445E-01 DAV: 99 -0.242833621383E+04 -0.26628E-02 -0.33719E-04 2607 0.492E-02 0.423E-01 DAV: 100 -0.242833581102E+04 0.40280E-03 -0.71098E-04 2067 0.461E-02 0.446E-01 DAV: 101 -0.242833689030E+04 -0.10793E-02 -0.34697E-04 2436 0.432E-02 0.441E-01 DAV: 102 -0.242832990730E+04 0.69830E-02 -0.54095E-03 2625 0.150E-01 0.419E-01 DAV: 103 -0.242833016120E+04 -0.25390E-03 -0.14337E-03 1941 0.286E-02 0.404E-01 DAV: 104 -0.242833006891E+04 0.92283E-04 -0.27909E-05 1716 0.591E-03 0.407E-01 DAV: 105 -0.242833008385E+04 -0.14938E-04 -0.38008E-06 1122 0.207E-03 0.406E-01 DAV: 106 -0.242833151279E+04 -0.14289E-02 -0.23276E-04 2013 0.339E-02 0.395E-01 DAV: 107 -0.242833589999E+04 -0.43872E-02 -0.10253E-03 2904 0.115E-01 0.378E-01 DAV: 108 -0.242833903679E+04 -0.31368E-02 -0.20109E-03 2292 0.878E-02 0.407E-01 DAV: 109 -0.242834229878E+04 -0.32620E-02 -0.10713E-03 2436 0.914E-02 0.430E-01 DAV: 110 -0.242834307626E+04 -0.77748E-03 -0.12851E-03 1977 0.402E-02 0.449E-01 DAV: 111 -0.242834399532E+04 -0.91906E-03 -0.46426E-05 1833 0.212E-02 0.449E-01 DAV: 112 -0.242835077591E+04 -0.67806E-02 -0.13542E-03 2976 0.147E-01 0.447E-01 DAV: 113 -0.242835463922E+04 -0.38633E-02 -0.25860E-03 2121 0.886E-02 0.456E-01 DAV: 114 -0.242835440598E+04 0.23324E-03 -0.10697E-03 1914 0.318E-02 0.476E-01 DAV: 115 -0.242835298584E+04 0.14201E-02 -0.50785E-05 1941 0.293E-02 0.470E-01 DAV: 116 -0.242834935172E+04 0.36341E-02 -0.49410E-04 2778 0.822E-02 0.457E-01 DAV: 117 -0.242834335876E+04 0.59930E-02 -0.16035E-03 2544 0.144E-01 0.457E-01 DAV: 118 -0.242833880807E+04 0.45507E-02 -0.34249E-03 2265 0.120E-01 0.451E-01 DAV: 119 -0.242833690328E+04 0.19048E-02 -0.23850E-03 2031 0.660E-02 0.420E-01 DAV: 120 -0.242833691750E+04 -0.14223E-04 -0.19877E-04 1968 0.129E-02 0.416E-01 DAV: 121 -0.242833676081E+04 0.15669E-03 -0.42928E-06 1230 0.399E-03 0.415E-01 DAV: 122 -0.242833084306E+04 0.59178E-02 -0.90546E-04 2751 0.133E-01 0.485E-01 DAV: 123 -0.242833154167E+04 -0.69861E-03 -0.10090E-03 1941 0.263E-02 0.462E-01 DAV: 124 -0.242833129867E+04 0.24300E-03 -0.42948E-05 2013 0.746E-03 0.463E-01 DAV: 125 -0.242833155879E+04 -0.26012E-03 -0.35775E-06 1194 0.481E-03 0.461E-01 DAV: 126 -0.242833363459E+04 -0.20758E-02 -0.36957E-04 2184 0.385E-02 0.463E-01 DAV: 127 -0.242834144725E+04 -0.78127E-02 -0.50511E-03 2382 0.156E-01 0.319E-01 DAV: 128 -0.242834150490E+04 -0.57650E-04 -0.18120E-03 1977 0.557E-02 0.324E-01 DAV: 129 -0.242834249564E+04 -0.99074E-03 -0.37034E-04 2121 0.320E-02 0.293E-01 DAV: 130 -0.242834267809E+04 -0.18245E-03 -0.92706E-05 2004 0.100E-02 0.290E-01 DAV: 131 -0.242834326092E+04 -0.58284E-03 -0.10799E-05 1536 0.160E-02 0.276E-01 DAV: 132 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-0.85294E-04 2067 0.475E-02 0.724E-02 DAV: 8 -0.242856044158E+04 0.20278E-03 -0.11640E-04 2094 0.308E-02 0.420E-02 DAV: 9 -0.242856023751E+04 0.20407E-03 -0.20046E-04 2319 0.575E-02 0.215E-02 DAV: 10 -0.242856023265E+04 0.48634E-05 -0.37539E-04 2040 0.318E-02 0.235E-02 DAV: 11 -0.242856023461E+04 -0.19594E-05 -0.12577E-04 2058 0.150E-02 0.202E-02 DAV: 12 -0.242856023089E+04 0.37179E-05 -0.80054E-06 1194 0.426E-03 3 F= -.24285602E+04 E0= -.24285692E+04 d E =-.574720E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242856578920E+04 -0.55546E-02 -0.71971E+00 1704 0.328E+00 0.965E-01 DAV: 2 -0.242857949807E+04 -0.13709E-01 -0.21966E-01 2067 0.515E-01 0.445E-01 DAV: 3 -0.242857610650E+04 0.33916E-02 -0.21117E-02 2139 0.150E-01 0.271E-01 DAV: 4 -0.242857518720E+04 0.91930E-03 -0.99564E-03 2058 0.913E-02 0.156E-01 DAV: 5 -0.242857483250E+04 0.35470E-03 -0.24621E-03 2076 0.586E-02 0.543E-02 DAV: 6 -0.242857483757E+04 -0.50704E-05 -0.54241E-04 2076 0.346E-02 0.376E-02 DAV: 7 -0.242857483060E+04 0.69744E-05 -0.12394E-04 2040 0.153E-02 0.263E-02 DAV: 8 -0.242857482003E+04 0.10563E-04 -0.19561E-05 1482 0.735E-03 0.159E-02 DAV: 9 -0.242857481018E+04 0.98552E-05 -0.12205E-05 1482 0.978E-03 4 F= -.24285748E+04 E0= -.24285845E+04 d E =-.145793E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242857820514E+04 -0.33851E-02 -0.76736E-01 1704 0.107E+00 0.316E-01 DAV: 2 -0.242857969533E+04 -0.14902E-02 -0.22573E-02 2058 0.166E-01 0.143E-01 DAV: 3 -0.242857939992E+04 0.29541E-03 -0.26441E-03 2166 0.485E-02 0.928E-02 DAV: 4 -0.242857928933E+04 0.11059E-03 -0.10007E-03 2067 0.299E-02 0.501E-02 DAV: 5 -0.242857926124E+04 0.28096E-04 -0.24004E-04 2022 0.186E-02 0.171E-02 DAV: 6 -0.242857926285E+04 -0.16078E-05 -0.57949E-05 2031 0.107E-02 5 F= -.24285793E+04 E0= -.24285887E+04 d E =-.190320E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242858526558E+04 -0.60043E-02 -0.52713E+00 1704 0.281E+00 0.671E-01 DAV: 2 -0.242859407442E+04 -0.88088E-02 -0.13229E-01 2067 0.406E-01 0.324E-01 DAV: 3 -0.242859250479E+04 0.15696E-02 -0.89651E-03 2094 0.984E-02 0.203E-01 DAV: 4 -0.242859201469E+04 0.49011E-03 -0.50928E-03 2085 0.688E-02 0.128E-01 DAV: 5 -0.242859176886E+04 0.24582E-03 -0.18253E-03 2049 0.467E-02 0.407E-02 DAV: 6 -0.242859177242E+04 -0.35575E-05 -0.32678E-04 2049 0.262E-02 0.308E-02 DAV: 7 -0.242859176662E+04 0.58011E-05 -0.93043E-05 2022 0.135E-02 6 F= -.24285918E+04 E0= -.24286019E+04 d E =-.125038E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242859244087E+04 -0.66845E-03 -0.24399E-01 1704 0.605E-01 0.140E-01 DAV: 2 -0.242859285403E+04 -0.41315E-03 -0.59279E-03 2058 0.863E-02 0.694E-02 DAV: 3 -0.242859278995E+04 0.64081E-04 -0.37602E-04 2094 0.201E-02 0.437E-02 DAV: 4 -0.242859277184E+04 0.18104E-04 -0.23710E-04 2067 0.147E-02 0.286E-02 DAV: 5 -0.242859276360E+04 0.82401E-05 -0.10043E-04 1932 0.966E-03 0.889E-03 DAV: 6 -0.242859276393E+04 -0.33136E-06 -0.13227E-05 1212 0.487E-03 7 F= -.24285928E+04 E0= -.24286029E+04 d E =-.135011E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242859442091E+04 -0.16573E-02 -0.27411E+00 1704 0.202E+00 0.503E-01 DAV: 2 -0.242859983347E+04 -0.54126E-02 -0.72498E-02 2067 0.301E-01 0.241E-01 DAV: 3 -0.242859900071E+04 0.83276E-03 -0.43363E-03 2193 0.744E-02 0.153E-01 DAV: 4 -0.242859873873E+04 0.26198E-03 -0.27096E-03 2121 0.501E-02 0.963E-02 DAV: 5 -0.242859861718E+04 0.12156E-03 -0.10056E-03 2076 0.349E-02 0.300E-02 DAV: 6 -0.242859862251E+04 -0.53326E-05 -0.19168E-04 2058 0.189E-02 0.234E-02 DAV: 7 -0.242859862211E+04 0.39709E-06 -0.52596E-05 1878 0.916E-03 8 F= -.24285986E+04 E0= -.24286089E+04 d E =-.585818E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242859913686E+04 -0.51436E-03 -0.18394E-01 1704 0.523E-01 0.127E-01 DAV: 2 -0.242859950350E+04 -0.36664E-03 -0.48431E-03 2067 0.780E-02 0.636E-02 DAV: 3 -0.242859944951E+04 0.53996E-04 -0.27829E-04 2175 0.190E-02 0.404E-02 DAV: 4 -0.242859943516E+04 0.14346E-04 -0.19610E-04 2094 0.131E-02 0.259E-02 DAV: 5 -0.242859942854E+04 0.66221E-05 -0.69122E-05 1761 0.902E-03 9 F= -.24285994E+04 E0= -.24286097E+04 d E =-.666461E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242860346980E+04 -0.40346E-02 -0.16418E+00 1704 0.156E+00 0.322E-01 DAV: 2 -0.242860661875E+04 -0.31490E-02 -0.39175E-02 2049 0.220E-01 0.168E-01 DAV: 3 -0.242860626990E+04 0.34885E-03 -0.18872E-03 2112 0.497E-02 0.107E-01 DAV: 4 -0.242860616317E+04 0.10673E-03 -0.11259E-03 2067 0.338E-02 0.663E-02 DAV: 5 -0.242860610975E+04 0.53425E-04 -0.48590E-04 2076 0.237E-02 0.207E-02 DAV: 6 -0.242860611283E+04 -0.30862E-05 -0.82883E-05 2031 0.122E-02 10 F= -.24286061E+04 E0= -.24286164E+04 d E =-.668429E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242860620786E+04 -0.98109E-04 -0.16077E-01 1704 0.488E-01 0.105E-01 DAV: 2 -0.242860652920E+04 -0.32135E-03 -0.39159E-03 2049 0.695E-02 0.519E-02 DAV: 3 -0.242860649570E+04 0.33501E-04 -0.17109E-04 2112 0.156E-02 0.332E-02 DAV: 4 -0.242860648592E+04 0.97796E-05 -0.11458E-04 2031 0.110E-02 0.205E-02 DAV: 5 -0.242860648005E+04 0.58686E-05 -0.42480E-05 1473 0.770E-03 11 F= -.24286065E+04 E0= -.24286168E+04 d E =-.705151E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242860998049E+04 -0.34946E-02 -0.76875E-01 1704 0.106E+00 0.217E-01 DAV: 2 -0.242861142904E+04 -0.14485E-02 -0.17502E-02 2049 0.146E-01 0.106E-01 DAV: 3 -0.242861128851E+04 0.14053E-03 -0.44201E-04 2094 0.282E-02 0.655E-02 DAV: 4 -0.242861124239E+04 0.46120E-04 -0.40920E-04 2112 0.264E-02 0.358E-02 DAV: 5 -0.242861122969E+04 0.12695E-04 -0.20562E-04 2112 0.138E-02 0.171E-02 DAV: 6 -0.242861122747E+04 0.22183E-05 -0.28112E-05 1491 0.737E-03 12 F= -.24286112E+04 E0= -.24286218E+04 d E =-.474742E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242861152357E+04 -0.29388E-03 -0.80360E-01 1704 0.108E+00 0.223E-01 DAV: 2 -0.242861304926E+04 -0.15257E-02 -0.18366E-02 2049 0.149E-01 0.108E-01 DAV: 3 -0.242861289998E+04 0.14927E-03 -0.47188E-04 2094 0.292E-02 0.670E-02 DAV: 4 -0.242861285050E+04 0.49478E-04 -0.45965E-04 2112 0.275E-02 0.389E-02 DAV: 5 -0.242861283174E+04 0.18762E-04 -0.23874E-04 2094 0.150E-02 0.178E-02 DAV: 6 -0.242861282812E+04 0.36175E-05 -0.33810E-05 1644 0.835E-03 13 F= -.24286128E+04 E0= -.24286239E+04 d E =-.634807E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242861532791E+04 -0.24962E-02 -0.55156E-01 1704 0.894E-01 0.194E-01 DAV: 2 -0.242861638374E+04 -0.10558E-02 -0.13856E-02 2049 0.128E-01 0.105E-01 DAV: 3 -0.242861625718E+04 0.12656E-03 -0.98873E-04 2103 0.302E-02 0.688E-02 DAV: 4 -0.242861620810E+04 0.49078E-04 -0.46625E-04 2067 0.213E-02 0.411E-02 DAV: 5 -0.242861618523E+04 0.22877E-04 -0.17737E-04 2049 0.154E-02 0.133E-02 DAV: 6 -0.242861618267E+04 0.25565E-05 -0.31848E-05 1716 0.905E-03 14 F= -.24286162E+04 E0= -.24286278E+04 d E =-.335454E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242861642041E+04 -0.23518E-03 -0.23279E-01 1704 0.581E-01 0.127E-01 DAV: 2 -0.242861687126E+04 -0.45085E-03 -0.59156E-03 2058 0.835E-02 0.686E-02 DAV: 3 -0.242861681567E+04 0.55595E-04 -0.47316E-04 2103 0.202E-02 0.460E-02 DAV: 4 -0.242861679068E+04 0.24984E-04 -0.21665E-04 2076 0.145E-02 0.273E-02 DAV: 5 -0.242861677414E+04 0.16545E-04 -0.75768E-05 2031 0.120E-02 0.975E-03 DAV: 6 -0.242861676876E+04 0.53723E-05 -0.20395E-05 1563 0.820E-03 15 F= -.24286168E+04 E0= -.24286291E+04 d E =-.394064E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242861865160E+04 -0.18775E-02 -0.42261E-01 1704 0.787E-01 0.176E-01 DAV: 2 -0.242861946631E+04 -0.81471E-03 -0.10787E-02 2049 0.112E-01 0.929E-02 DAV: 3 -0.242861937290E+04 0.93408E-04 -0.91966E-04 2112 0.270E-02 0.623E-02 DAV: 4 -0.242861933176E+04 0.41143E-04 -0.41933E-04 2085 0.180E-02 0.380E-02 DAV: 5 -0.242861930922E+04 0.22542E-04 -0.14768E-04 2049 0.144E-02 0.125E-02 DAV: 6 -0.242861930373E+04 0.54913E-05 -0.28428E-05 1698 0.901E-03 16 F= -.24286193E+04 E0= -.24286324E+04 d E =-.253496E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242861948390E+04 -0.17468E-03 -0.25337E-01 1704 0.609E-01 0.139E-01 DAV: 2 -0.242861997475E+04 -0.49085E-03 -0.65732E-03 2049 0.876E-02 0.732E-02 DAV: 3 -0.242861991403E+04 0.60721E-04 -0.64997E-04 2103 0.221E-02 0.512E-02 DAV: 4 -0.242861987805E+04 0.35976E-04 -0.28227E-04 2058 0.151E-02 0.306E-02 DAV: 5 -0.242861983707E+04 0.40979E-04 -0.86013E-05 2013 0.162E-02 0.165E-02 DAV: 6 -0.242861982296E+04 0.14112E-04 -0.49669E-05 1986 0.966E-03 0.171E-02 DAV: 7 -0.242861982519E+04 -0.22269E-05 -0.68238E-06 1104 0.275E-03 17 F= -.24286198E+04 E0= -.24286343E+04 d E =-.305642E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242862153942E+04 -0.17165E-02 -0.40199E-01 1704 0.761E-01 0.160E-01 DAV: 2 -0.242862227625E+04 -0.73683E-03 -0.92717E-03 2040 0.105E-01 0.818E-02 DAV: 3 -0.242862219863E+04 0.77625E-04 -0.36930E-04 2094 0.220E-02 0.547E-02 DAV: 4 -0.242862215678E+04 0.41846E-04 -0.40864E-04 2319 0.207E-02 0.423E-02 DAV: 5 -0.242862207625E+04 0.80526E-04 -0.19210E-04 2058 0.200E-02 0.259E-02 DAV: 6 -0.242862208055E+04 -0.42990E-05 -0.60881E-05 1905 0.808E-03 18 F= -.24286221E+04 E0= -.24286378E+04 d E =-.225537E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242862213812E+04 -0.61866E-04 -0.51261E-01 1704 0.860E-01 0.184E-01 DAV: 2 -0.242862304721E+04 -0.90909E-03 -0.11921E-02 2040 0.120E-01 0.960E-02 DAV: 3 -0.242862289372E+04 0.15348E-03 -0.58062E-04 2112 0.296E-02 0.712E-02 DAV: 4 -0.242862272834E+04 0.16538E-03 -0.58170E-04 2373 0.288E-02 0.605E-02 DAV: 5 -0.242862245597E+04 0.27237E-03 -0.19185E-04 2130 0.279E-02 0.646E-02 DAV: 6 -0.242862284598E+04 -0.39001E-03 -0.27137E-04 2508 0.472E-02 0.347E-02 DAV: 7 -0.242862295537E+04 -0.10939E-03 -0.42186E-04 2040 0.301E-02 0.266E-02 DAV: 8 -0.242862300301E+04 -0.47639E-04 -0.15245E-04 2301 0.210E-02 0.188E-02 DAV: 9 -0.242862301984E+04 -0.16830E-04 -0.26268E-05 1671 0.120E-02 0.125E-02 DAV: 10 -0.242862302454E+04 -0.46943E-05 -0.16376E-05 1590 0.909E-03 19 F= -.24286230E+04 E0= -.24286372E+04 d E =-.319935E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242862440517E+04 -0.13853E-02 -0.51511E-01 1704 0.857E-01 0.173E-01 DAV: 2 -0.242862535590E+04 -0.95073E-03 -0.11657E-02 2031 0.117E-01 0.893E-02 DAV: 3 -0.242862523963E+04 0.11628E-03 -0.32256E-04 2076 0.247E-02 0.591E-02 DAV: 4 -0.242862512091E+04 0.11872E-03 -0.41995E-04 2364 0.301E-02 0.468E-02 DAV: 5 -0.242862500620E+04 0.11471E-03 -0.25632E-04 2058 0.217E-02 0.401E-02 DAV: 6 -0.242862509027E+04 -0.84067E-04 -0.60093E-05 2049 0.137E-02 0.359E-02 DAV: 7 -0.242862518395E+04 -0.93683E-04 -0.90037E-05 2121 0.240E-02 0.277E-02 DAV: 8 -0.242862526057E+04 -0.76614E-04 -0.19208E-04 2292 0.345E-02 0.178E-02 DAV: 9 -0.242862529443E+04 -0.33867E-04 -0.19905E-04 2031 0.203E-02 0.185E-02 DAV: 10 -0.242862529921E+04 -0.47803E-05 -0.16467E-05 1446 0.722E-03 20 F= -.24286253E+04 E0= -.24286388E+04 d E =-.227468E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242862518043E+04 0.11401E-03 -0.51591E-01 1704 0.858E-01 0.175E-01 DAV: 2 -0.242862613498E+04 -0.95455E-03 -0.11699E-02 2022 0.118E-01 0.893E-02 DAV: 3 -0.242862602757E+04 0.10741E-03 -0.31790E-04 2076 0.243E-02 0.578E-02 DAV: 4 -0.242862593523E+04 0.92342E-04 -0.37139E-04 2265 0.289E-02 0.401E-02 DAV: 5 -0.242862586030E+04 0.74933E-04 -0.25355E-04 2076 0.201E-02 0.314E-02 DAV: 6 -0.242862585828E+04 0.20180E-05 -0.48305E-05 1851 0.744E-03 21 F= -.24286259E+04 E0= -.24286415E+04 d E =-.283374E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242862692799E+04 -0.10677E-02 -0.66923E-01 1704 0.973E-01 0.203E-01 DAV: 2 -0.242862803024E+04 -0.11023E-02 -0.15226E-02 2004 0.135E-01 0.110E-01 DAV: 3 -0.242862765920E+04 0.37104E-03 -0.56804E-04 2094 0.395E-02 0.903E-02 DAV: 4 -0.242862721109E+04 0.44811E-03 -0.48896E-04 2265 0.377E-02 0.934E-02 DAV: 5 -0.242862744463E+04 -0.23354E-03 -0.22048E-04 2022 0.184E-02 0.885E-02 DAV: 6 -0.242862773312E+04 -0.28849E-03 -0.46156E-04 2418 0.388E-02 0.566E-02 DAV: 7 -0.242862808711E+04 -0.35399E-03 -0.79292E-04 2373 0.600E-02 0.440E-02 DAV: 8 -0.242862820947E+04 -0.12236E-03 -0.49561E-04 2049 0.305E-02 0.510E-02 DAV: 9 -0.242862822796E+04 -0.18486E-04 -0.52600E-05 1878 0.969E-03 0.486E-02 DAV: 10 -0.242862823923E+04 -0.11268E-04 -0.73120E-06 1437 0.107E-02 0.357E-02 DAV: 11 -0.242862825588E+04 -0.16652E-04 -0.59340E-05 2085 0.239E-02 0.123E-02 DAV: 12 -0.242862826803E+04 -0.12147E-04 -0.86153E-05 1950 0.100E-02 0.201E-02 DAV: 13 -0.242862826913E+04 -0.11055E-05 -0.41397E-06 1185 0.313E-03 22 F= -.24286283E+04 E0= -.24286411E+04 d E =-.241086E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242862846427E+04 -0.19625E-03 -0.81674E-02 1704 0.340E-01 0.688E-02 DAV: 2 -0.242862861614E+04 -0.15186E-03 -0.18533E-03 2031 0.463E-02 0.362E-02 DAV: 3 -0.242862860067E+04 0.15466E-04 -0.53501E-05 1860 0.920E-03 0.233E-02 DAV: 4 -0.242862859311E+04 0.75640E-05 -0.67731E-05 1572 0.960E-03 23 F= -.24286286E+04 E0= -.24286417E+04 d E =-.273483E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242862804173E+04 0.55894E-03 -0.32591E-01 1704 0.679E-01 0.139E-01 DAV: 2 -0.242862864642E+04 -0.60469E-03 -0.73151E-03 2022 0.919E-02 0.699E-02 DAV: 3 -0.242862859049E+04 0.55938E-04 -0.16014E-04 2076 0.166E-02 0.436E-02 DAV: 4 -0.242862856345E+04 0.27036E-04 -0.20868E-04 2148 0.188E-02 0.254E-02 DAV: 5 -0.242862855063E+04 0.12817E-04 -0.12278E-04 1950 0.106E-02 0.151E-02 DAV: 6 -0.242862854318E+04 0.74529E-05 -0.16614E-05 1455 0.618E-03 24 F= -.24286285E+04 E0= -.24286427E+04 d E =-.268490E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242862851516E+04 0.35475E-04 -0.86076E-02 1704 0.349E-01 0.670E-02 DAV: 2 -0.242862865564E+04 -0.14049E-03 -0.18973E-03 2031 0.476E-02 0.383E-02 DAV: 3 -0.242862861642E+04 0.39220E-04 -0.58187E-05 1959 0.135E-02 0.274E-02 DAV: 4 -0.242862854410E+04 0.72321E-04 -0.45884E-05 1806 0.194E-02 0.285E-02 DAV: 5 -0.242862854640E+04 -0.22964E-05 -0.63529E-05 1887 0.795E-03 25 F= -.24286285E+04 E0= -.24286441E+04 d E =-.268812E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242862965341E+04 -0.11093E-02 -0.79077E-01 1704 0.106E+00 0.206E-01 DAV: 2 -0.242863108500E+04 -0.14316E-02 -0.17647E-02 1995 0.145E-01 0.110E-01 DAV: 3 -0.242863080680E+04 0.27821E-03 -0.42452E-04 2076 0.356E-02 0.797E-02 DAV: 4 -0.242863015569E+04 0.65111E-03 -0.33072E-04 2589 0.535E-02 0.911E-02 DAV: 5 -0.242863076036E+04 -0.60467E-03 -0.45817E-04 2454 0.514E-02 0.531E-02 DAV: 6 -0.242863096550E+04 -0.20514E-03 -0.53085E-04 2283 0.373E-02 0.393E-02 DAV: 7 -0.242863106675E+04 -0.10125E-03 -0.38282E-04 2121 0.264E-02 0.381E-02 DAV: 8 -0.242863110790E+04 -0.41158E-04 -0.80647E-05 1806 0.153E-02 0.263E-02 DAV: 9 -0.242863113957E+04 -0.31665E-04 -0.30838E-05 1779 0.163E-02 0.171E-02 DAV: 10 -0.242863115832E+04 -0.18752E-04 -0.36288E-05 1950 0.192E-02 0.935E-03 DAV: 11 -0.242863116917E+04 -0.10847E-04 -0.65137E-05 2040 0.160E-02 0.937E-03 DAV: 12 -0.242863117351E+04 -0.43388E-05 -0.28075E-05 1608 0.720E-03 26 F= -.24286312E+04 E0= -.24286440E+04 d E =-.262711E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242863137505E+04 -0.20588E-03 -0.14978E-01 1704 0.461E-01 0.909E-02 DAV: 2 -0.242863165861E+04 -0.28356E-03 -0.33633E-03 1995 0.626E-02 0.488E-02 DAV: 3 -0.242863163361E+04 0.24997E-04 -0.78303E-05 2049 0.117E-02 0.306E-02 DAV: 4 -0.242863162540E+04 0.82130E-05 -0.11108E-04 1986 0.113E-02 0.196E-02 DAV: 5 -0.242863162002E+04 0.53812E-05 -0.66913E-05 1428 0.730E-03 27 F= -.24286316E+04 E0= -.24286447E+04 d E =-.307362E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242863036289E+04 0.12625E-02 -0.59890E-01 1704 0.922E-01 0.184E-01 DAV: 2 -0.242863151790E+04 -0.11550E-02 -0.13544E-02 2004 0.125E-01 0.966E-02 DAV: 3 -0.242863142330E+04 0.94593E-04 -0.32481E-04 2067 0.227E-02 0.610E-02 DAV: 4 -0.242863140322E+04 0.20089E-04 -0.52608E-04 2121 0.222E-02 0.438E-02 DAV: 5 -0.242863137803E+04 0.25185E-04 -0.32659E-04 2211 0.147E-02 0.164E-02 DAV: 6 -0.242863137530E+04 0.27350E-05 -0.29143E-05 1608 0.724E-03 28 F= -.24286314E+04 E0= -.24286451E+04 d E =-.282890E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242863127236E+04 0.10567E-03 -0.25570E-01 1704 0.602E-01 0.116E-01 DAV: 2 -0.242863174309E+04 -0.47073E-03 -0.56474E-03 2013 0.812E-02 0.636E-02 DAV: 3 -0.242863169140E+04 0.51697E-04 -0.13917E-04 2094 0.156E-02 0.415E-02 DAV: 4 -0.242863165464E+04 0.36760E-04 -0.23033E-04 2166 0.191E-02 0.296E-02 DAV: 5 -0.242863161848E+04 0.36162E-04 -0.14458E-04 2013 0.141E-02 0.190E-02 DAV: 6 -0.242863162337E+04 -0.48971E-05 -0.25412E-05 1536 0.532E-03 29 F= -.24286316E+04 E0= -.24286467E+04 d E =-.307698E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242863266460E+04 -0.10461E-02 -0.69722E-01 1704 0.100E+00 0.197E-01 DAV: 2 -0.242863384786E+04 -0.11833E-02 -0.15340E-02 2013 0.136E-01 0.109E-01 DAV: 3 -0.242863349663E+04 0.35124E-03 -0.52746E-04 2139 0.396E-02 0.842E-02 DAV: 4 -0.242863296558E+04 0.53105E-03 -0.34747E-04 2301 0.423E-02 0.987E-02 DAV: 5 -0.242863333423E+04 -0.36865E-03 -0.42765E-04 2130 0.276E-02 0.928E-02 DAV: 6 -0.242863362436E+04 -0.29014E-03 -0.52081E-04 2445 0.433E-02 0.483E-02 DAV: 7 -0.242863390689E+04 -0.28253E-03 -0.60794E-04 2400 0.500E-02 0.407E-02 DAV: 8 -0.242863400406E+04 -0.97161E-04 -0.32485E-04 2031 0.247E-02 0.415E-02 DAV: 9 -0.242863402899E+04 -0.24929E-04 -0.26833E-05 1734 0.941E-03 0.368E-02 DAV: 10 -0.242863405524E+04 -0.26259E-04 -0.93565E-06 1491 0.130E-02 0.247E-02 DAV: 11 -0.242863409963E+04 -0.44383E-04 -0.82400E-05 2184 0.298E-02 0.105E-02 DAV: 12 -0.242863411899E+04 -0.19362E-04 -0.13595E-04 1941 0.117E-02 0.192E-02 DAV: 13 -0.242863412220E+04 -0.32079E-05 -0.51884E-06 1284 0.344E-03 30 F= -.24286341E+04 E0= -.24286463E+04 d E =-.249882E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242863445724E+04 -0.33825E-03 -0.20361E-01 1704 0.541E-01 0.109E-01 DAV: 2 -0.242863482634E+04 -0.36910E-03 -0.45381E-03 1995 0.737E-02 0.583E-02 DAV: 3 -0.242863477589E+04 0.50451E-04 -0.14132E-04 2067 0.177E-02 0.373E-02 DAV: 4 -0.242863472549E+04 0.50403E-04 -0.13604E-04 2040 0.202E-02 0.278E-02 DAV: 5 -0.242863469452E+04 0.30967E-04 -0.15097E-04 2130 0.156E-02 0.180E-02 DAV: 6 -0.242863468548E+04 0.90470E-05 -0.30093E-05 1572 0.649E-03 31 F= -.24286347E+04 E0= -.24286482E+04 d E =-.306210E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242863324025E+04 0.14543E-02 -0.81398E-01 1704 0.108E+00 0.221E-01 DAV: 2 -0.242863468651E+04 -0.14463E-02 -0.18200E-02 2013 0.148E-01 0.117E-01 DAV: 3 -0.242863441145E+04 0.27507E-03 -0.66810E-04 2148 0.385E-02 0.808E-02 DAV: 4 -0.242863401979E+04 0.39166E-03 -0.67668E-04 2319 0.443E-02 0.860E-02 DAV: 5 -0.242863372380E+04 0.29599E-03 -0.51355E-04 2103 0.311E-02 0.822E-02 DAV: 6 -0.242863423521E+04 -0.51140E-03 -0.24236E-04 2283 0.401E-02 0.678E-02 DAV: 7 -0.242863459304E+04 -0.35784E-03 -0.57926E-04 2337 0.578E-02 0.641E-02 DAV: 8 -0.242863477731E+04 -0.18426E-03 -0.79989E-04 2103 0.504E-02 0.484E-02 DAV: 9 -0.242863487034E+04 -0.93035E-04 -0.25732E-04 2040 0.236E-02 0.385E-02 DAV: 10 -0.242863497768E+04 -0.10734E-03 -0.54801E-05 2211 0.296E-02 0.363E-02 DAV: 11 -0.242863520152E+04 -0.22384E-03 -0.24004E-04 2292 0.599E-02 0.405E-02 DAV: 12 -0.242863514068E+04 0.60843E-04 -0.25550E-04 1932 0.243E-02 0.380E-02 DAV: 13 -0.242863513729E+04 0.33856E-05 -0.32542E-05 1770 0.604E-03 32 F= -.24286351E+04 E0= -.24286459E+04 d E =-.351392E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242863492545E+04 0.21522E-03 -0.18228E-01 1704 0.512E-01 0.102E-01 DAV: 2 -0.242863521422E+04 -0.28876E-03 -0.42476E-03 2022 0.719E-02 0.601E-02 DAV: 3 -0.242863515118E+04 0.63033E-04 -0.28455E-04 2058 0.182E-02 0.416E-02 DAV: 4 -0.242863510469E+04 0.46496E-04 -0.19880E-04 2067 0.167E-02 0.292E-02 DAV: 5 -0.242863503722E+04 0.67463E-04 -0.93892E-05 1941 0.206E-02 0.161E-02 DAV: 6 -0.242863501011E+04 0.27113E-04 -0.88074E-05 2004 0.144E-02 0.165E-02 DAV: 7 -0.242863500190E+04 0.82119E-05 -0.20423E-05 1428 0.547E-03 33 F= -.24286350E+04 E0= -.24286476E+04 d E =-.337853E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242863601050E+04 -0.10004E-02 -0.74999E-01 1704 0.104E+00 0.197E-01 DAV: 2 -0.242863725774E+04 -0.12472E-02 -0.16240E-02 1995 0.140E-01 0.109E-01 DAV: 3 -0.242863699068E+04 0.26706E-03 -0.58351E-04 2085 0.372E-02 0.775E-02 DAV: 4 -0.242863662437E+04 0.36631E-03 -0.72242E-04 2508 0.459E-02 0.686E-02 DAV: 5 -0.242863631923E+04 0.30514E-03 -0.45523E-04 2040 0.328E-02 0.681E-02 DAV: 6 -0.242863690289E+04 -0.58367E-03 -0.41474E-04 2355 0.542E-02 0.594E-02 DAV: 7 -0.242863717935E+04 -0.27646E-03 -0.71786E-04 2301 0.499E-02 0.560E-02 DAV: 8 -0.242863741168E+04 -0.23233E-03 -0.45781E-04 2409 0.524E-02 0.459E-02 DAV: 9 -0.242863768716E+04 -0.27548E-03 -0.21617E-04 2481 0.574E-02 0.458E-02 DAV: 10 -0.242863821133E+04 -0.52417E-03 -0.47174E-04 2535 0.829E-02 0.617E-02 DAV: 11 -0.242863759096E+04 0.62037E-03 -0.90858E-04 2256 0.947E-02 0.590E-02 DAV: 12 -0.242863736486E+04 0.22611E-03 -0.79026E-04 2292 0.491E-02 0.463E-02 DAV: 13 -0.242863728299E+04 0.81863E-04 -0.34804E-04 2022 0.278E-02 0.400E-02 DAV: 14 -0.242863659047E+04 0.69253E-03 -0.26976E-04 2697 0.868E-02 0.756E-02 DAV: 15 -0.242863577175E+04 0.81872E-03 -0.10789E-03 2274 0.676E-02 0.116E-01 DAV: 16 -0.242863633337E+04 -0.56162E-03 -0.51687E-04 2031 0.390E-02 0.816E-02 DAV: 17 -0.242863673730E+04 -0.40393E-03 -0.23001E-04 2391 0.428E-02 0.550E-02 DAV: 18 -0.242863710191E+04 -0.36460E-03 -0.44596E-04 2391 0.585E-02 0.363E-02 DAV: 19 -0.242863719076E+04 -0.88858E-04 -0.44809E-04 1941 0.211E-02 0.460E-02 DAV: 20 -0.242863721807E+04 -0.27306E-04 -0.64432E-06 1491 0.512E-03 0.440E-02 DAV: 21 -0.242863729339E+04 -0.75322E-04 -0.10801E-05 1608 0.137E-02 0.398E-02 DAV: 22 -0.242863750964E+04 -0.21624E-03 -0.12518E-04 2364 0.437E-02 0.336E-02 DAV: 23 -0.242863765253E+04 -0.14289E-03 -0.30498E-04 1995 0.284E-02 0.421E-02 DAV: 24 -0.242863763268E+04 0.19853E-04 -0.96136E-05 1923 0.108E-02 0.493E-02 DAV: 25 -0.242863761365E+04 0.19022E-04 -0.28226E-06 1338 0.387E-03 0.491E-02 DAV: 26 -0.242863759281E+04 0.20845E-04 -0.29772E-06 1140 0.435E-03 0.484E-02 DAV: 27 -0.242863759232E+04 0.49085E-06 -0.31100E-06 960 0.192E-03 34 F= -.24286376E+04 E0= -.24286489E+04 d E =-.259042E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242863796289E+04 -0.37008E-03 -0.14854E-01 1704 0.462E-01 0.102E-01 DAV: 2 -0.242863803722E+04 -0.74326E-04 -0.34859E-03 2040 0.717E-02 0.644E-02 DAV: 3 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-0.242864299297E+04 0.28764E-03 -0.64171E-06 1248 0.507E-03 0.580E-01 DAV: 20 -0.242864341449E+04 -0.42152E-03 -0.20044E-05 1275 0.671E-03 0.594E-01 DAV: 21 -0.242864440359E+04 -0.98910E-03 -0.10924E-04 2004 0.185E-02 0.619E-01 DAV: 22 -0.242864580015E+04 -0.13966E-02 -0.22367E-04 2130 0.280E-02 0.653E-01 DAV: 23 -0.242865022893E+04 -0.44288E-02 -0.12618E-03 2436 0.768E-02 0.741E-01 DAV: 24 -0.242865279966E+04 -0.25707E-02 -0.14744E-03 2031 0.585E-02 0.813E-01 DAV: 25 -0.242865332129E+04 -0.52163E-03 -0.20305E-04 2004 0.171E-02 0.829E-01 DAV: 26 -0.242865328053E+04 0.40764E-04 -0.76741E-06 1086 0.298E-03 0.831E-01 DAV: 27 -0.242865327930E+04 0.12311E-05 -0.25321E-06 1320 0.436E-03 41 F= -.24286533E+04 E0= -.24286755E+04 d E =-.137417E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242865615135E+04 -0.28708E-02 -0.74403E-02 1734 0.333E-01 0.826E-01 DAV: 2 -0.242863601984E+04 0.20132E-01 -0.53207E-02 2787 0.406E-01 0.413E-01 DAV: 3 -0.242863346266E+04 0.25572E-02 -0.71060E-02 2013 0.275E-01 0.550E-01 DAV: 4 -0.242862664836E+04 0.68143E-02 -0.30991E-02 2256 0.158E-01 0.274E-01 DAV: 5 -0.242862707173E+04 -0.42337E-03 -0.33259E-03 1932 0.528E-02 0.274E-01 DAV: 6 -0.242863117101E+04 -0.40993E-02 -0.34550E-03 2868 0.129E-01 0.228E-01 DAV: 7 -0.242864163774E+04 -0.10467E-01 -0.29150E-02 2508 0.333E-01 0.466E-01 DAV: 8 -0.242864891028E+04 -0.72725E-02 -0.18966E-02 2031 0.185E-01 0.729E-01 DAV: 9 -0.242866305265E+04 -0.14142E-01 -0.11543E-02 2778 0.207E-01 0.105E+00 DAV: 10 -0.242866433509E+04 -0.12824E-02 -0.55540E-03 1914 0.759E-02 0.114E+00 DAV: 11 -0.242866477363E+04 -0.43854E-03 -0.90314E-05 2112 0.950E-03 0.116E+00 DAV: 12 -0.242866290034E+04 0.18733E-02 -0.15843E-04 2481 0.402E-02 0.115E+00 DAV: 13 -0.242866279966E+04 0.10068E-03 -0.19944E-04 2049 0.230E-02 0.111E+00 DAV: 14 -0.242866590052E+04 -0.31009E-02 -0.25110E-03 2040 0.717E-02 0.126E+00 DAV: 15 -0.242866694400E+04 -0.10435E-02 -0.70692E-04 1977 0.262E-02 0.128E+00 DAV: 16 -0.242866784558E+04 -0.90157E-03 -0.10711E-04 2004 0.108E-02 0.131E+00 DAV: 17 -0.242867025324E+04 -0.24077E-02 -0.37430E-04 2085 0.330E-02 0.133E+00 DAV: 18 -0.242867429674E+04 -0.40435E-02 -0.38555E-03 2085 0.125E-01 0.154E+00 DAV: 19 -0.242867286259E+04 0.14341E-02 -0.17523E-03 2184 0.787E-02 0.157E+00 DAV: 20 -0.242866779572E+04 0.50669E-02 -0.24385E-03 2112 0.966E-02 0.150E+00 DAV: 21 -0.242866224755E+04 0.55482E-02 -0.25817E-03 2337 0.162E-01 0.145E+00 DAV: 22 -0.242866539264E+04 -0.31451E-02 -0.36491E-03 2058 0.109E-01 0.153E+00 DAV: 23 -0.242866374037E+04 0.16523E-02 -0.18234E-03 1968 0.480E-02 0.146E+00 DAV: 24 -0.242866404541E+04 -0.30504E-03 -0.49014E-05 1950 0.881E-03 0.146E+00 DAV: 25 -0.242866397113E+04 0.74280E-04 -0.86222E-06 1527 0.866E-03 0.146E+00 DAV: 26 -0.242866457560E+04 -0.60446E-03 -0.38184E-04 2742 0.870E-02 0.153E+00 DAV: 27 -0.242866345708E+04 0.11185E-02 -0.79971E-04 1941 0.236E-02 0.149E+00 DAV: 28 -0.242866203945E+04 0.14176E-02 -0.15891E-04 2148 0.233E-02 0.148E+00 DAV: 29 -0.242865590712E+04 0.61323E-02 -0.21853E-03 1959 0.524E-02 0.135E+00 DAV: 30 -0.242865346068E+04 0.24464E-02 -0.10955E-03 2049 0.477E-02 0.124E+00 DAV: 31 -0.242864968544E+04 0.37752E-02 -0.16080E-03 2004 0.408E-02 0.114E+00 DAV: 32 -0.242864929363E+04 0.39181E-03 -0.21560E-04 2031 0.160E-02 0.111E+00 DAV: 33 -0.242864909553E+04 0.19811E-03 -0.25075E-05 1698 0.808E-03 0.111E+00 DAV: 34 -0.242865012883E+04 -0.10333E-02 -0.11029E-04 1977 0.132E-02 0.114E+00 DAV: 35 -0.242864994183E+04 0.18700E-03 -0.12980E-05 1266 0.378E-03 0.114E+00 DAV: 36 -0.242864908940E+04 0.85243E-03 -0.67271E-05 1860 0.800E-03 0.111E+00 DAV: 37 -0.242864876933E+04 0.32007E-03 -0.22315E-05 1581 0.510E-03 0.109E+00 DAV: 38 -0.242865033938E+04 -0.15700E-02 -0.22767E-04 1923 0.147E-02 0.116E+00 DAV: 39 -0.242865019036E+04 0.14902E-03 -0.17801E-05 1419 0.442E-03 0.115E+00 DAV: 40 -0.242865018088E+04 0.94777E-05 -0.13191E-06 924 0.127E-03 42 F= -.24286502E+04 E0= -.24286745E+04 d E =0.309842E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242865179428E+04 -0.16039E-02 -0.25340E-01 1704 0.610E-01 0.117E+00 DAV: 2 -0.242863308450E+04 0.18710E-01 -0.18418E-01 2400 0.434E-01 0.898E-01 DAV: 3 -0.242861532127E+04 0.17763E-01 -0.14889E-01 2229 0.299E-01 0.819E-01 DAV: 4 -0.242859449229E+04 0.20829E-01 -0.55790E-02 2256 0.289E-01 0.565E-01 DAV: 5 -0.242858314651E+04 0.11346E-01 -0.29790E-02 2193 0.224E-01 0.536E-01 DAV: 6 -0.242857983999E+04 0.33065E-02 -0.65695E-03 2013 0.971E-02 0.484E-01 DAV: 7 -0.242857247652E+04 0.73635E-02 -0.41085E-03 2148 0.116E-01 0.546E-01 DAV: 8 -0.242855976712E+04 0.12709E-01 -0.22977E-02 2337 0.265E-01 0.380E-01 DAV: 9 -0.242855888030E+04 0.88683E-03 -0.16926E-02 2094 0.168E-01 0.348E-01 DAV: 10 -0.242855796473E+04 0.91556E-03 -0.13281E-02 2067 0.138E-01 0.161E-01 DAV: 11 -0.242855769013E+04 0.27460E-03 -0.30755E-03 2013 0.645E-02 0.123E-01 DAV: 12 -0.242855721352E+04 0.47660E-03 -0.10952E-03 2265 0.656E-02 0.760E-02 DAV: 13 -0.242855749349E+04 -0.27996E-03 -0.16254E-03 2103 0.549E-02 0.103E-01 DAV: 14 -0.242855713876E+04 0.35472E-03 -0.87436E-04 2103 0.406E-02 0.559E-02 DAV: 15 -0.242855715832E+04 -0.19559E-04 -0.89740E-04 2301 0.443E-02 0.659E-02 DAV: 16 -0.242855706696E+04 0.91368E-04 -0.54632E-04 2094 0.328E-02 0.185E-02 DAV: 17 -0.242855705514E+04 0.11820E-04 -0.91423E-05 1968 0.148E-02 0.886E-03 DAV: 18 -0.242855705494E+04 0.19284E-06 -0.38038E-05 1572 0.876E-03 43 F= -.24285571E+04 E0= -.24286466E+04 d E =0.962244E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242855761401E+04 -0.55887E-03 -0.45431E-02 1734 0.259E-01 0.701E-02 DAV: 2 -0.242855772632E+04 -0.11231E-03 -0.13691E-03 2094 0.414E-02 0.530E-02 DAV: 3 -0.242855770804E+04 0.18272E-04 -0.35517E-04 2211 0.173E-02 0.464E-02 DAV: 4 -0.242855768321E+04 0.24836E-04 -0.11039E-04 1572 0.957E-03 0.172E-02 DAV: 5 -0.242855768376E+04 -0.54835E-06 -0.54935E-05 1599 0.728E-03 44 F= -.24285577E+04 E0= -.24286472E+04 d E =0.955955E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242855783704E+04 -0.15383E-03 -0.23824E-02 1734 0.187E-01 0.519E-02 DAV: 2 -0.242855788994E+04 -0.52903E-04 -0.67527E-04 2085 0.290E-02 0.332E-02 DAV: 3 -0.242855788684E+04 0.30946E-05 -0.15659E-04 1770 0.118E-02 0.341E-02 DAV: 4 -0.242855787301E+04 0.13837E-04 -0.60639E-05 1293 0.714E-03 0.127E-02 DAV: 5 -0.242855787349E+04 -0.47793E-06 -0.29104E-05 1293 0.545E-03 45 F= -.24285579E+04 E0= -.24286473E+04 d E =0.954058E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242855824153E+04 -0.36852E-03 -0.29368E-03 1734 0.659E-02 0.184E-02 DAV: 2 -0.242855824811E+04 -0.65783E-05 -0.88130E-05 2067 0.105E-02 46 F= -.24285582E+04 E0= -.24286476E+04 d E =-.374624E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.242855916146E+04 -0.91993E-03 -0.25767E-02 1716 0.195E-01 0.594E-02 DAV: 2 -0.242855922255E+04 -0.61092E-04 -0.77400E-04 2094 0.316E-02 0.434E-02 DAV: 3 -0.242855920726E+04 0.15290E-04 -0.20690E-04 1797 0.147E-02 0.383E-02 DAV: 4 -0.242855919114E+04 0.16121E-04 -0.86654E-05 1365 0.804E-03 0.150E-02 DAV: 5 -0.242855919120E+04 -0.54846E-07 -0.41094E-05 1338 0.596E-03 47 F= -.24285592E+04 E0= -.24286485E+04 d E =-.131771E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242856012324E+04 -0.93209E-03 -0.10280E-01 1716 0.390E-01 0.114E-01 DAV: 2 -0.242856035150E+04 -0.22826E-03 -0.28949E-03 2085 0.607E-02 0.575E-02 DAV: 3 -0.242856033564E+04 0.15859E-04 -0.33644E-04 2193 0.224E-02 0.601E-02 DAV: 4 -0.242856029471E+04 0.40936E-04 -0.21925E-04 1959 0.143E-02 0.297E-02 DAV: 5 -0.242856029322E+04 0.14880E-05 -0.14874E-04 1932 0.105E-02 0.222E-02 DAV: 6 -0.242856028751E+04 0.57051E-05 -0.50603E-05 1410 0.647E-03 48 F= -.24285603E+04 E0= -.24286497E+04 d E =-.241403E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242855866678E+04 0.16264E-02 -0.41291E-01 1704 0.782E-01 0.227E-01 DAV: 2 -0.242855959737E+04 -0.93059E-03 -0.11795E-02 2076 0.123E-01 0.115E-01 DAV: 3 -0.242855952613E+04 0.71242E-04 -0.12742E-03 2193 0.451E-02 0.120E-01 DAV: 4 -0.242855936747E+04 0.15865E-03 -0.89303E-04 2220 0.286E-02 0.605E-02 DAV: 5 -0.242855935777E+04 0.97047E-05 -0.58473E-04 2085 0.209E-02 0.435E-02 DAV: 6 -0.242855933595E+04 0.21823E-04 -0.19794E-04 2040 0.129E-02 0.137E-02 DAV: 7 -0.242855933679E+04 -0.83886E-06 -0.28852E-05 1428 0.641E-03 49 F= -.24285593E+04 E0= -.24286488E+04 d E =-.146330E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242856011246E+04 -0.77651E-03 -0.21714E-01 1704 0.567E-01 0.161E-01 DAV: 2 -0.242856058257E+04 -0.47011E-03 -0.60943E-03 2085 0.882E-02 0.835E-02 DAV: 3 -0.242856054497E+04 0.37594E-04 -0.77070E-04 2193 0.325E-02 0.862E-02 DAV: 4 -0.242856045721E+04 0.87765E-04 -0.42508E-04 2166 0.203E-02 0.412E-02 DAV: 5 -0.242856045420E+04 0.30064E-05 -0.29846E-04 2022 0.149E-02 0.311E-02 DAV: 6 -0.242856044231E+04 0.11896E-04 -0.10063E-04 1671 0.921E-03 0.941E-03 DAV: 7 -0.242856044306E+04 -0.75677E-06 -0.14321E-05 1095 0.432E-03 50 F= -.24285604E+04 E0= -.24286498E+04 d E =-.256958E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242856164296E+04 -0.12006E-02 -0.27746E-03 1716 0.631E-02 0.242E-02 DAV: 2 -0.242856164971E+04 -0.67555E-05 -0.14661E-04 2094 0.126E-02 0.162E-02 DAV: 3 -0.242856164696E+04 0.27523E-05 -0.52074E-05 1194 0.589E-03 51 F= -.24285616E+04 E0= -.24286509E+04 d E =-.120390E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242856487738E+04 -0.32277E-02 -0.24574E-02 1725 0.188E-01 0.736E-02 DAV: 2 -0.242856492412E+04 -0.46738E-04 -0.12035E-03 2085 0.371E-02 0.442E-02 DAV: 3 -0.242856489927E+04 0.24848E-04 -0.41300E-04 2166 0.172E-02 0.353E-02 DAV: 4 -0.242856488611E+04 0.13162E-04 -0.12594E-04 1671 0.102E-02 0.234E-02 DAV: 5 -0.242856487905E+04 0.70607E-05 -0.48020E-05 1320 0.744E-03 52 F= -.24285649E+04 E0= -.24286538E+04 d E =-.443598E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242856962129E+04 -0.47352E-02 -0.98273E-02 1704 0.377E-01 0.143E-01 DAV: 2 -0.242856985925E+04 -0.23796E-03 -0.50954E-03 2103 0.745E-02 0.988E-02 DAV: 3 -0.242856976953E+04 0.89718E-04 -0.21055E-03 2355 0.350E-02 0.836E-02 DAV: 4 -0.242856969240E+04 0.77137E-04 -0.53663E-04 2301 0.212E-02 0.409E-02 DAV: 5 -0.242856966843E+04 0.23969E-04 -0.15772E-04 2013 0.143E-02 0.188E-02 DAV: 6 -0.242856965931E+04 0.91164E-05 -0.45696E-05 1761 0.106E-02 53 F= -.24285697E+04 E0= -.24286578E+04 d E =-.921625E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242857226313E+04 -0.25947E-02 -0.39594E-01 1704 0.756E-01 0.288E-01 DAV: 2 -0.242857324347E+04 -0.98034E-03 -0.22141E-02 2103 0.152E-01 0.211E-01 DAV: 3 -0.242857284904E+04 0.39442E-03 -0.10048E-02 2328 0.723E-02 0.173E-01 DAV: 4 -0.242857249630E+04 0.35274E-03 -0.22158E-03 2292 0.437E-02 0.766E-02 DAV: 5 -0.242857239620E+04 0.10010E-03 -0.64741E-04 2058 0.290E-02 0.366E-02 DAV: 6 -0.242857234782E+04 0.48383E-04 -0.18309E-04 2067 0.227E-02 0.208E-02 DAV: 7 -0.242857233830E+04 0.95169E-05 -0.10995E-04 2058 0.129E-02 0.176E-02 DAV: 8 -0.242857232724E+04 0.11062E-04 -0.17770E-05 1437 0.741E-03 0.112E-02 DAV: 9 -0.242857231383E+04 0.13411E-04 -0.87871E-06 1473 0.974E-03 0.603E-03 DAV: 10 -0.242857230769E+04 0.61434E-05 -0.15641E-05 1536 0.900E-03 54 F= -.24285723E+04 E0= -.24286576E+04 d E =-.118646E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242857250858E+04 -0.19475E-03 -0.17340E-02 1725 0.158E-01 0.609E-02 DAV: 2 -0.242857255345E+04 -0.44865E-04 -0.90831E-04 2103 0.313E-02 0.428E-02 DAV: 3 -0.242857253725E+04 0.16204E-04 -0.38308E-04 2211 0.147E-02 0.367E-02 DAV: 4 -0.242857252356E+04 0.13687E-04 -0.11204E-04 1572 0.892E-03 0.169E-02 DAV: 5 -0.242857252006E+04 0.35022E-05 -0.29740E-05 1275 0.596E-03 55 F= -.24285725E+04 E0= -.24286582E+04 d E =-.120770E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242857359457E+04 -0.10710E-02 -0.18341E-02 1716 0.165E-01 0.472E-02 DAV: 2 -0.242857363792E+04 -0.43354E-04 -0.68559E-04 2085 0.265E-02 0.404E-02 DAV: 3 -0.242857362468E+04 0.13239E-04 -0.29519E-04 1797 0.113E-02 0.293E-02 DAV: 4 -0.242857361540E+04 0.92816E-05 -0.52649E-05 1293 0.663E-03 56 F= -.24285736E+04 E0= -.24286593E+04 d E =-.109534E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242857578465E+04 -0.21600E-02 -0.16430E-01 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=-.142347E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242858021208E+04 -0.19301E-02 -0.50076E-01 1704 0.862E-01 0.201E-01 DAV: 2 -0.242858132855E+04 -0.11165E-02 -0.15989E-02 2058 0.131E-01 0.186E-01 DAV: 3 -0.242858105119E+04 0.27736E-03 -0.61286E-03 2310 0.504E-02 0.122E-01 DAV: 4 -0.242858089295E+04 0.15824E-03 -0.94189E-04 2193 0.272E-02 0.507E-02 DAV: 5 -0.242858088226E+04 0.10691E-04 -0.28665E-04 2067 0.182E-02 0.363E-02 DAV: 6 -0.242858086165E+04 0.20609E-04 -0.12680E-04 2040 0.142E-02 0.151E-02 DAV: 7 -0.242858086060E+04 0.10470E-05 -0.42987E-05 1509 0.685E-03 61 F= -.24285809E+04 E0= -.24286663E+04 d E =-.400367E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242857567107E+04 0.51906E-02 -0.20108E+00 1704 0.173E+00 0.405E-01 DAV: 2 -0.242858028552E+04 -0.46145E-02 -0.65628E-02 2067 0.264E-01 0.387E-01 DAV: 3 -0.242857916739E+04 0.11181E-02 -0.28886E-02 2310 0.101E-01 0.248E-01 DAV: 4 -0.242857848457E+04 0.68282E-03 -0.34855E-03 2202 0.548E-02 0.100E-01 DAV: 5 -0.242857844477E+04 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DAV: 3 -0.242859027691E+04 0.22284E-03 -0.21083E-03 2112 0.509E-02 0.121E-01 DAV: 4 -0.242859010434E+04 0.17256E-03 -0.85587E-04 2085 0.299E-02 0.730E-02 DAV: 5 -0.242859012964E+04 -0.25298E-04 -0.11680E-03 2211 0.265E-02 0.874E-02 DAV: 6 -0.242859004782E+04 0.81822E-04 -0.68410E-04 2220 0.190E-02 0.166E-02 DAV: 7 -0.242859005666E+04 -0.88379E-05 -0.56551E-05 1761 0.849E-03 69 F= -.24285901E+04 E0= -.24286750E+04 d E =-.319835E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242859133962E+04 -0.12918E-02 -0.24032E-01 1704 0.582E-01 0.121E-01 DAV: 2 -0.242859185255E+04 -0.51293E-03 -0.63033E-03 2040 0.834E-02 0.950E-02 DAV: 3 -0.242859174504E+04 0.10751E-03 -0.10377E-03 2085 0.274E-02 0.567E-02 DAV: 4 -0.242859170943E+04 0.35612E-04 -0.20539E-04 1977 0.128E-02 0.321E-02 DAV: 5 -0.242859172078E+04 -0.11347E-04 -0.22189E-04 2139 0.127E-02 0.414E-02 DAV: 6 -0.242859169982E+04 0.20955E-04 -0.11642E-04 1599 0.893E-03 0.772E-03 DAV: 7 -0.242859170238E+04 -0.25566E-05 -0.12781E-05 1203 0.397E-03 70 F= -.24285917E+04 E0= -.24286765E+04 d E =-.164572E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242859164479E+04 0.55035E-04 -0.91018E-01 1704 0.113E+00 0.234E-01 DAV: 2 -0.242859358380E+04 -0.19390E-02 -0.23989E-02 2031 0.162E-01 0.188E-01 DAV: 3 -0.242859313975E+04 0.44405E-03 -0.39963E-03 2103 0.538E-02 0.109E-01 DAV: 4 -0.242859300806E+04 0.13168E-03 -0.73471E-04 1995 0.247E-02 0.624E-02 DAV: 5 -0.242859304383E+04 -0.35768E-04 -0.83777E-04 2265 0.247E-02 0.780E-02 DAV: 6 -0.242859296815E+04 0.75681E-04 -0.42658E-04 2238 0.174E-02 0.151E-02 DAV: 7 -0.242859297649E+04 -0.83360E-05 -0.45041E-05 1698 0.746E-03 71 F= -.24285930E+04 E0= -.24286774E+04 d E =-.291983E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242859407024E+04 -0.11021E-02 -0.24382E-01 1704 0.593E-01 0.129E-01 DAV: 2 -0.242859461801E+04 -0.54777E-03 -0.70456E-03 2067 0.869E-02 0.112E-01 DAV: 3 -0.242859449043E+04 0.12758E-03 -0.18413E-03 2229 0.300E-02 0.702E-02 DAV: 4 -0.242859444680E+04 0.43630E-04 -0.40158E-04 2184 0.157E-02 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0.683E-01 0.146E-01 DAV: 2 -0.242859674907E+04 -0.67709E-03 -0.87923E-03 2049 0.976E-02 0.118E-01 DAV: 3 -0.242859667083E+04 0.78244E-04 -0.25478E-03 2346 0.314E-02 0.928E-02 DAV: 4 -0.242859658263E+04 0.88199E-04 -0.60876E-04 2256 0.191E-02 0.407E-02 DAV: 5 -0.242859658472E+04 -0.20846E-05 -0.15926E-04 2040 0.151E-02 0.301E-02 DAV: 6 -0.242859657354E+04 0.11179E-04 -0.73809E-05 1860 0.104E-02 0.120E-02 DAV: 7 -0.242859657277E+04 0.76757E-06 -0.20996E-05 1131 0.451E-03 74 F= -.24285966E+04 E0= -.24286802E+04 d E =-.140412E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242859659371E+04 -0.20176E-04 -0.20223E-01 1704 0.542E-01 0.117E-01 DAV: 2 -0.242859702433E+04 -0.43062E-03 -0.55990E-03 2049 0.778E-02 0.938E-02 DAV: 3 -0.242859697358E+04 0.50755E-04 -0.16025E-03 2346 0.252E-02 0.737E-02 DAV: 4 -0.242859691835E+04 0.55226E-04 -0.39365E-04 2121 0.153E-02 0.325E-02 DAV: 5 -0.242859691925E+04 -0.89925E-06 -0.10166E-04 1959 0.121E-02 0.238E-02 DAV: 6 -0.242859691222E+04 0.70267E-05 -0.45523E-05 1500 0.840E-03 75 F= -.24285969E+04 E0= -.24286805E+04 d E =-.174357E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242859756602E+04 -0.64677E-03 -0.40437E-01 1704 0.770E-01 0.153E-01 DAV: 2 -0.242859835722E+04 -0.79120E-03 -0.96947E-03 2031 0.108E-01 0.984E-02 DAV: 3 -0.242859828611E+04 0.71115E-04 -0.10621E-03 2193 0.295E-02 0.758E-02 DAV: 4 -0.242859821962E+04 0.66484E-04 -0.42474E-04 2184 0.176E-02 0.437E-02 DAV: 5 -0.242859822417E+04 -0.45450E-05 -0.31181E-04 2112 0.170E-02 0.427E-02 DAV: 6 -0.242859820007E+04 0.24100E-04 -0.15432E-04 1842 0.118E-02 0.122E-02 DAV: 7 -0.242859820108E+04 -0.10089E-05 -0.25981E-05 1284 0.519E-03 76 F= -.24285982E+04 E0= -.24286822E+04 d E =-.128885E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242859818831E+04 0.11753E-04 -0.12945E-01 1704 0.436E-01 0.874E-02 DAV: 2 -0.242859844679E+04 -0.25848E-03 -0.31387E-03 2040 0.614E-02 0.565E-02 DAV: 3 -0.242859842247E+04 0.24322E-04 -0.33558E-04 2148 0.170E-02 0.430E-02 DAV: 4 -0.242859839931E+04 0.23164E-04 -0.12800E-04 1572 0.102E-02 0.244E-02 DAV: 5 -0.242859839959E+04 -0.28049E-06 -0.98618E-05 1851 0.104E-02 77 F= -.24285984E+04 E0= -.24286826E+04 d E =-.148737E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242859897927E+04 -0.57997E-03 -0.48774E-01 1704 0.843E-01 0.169E-01 DAV: 2 -0.242859991018E+04 -0.93091E-03 -0.11649E-02 2013 0.117E-01 0.101E-01 DAV: 3 -0.242859982476E+04 0.85417E-04 -0.10304E-03 2112 0.314E-02 0.728E-02 DAV: 4 -0.242859976429E+04 0.60476E-04 -0.35923E-04 2085 0.184E-02 0.467E-02 DAV: 5 -0.242859976531E+04 -0.10222E-05 -0.41162E-04 2130 0.170E-02 0.438E-02 DAV: 6 -0.242859974402E+04 0.21294E-04 -0.22360E-04 1860 0.111E-02 0.141E-02 DAV: 7 -0.242859974480E+04 -0.77905E-06 -0.25549E-05 1230 0.526E-03 78 F= -.24285997E+04 E0= -.24286839E+04 d E =-.134521E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242859962959E+04 0.11443E-03 -0.25371E-01 1704 0.608E-01 0.123E-01 DAV: 2 -0.242860012253E+04 -0.49295E-03 -0.61089E-03 2013 0.850E-02 0.720E-02 DAV: 3 -0.242860008109E+04 0.41449E-04 -0.51191E-04 2112 0.222E-02 0.531E-02 DAV: 4 -0.242860004972E+04 0.31364E-04 -0.20248E-04 1959 0.135E-02 0.346E-02 DAV: 5 -0.242860004966E+04 0.66895E-07 -0.22684E-04 2040 0.125E-02 0.320E-02 DAV: 6 -0.242860003808E+04 0.11575E-04 -0.11556E-04 1536 0.823E-03 0.999E-03 DAV: 7 -0.242860003851E+04 -0.43039E-06 -0.13607E-05 1095 0.393E-03 79 F= -.24286000E+04 E0= -.24286841E+04 d E =-.163892E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242860064023E+04 -0.60215E-03 -0.38726E-01 1704 0.750E-01 0.152E-01 DAV: 2 -0.242860144473E+04 -0.80450E-03 -0.98225E-03 2004 0.105E-01 0.107E-01 DAV: 3 -0.242860138554E+04 0.59188E-04 -0.17917E-03 2301 0.314E-02 0.947E-02 DAV: 4 -0.242860129923E+04 0.86310E-04 -0.70981E-04 2247 0.191E-02 0.453E-02 DAV: 5 -0.242860130123E+04 -0.19935E-05 -0.24636E-04 2004 0.166E-02 0.316E-02 DAV: 6 -0.242860128850E+04 0.12724E-04 -0.10509E-04 1977 0.103E-02 0.106E-02 DAV: 7 -0.242860128836E+04 0.13724E-06 -0.15105E-05 1095 0.432E-03 80 F= -.24286013E+04 E0= -.24286854E+04 d E =-.124985E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242860106967E+04 0.21883E-03 -0.38581E-01 1704 0.749E-01 0.152E-01 DAV: 2 -0.242860187418E+04 -0.80452E-03 -0.97499E-03 2004 0.105E-01 0.106E-01 DAV: 3 -0.242860181994E+04 0.54249E-04 -0.17379E-03 2319 0.312E-02 0.953E-02 DAV: 4 -0.242860173202E+04 0.87916E-04 -0.71806E-04 2274 0.193E-02 0.455E-02 DAV: 5 -0.242860173396E+04 -0.19417E-05 -0.24754E-04 2004 0.167E-02 0.317E-02 DAV: 6 -0.242860172121E+04 0.12753E-04 -0.10385E-04 1968 0.105E-02 0.110E-02 DAV: 7 -0.242860172090E+04 0.30792E-06 -0.16090E-05 1113 0.444E-03 81 F= -.24286017E+04 E0= -.24286860E+04 d E =-.168239E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242860224384E+04 -0.52263E-03 -0.48515E-01 1704 0.839E-01 0.168E-01 DAV: 2 -0.242860322220E+04 -0.97835E-03 -0.11633E-02 1995 0.117E-01 0.109E-01 DAV: 3 -0.242860316479E+04 0.57403E-04 -0.14758E-03 2265 0.345E-02 0.969E-02 DAV: 4 -0.242860306590E+04 0.98895E-04 -0.72375E-04 2247 0.216E-02 0.526E-02 DAV: 5 -0.242860307023E+04 -0.43323E-05 -0.45135E-04 2103 0.190E-02 0.451E-02 DAV: 6 -0.242860304745E+04 0.22782E-04 -0.19182E-04 2076 0.121E-02 0.136E-02 DAV: 7 -0.242860304746E+04 -0.91968E-08 -0.27236E-05 1293 0.539E-03 82 F= -.24286030E+04 E0= -.24286876E+04 d E =-.132656E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242860281596E+04 0.23149E-03 -0.36541E-01 1704 0.729E-01 0.147E-01 DAV: 2 -0.242860355708E+04 -0.74112E-03 -0.88159E-03 1995 0.102E-01 0.956E-02 DAV: 3 -0.242860351386E+04 0.43215E-04 -0.11327E-03 2265 0.302E-02 0.847E-02 DAV: 4 -0.242860343698E+04 0.76886E-04 -0.54602E-04 2184 0.190E-02 0.457E-02 DAV: 5 -0.242860343949E+04 -0.25123E-05 -0.34114E-04 2103 0.169E-02 0.397E-02 DAV: 6 -0.242860342113E+04 0.18366E-04 -0.14747E-04 2022 0.108E-02 0.121E-02 DAV: 7 -0.242860342096E+04 0.16800E-06 -0.21749E-05 1230 0.488E-03 83 F= -.24286034E+04 E0= -.24286882E+04 d E =-.170006E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242860394892E+04 -0.52779E-03 -0.46747E-01 1704 0.824E-01 0.163E-01 DAV: 2 -0.242860487459E+04 -0.92567E-03 -0.11021E-02 1968 0.113E-01 0.102E-01 DAV: 3 -0.242860482067E+04 0.53917E-04 -0.12950E-03 2274 0.288E-02 0.851E-02 DAV: 4 -0.242860475321E+04 0.67457E-04 -0.57718E-04 2265 0.183E-02 0.506E-02 DAV: 5 -0.242860475928E+04 -0.60721E-05 -0.35364E-04 2067 0.176E-02 0.418E-02 DAV: 6 -0.242860473666E+04 0.22624E-04 -0.14878E-04 1968 0.122E-02 0.125E-02 DAV: 7 -0.242860473697E+04 -0.31195E-06 -0.22738E-05 1230 0.498E-03 84 F= -.24286047E+04 E0= -.24286894E+04 d E =-.131601E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242860418042E+04 0.55624E-03 -0.65985E-01 1704 0.978E-01 0.194E-01 DAV: 2 -0.242860548562E+04 -0.13052E-02 -0.15520E-02 1968 0.134E-01 0.119E-01 DAV: 3 -0.242860540870E+04 0.76916E-04 -0.16998E-03 2274 0.340E-02 0.988E-02 DAV: 4 -0.242860531745E+04 0.91248E-04 -0.75425E-04 2274 0.216E-02 0.595E-02 DAV: 5 -0.242860532325E+04 -0.57935E-05 -0.48436E-04 2085 0.208E-02 0.477E-02 DAV: 6 -0.242860529360E+04 0.29648E-04 -0.20458E-04 2094 0.144E-02 0.152E-02 DAV: 7 -0.242860529365E+04 -0.47090E-07 -0.31985E-05 1428 0.594E-03 85 F= -.24286053E+04 E0= -.24286898E+04 d E =-.187269E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242860564805E+04 -0.35445E-03 -0.61016E-01 1704 0.942E-01 0.179E-01 DAV: 2 -0.242860686376E+04 -0.12157E-02 -0.14066E-02 1968 0.128E-01 0.118E-01 DAV: 3 -0.242860678341E+04 0.80350E-04 -0.14001E-03 2229 0.326E-02 0.953E-02 DAV: 4 -0.242860669100E+04 0.92414E-04 -0.59284E-04 2229 0.207E-02 0.542E-02 DAV: 5 -0.242860670601E+04 -0.15009E-04 -0.46418E-04 2112 0.204E-02 0.504E-02 DAV: 6 -0.242860667173E+04 0.34273E-04 -0.19467E-04 2040 0.135E-02 0.126E-02 DAV: 7 -0.242860667361E+04 -0.18760E-05 -0.25536E-05 1365 0.540E-03 86 F= -.24286067E+04 E0= -.24286912E+04 d E =-.137996E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242860596688E+04 0.70485E-03 -0.72833E-01 1704 0.103E+00 0.196E-01 DAV: 2 -0.242860741875E+04 -0.14519E-02 -0.16760E-02 1968 0.140E-01 0.129E-01 DAV: 3 -0.242860732089E+04 0.97863E-04 -0.16085E-03 2211 0.356E-02 0.103E-01 DAV: 4 -0.242860721054E+04 0.11034E-03 -0.66794E-04 2238 0.225E-02 0.586E-02 DAV: 5 -0.242860722537E+04 -0.14825E-04 -0.53933E-04 2103 0.223E-02 0.531E-02 DAV: 6 -0.242860718748E+04 0.37894E-04 -0.22677E-04 2076 0.144E-02 0.139E-02 DAV: 7 -0.242860718938E+04 -0.19000E-05 -0.29633E-05 1401 0.584E-03 87 F= -.24286072E+04 E0= -.24286918E+04 d E =-.189573E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242860743750E+04 -0.25003E-03 -0.69553E-01 1704 0.100E+00 0.185E-01 DAV: 2 -0.242860877911E+04 -0.13416E-02 -0.15237E-02 1968 0.134E-01 0.112E-01 DAV: 3 -0.242860870408E+04 0.75027E-04 -0.64742E-04 2103 0.305E-02 0.877E-02 DAV: 4 -0.242860862559E+04 0.78488E-04 -0.32556E-04 2094 0.208E-02 0.536E-02 DAV: 5 -0.242860860529E+04 0.20303E-04 -0.24979E-04 2004 0.192E-02 0.181E-02 DAV: 6 -0.242860860605E+04 -0.75490E-06 -0.71238E-05 1743 0.877E-03 88 F= -.24286086E+04 E0= -.24286932E+04 d E =-.141667E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242860741973E+04 0.11856E-02 -0.10936E+00 1704 0.126E+00 0.234E-01 DAV: 2 -0.242860953365E+04 -0.21139E-02 -0.24065E-02 1959 0.169E-01 0.141E-01 DAV: 3 -0.242860942234E+04 0.11130E-03 -0.11170E-03 2112 0.383E-02 0.112E-01 DAV: 4 -0.242860929689E+04 0.12546E-03 -0.57640E-04 2103 0.261E-02 0.684E-02 DAV: 5 -0.242860927398E+04 0.22902E-04 -0.48860E-04 2013 0.249E-02 0.349E-02 DAV: 6 -0.242860926520E+04 0.87866E-05 -0.17139E-04 2004 0.123E-02 0.186E-02 DAV: 7 -0.242860926217E+04 0.30234E-05 -0.26065E-05 1131 0.645E-03 89 F= -.24286093E+04 E0= -.24286937E+04 d E =-.207280E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242860936676E+04 -0.10156E-03 -0.89358E-01 1704 0.114E+00 0.210E-01 DAV: 2 -0.242861106681E+04 -0.17000E-02 -0.19678E-02 1959 0.152E-01 0.118E-01 DAV: 3 -0.242861095592E+04 0.11089E-03 -0.59579E-04 2094 0.279E-02 0.832E-02 DAV: 4 -0.242861094738E+04 0.85385E-05 -0.75861E-04 2382 0.247E-02 0.808E-02 DAV: 5 -0.242861089353E+04 0.53855E-04 -0.73883E-04 2202 0.228E-02 0.384E-02 DAV: 6 -0.242861088345E+04 0.10083E-04 -0.17743E-04 2013 0.123E-02 0.164E-02 DAV: 7 -0.242861088204E+04 0.14039E-05 -0.26209E-05 1320 0.604E-03 90 F= -.24286109E+04 E0= -.24286951E+04 d E =-.161987E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242860955372E+04 0.13297E-02 -0.11891E+00 1704 0.131E+00 0.243E-01 DAV: 2 -0.242861181242E+04 -0.22587E-02 -0.26096E-02 1959 0.175E-01 0.135E-01 DAV: 3 -0.242861166592E+04 0.14650E-03 -0.73834E-04 2094 0.318E-02 0.959E-02 DAV: 4 -0.242861165749E+04 0.84248E-05 -0.98666E-04 2382 0.283E-02 0.942E-02 DAV: 5 -0.242861157818E+04 0.79315E-04 -0.94098E-04 2202 0.264E-02 0.417E-02 DAV: 6 -0.242861156826E+04 0.99198E-05 -0.21189E-04 2022 0.139E-02 0.193E-02 DAV: 7 -0.242861156532E+04 0.29383E-05 -0.32846E-05 1419 0.690E-03 91 F= -.24286116E+04 E0= -.24286956E+04 d E =-.230315E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242861116731E+04 0.40095E-03 -0.12759E+00 1704 0.136E+00 0.250E-01 DAV: 2 -0.242861356821E+04 -0.24009E-02 -0.27444E-02 1941 0.180E-01 0.136E-01 DAV: 3 -0.242861340144E+04 0.16678E-03 -0.48616E-04 2085 0.284E-02 0.865E-02 DAV: 4 -0.242861337693E+04 0.24512E-04 -0.77857E-04 2112 0.323E-02 0.607E-02 DAV: 5 -0.242861334152E+04 0.35410E-04 -0.54849E-04 2256 0.200E-02 0.303E-02 DAV: 6 -0.242861333698E+04 0.45353E-05 -0.84249E-05 1662 0.879E-03 92 F= -.24286133E+04 E0= -.24286975E+04 d E =-.177166E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242861247674E+04 0.86477E-03 -0.73437E-01 1704 0.103E+00 0.193E-01 DAV: 2 -0.242861387184E+04 -0.13951E-02 -0.15938E-02 1941 0.137E-01 0.103E-01 DAV: 3 -0.242861377992E+04 0.91922E-04 -0.30829E-04 2076 0.221E-02 0.664E-02 DAV: 4 -0.242861378565E+04 -0.57266E-05 -0.64328E-04 2211 0.248E-02 0.637E-02 DAV: 5 -0.242861374309E+04 0.42557E-04 -0.47596E-04 2301 0.168E-02 0.242E-02 DAV: 6 -0.242861374254E+04 0.55130E-06 -0.55563E-05 1536 0.749E-03 93 F= -.24286137E+04 E0= -.24286980E+04 d E =-.217722E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242861314497E+04 0.59812E-03 -0.13967E+00 1704 0.142E+00 0.262E-01 DAV: 2 -0.242861579143E+04 -0.26465E-02 -0.30307E-02 1950 0.190E-01 0.146E-01 DAV: 3 -0.242861561487E+04 0.17656E-03 -0.84834E-04 2076 0.335E-02 0.997E-02 DAV: 4 -0.242861561395E+04 0.91879E-06 -0.12734E-03 2265 0.301E-02 0.966E-02 DAV: 5 -0.242861552762E+04 0.86333E-04 -0.90320E-04 2247 0.276E-02 0.400E-02 DAV: 6 -0.242861551924E+04 0.83772E-05 -0.19872E-04 2031 0.138E-02 0.203E-02 DAV: 7 -0.242861551658E+04 0.26582E-05 -0.29420E-05 1329 0.652E-03 94 F= -.24286155E+04 E0= -.24286996E+04 d E =-.177405E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242861391571E+04 0.16035E-02 -0.12744E+00 1704 0.136E+00 0.250E-01 DAV: 2 -0.242861634398E+04 -0.24283E-02 -0.27654E-02 1950 0.181E-01 0.139E-01 DAV: 3 -0.242861618260E+04 0.16138E-03 -0.66472E-04 2076 0.323E-02 0.951E-02 DAV: 4 -0.242861616699E+04 0.15612E-04 -0.66964E-04 2139 0.282E-02 0.810E-02 DAV: 5 -0.242861609376E+04 0.73228E-04 -0.47497E-04 2076 0.258E-02 0.285E-02 DAV: 6 -0.242861609121E+04 0.25528E-05 -0.13083E-04 1995 0.120E-02 0.190E-02 DAV: 7 -0.242861608794E+04 0.32639E-05 -0.23112E-05 1140 0.573E-03 95 F= -.24286161E+04 E0= -.24287000E+04 d E =-.234541E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242861506827E+04 0.10229E-02 -0.17097E+00 1704 0.158E+00 0.298E-01 DAV: 2 -0.242861828338E+04 -0.32151E-02 -0.36775E-02 1941 0.210E-01 0.161E-01 DAV: 3 -0.242861805422E+04 0.22916E-03 -0.75259E-04 2085 0.346E-02 0.106E-01 DAV: 4 -0.242861810530E+04 -0.51079E-04 -0.15421E-03 2310 0.377E-02 0.120E-01 DAV: 5 -0.242861794791E+04 0.15739E-03 -0.13669E-03 2283 0.284E-02 0.374E-02 DAV: 6 -0.242861795189E+04 -0.39813E-05 -0.17203E-04 1995 0.129E-02 0.226E-02 DAV: 7 -0.242861794692E+04 0.49699E-05 -0.32762E-05 1374 0.784E-03 96 F= -.24286179E+04 E0= -.24287016E+04 d E =-.185898E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242861749399E+04 0.45791E-03 -0.39717E-01 1704 0.762E-01 0.145E-01 DAV: 2 -0.242861825209E+04 -0.75810E-03 -0.86119E-03 1950 0.102E-01 0.776E-02 DAV: 3 -0.242861820001E+04 0.52077E-04 -0.15463E-04 2085 0.170E-02 0.508E-02 DAV: 4 -0.242861820898E+04 -0.89674E-05 -0.20955E-04 2211 0.185E-02 0.482E-02 DAV: 5 -0.242861817513E+04 0.33850E-04 -0.15286E-04 2085 0.143E-02 0.135E-02 DAV: 6 -0.242861817589E+04 -0.75932E-06 -0.32461E-05 1410 0.609E-03 97 F= -.24286182E+04 E0= -.24287017E+04 d E =-.208794E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242861695816E+04 0.12170E-02 -0.19743E+00 1704 0.170E+00 0.311E-01 DAV: 2 -0.242862060619E+04 -0.36480E-02 -0.42171E-02 1941 0.225E-01 0.183E-01 DAV: 3 -0.242862036844E+04 0.23775E-03 -0.15775E-03 2103 0.455E-02 0.135E-01 DAV: 4 -0.242862025113E+04 0.11730E-03 -0.10658E-03 2184 0.358E-02 0.984E-02 DAV: 5 -0.242862017901E+04 0.72130E-04 -0.82262E-04 2067 0.337E-02 0.433E-02 DAV: 6 -0.242862016241E+04 0.16595E-04 -0.29961E-04 2004 0.169E-02 0.248E-02 DAV: 7 -0.242862015785E+04 0.45645E-05 -0.55050E-05 1437 0.773E-03 98 F= -.24286202E+04 E0= -.24287037E+04 d E =-.198196E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242861950633E+04 0.65608E-03 -0.56845E-01 1704 0.912E-01 0.169E-01 DAV: 2 -0.242862058422E+04 -0.10779E-02 -0.12294E-02 1941 0.121E-01 0.988E-02 DAV: 3 -0.242862051843E+04 0.65794E-04 -0.42126E-04 2103 0.250E-02 0.729E-02 DAV: 4 -0.242862048144E+04 0.36988E-04 -0.26307E-04 2103 0.197E-02 0.516E-02 DAV: 5 -0.242862045943E+04 0.22008E-04 -0.19478E-04 2058 0.185E-02 0.192E-02 DAV: 6 -0.242862045629E+04 0.31397E-05 -0.68056E-05 1860 0.852E-03 99 F= -.24286205E+04 E0= -.24287040E+04 d E =-.228040E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242861892085E+04 0.15386E-02 -0.21609E+00 1704 0.178E+00 0.322E-01 DAV: 2 -0.242862286800E+04 -0.39472E-02 -0.45500E-02 1950 0.234E-01 0.187E-01 DAV: 3 -0.242862261022E+04 0.25778E-03 -0.11533E-03 2094 0.449E-02 0.134E-01 DAV: 4 -0.242862253301E+04 0.77209E-04 -0.91692E-04 2130 0.383E-02 0.104E-01 DAV: 5 -0.242862241072E+04 0.12229E-03 -0.76187E-04 2031 0.346E-02 0.304E-02 DAV: 6 -0.242862241344E+04 -0.27225E-05 -0.23357E-04 1968 0.152E-02 0.245E-02 DAV: 7 -0.242862240763E+04 0.58139E-05 -0.41289E-05 1221 0.698E-03 100 F= -.24286224E+04 E0= -.24287055E+04 d E =-.195134E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242862217683E+04 0.23662E-03 -0.23404E-01 1704 0.585E-01 0.109E-01 DAV: 2 -0.242862262128E+04 -0.44445E-03 -0.50479E-03 1950 0.778E-02 0.626E-02 DAV: 3 -0.242862259833E+04 0.22945E-04 -0.17290E-04 2094 0.153E-02 0.475E-02 DAV: 4 -0.242862258588E+04 0.12449E-04 -0.16158E-04 1815 0.124E-02 0.365E-02 DAV: 5 -0.242862257614E+04 0.97477E-05 -0.13292E-04 1968 0.118E-02 0.162E-02 DAV: 6 -0.242862257410E+04 0.20355E-05 -0.34269E-05 1176 0.584E-03 101 F= -.24286226E+04 E0= -.24287054E+04 d E =-.211781E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242862160778E+04 0.96835E-03 -0.17421E+00 1704 0.160E+00 0.300E-01 DAV: 2 -0.242862482861E+04 -0.32208E-02 -0.37390E-02 1950 0.213E-01 0.173E-01 DAV: 3 -0.242862463570E+04 0.19291E-03 -0.14741E-03 2103 0.453E-02 0.131E-01 DAV: 4 -0.242862450581E+04 0.12989E-03 -0.11100E-03 2148 0.359E-02 0.942E-02 DAV: 5 -0.242862444024E+04 0.65565E-04 -0.97391E-04 2067 0.338E-02 0.494E-02 DAV: 6 -0.242862442470E+04 0.15548E-04 -0.36760E-04 2067 0.161E-02 0.247E-02 DAV: 7 -0.242862441974E+04 0.49549E-05 -0.40147E-05 1446 0.767E-03 102 F= -.24286244E+04 E0= -.24287071E+04 d E =-.184564E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242862392927E+04 0.49542E-03 -0.42570E-01 1704 0.790E-01 0.150E-01 DAV: 2 -0.242862473793E+04 -0.80865E-03 -0.92598E-03 1950 0.106E-01 0.858E-02 DAV: 3 -0.242862469160E+04 0.46326E-04 -0.31648E-04 2103 0.223E-02 0.646E-02 DAV: 4 -0.242862466028E+04 0.31320E-04 -0.22441E-04 2112 0.177E-02 0.455E-02 DAV: 5 -0.242862464232E+04 0.17963E-04 -0.18761E-04 2040 0.164E-02 0.192E-02 DAV: 6 -0.242862464100E+04 0.13184E-05 -0.64926E-05 1482 0.746E-03 103 F= -.24286246E+04 E0= -.24287073E+04 d E =-.206690E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242862437050E+04 0.27182E-03 -0.11548E+00 1704 0.130E+00 0.232E-01 DAV: 2 -0.242862647450E+04 -0.21040E-02 -0.24399E-02 1923 0.171E-01 0.135E-01 DAV: 3 -0.242862632616E+04 0.14834E-03 -0.68494E-04 2094 0.297E-02 0.904E-02 DAV: 4 -0.242862635145E+04 -0.25293E-04 -0.13217E-03 2337 0.320E-02 0.977E-02 DAV: 5 -0.242862625222E+04 0.99230E-04 -0.99556E-04 2355 0.263E-02 0.340E-02 DAV: 6 -0.242862625216E+04 0.56199E-07 -0.17035E-04 1968 0.118E-02 0.176E-02 DAV: 7 -0.242862624970E+04 0.24670E-05 -0.24263E-05 1230 0.633E-03 104 F= -.24286262E+04 E0= -.24287092E+04 d E =-.160870E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242862188232E+04 0.43698E-02 -0.33114E+00 1704 0.220E+00 0.391E-01 DAV: 2 -0.242862789959E+04 -0.60173E-02 -0.69659E-02 1923 0.289E-01 0.228E-01 DAV: 3 -0.242862745912E+04 0.44047E-03 -0.18445E-03 2094 0.496E-02 0.151E-01 DAV: 4 -0.242862753171E+04 -0.72584E-04 -0.38112E-03 2301 0.549E-02 0.162E-01 DAV: 5 -0.242862723659E+04 0.29511E-03 -0.26119E-03 2319 0.440E-02 0.522E-02 DAV: 6 -0.242862724449E+04 -0.78947E-05 -0.43611E-04 1977 0.192E-02 0.295E-02 DAV: 7 -0.242862723696E+04 0.75305E-05 -0.68970E-05 1851 0.103E-02 105 F= -.24286272E+04 E0= -.24287108E+04 d E =-.259596E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242862694292E+04 0.30156E-03 -0.11435E+00 1704 0.129E+00 0.231E-01 DAV: 2 -0.242862905653E+04 -0.21136E-02 -0.24080E-02 1923 0.170E-01 0.136E-01 DAV: 3 -0.242862893369E+04 0.12284E-03 -0.64504E-04 2103 0.314E-02 0.974E-02 DAV: 4 -0.242862889231E+04 0.41382E-04 -0.48314E-04 2112 0.267E-02 0.754E-02 DAV: 5 -0.242862883329E+04 0.59013E-04 -0.37579E-04 2022 0.250E-02 0.203E-02 DAV: 6 -0.242862883475E+04 -0.14583E-05 -0.95679E-05 1959 0.106E-02 106 F= -.24286288E+04 E0= -.24287122E+04 d E =-.159780E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242862401771E+04 0.48156E-02 -0.37157E+00 1704 0.233E+00 0.416E-01 DAV: 2 -0.242863082800E+04 -0.68103E-02 -0.78040E-02 1932 0.306E-01 0.247E-01 DAV: 3 -0.242863043058E+04 0.39742E-03 -0.24266E-03 2112 0.580E-02 0.180E-01 DAV: 4 -0.242863025557E+04 0.17500E-03 -0.18834E-03 2157 0.477E-02 0.138E-01 DAV: 5 -0.242863008261E+04 0.17296E-03 -0.15393E-03 2049 0.462E-02 0.508E-02 DAV: 6 -0.242863007699E+04 0.56227E-05 -0.47677E-04 2004 0.210E-02 0.360E-02 DAV: 7 -0.242863006464E+04 0.12345E-04 -0.68124E-05 1752 0.983E-03 0.222E-02 DAV: 8 -0.242863005975E+04 0.48959E-05 -0.41351E-05 1617 0.838E-03 107 F= -.24286301E+04 E0= -.24287128E+04 d E =-.282279E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242862983394E+04 0.23071E-03 -0.12880E+00 1704 0.137E+00 0.255E-01 DAV: 2 -0.242863222870E+04 -0.23948E-02 -0.27444E-02 1923 0.182E-01 0.142E-01 DAV: 3 -0.242863205908E+04 0.16963E-03 -0.65213E-04 2103 0.327E-02 0.971E-02 DAV: 4 -0.242863204135E+04 0.17730E-04 -0.58203E-04 2130 0.298E-02 0.816E-02 DAV: 5 -0.242863195524E+04 0.86103E-04 -0.43949E-04 2040 0.268E-02 0.226E-02 DAV: 6 -0.242863195746E+04 -0.22171E-05 -0.12621E-04 1986 0.116E-02 0.186E-02 DAV: 7 -0.242863195414E+04 0.33210E-05 -0.21730E-05 1014 0.538E-03 108 F= -.24286320E+04 E0= -.24287146E+04 d E =-.189439E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242862988025E+04 0.20772E-02 -0.17841E+00 1704 0.162E+00 0.301E-01 DAV: 2 -0.242863319346E+04 -0.33132E-02 -0.37984E-02 1923 0.214E-01 0.168E-01 DAV: 3 -0.242863296231E+04 0.23115E-03 -0.94065E-04 2112 0.395E-02 0.117E-01 DAV: 4 -0.242863292117E+04 0.41146E-04 -0.82381E-04 2139 0.340E-02 0.968E-02 DAV: 5 -0.242863280334E+04 0.11782E-03 -0.61000E-04 2049 0.317E-02 0.261E-02 DAV: 6 -0.242863280763E+04 -0.42925E-05 -0.17760E-04 1977 0.139E-02 0.229E-02 DAV: 7 -0.242863280207E+04 0.55658E-05 -0.31915E-05 1140 0.651E-03 109 F= -.24286328E+04 E0= -.24287153E+04 d E =-.274232E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242863238476E+04 0.42287E-03 -0.14446E+00 1704 0.145E+00 0.261E-01 DAV: 2 -0.242863504583E+04 -0.26611E-02 -0.30439E-02 1932 0.191E-01 0.148E-01 DAV: 3 -0.242863486314E+04 0.18269E-03 -0.56274E-04 2085 0.316E-02 0.967E-02 DAV: 4 -0.242863489265E+04 -0.29518E-04 -0.71292E-04 2175 0.340E-02 0.886E-02 DAV: 5 -0.242863477784E+04 0.11481E-03 -0.56960E-04 2085 0.275E-02 0.244E-02 DAV: 6 -0.242863478194E+04 -0.40996E-05 -0.12085E-04 1950 0.109E-02 0.213E-02 DAV: 7 -0.242863477812E+04 0.38167E-05 -0.26124E-05 1059 0.541E-03 110 F= -.24286348E+04 E0= -.24287177E+04 d E =-.197606E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242863055179E+04 0.42302E-02 -0.33036E+00 1704 0.220E+00 0.392E-01 DAV: 2 -0.242863661250E+04 -0.60607E-02 -0.69464E-02 1932 0.289E-01 0.224E-01 DAV: 3 -0.242863619684E+04 0.41566E-03 -0.14535E-03 2094 0.484E-02 0.149E-01 DAV: 4 -0.242863626696E+04 -0.70117E-04 -0.23904E-03 2292 0.493E-02 0.154E-01 DAV: 5 -0.242863597920E+04 0.28776E-03 -0.17602E-03 2211 0.410E-02 0.413E-02 DAV: 6 -0.242863599354E+04 -0.14342E-04 -0.31657E-04 1986 0.178E-02 0.328E-02 DAV: 7 -0.242863598332E+04 0.10222E-04 -0.60363E-05 1617 0.892E-03 0.199E-02 DAV: 8 -0.242863598011E+04 0.32081E-05 -0.25918E-05 1293 0.662E-03 111 F= -.24286360E+04 E0= -.24287198E+04 d E =-.317804E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242863444521E+04 0.15381E-02 -0.22723E+00 1704 0.182E+00 0.323E-01 DAV: 2 -0.242863868880E+04 -0.42436E-02 -0.48268E-02 1923 0.240E-01 0.190E-01 DAV: 3 -0.242863844531E+04 0.24349E-03 -0.19840E-03 2193 0.446E-02 0.145E-01 DAV: 4 -0.242863840299E+04 0.42319E-04 -0.28180E-03 2418 0.404E-02 0.140E-01 DAV: 5 -0.242863823186E+04 0.17114E-03 -0.18996E-03 2148 0.382E-02 0.375E-02 DAV: 6 -0.242863824102E+04 -0.91588E-05 -0.27616E-04 1968 0.172E-02 0.249E-02 DAV: 7 -0.242863823479E+04 0.62264E-05 -0.32897E-05 1473 0.815E-03 112 F= -.24286382E+04 E0= -.24287217E+04 d E =-.225468E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242863537964E+04 0.28614E-02 -0.21601E+00 1704 0.178E+00 0.317E-01 DAV: 2 -0.242863943972E+04 -0.40601E-02 -0.46074E-02 1932 0.234E-01 0.185E-01 DAV: 3 -0.242863920808E+04 0.23164E-03 -0.17965E-03 2193 0.430E-02 0.140E-01 DAV: 4 -0.242863917409E+04 0.33992E-04 -0.26226E-03 2409 0.391E-02 0.136E-01 DAV: 5 -0.242863901212E+04 0.16196E-03 -0.17764E-03 2166 0.369E-02 0.390E-02 DAV: 6 -0.242863901862E+04 -0.64999E-05 -0.24604E-04 1977 0.167E-02 0.253E-02 DAV: 7 -0.242863901136E+04 0.72687E-05 -0.31933E-05 1536 0.828E-03 113 F= -.24286390E+04 E0= -.24287220E+04 d E =-.303125E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242863726067E+04 0.17580E-02 -0.26046E+00 1704 0.195E+00 0.347E-01 DAV: 2 -0.242864209138E+04 -0.48307E-02 -0.55255E-02 1914 0.257E-01 0.198E-01 DAV: 3 -0.242864176809E+04 0.32329E-03 -0.12609E-03 2076 0.430E-02 0.132E-01 DAV: 4 -0.242864176494E+04 0.31446E-05 -0.13513E-03 2175 0.420E-02 0.114E-01 DAV: 5 -0.242864159478E+04 0.17016E-03 -0.85849E-04 2094 0.353E-02 0.308E-02 DAV: 6 -0.242864159605E+04 -0.12711E-05 -0.19116E-04 1959 0.150E-02 0.242E-02 DAV: 7 -0.242864158995E+04 0.61052E-05 -0.32553E-05 1482 0.776E-03 114 F= -.24286416E+04 E0= -.24287244E+04 d E =-.257859E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242863245123E+04 0.91448E-02 -0.64517E+00 1704 0.307E+00 0.545E-01 DAV: 2 -0.242864435986E+04 -0.11909E-01 -0.13637E-01 1914 0.403E-01 0.310E-01 DAV: 3 -0.242864353590E+04 0.82396E-03 -0.28900E-03 2076 0.662E-02 0.204E-01 DAV: 4 -0.242864357514E+04 -0.39245E-04 -0.33070E-03 2175 0.689E-02 0.180E-01 DAV: 5 -0.242864312424E+04 0.45090E-03 -0.22881E-03 2103 0.570E-02 0.540E-02 DAV: 6 -0.242864313207E+04 -0.78321E-05 -0.59617E-04 1932 0.239E-02 0.435E-02 DAV: 7 -0.242864311510E+04 0.16968E-04 -0.11613E-04 2004 0.116E-02 0.276E-02 DAV: 8 -0.242864310814E+04 0.69600E-05 -0.58118E-05 1716 0.903E-03 115 F= -.24286431E+04 E0= -.24287260E+04 d E =-.409679E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242864126264E+04 0.18525E-02 -0.25430E+00 1704 0.193E+00 0.338E-01 DAV: 2 -0.242864602426E+04 -0.47616E-02 -0.54069E-02 1887 0.253E-01 0.198E-01 DAV: 3 -0.242864576882E+04 0.25544E-03 -0.20421E-03 2166 0.463E-02 0.150E-01 DAV: 4 -0.242864571050E+04 0.58321E-04 -0.30352E-03 2382 0.427E-02 0.136E-01 DAV: 5 -0.242864554379E+04 0.16672E-03 -0.16591E-03 2148 0.399E-02 0.453E-02 DAV: 6 -0.242864554444E+04 -0.65292E-06 -0.35791E-04 1995 0.184E-02 0.268E-02 DAV: 7 -0.242864553774E+04 0.66945E-05 -0.39180E-05 1653 0.794E-03 116 F= -.24286455E+04 E0= -.24287287E+04 d E =-.242960E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242863508349E+04 0.10461E-01 -0.72964E+00 1704 0.327E+00 0.572E-01 DAV: 2 -0.242864873540E+04 -0.13652E-01 -0.15498E-01 1887 0.429E-01 0.335E-01 DAV: 3 -0.242864798725E+04 0.74815E-03 -0.54550E-03 2148 0.789E-02 0.253E-01 DAV: 4 -0.242864780787E+04 0.17939E-03 -0.84452E-03 2364 0.727E-02 0.225E-01 DAV: 5 -0.242864734053E+04 0.46733E-03 -0.44760E-03 2148 0.679E-02 0.788E-02 DAV: 6 -0.242864733830E+04 0.22350E-05 -0.10279E-03 2004 0.313E-02 0.473E-02 DAV: 7 -0.242864731648E+04 0.21817E-04 -0.12010E-04 1932 0.136E-02 0.298E-02 DAV: 8 -0.242864730879E+04 0.76929E-05 -0.68427E-05 1860 0.104E-02 117 F= -.24286473E+04 E0= -.24287310E+04 d E =-.420064E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242864517280E+04 0.21437E-02 -0.29281E+00 1704 0.207E+00 0.363E-01 DAV: 2 -0.242865067481E+04 -0.55020E-02 -0.62135E-02 1905 0.272E-01 0.207E-01 DAV: 3 -0.242865031785E+04 0.35695E-03 -0.10806E-03 2085 0.425E-02 0.134E-01 DAV: 4 -0.242865037078E+04 -0.52925E-04 -0.14047E-03 2211 0.463E-02 0.127E-01 DAV: 5 -0.242865015289E+04 0.21788E-03 -0.98754E-04 2130 0.355E-02 0.345E-02 DAV: 6 -0.242865015786E+04 -0.49698E-05 -0.19312E-04 1986 0.146E-02 0.272E-02 DAV: 7 -0.242865015166E+04 0.62084E-05 -0.43090E-05 1293 0.772E-03 118 F= -.24286502E+04 E0= -.24287338E+04 d E =-.284287E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242864564751E+04 0.45104E-02 -0.33707E+00 1704 0.222E+00 0.391E-01 DAV: 2 -0.242865198957E+04 -0.63421E-02 -0.71708E-02 1905 0.292E-01 0.222E-01 DAV: 3 -0.242865157777E+04 0.41180E-03 -0.12269E-03 2085 0.462E-02 0.144E-01 DAV: 4 -0.242865164538E+04 -0.67610E-04 -0.16797E-03 2220 0.526E-02 0.135E-01 DAV: 5 -0.242865138479E+04 0.26059E-03 -0.13944E-03 2094 0.412E-02 0.411E-02 DAV: 6 -0.242865139023E+04 -0.54384E-05 -0.30408E-04 1986 0.168E-02 0.314E-02 DAV: 7 -0.242865138196E+04 0.82671E-05 -0.53528E-05 1626 0.843E-03 119 F= -.24286514E+04 E0= -.24287347E+04 d E =-.407317E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242864730558E+04 0.40846E-02 -0.43138E+00 1704 0.251E+00 0.449E-01 DAV: 2 -0.242865556983E+04 -0.82643E-02 -0.93086E-02 1914 0.334E-01 0.262E-01 DAV: 3 -0.242865511467E+04 0.45516E-03 -0.25346E-03 2103 0.653E-02 0.194E-01 DAV: 4 -0.242865483850E+04 0.27617E-03 -0.16231E-03 2103 0.522E-02 0.137E-01 DAV: 5 -0.242865466075E+04 0.17775E-03 -0.14655E-03 2004 0.498E-02 0.398E-02 DAV: 6 -0.242865466820E+04 -0.74535E-05 -0.39998E-04 1950 0.213E-02 0.356E-02 DAV: 7 -0.242865465554E+04 0.12655E-04 -0.75521E-05 1689 0.964E-03 0.219E-02 DAV: 8 -0.242865465203E+04 0.35172E-05 -0.43272E-05 1356 0.773E-03 120 F= -.24286547E+04 E0= -.24287384E+04 d E =-.327007E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242865001137E+04 0.46442E-02 -0.32192E+00 1704 0.217E+00 0.386E-01 DAV: 2 -0.242865615123E+04 -0.61399E-02 -0.69238E-02 1914 0.288E-01 0.226E-01 DAV: 3 -0.242865580354E+04 0.34769E-03 -0.19152E-03 2103 0.564E-02 0.167E-01 DAV: 4 -0.242865560626E+04 0.19728E-03 -0.13723E-03 2103 0.463E-02 0.122E-01 DAV: 5 -0.242865547671E+04 0.12955E-03 -0.14049E-03 2031 0.447E-02 0.518E-02 DAV: 6 -0.242865546638E+04 0.10327E-04 -0.44752E-04 1986 0.201E-02 0.312E-02 DAV: 7 -0.242865545648E+04 0.99055E-05 -0.50480E-05 1662 0.914E-03 121 F= -.24286555E+04 E0= -.24287397E+04 d E =-.407452E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242865247172E+04 0.29947E-02 -0.31520E+00 1704 0.215E+00 0.378E-01 DAV: 2 -0.242865850130E+04 -0.60296E-02 -0.67490E-02 1905 0.283E-01 0.224E-01 DAV: 3 -0.242865820142E+04 0.29988E-03 -0.21518E-03 2112 0.536E-02 0.169E-01 DAV: 4 -0.242865801122E+04 0.19019E-03 -0.18278E-03 2148 0.421E-02 0.124E-01 DAV: 5 -0.242865791108E+04 0.10014E-03 -0.15509E-03 2058 0.421E-02 0.604E-02 DAV: 6 -0.242865788704E+04 0.24038E-04 -0.48674E-04 2049 0.200E-02 0.298E-02 DAV: 7 -0.242865787986E+04 0.71847E-05 -0.46876E-05 1653 0.904E-03 122 F= -.24286579E+04 E0= -.24287422E+04 d E =-.242338E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242864639253E+04 0.11495E-01 -0.76160E+00 1704 0.334E+00 0.585E-01 DAV: 2 -0.242866090590E+04 -0.14513E-01 -0.16266E-01 1905 0.440E-01 0.346E-01 DAV: 3 -0.242866015304E+04 0.75286E-03 -0.49805E-03 2103 0.822E-02 0.258E-01 DAV: 4 -0.242865972722E+04 0.42582E-03 -0.41327E-03 2148 0.653E-02 0.192E-01 DAV: 5 -0.242865945474E+04 0.27248E-03 -0.34964E-03 2058 0.649E-02 0.870E-02 DAV: 6 -0.242865941814E+04 0.36604E-04 -0.11236E-03 2040 0.301E-02 0.473E-02 DAV: 7 -0.242865939824E+04 0.19898E-04 -0.11309E-04 1932 0.138E-02 0.293E-02 DAV: 8 -0.242865939094E+04 0.72987E-05 -0.78230E-05 1860 0.116E-02 123 F= -.24286594E+04 E0= -.24287436E+04 d E =-.393446E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242865831385E+04 0.10844E-02 -0.22407E+00 1704 0.181E+00 0.324E-01 DAV: 2 -0.242866266243E+04 -0.43486E-02 -0.49150E-02 1932 0.242E-01 0.194E-01 DAV: 3 -0.242866246725E+04 0.19518E-03 -0.28085E-03 2292 0.480E-02 0.164E-01 DAV: 4 -0.242866229338E+04 0.17387E-03 -0.29443E-03 2328 0.372E-02 0.118E-01 DAV: 5 -0.242866223519E+04 0.58185E-04 -0.13163E-03 2157 0.384E-02 0.633E-02 DAV: 6 -0.242866218846E+04 0.46732E-04 -0.36520E-04 2040 0.209E-02 0.230E-02 DAV: 7 -0.242866218526E+04 0.32049E-05 -0.46923E-05 1761 0.867E-03 124 F= -.24286622E+04 E0= -.24287460E+04 d E =-.279432E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242865959803E+04 0.25904E-02 -0.20963E+00 1704 0.175E+00 0.315E-01 DAV: 2 -0.242866368033E+04 -0.40823E-02 -0.46155E-02 1932 0.234E-01 0.188E-01 DAV: 3 -0.242866349387E+04 0.18646E-03 -0.25886E-03 2283 0.466E-02 0.158E-01 DAV: 4 -0.242866333227E+04 0.16159E-03 -0.27127E-03 2337 0.362E-02 0.114E-01 DAV: 5 -0.242866327946E+04 0.52817E-04 -0.12653E-03 2157 0.375E-02 0.633E-02 DAV: 6 -0.242866323183E+04 0.47626E-04 -0.35652E-04 2040 0.206E-02 0.228E-02 DAV: 7 -0.242866322864E+04 0.31875E-05 -0.45832E-05 1752 0.867E-03 125 F= -.24286632E+04 E0= -.24287466E+04 d E =-.383770E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242866105670E+04 0.21751E-02 -0.30950E+00 1704 0.213E+00 0.383E-01 DAV: 2 -0.242866693958E+04 -0.58829E-02 -0.67208E-02 1932 0.283E-01 0.212E-01 DAV: 3 -0.242866651902E+04 0.42056E-03 -0.11530E-03 2085 0.452E-02 0.135E-01 DAV: 4 -0.242866645771E+04 0.61309E-04 -0.13863E-03 2121 0.528E-02 0.925E-02 DAV: 5 -0.242866636658E+04 0.91126E-04 -0.96901E-04 2148 0.335E-02 0.461E-02 DAV: 6 -0.242866635088E+04 0.15702E-04 -0.22697E-04 1959 0.140E-02 0.284E-02 DAV: 7 -0.242866634551E+04 0.53752E-05 -0.58283E-05 1653 0.876E-03 126 F= -.24286663E+04 E0= -.24287501E+04 d E =-.311686E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242866390339E+04 0.24475E-02 -0.18411E+00 1704 0.165E+00 0.297E-01 DAV: 2 -0.242866741695E+04 -0.35136E-02 -0.40059E-02 1941 0.219E-01 0.163E-01 DAV: 3 -0.242866716939E+04 0.24756E-03 -0.72771E-04 2094 0.352E-02 0.105E-01 DAV: 4 -0.242866717463E+04 -0.52437E-05 -0.11255E-03 2193 0.403E-02 0.983E-02 DAV: 5 -0.242866706188E+04 0.11275E-03 -0.84600E-04 2220 0.272E-02 0.343E-02 DAV: 6 -0.242866705988E+04 0.19943E-05 -0.13520E-04 1968 0.117E-02 0.231E-02 DAV: 7 -0.242866705503E+04 0.48538E-05 -0.34013E-05 1203 0.714E-03 127 F= -.24286671E+04 E0= -.24287513E+04 d E =-.382638E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242866485847E+04 0.22014E-02 -0.28880E+00 1704 0.206E+00 0.360E-01 DAV: 2 -0.242867034547E+04 -0.54870E-02 -0.62113E-02 1932 0.272E-01 0.205E-01 DAV: 3 -0.242867000166E+04 0.34381E-03 -0.13981E-03 2076 0.452E-02 0.140E-01 DAV: 4 -0.242867010254E+04 -0.10088E-03 -0.31804E-03 2391 0.463E-02 0.176E-01 DAV: 5 -0.242866981157E+04 0.29097E-03 -0.31228E-03 2328 0.416E-02 0.552E-02 DAV: 6 -0.242866981722E+04 -0.56525E-05 -0.37225E-04 1995 0.190E-02 0.303E-02 DAV: 7 -0.242866981042E+04 0.67998E-05 -0.51753E-05 1788 0.941E-03 128 F= -.24286698E+04 E0= -.24287538E+04 d E =-.275540E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242866657169E+04 0.32455E-02 -0.24976E+00 1704 0.192E+00 0.337E-01 DAV: 2 -0.242867134303E+04 -0.47713E-02 -0.53905E-02 1932 0.254E-01 0.190E-01 DAV: 3 -0.242867104476E+04 0.29827E-03 -0.10514E-03 2085 0.417E-02 0.127E-01 DAV: 4 -0.242867110248E+04 -0.57727E-04 -0.20732E-03 2292 0.426E-02 0.142E-01 DAV: 5 -0.242867089888E+04 0.20361E-03 -0.21492E-03 2283 0.367E-02 0.561E-02 DAV: 6 -0.242867088654E+04 0.12334E-04 -0.33537E-04 2004 0.173E-02 0.283E-02 DAV: 7 -0.242867087992E+04 0.66214E-05 -0.46494E-05 1752 0.918E-03 129 F= -.24286709E+04 E0= -.24287546E+04 d E =-.382489E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242867028179E+04 0.60475E-03 -0.20494E+00 1704 0.173E+00 0.318E-01 DAV: 2 -0.242867425151E+04 -0.39697E-02 -0.45238E-02 1941 0.233E-01 0.182E-01 DAV: 3 -0.242867404997E+04 0.20154E-03 -0.20574E-03 2211 0.453E-02 0.148E-01 DAV: 4 -0.242867393445E+04 0.11552E-03 -0.24256E-03 2319 0.361E-02 0.117E-01 DAV: 5 -0.242867386281E+04 0.71642E-04 -0.13963E-03 2166 0.363E-02 0.637E-02 DAV: 6 -0.242867382020E+04 0.42611E-04 -0.37853E-04 2040 0.199E-02 0.232E-02 DAV: 7 -0.242867381681E+04 0.33875E-05 -0.46591E-05 1725 0.866E-03 130 F= -.24286738E+04 E0= -.24287573E+04 d E =-.293689E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242867209581E+04 0.17244E-02 -0.14479E+00 1704 0.146E+00 0.267E-01 DAV: 2 -0.242867490848E+04 -0.28127E-02 -0.32008E-02 1941 0.196E-01 0.153E-01 DAV: 3 -0.242867475833E+04 0.15015E-03 -0.13683E-03 2202 0.379E-02 0.121E-01 DAV: 4 -0.242867468204E+04 0.76290E-04 -0.16096E-03 2328 0.305E-02 0.985E-02 DAV: 5 -0.242867462817E+04 0.53870E-04 -0.10097E-03 2175 0.308E-02 0.549E-02 DAV: 6 -0.242867459609E+04 0.32075E-04 -0.27582E-04 2040 0.169E-02 0.197E-02 DAV: 7 -0.242867459328E+04 0.28100E-05 -0.33521E-05 1527 0.752E-03 131 F= -.24286746E+04 E0= -.24287579E+04 d E =-.371336E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242867415886E+04 0.43724E-03 -0.16895E+00 1704 0.157E+00 0.279E-01 DAV: 2 -0.242867738412E+04 -0.32253E-02 -0.36690E-02 1932 0.209E-01 0.162E-01 DAV: 3 -0.242867719477E+04 0.18935E-03 -0.12354E-03 2094 0.395E-02 0.118E-01 DAV: 4 -0.242867714534E+04 0.49436E-04 -0.14033E-03 2292 0.328E-02 0.103E-01 DAV: 5 -0.242867708039E+04 0.64944E-04 -0.12878E-03 2229 0.317E-02 0.607E-02 DAV: 6 -0.242867704757E+04 0.32822E-04 -0.42736E-04 2076 0.174E-02 0.227E-02 DAV: 7 -0.242867704609E+04 0.14822E-05 -0.44520E-05 1590 0.779E-03 132 F= -.24286770E+04 E0= -.24287609E+04 d E =-.245280E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242867036206E+04 0.66855E-02 -0.48788E+00 1704 0.268E+00 0.475E-01 DAV: 2 -0.242867965479E+04 -0.92927E-02 -0.10570E-01 1932 0.355E-01 0.274E-01 DAV: 3 -0.242867909682E+04 0.55797E-03 -0.33866E-03 2085 0.666E-02 0.197E-01 DAV: 4 -0.242867894985E+04 0.14697E-03 -0.36693E-03 2283 0.554E-02 0.170E-01 DAV: 5 -0.242867875281E+04 0.19705E-03 -0.32745E-03 2211 0.534E-02 0.986E-02 DAV: 6 -0.242867867401E+04 0.78794E-04 -0.12015E-03 2076 0.286E-02 0.397E-02 DAV: 7 -0.242867866762E+04 0.63899E-05 -0.12444E-04 1959 0.129E-02 0.260E-02 DAV: 8 -0.242867866025E+04 0.73744E-05 -0.56581E-05 1734 0.961E-03 133 F= -.24286787E+04 E0= -.24287634E+04 d E =-.406696E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242867677513E+04 0.18925E-02 -0.29999E+00 1704 0.210E+00 0.382E-01 DAV: 2 -0.242868260328E+04 -0.58281E-02 -0.65731E-02 1932 0.280E-01 0.211E-01 DAV: 3 -0.242868224557E+04 0.35770E-03 -0.13488E-03 2085 0.505E-02 0.147E-01 DAV: 4 -0.242868216821E+04 0.77367E-04 -0.11071E-03 2139 0.435E-02 0.119E-01 DAV: 5 -0.242868199706E+04 0.17114E-03 -0.10478E-03 2049 0.417E-02 0.405E-02 DAV: 6 -0.242868200232E+04 -0.52582E-05 -0.38434E-04 1995 0.189E-02 0.327E-02 DAV: 7 -0.242868199150E+04 0.10822E-04 -0.55873E-05 1563 0.828E-03 0.187E-02 DAV: 8 -0.242868198672E+04 0.47781E-05 -0.26375E-05 1482 0.736E-03 134 F= -.24286820E+04 E0= -.24287664E+04 d E =-.332647E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242867103010E+04 0.10961E-01 -0.67648E+00 1704 0.315E+00 0.572E-01 DAV: 2 -0.242868410644E+04 -0.13076E-01 -0.14801E-01 1932 0.421E-01 0.318E-01 DAV: 3 -0.242868327814E+04 0.82829E-03 -0.32000E-03 2085 0.775E-02 0.223E-01 DAV: 4 -0.242868305600E+04 0.22214E-03 -0.25570E-03 2130 0.657E-02 0.178E-01 DAV: 5 -0.242868266827E+04 0.38774E-03 -0.25183E-03 2049 0.642E-02 0.660E-02 DAV: 6 -0.242868267179E+04 -0.35252E-05 -0.96407E-04 2004 0.299E-02 0.497E-02 DAV: 7 -0.242868264556E+04 0.26228E-04 -0.13685E-04 2031 0.132E-02 0.285E-02 DAV: 8 -0.242868263005E+04 0.15518E-04 -0.53068E-05 1977 0.113E-02 0.150E-02 DAV: 9 -0.242868262172E+04 0.83302E-05 -0.15319E-05 1473 0.804E-03 135 F= -.24286826E+04 E0= -.24287661E+04 d E =-.396147E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242868148882E+04 0.11412E-02 -0.87023E-01 1704 0.113E+00 0.204E-01 DAV: 2 -0.242868315802E+04 -0.16692E-02 -0.18934E-02 1932 0.150E-01 0.114E-01 DAV: 3 -0.242868305168E+04 0.10634E-03 -0.41444E-04 2085 0.274E-02 0.799E-02 DAV: 4 -0.242868302344E+04 0.28243E-04 -0.33887E-04 2094 0.233E-02 0.635E-02 DAV: 5 -0.242868297762E+04 0.45823E-04 -0.32546E-04 2040 0.223E-02 0.248E-02 DAV: 6 -0.242868297711E+04 0.50526E-06 -0.12181E-04 1950 0.102E-02 0.175E-02 DAV: 7 -0.242868297416E+04 0.29502E-05 -0.15518E-05 1032 0.451E-03 136 F= -.24286830E+04 E0= -.24287664E+04 d E =-.431391E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242868214590E+04 0.83121E-03 -0.22623E+00 1704 0.182E+00 0.320E-01 DAV: 2 -0.242868651110E+04 -0.43652E-02 -0.49670E-02 1932 0.242E-01 0.203E-01 DAV: 3 -0.242868628399E+04 0.22711E-03 -0.32307E-03 2211 0.527E-02 0.167E-01 DAV: 4 -0.242868603359E+04 0.25040E-03 -0.22518E-03 2247 0.367E-02 0.106E-01 DAV: 5 -0.242868605630E+04 -0.22714E-04 -0.15303E-03 2166 0.397E-02 0.934E-02 DAV: 6 -0.242868594248E+04 0.11382E-03 -0.65390E-04 2067 0.249E-02 0.234E-02 DAV: 7 -0.242868594687E+04 -0.43917E-05 -0.78267E-05 1923 0.980E-03 137 F= -.24286859E+04 E0= -.24287692E+04 d E =-.297271E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242867896238E+04 0.69801E-02 -0.50260E+00 1704 0.271E+00 0.484E-01 DAV: 2 -0.242868885527E+04 -0.98929E-02 -0.11207E-01 1932 0.364E-01 0.305E-01 DAV: 3 -0.242868836836E+04 0.48691E-03 -0.76275E-03 2220 0.799E-02 0.253E-01 DAV: 4 -0.242868779925E+04 0.56911E-03 -0.54585E-03 2265 0.557E-02 0.159E-01 DAV: 5 -0.242868785491E+04 -0.55652E-04 -0.33121E-03 2184 0.606E-02 0.141E-01 DAV: 6 -0.242868758666E+04 0.26825E-03 -0.14922E-03 2067 0.383E-02 0.364E-02 DAV: 7 -0.242868759283E+04 -0.61732E-05 -0.19465E-04 1995 0.156E-02 0.261E-02 DAV: 8 -0.242868757741E+04 0.15416E-04 -0.57310E-05 2004 0.122E-02 0.137E-02 DAV: 9 -0.242868756973E+04 0.76846E-05 -0.15660E-05 1428 0.758E-03 138 F= -.24286876E+04 E0= -.24287709E+04 d E =-.459557E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242868678812E+04 0.78929E-03 -0.22614E+00 1704 0.182E+00 0.328E-01 DAV: 2 -0.242869118120E+04 -0.43931E-02 -0.50120E-02 1950 0.243E-01 0.200E-01 DAV: 3 -0.242869099424E+04 0.18696E-03 -0.36186E-03 2274 0.531E-02 0.179E-01 DAV: 4 -0.242869074767E+04 0.24656E-03 -0.31697E-03 2328 0.388E-02 0.114E-01 DAV: 5 -0.242869071260E+04 0.35072E-04 -0.13439E-03 2103 0.399E-02 0.680E-02 DAV: 6 -0.242869065425E+04 0.58354E-04 -0.43105E-04 2049 0.229E-02 0.248E-02 DAV: 7 -0.242869065112E+04 0.31257E-05 -0.61777E-05 1887 0.904E-03 139 F= -.24286907E+04 E0= -.24287743E+04 d E =-.308139E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242868727413E+04 0.33801E-02 -0.26082E+00 1704 0.195E+00 0.355E-01 DAV: 2 -0.242869239861E+04 -0.51245E-02 -0.58246E-02 1950 0.263E-01 0.214E-01 DAV: 3 -0.242869218776E+04 0.21085E-03 -0.41519E-03 2274 0.570E-02 0.193E-01 DAV: 4 -0.242869190585E+04 0.28191E-03 -0.37448E-03 2310 0.419E-02 0.124E-01 DAV: 5 -0.242869186074E+04 0.45107E-04 -0.15029E-03 2103 0.437E-02 0.736E-02 DAV: 6 -0.242869179007E+04 0.70668E-04 -0.48999E-04 2058 0.251E-02 0.274E-02 DAV: 7 -0.242869178510E+04 0.49711E-05 -0.76562E-05 1959 0.103E-02 140 F= -.24286918E+04 E0= -.24287755E+04 d E =-.421537E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242868947060E+04 0.23195E-02 -0.33025E+00 1704 0.220E+00 0.398E-01 DAV: 2 -0.242869586386E+04 -0.63933E-02 -0.72628E-02 1932 0.295E-01 0.220E-01 DAV: 3 -0.242869546013E+04 0.40373E-03 -0.18545E-03 2076 0.504E-02 0.152E-01 DAV: 4 -0.242869556953E+04 -0.10940E-03 -0.36739E-03 2409 0.513E-02 0.194E-01 DAV: 5 -0.242869519701E+04 0.37252E-03 -0.34740E-03 2310 0.468E-02 0.516E-02 DAV: 6 -0.242869521784E+04 -0.20835E-04 -0.48014E-04 1986 0.217E-02 0.320E-02 DAV: 7 -0.242869520761E+04 0.10237E-04 -0.69588E-05 1977 0.109E-02 0.193E-02 DAV: 8 -0.242869520105E+04 0.65604E-05 -0.17892E-05 1419 0.687E-03 141 F= -.24286952E+04 E0= -.24287786E+04 d E =-.341595E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242869184757E+04 0.33600E-02 -0.24622E+00 1704 0.190E+00 0.342E-01 DAV: 2 -0.242869658305E+04 -0.47355E-02 -0.53930E-02 1932 0.254E-01 0.189E-01 DAV: 3 -0.242869626498E+04 0.31806E-03 -0.12642E-03 2076 0.427E-02 0.128E-01 DAV: 4 -0.242869636676E+04 -0.10177E-03 -0.28448E-03 2400 0.452E-02 0.172E-01 DAV: 5 -0.242869605884E+04 0.30792E-03 -0.26480E-03 2301 0.399E-02 0.420E-02 DAV: 6 -0.242869608171E+04 -0.22874E-04 -0.32405E-04 1986 0.184E-02 0.273E-02 DAV: 7 -0.242869607383E+04 0.78804E-05 -0.50882E-05 1932 0.939E-03 142 F= -.24286961E+04 E0= -.24287792E+04 d E =-.428873E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242869257407E+04 0.35076E-02 -0.39656E+00 1704 0.242E+00 0.439E-01 DAV: 2 -0.242870019956E+04 -0.76255E-02 -0.87508E-02 1932 0.324E-01 0.243E-01 DAV: 3 -0.242869968889E+04 0.51067E-03 -0.22798E-03 2085 0.572E-02 0.161E-01 DAV: 4 -0.242869967060E+04 0.18292E-04 -0.30692E-03 2193 0.562E-02 0.153E-01 DAV: 5 -0.242869949786E+04 0.17274E-03 -0.35208E-03 2274 0.481E-02 0.948E-02 DAV: 6 -0.242869941910E+04 0.78756E-04 -0.90447E-04 2094 0.246E-02 0.349E-02 DAV: 7 -0.242869941500E+04 0.40982E-05 -0.96816E-05 1941 0.124E-02 143 F= -.24286994E+04 E0= -.24287829E+04 d E =-.334117E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242869858650E+04 0.83260E-03 -0.62656E-01 1704 0.961E-01 0.179E-01 DAV: 2 -0.242869981374E+04 -0.12272E-02 -0.14018E-02 1950 0.130E-01 0.969E-02 DAV: 3 -0.242869973437E+04 0.79367E-04 -0.33708E-04 2085 0.243E-02 0.653E-02 DAV: 4 -0.242869971965E+04 0.14716E-04 -0.29420E-04 2166 0.224E-02 0.518E-02 DAV: 5 -0.242869967746E+04 0.42196E-04 -0.19557E-04 2058 0.202E-02 0.178E-02 DAV: 6 -0.242869967578E+04 0.16748E-05 -0.72739E-05 1995 0.947E-03 144 F= -.24286997E+04 E0= -.24287836E+04 d E =-.360195E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242869772566E+04 0.19518E-02 -0.28264E+00 1704 0.204E+00 0.370E-01 DAV: 2 -0.242870324502E+04 -0.55194E-02 -0.62640E-02 1932 0.274E-01 0.214E-01 DAV: 3 -0.242870299904E+04 0.24598E-03 -0.30061E-03 2247 0.552E-02 0.182E-01 DAV: 4 -0.242870281762E+04 0.18142E-03 -0.37781E-03 2328 0.448E-02 0.140E-01 DAV: 5 -0.242870267464E+04 0.14298E-03 -0.17269E-03 2094 0.437E-02 0.492E-02 DAV: 6 -0.242870266496E+04 0.96793E-05 -0.46613E-04 2031 0.209E-02 0.280E-02 DAV: 7 -0.242870265776E+04 0.71972E-05 -0.49302E-05 1752 0.889E-03 145 F= -.24287027E+04 E0= -.24287868E+04 d E =-.298198E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242870196750E+04 0.69746E-03 -0.55997E-01 1704 0.907E-01 0.168E-01 DAV: 2 -0.242870309023E+04 -0.11227E-02 -0.12600E-02 1941 0.123E-01 0.960E-02 DAV: 3 -0.242870304306E+04 0.47165E-04 -0.56972E-04 2247 0.254E-02 0.805E-02 DAV: 4 -0.242870300351E+04 0.39556E-04 -0.64415E-04 2301 0.206E-02 0.608E-02 DAV: 5 -0.242870298137E+04 0.22140E-04 -0.38735E-04 2112 0.203E-02 0.292E-02 DAV: 6 -0.242870297380E+04 0.75702E-05 -0.10676E-04 1941 0.100E-02 0.131E-02 DAV: 7 -0.242870297195E+04 0.18429E-05 -0.12356E-05 1068 0.462E-03 146 F= -.24287030E+04 E0= -.24287872E+04 d E =-.329617E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242870072317E+04 0.22506E-02 -0.31843E+00 1704 0.217E+00 0.401E-01 DAV: 2 -0.242870688643E+04 -0.61633E-02 -0.71014E-02 1959 0.293E-01 0.228E-01 DAV: 3 -0.242870655493E+04 0.33150E-03 -0.36257E-03 2211 0.594E-02 0.186E-01 DAV: 4 -0.242870637373E+04 0.18120E-03 -0.40624E-03 2310 0.463E-02 0.148E-01 DAV: 5 -0.242870623654E+04 0.13720E-03 -0.21841E-03 2175 0.473E-02 0.750E-02 DAV: 6 -0.242870617844E+04 0.58099E-04 -0.68106E-04 2040 0.267E-02 0.303E-02 DAV: 7 -0.242870617308E+04 0.53612E-05 -0.96170E-05 1968 0.117E-02 147 F= -.24287062E+04 E0= -.24287903E+04 d E =-.320112E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242870488760E+04 0.12908E-02 -0.10026E+00 1704 0.122E+00 0.230E-01 DAV: 2 -0.242870686784E+04 -0.19802E-02 -0.22691E-02 1968 0.165E-01 0.129E-01 DAV: 3 -0.242870676795E+04 0.99893E-04 -0.11689E-03 2211 0.342E-02 0.105E-01 DAV: 4 -0.242870670657E+04 0.61380E-04 -0.12437E-03 2301 0.262E-02 0.821E-02 DAV: 5 -0.242870666929E+04 0.37282E-04 -0.73375E-04 2166 0.275E-02 0.474E-02 DAV: 6 -0.242870664364E+04 0.25652E-04 -0.23493E-04 2049 0.160E-02 0.178E-02 DAV: 7 -0.242870664131E+04 0.23275E-05 -0.34500E-05 1527 0.725E-03 148 F= -.24287066E+04 E0= -.24287906E+04 d E =-.366936E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242870391340E+04 0.27302E-02 -0.33707E+00 1704 0.224E+00 0.419E-01 DAV: 2 -0.242871052099E+04 -0.66076E-02 -0.75061E-02 1941 0.302E-01 0.241E-01 DAV: 3 -0.242871015755E+04 0.36344E-03 -0.37165E-03 2130 0.637E-02 0.185E-01 DAV: 4 -0.242870986062E+04 0.29693E-03 -0.27471E-03 2157 0.461E-02 0.127E-01 DAV: 5 -0.242870981633E+04 0.44290E-04 -0.21111E-03 2175 0.471E-02 0.982E-02 DAV: 6 -0.242870971091E+04 0.10542E-03 -0.88078E-04 2148 0.269E-02 0.318E-02 DAV: 7 -0.242870970947E+04 0.14403E-05 -0.10045E-04 1968 0.119E-02 0.210E-02 DAV: 8 -0.242870970040E+04 0.90706E-05 -0.40281E-05 1734 0.992E-03 149 F= -.24287097E+04 E0= -.24287940E+04 d E =-.305909E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242870896710E+04 0.74238E-03 -0.55505E-01 1704 0.908E-01 0.171E-01 DAV: 2 -0.242871004761E+04 -0.10805E-02 -0.12401E-02 1941 0.123E-01 0.980E-02 DAV: 3 -0.242870998332E+04 0.64288E-04 -0.66851E-04 2175 0.269E-02 0.768E-02 DAV: 4 -0.242870992906E+04 0.54264E-04 -0.52100E-04 2238 0.198E-02 0.544E-02 DAV: 5 -0.242870990963E+04 0.19427E-04 -0.38738E-04 2121 0.222E-02 0.446E-02 DAV: 6 -0.242870988266E+04 0.26968E-04 -0.17670E-04 2076 0.136E-02 0.140E-02 DAV: 7 -0.242870987950E+04 0.31648E-05 -0.23483E-05 1527 0.663E-03 150 F= -.24287099E+04 E0= -.24287946E+04 d E =-.323819E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242870770353E+04 0.21791E-02 -0.29629E+00 1704 0.209E+00 0.378E-01 DAV: 2 -0.242871348536E+04 -0.57818E-02 -0.65374E-02 1941 0.281E-01 0.225E-01 DAV: 3 -0.242871318751E+04 0.29784E-03 -0.35014E-03 2184 0.574E-02 0.178E-01 DAV: 4 -0.242871296094E+04 0.22658E-03 -0.30252E-03 2274 0.421E-02 0.128E-01 DAV: 5 -0.242871295532E+04 0.56157E-05 -0.21314E-03 2157 0.440E-02 0.101E-01 DAV: 6 -0.242871283188E+04 0.12344E-03 -0.78531E-04 2076 0.267E-02 0.272E-02 DAV: 7 -0.242871283648E+04 -0.45974E-05 -0.96913E-05 1896 0.108E-02 151 F= -.24287128E+04 E0= -.24287975E+04 d E =-.295698E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242871024593E+04 0.25859E-02 -0.18877E+00 1704 0.167E+00 0.305E-01 DAV: 2 -0.242871398080E+04 -0.37349E-02 -0.41995E-02 1941 0.225E-01 0.179E-01 DAV: 3 -0.242871379739E+04 0.18342E-03 -0.21906E-03 2184 0.459E-02 0.142E-01 DAV: 4 -0.242871365714E+04 0.14025E-03 -0.19095E-03 2265 0.338E-02 0.102E-01 DAV: 5 -0.242871365554E+04 0.15979E-05 -0.13616E-03 2148 0.352E-02 0.806E-02 DAV: 6 -0.242871357670E+04 0.78842E-04 -0.48389E-04 2076 0.213E-02 0.218E-02 DAV: 7 -0.242871357910E+04 -0.24057E-05 -0.60639E-05 1788 0.889E-03 152 F= -.24287136E+04 E0= -.24287981E+04 d E =-.369961E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242871090894E+04 0.26678E-02 -0.35452E+00 1704 0.229E+00 0.424E-01 DAV: 2 -0.242871777695E+04 -0.68680E-02 -0.78407E-02 1950 0.309E-01 0.246E-01 DAV: 3 -0.242871750013E+04 0.27681E-03 -0.50218E-03 2283 0.648E-02 0.222E-01 DAV: 4 -0.242871720450E+04 0.29563E-03 -0.57447E-03 2355 0.497E-02 0.157E-01 DAV: 5 -0.242871706457E+04 0.13993E-03 -0.19235E-03 2085 0.503E-02 0.709E-02 DAV: 6 -0.242871701339E+04 0.51183E-04 -0.56973E-04 2058 0.275E-02 0.320E-02 DAV: 7 -0.242871700309E+04 0.10295E-04 -0.88199E-05 2013 0.122E-02 0.218E-02 DAV: 8 -0.242871699578E+04 0.73191E-05 -0.43022E-05 1788 0.936E-03 153 F= -.24287170E+04 E0= -.24288017E+04 d E =-.341667E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242871500369E+04 0.19994E-02 -0.13501E+00 1704 0.141E+00 0.262E-01 DAV: 2 -0.242871761358E+04 -0.26099E-02 -0.29793E-02 1950 0.190E-01 0.152E-01 DAV: 3 -0.242871750973E+04 0.10385E-03 -0.19665E-03 2283 0.405E-02 0.138E-01 DAV: 4 -0.242871739089E+04 0.11885E-03 -0.21132E-03 2346 0.310E-02 0.965E-02 DAV: 5 -0.242871732800E+04 0.62885E-04 -0.73099E-04 2094 0.320E-02 0.419E-02 DAV: 6 -0.242871730955E+04 0.18455E-04 -0.22625E-04 2058 0.175E-02 0.198E-02 DAV: 7 -0.242871730436E+04 0.51883E-05 -0.35621E-05 1734 0.808E-03 154 F= -.24287173E+04 E0= -.24288020E+04 d E =-.372526E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242871567163E+04 0.16379E-02 -0.24362E+00 1704 0.190E+00 0.340E-01 DAV: 2 -0.242872031955E+04 -0.46479E-02 -0.52546E-02 1923 0.252E-01 0.192E-01 DAV: 3 -0.242872006198E+04 0.25756E-03 -0.15029E-03 2139 0.438E-02 0.142E-01 DAV: 4 -0.242872010730E+04 -0.45316E-04 -0.32363E-03 2445 0.428E-02 0.154E-01 DAV: 5 -0.242871986384E+04 0.24346E-03 -0.16880E-03 2202 0.392E-02 0.354E-02 DAV: 6 -0.242871988339E+04 -0.19553E-04 -0.30231E-04 2004 0.174E-02 0.256E-02 DAV: 7 -0.242871987761E+04 0.57823E-05 -0.36024E-05 1563 0.775E-03 155 F= -.24287199E+04 E0= -.24288049E+04 d E =-.257325E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242871475059E+04 0.51328E-02 -0.36226E+00 1704 0.232E+00 0.416E-01 DAV: 2 -0.242872166410E+04 -0.69135E-02 -0.78119E-02 1923 0.308E-01 0.234E-01 DAV: 3 -0.242872128809E+04 0.37601E-03 -0.21843E-03 2130 0.550E-02 0.175E-01 DAV: 4 -0.242872132001E+04 -0.31917E-04 -0.45417E-03 2436 0.527E-02 0.182E-01 DAV: 5 -0.242872098156E+04 0.33845E-03 -0.25415E-03 2193 0.492E-02 0.509E-02 DAV: 6 -0.242872099560E+04 -0.14046E-04 -0.51435E-04 2004 0.230E-02 0.337E-02 DAV: 7 -0.242872098368E+04 0.11919E-04 -0.67768E-05 1959 0.104E-02 0.216E-02 DAV: 8 -0.242872097671E+04 0.69709E-05 -0.28476E-05 1473 0.768E-03 156 F= -.24287210E+04 E0= -.24288067E+04 d E =-.367235E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242872091563E+04 0.68054E-04 -0.19318E+00 1704 0.169E+00 0.328E-01 DAV: 2 -0.242872469119E+04 -0.37756E-02 -0.43426E-02 1950 0.230E-01 0.182E-01 DAV: 3 -0.242872454599E+04 0.14521E-03 -0.34214E-03 2310 0.500E-02 0.168E-01 DAV: 4 -0.242872432666E+04 0.21933E-03 -0.27350E-03 2373 0.383E-02 0.113E-01 DAV: 5 -0.242872425823E+04 0.68433E-04 -0.10991E-03 2013 0.359E-02 0.468E-02 DAV: 6 -0.242872424003E+04 0.18199E-04 -0.27781E-04 2049 0.186E-02 0.214E-02 DAV: 7 -0.242872423586E+04 0.41682E-05 -0.38417E-05 1653 0.819E-03 157 F= -.24287242E+04 E0= -.24288095E+04 d E =-.325914E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242872364230E+04 0.59772E-03 -0.62827E-01 1704 0.965E-01 0.189E-01 DAV: 2 -0.242872488446E+04 -0.12422E-02 -0.14243E-02 1950 0.132E-01 0.104E-01 DAV: 3 -0.242872483506E+04 0.49406E-04 -0.10894E-03 2319 0.284E-02 0.956E-02 DAV: 4 -0.242872476745E+04 0.67603E-04 -0.94692E-04 2382 0.219E-02 0.654E-02 DAV: 5 -0.242872474693E+04 0.20521E-04 -0.35976E-04 2040 0.208E-02 0.312E-02 DAV: 6 -0.242872473609E+04 0.10841E-04 -0.95631E-05 2004 0.113E-02 0.121E-02 DAV: 7 -0.242872473434E+04 0.17479E-05 -0.12958E-05 1104 0.528E-03 158 F= -.24287247E+04 E0= -.24288095E+04 d E =-.375763E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242872506308E+04 -0.32699E-03 -0.12803E+00 1704 0.138E+00 0.264E-01 DAV: 2 -0.242872751687E+04 -0.24538E-02 -0.28537E-02 1968 0.188E-01 0.152E-01 DAV: 3 -0.242872742734E+04 0.89530E-04 -0.20958E-03 2283 0.432E-02 0.138E-01 DAV: 4 -0.242872726938E+04 0.15796E-03 -0.16477E-03 2319 0.333E-02 0.917E-02 DAV: 5 -0.242872721844E+04 0.50935E-04 -0.84739E-04 2067 0.298E-02 0.400E-02 DAV: 6 -0.242872720514E+04 0.13307E-04 -0.21983E-04 2040 0.158E-02 0.202E-02 DAV: 7 -0.242872719974E+04 0.54015E-05 -0.33082E-05 1527 0.768E-03 159 F= -.24287272E+04 E0= -.24288115E+04 d E =-.246539E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242872673453E+04 0.47060E-03 -0.53668E-01 1704 0.892E-01 0.173E-01 DAV: 2 -0.242872777368E+04 -0.10391E-02 -0.12064E-02 1977 0.122E-01 0.988E-02 DAV: 3 -0.242872773258E+04 0.41095E-04 -0.80467E-04 2283 0.287E-02 0.886E-02 DAV: 4 -0.242872766587E+04 0.66712E-04 -0.69294E-04 2310 0.221E-02 0.600E-02 DAV: 5 -0.242872763852E+04 0.27355E-04 -0.36961E-04 2058 0.207E-02 0.287E-02 DAV: 6 -0.242872762952E+04 0.89933E-05 -0.10960E-04 2040 0.115E-02 0.140E-02 DAV: 7 -0.242872762569E+04 0.38327E-05 -0.16391E-05 1221 0.598E-03 160 F= -.24287276E+04 E0= -.24288114E+04 d E =-.289135E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242872794324E+04 -0.31372E-03 -0.10892E+00 1704 0.127E+00 0.247E-01 DAV: 2 -0.242873005287E+04 -0.21096E-02 -0.24297E-02 1977 0.172E-01 0.135E-01 DAV: 3 -0.242872991648E+04 0.13639E-03 -0.98011E-04 2184 0.322E-02 0.102E-01 DAV: 4 -0.242872991358E+04 0.28952E-05 -0.17376E-03 2490 0.286E-02 0.103E-01 DAV: 5 -0.242872981450E+04 0.99084E-04 -0.73700E-04 2184 0.268E-02 0.324E-02 DAV: 6 -0.242872981441E+04 0.83441E-07 -0.13660E-04 2022 0.134E-02 0.175E-02 DAV: 7 -0.242872981095E+04 0.34619E-05 -0.20166E-05 1293 0.639E-03 161 F= -.24287298E+04 E0= -.24288140E+04 d E =-.218526E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242872957379E+04 0.24062E-03 -0.31427E-01 1716 0.683E-01 0.134E-01 DAV: 2 -0.242873018854E+04 -0.61475E-03 -0.70748E-03 1977 0.932E-02 0.723E-02 DAV: 3 -0.242873014709E+04 0.41454E-04 -0.26761E-04 2175 0.178E-02 0.538E-02 DAV: 4 -0.242873014613E+04 0.95734E-06 -0.48020E-04 2274 0.160E-02 0.559E-02 DAV: 5 -0.242873011385E+04 0.32285E-04 -0.23323E-04 2094 0.154E-02 0.192E-02 DAV: 6 -0.242873011216E+04 0.16912E-05 -0.44724E-05 1644 0.788E-03 162 F= -.24287301E+04 E0= -.24288148E+04 d E =-.248646E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242873034138E+04 -0.22753E-03 -0.11897E+00 1704 0.133E+00 0.257E-01 DAV: 2 -0.242873258694E+04 -0.22456E-02 -0.26204E-02 1977 0.180E-01 0.140E-01 DAV: 3 -0.242873243123E+04 0.15571E-03 -0.10833E-03 2148 0.341E-02 0.103E-01 DAV: 4 -0.242873243247E+04 -0.12406E-05 -0.18442E-03 2418 0.302E-02 0.106E-01 DAV: 5 -0.242873233527E+04 0.97201E-04 -0.95971E-04 2256 0.281E-02 0.392E-02 DAV: 6 -0.242873232809E+04 0.71836E-05 -0.20088E-04 2040 0.146E-02 0.186E-02 DAV: 7 -0.242873232516E+04 0.29263E-05 -0.24606E-05 1365 0.662E-03 163 F= -.24287323E+04 E0= -.24288172E+04 d E =-.221301E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242873201424E+04 0.31385E-03 -0.38090E-01 1716 0.751E-01 0.147E-01 DAV: 2 -0.242873274632E+04 -0.73208E-03 -0.84606E-03 1977 0.102E-01 0.795E-02 DAV: 3 -0.242873269798E+04 0.48347E-04 -0.33701E-04 2157 0.195E-02 0.583E-02 DAV: 4 -0.242873269575E+04 0.22243E-05 -0.54008E-04 2274 0.170E-02 0.582E-02 DAV: 5 -0.242873266966E+04 0.26088E-04 -0.32440E-04 2184 0.160E-02 0.258E-02 DAV: 6 -0.242873266465E+04 0.50101E-05 -0.63383E-05 1599 0.848E-03 164 F= -.24287327E+04 E0= -.24288175E+04 d E =-.255250E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242873265764E+04 0.12026E-04 -0.14000E+00 1704 0.144E+00 0.288E-01 DAV: 2 -0.242873531226E+04 -0.26546E-02 -0.30833E-02 1977 0.196E-01 0.158E-01 DAV: 3 -0.242873515797E+04 0.15429E-03 -0.13268E-03 2139 0.438E-02 0.125E-01 DAV: 4 -0.242873504876E+04 0.10921E-03 -0.12147E-03 2301 0.354E-02 0.967E-02 DAV: 5 -0.242873502572E+04 0.23048E-04 -0.13865E-03 2175 0.327E-02 0.733E-02 DAV: 6 -0.242873496605E+04 0.59668E-04 -0.45715E-04 2085 0.183E-02 0.211E-02 DAV: 7 -0.242873496604E+04 0.87748E-08 -0.47955E-05 1752 0.897E-03 165 F= -.24287350E+04 E0= -.24288194E+04 d E =-.230139E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242873474832E+04 0.21773E-03 -0.24894E-01 1716 0.608E-01 0.123E-01 DAV: 2 -0.242873523010E+04 -0.48178E-03 -0.55473E-03 1986 0.832E-02 0.664E-02 DAV: 3 -0.242873520063E+04 0.29474E-04 -0.21173E-04 2121 0.185E-02 0.514E-02 DAV: 4 -0.242873518322E+04 0.17411E-04 -0.20825E-04 2067 0.152E-02 0.406E-02 DAV: 5 -0.242873517564E+04 0.75769E-05 -0.22708E-04 2040 0.142E-02 0.296E-02 DAV: 6 -0.242873516566E+04 0.99764E-05 -0.81979E-05 1527 0.803E-03 166 F= -.24287352E+04 E0= -.24288193E+04 d E =-.250101E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242873485485E+04 0.32079E-03 -0.15209E+00 1704 0.150E+00 0.297E-01 DAV: 2 -0.242873770455E+04 -0.28497E-02 -0.33722E-02 1968 0.203E-01 0.168E-01 DAV: 3 -0.242873753424E+04 0.17031E-03 -0.23276E-03 2247 0.458E-02 0.136E-01 DAV: 4 -0.242873743928E+04 0.94964E-04 -0.21239E-03 2337 0.359E-02 0.112E-01 DAV: 5 -0.242873737547E+04 0.63810E-04 -0.13400E-03 2157 0.340E-02 0.562E-02 DAV: 6 -0.242873734081E+04 0.34660E-04 -0.38741E-04 2058 0.192E-02 0.209E-02 DAV: 7 -0.242873733824E+04 0.25697E-05 -0.46817E-05 1761 0.853E-03 167 F= -.24287373E+04 E0= -.24288219E+04 d E =-.217257E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242873717895E+04 0.16185E-03 -0.17459E-01 1716 0.509E-01 0.103E-01 DAV: 2 -0.242873751601E+04 -0.33706E-03 -0.39345E-03 1968 0.696E-02 0.567E-02 DAV: 3 -0.242873749439E+04 0.21623E-04 -0.21678E-04 2166 0.158E-02 0.445E-02 DAV: 4 -0.242873748561E+04 0.87792E-05 -0.23674E-04 1869 0.128E-02 0.383E-02 DAV: 5 -0.242873747563E+04 0.99793E-05 -0.16119E-04 1986 0.127E-02 0.204E-02 DAV: 6 -0.242873747027E+04 0.53615E-05 -0.47034E-05 1455 0.730E-03 168 F= -.24287375E+04 E0= -.24288222E+04 d E =-.230461E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242873757025E+04 -0.94613E-04 -0.13217E+00 1704 0.140E+00 0.270E-01 DAV: 2 -0.242873999464E+04 -0.24244E-02 -0.28827E-02 1959 0.188E-01 0.151E-01 DAV: 3 -0.242873981559E+04 0.17905E-03 -0.13168E-03 2094 0.375E-02 0.105E-01 DAV: 4 -0.242873977493E+04 0.40661E-04 -0.13287E-03 2292 0.312E-02 0.902E-02 DAV: 5 -0.242873974084E+04 0.34082E-04 -0.12463E-03 2247 0.279E-02 0.624E-02 DAV: 6 -0.242873970046E+04 0.40384E-04 -0.33045E-04 2103 0.160E-02 0.205E-02 DAV: 7 -0.242873970074E+04 -0.27768E-06 -0.40414E-05 1617 0.769E-03 169 F= -.24287397E+04 E0= -.24288243E+04 d E =-.223047E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242873918772E+04 0.51275E-03 -0.56589E-01 1704 0.914E-01 0.179E-01 DAV: 2 -0.242874024396E+04 -0.10562E-02 -0.12421E-02 1959 0.123E-01 0.981E-02 DAV: 3 -0.242874016650E+04 0.77461E-04 -0.46771E-04 2094 0.241E-02 0.669E-02 DAV: 4 -0.242874015153E+04 0.14971E-04 -0.47503E-04 2220 0.207E-02 0.547E-02 DAV: 5 -0.242874012814E+04 0.23387E-04 -0.38054E-04 2166 0.176E-02 0.312E-02 DAV: 6 -0.242874011959E+04 0.85596E-05 -0.11070E-04 1716 0.928E-03 0.144E-02 DAV: 7 -0.242874011809E+04 0.14993E-05 -0.15650E-05 1131 0.507E-03 170 F= -.24287401E+04 E0= -.24288245E+04 d E =-.264782E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242873991629E+04 0.20330E-03 -0.15397E+00 1704 0.151E+00 0.290E-01 DAV: 2 -0.242874272862E+04 -0.28123E-02 -0.32855E-02 1968 0.202E-01 0.157E-01 DAV: 3 -0.242874249304E+04 0.23558E-03 -0.58735E-04 2076 0.342E-02 0.970E-02 DAV: 4 -0.242874245052E+04 0.42512E-04 -0.65031E-04 2058 0.384E-02 0.574E-02 DAV: 5 -0.242874242029E+04 0.30240E-04 -0.37587E-04 2130 0.223E-02 0.339E-02 DAV: 6 -0.242874241089E+04 0.93922E-05 -0.99125E-05 1779 0.974E-03 171 F= -.24287424E+04 E0= -.24288263E+04 d E =-.229281E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242874198628E+04 0.43401E-03 -0.45548E-01 1704 0.820E-01 0.163E-01 DAV: 2 -0.242874284021E+04 -0.85394E-03 -0.99326E-03 1968 0.111E-01 0.869E-02 DAV: 3 -0.242874278671E+04 0.53501E-04 -0.34725E-04 2139 0.213E-02 0.642E-02 DAV: 4 -0.242874280011E+04 -0.13399E-04 -0.69786E-04 2355 0.206E-02 0.749E-02 DAV: 5 -0.242874274309E+04 0.57025E-04 -0.43713E-04 2229 0.183E-02 0.150E-02 DAV: 6 -0.242874274802E+04 -0.49326E-05 -0.49069E-05 1689 0.817E-03 172 F= -.24287427E+04 E0= -.24288264E+04 d E =-.262993E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242874230633E+04 0.43676E-03 -0.15492E+00 1704 0.151E+00 0.292E-01 DAV: 2 -0.242874526704E+04 -0.29607E-02 -0.34371E-02 1977 0.206E-01 0.173E-01 DAV: 3 -0.242874518151E+04 0.85524E-04 -0.30747E-03 2310 0.488E-02 0.162E-01 DAV: 4 -0.242874495980E+04 0.22171E-03 -0.21856E-03 2337 0.366E-02 0.996E-02 DAV: 5 -0.242874491400E+04 0.45796E-04 -0.10178E-03 2031 0.333E-02 0.384E-02 DAV: 6 -0.242874489994E+04 0.14062E-04 -0.29157E-04 2058 0.168E-02 0.201E-02 DAV: 7 -0.242874489518E+04 0.47659E-05 -0.34105E-05 1626 0.836E-03 173 F= -.24287449E+04 E0= -.24288286E+04 d E =-.214716E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242874467784E+04 0.22210E-03 -0.21626E-01 1716 0.566E-01 0.110E-01 DAV: 2 -0.242874509889E+04 -0.42105E-03 -0.48562E-03 1977 0.774E-02 0.638E-02 DAV: 3 -0.242874508390E+04 0.14991E-04 -0.35787E-04 2274 0.182E-02 0.589E-02 DAV: 4 -0.242874505632E+04 0.27587E-04 -0.31382E-04 1914 0.139E-02 0.389E-02 DAV: 5 -0.242874504497E+04 0.11347E-04 -0.15826E-04 2031 0.141E-02 0.163E-02 DAV: 6 -0.242874504160E+04 0.33700E-05 -0.49211E-05 1572 0.729E-03 174 F= -.24287450E+04 E0= -.24288290E+04 d E =-.229358E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242874462231E+04 0.42266E-03 -0.15165E+00 1704 0.150E+00 0.287E-01 DAV: 2 -0.242874746711E+04 -0.28448E-02 -0.32962E-02 1941 0.201E-01 0.161E-01 DAV: 3 -0.242874731980E+04 0.14730E-03 -0.18214E-03 2229 0.411E-02 0.133E-01 DAV: 4 -0.242874724891E+04 0.70888E-04 -0.20514E-03 2409 0.346E-02 0.114E-01 DAV: 5 -0.242874714710E+04 0.10181E-03 -0.11142E-03 2121 0.324E-02 0.336E-02 DAV: 6 -0.242874714773E+04 -0.62711E-06 -0.22477E-04 2022 0.159E-02 0.207E-02 DAV: 7 -0.242874714315E+04 0.45788E-05 -0.28469E-05 1392 0.727E-03 175 F= -.24287471E+04 E0= -.24288310E+04 d E =-.210155E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242874645159E+04 0.69614E-03 -0.64076E-01 1704 0.975E-01 0.188E-01 DAV: 2 -0.242874766919E+04 -0.12176E-02 -0.14005E-02 1941 0.131E-01 0.104E-01 DAV: 3 -0.242874760221E+04 0.66988E-04 -0.70344E-04 2211 0.263E-02 0.837E-02 DAV: 4 -0.242874758127E+04 0.20938E-04 -0.91662E-04 2346 0.225E-02 0.763E-02 DAV: 5 -0.242874753304E+04 0.48230E-04 -0.46758E-04 2139 0.215E-02 0.249E-02 DAV: 6 -0.242874753138E+04 0.16608E-05 -0.88501E-05 1995 0.108E-02 176 F= -.24287475E+04 E0= -.24288313E+04 d E =-.248978E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242874723587E+04 0.29717E-03 -0.15826E+00 1704 0.153E+00 0.291E-01 DAV: 2 -0.242875022800E+04 -0.29921E-02 -0.34825E-02 1941 0.206E-01 0.173E-01 DAV: 3 -0.242875013557E+04 0.92427E-04 -0.29946E-03 2337 0.462E-02 0.165E-01 DAV: 4 -0.242874993879E+04 0.19679E-03 -0.29459E-03 2373 0.356E-02 0.105E-01 DAV: 5 -0.242874987073E+04 0.68060E-04 -0.79443E-04 2031 0.331E-02 0.346E-02 DAV: 6 -0.242874986628E+04 0.44495E-05 -0.24952E-04 2013 0.165E-02 0.210E-02 DAV: 7 -0.242874986145E+04 0.48256E-05 -0.27279E-05 1383 0.720E-03 177 F= -.24287499E+04 E0= -.24288338E+04 d E =-.233007E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242874892554E+04 0.94074E-03 -0.88085E-01 1704 0.114E+00 0.218E-01 DAV: 2 -0.242875061051E+04 -0.16850E-02 -0.19485E-02 1941 0.154E-01 0.130E-01 DAV: 3 -0.242875055937E+04 0.51136E-04 -0.17365E-03 2337 0.345E-02 0.124E-01 DAV: 4 -0.242875044671E+04 0.11266E-03 -0.16347E-03 2355 0.266E-02 0.784E-02 DAV: 5 -0.242875041229E+04 0.34423E-04 -0.43291E-04 2049 0.250E-02 0.295E-02 DAV: 6 -0.242875040587E+04 0.64262E-05 -0.13697E-04 2031 0.130E-02 0.160E-02 DAV: 7 -0.242875040271E+04 0.31538E-05 -0.17292E-05 1185 0.576E-03 178 F= -.24287504E+04 E0= -.24288344E+04 d E =-.287133E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242874949137E+04 0.91449E-03 -0.19702E+00 1704 0.171E+00 0.318E-01 DAV: 2 -0.242875318268E+04 -0.36913E-02 -0.43021E-02 1959 0.230E-01 0.185E-01 DAV: 3 -0.242875300716E+04 0.17552E-03 -0.27387E-03 2256 0.469E-02 0.160E-01 DAV: 4 -0.242875288731E+04 0.11985E-03 -0.32960E-03 2418 0.386E-02 0.127E-01 DAV: 5 -0.242875276084E+04 0.12647E-03 -0.11814E-03 2067 0.366E-02 0.410E-02 DAV: 6 -0.242875275352E+04 0.73215E-05 -0.41924E-04 2040 0.187E-02 0.222E-02 DAV: 7 -0.242875274863E+04 0.48894E-05 -0.38060E-05 1671 0.816E-03 179 F= -.24287527E+04 E0= -.24288375E+04 d E =-.234592E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242875212438E+04 0.62914E-03 -0.55423E-01 1704 0.905E-01 0.171E-01 DAV: 2 -0.242875317685E+04 -0.10525E-02 -0.12236E-02 1968 0.123E-01 0.986E-02 DAV: 3 -0.242875312721E+04 0.49640E-04 -0.82569E-04 2265 0.255E-02 0.849E-02 DAV: 4 -0.242875309044E+04 0.36772E-04 -0.91696E-04 2364 0.208E-02 0.675E-02 DAV: 5 -0.242875305290E+04 0.37540E-04 -0.32170E-04 2058 0.209E-02 0.251E-02 DAV: 6 -0.242875304655E+04 0.63516E-05 -0.11707E-04 2040 0.114E-02 0.131E-02 DAV: 7 -0.242875304365E+04 0.28991E-05 -0.14347E-05 1203 0.534E-03 180 F= -.24287530E+04 E0= -.24288384E+04 d E =-.264094E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242875263338E+04 0.41317E-03 -0.16331E+00 1704 0.156E+00 0.288E-01 DAV: 2 -0.242875569435E+04 -0.30610E-02 -0.35098E-02 1932 0.208E-01 0.167E-01 DAV: 3 -0.242875559925E+04 0.95100E-04 -0.24990E-03 2283 0.442E-02 0.153E-01 DAV: 4 -0.242875542273E+04 0.17652E-03 -0.20766E-03 2337 0.351E-02 0.103E-01 DAV: 5 -0.242875535427E+04 0.68460E-04 -0.84105E-04 1986 0.321E-02 0.240E-02 DAV: 6 -0.242875535914E+04 -0.48688E-05 -0.16707E-04 1986 0.139E-02 0.193E-02 DAV: 7 -0.242875535479E+04 0.43442E-05 -0.20317E-05 1086 0.655E-03 181 F= -.24287554E+04 E0= -.24288404E+04 d E =-.231114E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242875238658E+04 0.29726E-02 -0.23110E+00 1704 0.185E+00 0.344E-01 DAV: 2 -0.242875672235E+04 -0.43358E-02 -0.49785E-02 1932 0.247E-01 0.199E-01 DAV: 3 -0.242875657384E+04 0.14851E-03 -0.35233E-03 2274 0.525E-02 0.179E-01 DAV: 4 -0.242875633258E+04 0.24126E-03 -0.28762E-03 2355 0.416E-02 0.123E-01 DAV: 5 -0.242875622830E+04 0.10428E-03 -0.11839E-03 2031 0.391E-02 0.359E-02 DAV: 6 -0.242875622756E+04 0.74286E-06 -0.26875E-04 2049 0.182E-02 0.249E-02 DAV: 7 -0.242875621849E+04 0.90631E-05 -0.35033E-05 1653 0.890E-03 182 F= -.24287562E+04 E0= -.24288407E+04 d E =-.317484E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242875553795E+04 0.68961E-03 -0.17322E+00 1704 0.160E+00 0.292E-01 DAV: 2 -0.242875878382E+04 -0.32459E-02 -0.37196E-02 1932 0.213E-01 0.174E-01 DAV: 3 -0.242875866973E+04 0.11409E-03 -0.26595E-03 2301 0.460E-02 0.154E-01 DAV: 4 -0.242875849633E+04 0.17339E-03 -0.20625E-03 2328 0.364E-02 0.107E-01 DAV: 5 -0.242875843990E+04 0.56430E-04 -0.10629E-03 2085 0.351E-02 0.468E-02 DAV: 6 -0.242875841428E+04 0.25626E-04 -0.30517E-04 2049 0.184E-02 0.212E-02 DAV: 7 -0.242875840885E+04 0.54257E-05 -0.38561E-05 1797 0.854E-03 183 F= -.24287584E+04 E0= -.24288422E+04 d E =-.219036E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242875506707E+04 0.33472E-02 -0.25855E+00 1704 0.195E+00 0.356E-01 DAV: 2 -0.242875991688E+04 -0.48498E-02 -0.55346E-02 1932 0.260E-01 0.213E-01 DAV: 3 -0.242875975124E+04 0.16564E-03 -0.38141E-03 2301 0.573E-02 0.188E-01 DAV: 4 -0.242875947266E+04 0.27858E-03 -0.28612E-03 2328 0.450E-02 0.127E-01 DAV: 5 -0.242875941236E+04 0.60305E-04 -0.16890E-03 2103 0.428E-02 0.649E-02 DAV: 6 -0.242875936336E+04 0.48998E-04 -0.44723E-04 2049 0.224E-02 0.266E-02 DAV: 7 -0.242875935694E+04 0.64136E-05 -0.60977E-05 1950 0.101E-02 184 F= -.24287594E+04 E0= -.24288424E+04 d E =-.313845E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242875807460E+04 0.12888E-02 -0.23682E+00 1704 0.187E+00 0.347E-01 DAV: 2 -0.242876250828E+04 -0.44337E-02 -0.50968E-02 1941 0.250E-01 0.194E-01 DAV: 3 -0.242876218867E+04 0.31961E-03 -0.12828E-03 2085 0.440E-02 0.128E-01 DAV: 4 -0.242876224617E+04 -0.57507E-04 -0.24193E-03 2337 0.456E-02 0.143E-01 DAV: 5 -0.242876207281E+04 0.17336E-03 -0.23765E-03 2346 0.378E-02 0.659E-02 DAV: 6 -0.242876204539E+04 0.27424E-04 -0.38540E-04 2004 0.183E-02 0.269E-02 DAV: 7 -0.242876204063E+04 0.47616E-05 -0.63891E-05 1860 0.986E-03 185 F= -.24287620E+04 E0= -.24288456E+04 d E =-.268368E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242876118060E+04 0.86479E-03 -0.75058E-01 1704 0.105E+00 0.197E-01 DAV: 2 -0.242876259207E+04 -0.14115E-02 -0.16254E-02 1950 0.141E-01 0.109E-01 DAV: 3 -0.242876248703E+04 0.10504E-03 -0.41289E-04 2085 0.257E-02 0.718E-02 DAV: 4 -0.242876249063E+04 -0.35957E-05 -0.74050E-04 2301 0.263E-02 0.723E-02 DAV: 5 -0.242876244231E+04 0.48314E-04 -0.67900E-04 2346 0.220E-02 0.384E-02 DAV: 6 -0.242876242985E+04 0.12460E-04 -0.13199E-04 1977 0.110E-02 0.160E-02 DAV: 7 -0.242876242663E+04 0.32198E-05 -0.20223E-05 1338 0.614E-03 186 F= -.24287624E+04 E0= -.24288466E+04 d E =-.306969E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242876134449E+04 0.10854E-02 -0.21100E+00 1704 0.177E+00 0.331E-01 DAV: 2 -0.242876528371E+04 -0.39392E-02 -0.45589E-02 1941 0.236E-01 0.190E-01 DAV: 3 -0.242876510196E+04 0.18175E-03 -0.28024E-03 2238 0.499E-02 0.162E-01 DAV: 4 -0.242876494577E+04 0.15619E-03 -0.26212E-03 2310 0.404E-02 0.125E-01 DAV: 5 -0.242876485047E+04 0.95307E-04 -0.15365E-03 2130 0.378E-02 0.476E-02 DAV: 6 -0.242876483318E+04 0.17285E-04 -0.39264E-04 2013 0.195E-02 0.228E-02 DAV: 7 -0.242876482855E+04 0.46345E-05 -0.42621E-05 1689 0.866E-03 187 F= -.24287648E+04 E0= -.24288491E+04 d E =-.240191E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242876373450E+04 0.10987E-02 -0.90503E-01 1704 0.116E+00 0.219E-01 DAV: 2 -0.242876544971E+04 -0.17152E-02 -0.19721E-02 1941 0.155E-01 0.125E-01 DAV: 3 -0.242876537478E+04 0.74923E-04 -0.12162E-03 2238 0.325E-02 0.106E-01 DAV: 4 -0.242876531035E+04 0.64430E-04 -0.12019E-03 2328 0.262E-02 0.821E-02 DAV: 5 -0.242876527285E+04 0.37507E-04 -0.62973E-04 2121 0.247E-02 0.341E-02 DAV: 6 -0.242876526245E+04 0.10400E-04 -0.15082E-04 2031 0.131E-02 0.152E-02 DAV: 7 -0.242876526014E+04 0.23091E-05 -0.18078E-05 1131 0.583E-03 188 F= -.24287653E+04 E0= -.24288494E+04 d E =-.283351E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242876344901E+04 0.18134E-02 -0.25916E+00 1704 0.196E+00 0.369E-01 DAV: 2 -0.242876826453E+04 -0.48155E-02 -0.55658E-02 1968 0.262E-01 0.211E-01 DAV: 3 -0.242876798694E+04 0.27759E-03 -0.23477E-03 2103 0.579E-02 0.164E-01 DAV: 4 -0.242876779840E+04 0.18854E-03 -0.18828E-03 2238 0.464E-02 0.125E-01 DAV: 5 -0.242876777853E+04 0.19866E-04 -0.26363E-03 2211 0.428E-02 0.104E-01 DAV: 6 -0.242876765540E+04 0.12313E-03 -0.99163E-04 2220 0.251E-02 0.267E-02 DAV: 7 -0.242876766133E+04 -0.59293E-05 -0.90821E-05 1968 0.114E-02 189 F= -.24287677E+04 E0= -.24288515E+04 d E =-.240119E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242876719444E+04 0.46096E-03 -0.38466E-01 1704 0.754E-01 0.145E-01 DAV: 2 -0.242876793031E+04 -0.73587E-03 -0.83894E-03 1968 0.102E-01 0.819E-02 DAV: 3 -0.242876788976E+04 0.40543E-04 -0.31256E-04 2112 0.226E-02 0.623E-02 DAV: 4 -0.242876785990E+04 0.29868E-04 -0.22669E-04 2094 0.180E-02 0.451E-02 DAV: 5 -0.242876785687E+04 0.30225E-05 -0.33070E-04 2202 0.170E-02 0.404E-02 DAV: 6 -0.242876783846E+04 0.18409E-04 -0.15702E-04 1761 0.101E-02 0.108E-02 DAV: 7 -0.242876783879E+04 -0.32838E-06 -0.13651E-05 1212 0.492E-03 190 F= -.24287678E+04 E0= -.24288514E+04 d E =-.257865E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242876592990E+04 0.19086E-02 -0.27180E+00 1704 0.200E+00 0.372E-01 DAV: 2 -0.242877098878E+04 -0.50589E-02 -0.59035E-02 1941 0.267E-01 0.227E-01 DAV: 3 -0.242877080599E+04 0.18279E-03 -0.52966E-03 2319 0.593E-02 0.213E-01 DAV: 4 -0.242877048245E+04 0.32353E-03 -0.47735E-03 2382 0.455E-02 0.135E-01 DAV: 5 -0.242877040858E+04 0.73870E-04 -0.12084E-03 2067 0.429E-02 0.661E-02 DAV: 6 -0.242877035775E+04 0.50832E-04 -0.40743E-04 2040 0.242E-02 0.267E-02 DAV: 7 -0.242877035186E+04 0.58927E-05 -0.70191E-05 1977 0.100E-02 191 F= -.24287704E+04 E0= -.24288547E+04 d E =-.251307E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242876984964E+04 0.50811E-03 -0.42565E-01 1704 0.792E-01 0.151E-01 DAV: 2 -0.242877066449E+04 -0.81485E-03 -0.94278E-03 1950 0.107E-01 0.902E-02 DAV: 3 -0.242877063884E+04 0.25647E-04 -0.86390E-04 2319 0.241E-02 0.840E-02 DAV: 4 -0.242877058516E+04 0.53687E-04 -0.70724E-04 2310 0.185E-02 0.532E-02 DAV: 5 -0.242877057020E+04 0.14958E-04 -0.18821E-04 2031 0.183E-02 0.272E-02 DAV: 6 -0.242877055960E+04 0.10598E-04 -0.69605E-05 1977 0.105E-02 0.114E-02 DAV: 7 -0.242877055715E+04 0.24567E-05 -0.12969E-05 1212 0.499E-03 192 F= -.24287706E+04 E0= -.24288555E+04 d E =-.271835E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242876812903E+04 0.24306E-02 -0.30269E+00 1704 0.211E+00 0.388E-01 DAV: 2 -0.242877374636E+04 -0.56173E-02 -0.65076E-02 1950 0.283E-01 0.231E-01 DAV: 3 -0.242877352046E+04 0.22590E-03 -0.39071E-03 2265 0.613E-02 0.207E-01 DAV: 4 -0.242877323196E+04 0.28850E-03 -0.42763E-03 2310 0.493E-02 0.144E-01 DAV: 5 -0.242877311104E+04 0.12092E-03 -0.18162E-03 2085 0.446E-02 0.608E-02 DAV: 6 -0.242877308102E+04 0.30017E-04 -0.53153E-04 2058 0.228E-02 0.276E-02 DAV: 7 -0.242877307528E+04 0.57452E-05 -0.66894E-05 1878 0.983E-03 193 F= -.24287731E+04 E0= -.24288582E+04 d E =-.251813E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242877282166E+04 0.25937E-03 -0.20974E-01 1704 0.556E-01 0.106E-01 DAV: 2 -0.242877323150E+04 -0.40984E-03 -0.46391E-03 1950 0.755E-02 0.612E-02 DAV: 3 -0.242877321929E+04 0.12209E-04 -0.26892E-04 2202 0.169E-02 0.546E-02 DAV: 4 -0.242877319802E+04 0.21270E-04 -0.26511E-04 1779 0.134E-02 0.377E-02 DAV: 5 -0.242877319235E+04 0.56677E-05 -0.14203E-04 1986 0.126E-02 0.196E-02 DAV: 6 -0.242877318818E+04 0.41662E-05 -0.40385E-05 1374 0.659E-03 194 F= -.24287732E+04 E0= -.24288582E+04 d E =-.263104E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242877077975E+04 0.24126E-02 -0.30486E+00 1704 0.212E+00 0.394E-01 DAV: 2 -0.242877640039E+04 -0.56206E-02 -0.64876E-02 1959 0.282E-01 0.221E-01 DAV: 3 -0.242877605565E+04 0.34473E-03 -0.22601E-03 2112 0.550E-02 0.165E-01 DAV: 4 -0.242877601983E+04 0.35825E-04 -0.30900E-03 2382 0.507E-02 0.166E-01 DAV: 5 -0.242877580011E+04 0.21972E-03 -0.29282E-03 2193 0.469E-02 0.742E-02 DAV: 6 -0.242877575642E+04 0.43692E-04 -0.67130E-04 2031 0.239E-02 0.309E-02 DAV: 7 -0.242877574971E+04 0.67098E-05 -0.82169E-05 1968 0.115E-02 195 F= -.24287757E+04 E0= -.24288598E+04 d E =-.256152E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242877503151E+04 0.72491E-03 -0.55012E-01 1704 0.901E-01 0.171E-01 DAV: 2 -0.242877607060E+04 -0.10391E-02 -0.11895E-02 1959 0.121E-01 0.939E-02 DAV: 3 -0.242877600606E+04 0.64535E-04 -0.32811E-04 2085 0.236E-02 0.676E-02 DAV: 4 -0.242877600267E+04 0.33893E-05 -0.47774E-04 2310 0.222E-02 0.683E-02 DAV: 5 -0.242877595854E+04 0.44137E-04 -0.49053E-04 2202 0.209E-02 0.344E-02 DAV: 6 -0.242877594818E+04 0.10360E-04 -0.13222E-04 1986 0.109E-02 0.141E-02 DAV: 7 -0.242877594554E+04 0.26414E-05 -0.15405E-05 1212 0.568E-03 196 F= -.24287759E+04 E0= -.24288593E+04 d E =-.275735E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242877447885E+04 0.14693E-02 -0.22955E+00 1704 0.184E+00 0.338E-01 DAV: 2 -0.242877875154E+04 -0.42727E-02 -0.48838E-02 1959 0.244E-01 0.194E-01 DAV: 3 -0.242877854434E+04 0.20720E-03 -0.20898E-03 2166 0.498E-02 0.156E-01 DAV: 4 -0.242877843103E+04 0.11331E-03 -0.23283E-03 2337 0.426E-02 0.132E-01 DAV: 5 -0.242877833307E+04 0.97954E-04 -0.19941E-03 2130 0.404E-02 0.668E-02 DAV: 6 -0.242877829093E+04 0.42141E-04 -0.49140E-04 2031 0.200E-02 0.255E-02 DAV: 7 -0.242877828773E+04 0.32022E-05 -0.54908E-05 1788 0.913E-03 197 F= -.24287783E+04 E0= -.24288616E+04 d E =-.234220E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242877646793E+04 0.18230E-02 -0.13875E+00 1704 0.143E+00 0.265E-01 DAV: 2 -0.242877908097E+04 -0.26130E-02 -0.29722E-02 1959 0.190E-01 0.151E-01 DAV: 3 -0.242877895931E+04 0.12165E-03 -0.12141E-03 2166 0.392E-02 0.121E-01 DAV: 4 -0.242877889177E+04 0.67540E-04 -0.13984E-03 2310 0.335E-02 0.102E-01 DAV: 5 -0.242877883039E+04 0.61381E-04 -0.11815E-03 2166 0.323E-02 0.528E-02 DAV: 6 -0.242877880446E+04 0.25936E-04 -0.30001E-04 2022 0.159E-02 0.203E-02 DAV: 7 -0.242877880146E+04 0.29925E-05 -0.32760E-05 1599 0.733E-03 198 F= -.24287788E+04 E0= -.24288623E+04 d E =-.285593E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242877640895E+04 0.23955E-02 -0.29962E+00 1704 0.210E+00 0.382E-01 DAV: 2 -0.242878196489E+04 -0.55559E-02 -0.63923E-02 1950 0.280E-01 0.215E-01 DAV: 3 -0.242878157447E+04 0.39042E-03 -0.14540E-03 2076 0.470E-02 0.138E-01 DAV: 4 -0.242878156307E+04 0.11401E-04 -0.21223E-03 2193 0.472E-02 0.115E-01 DAV: 5 -0.242878142422E+04 0.13885E-03 -0.17051E-03 2238 0.349E-02 0.501E-02 DAV: 6 -0.242878141386E+04 0.10359E-04 -0.32075E-04 2049 0.159E-02 0.289E-02 DAV: 7 -0.242878140745E+04 0.64147E-05 -0.52751E-05 1545 0.891E-03 199 F= -.24287814E+04 E0= -.24288653E+04 d E =-.260599E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242878058784E+04 0.82603E-03 -0.66068E-01 1704 0.987E-01 0.182E-01 DAV: 2 -0.242878183872E+04 -0.12509E-02 -0.14232E-02 1950 0.132E-01 0.101E-01 DAV: 3 -0.242878176012E+04 0.78601E-04 -0.29355E-04 2076 0.224E-02 0.652E-02 DAV: 4 -0.242878176902E+04 -0.89038E-05 -0.34592E-04 2148 0.229E-02 0.572E-02 DAV: 5 -0.242878172758E+04 0.41442E-04 -0.26532E-04 2112 0.185E-02 0.246E-02 DAV: 6 -0.242878172540E+04 0.21748E-05 -0.87328E-05 1725 0.826E-03 200 F= -.24287817E+04 E0= -.24288659E+04 d E =-.292394E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242877997538E+04 0.17522E-02 -0.25858E+00 1704 0.195E+00 0.368E-01 DAV: 2 -0.242878474747E+04 -0.47721E-02 -0.55529E-02 1950 0.261E-01 0.201E-01 DAV: 3 -0.242878439544E+04 0.35203E-03 -0.18277E-03 2085 0.476E-02 0.136E-01 DAV: 4 -0.242878438722E+04 0.82163E-05 -0.26645E-03 2274 0.451E-02 0.133E-01 DAV: 5 -0.242878423053E+04 0.15670E-03 -0.20394E-03 2283 0.411E-02 0.714E-02 DAV: 6 -0.242878419235E+04 0.38177E-04 -0.52109E-04 2058 0.207E-02 0.265E-02 DAV: 7 -0.242878418896E+04 0.33917E-05 -0.63928E-05 1905 0.974E-03 201 F= -.24287842E+04 E0= -.24288681E+04 d E =-.246356E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242878366499E+04 0.52736E-03 -0.45056E-01 1704 0.815E-01 0.156E-01 DAV: 2 -0.242878451336E+04 -0.84837E-03 -0.97887E-03 1959 0.110E-01 0.840E-02 DAV: 3 -0.242878444962E+04 0.63734E-04 -0.27082E-04 2085 0.204E-02 0.558E-02 DAV: 4 -0.242878444244E+04 0.71789E-05 -0.36604E-04 2175 0.192E-02 0.501E-02 DAV: 5 -0.242878441727E+04 0.25177E-04 -0.32488E-04 2211 0.173E-02 0.300E-02 DAV: 6 -0.242878440972E+04 0.75417E-05 -0.90777E-05 1734 0.875E-03 202 F= -.24287844E+04 E0= -.24288680E+04 d E =-.268432E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242878245361E+04 0.19637E-02 -0.25268E+00 1704 0.193E+00 0.355E-01 DAV: 2 -0.242878713702E+04 -0.46834E-02 -0.54296E-02 1959 0.258E-01 0.206E-01 DAV: 3 -0.242878684963E+04 0.28740E-03 -0.23239E-03 2112 0.509E-02 0.151E-01 DAV: 4 -0.242878673188E+04 0.11775E-03 -0.23204E-03 2229 0.404E-02 0.121E-01 DAV: 5 -0.242878666286E+04 0.69023E-04 -0.17157E-03 2175 0.386E-02 0.782E-02 DAV: 6 -0.242878660405E+04 0.58809E-04 -0.52422E-04 2085 0.224E-02 0.276E-02 DAV: 7 -0.242878660186E+04 0.21846E-05 -0.79946E-05 1896 0.995E-03 203 F= -.24287866E+04 E0= -.24288703E+04 d E =-.219214E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242878624945E+04 0.35460E-03 -0.29339E-01 1704 0.658E-01 0.124E-01 DAV: 2 -0.242878681149E+04 -0.56204E-03 -0.64360E-03 1959 0.889E-02 0.704E-02 DAV: 3 -0.242878677962E+04 0.31864E-04 -0.26342E-04 2121 0.178E-02 0.516E-02 DAV: 4 -0.242878676505E+04 0.14567E-04 -0.25791E-04 2040 0.143E-02 0.406E-02 DAV: 5 -0.242878675594E+04 0.91125E-05 -0.19287E-04 2022 0.137E-02 0.259E-02 DAV: 6 -0.242878674901E+04 0.69273E-05 -0.59579E-05 1545 0.785E-03 204 F= -.24287867E+04 E0= -.24288705E+04 d E =-.233929E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242878533269E+04 0.14233E-02 -0.22556E+00 1704 0.182E+00 0.333E-01 DAV: 2 -0.242878952141E+04 -0.41887E-02 -0.48121E-02 1950 0.243E-01 0.188E-01 DAV: 3 -0.242878923347E+04 0.28794E-03 -0.11753E-03 2076 0.428E-02 0.123E-01 DAV: 4 -0.242878920287E+04 0.30600E-04 -0.14232E-03 2121 0.406E-02 0.933E-02 DAV: 5 -0.242878909805E+04 0.10482E-03 -0.83815E-04 2058 0.319E-02 0.311E-02 DAV: 6 -0.242878909541E+04 0.26371E-05 -0.14748E-04 1995 0.138E-02 0.234E-02 DAV: 7 -0.242878908956E+04 0.58546E-05 -0.31561E-05 1356 0.756E-03 205 F= -.24287891E+04 E0= -.24288730E+04 d E =-.234054E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242878745972E+04 0.16357E-02 -0.12579E+00 1704 0.136E+00 0.250E-01 DAV: 2 -0.242878982812E+04 -0.23684E-02 -0.27100E-02 1950 0.182E-01 0.142E-01 DAV: 3 -0.242878968326E+04 0.14486E-03 -0.98360E-04 2139 0.331E-02 0.101E-01 DAV: 4 -0.242878968632E+04 -0.30592E-05 -0.16417E-03 2409 0.304E-02 0.102E-01 DAV: 5 -0.242878960283E+04 0.83488E-04 -0.95466E-04 2283 0.276E-02 0.419E-02 DAV: 6 -0.242878959045E+04 0.12384E-04 -0.19031E-04 2022 0.146E-02 0.179E-02 DAV: 7 -0.242878958796E+04 0.24821E-05 -0.28803E-05 1401 0.670E-03 206 F= -.24287896E+04 E0= -.24288737E+04 d E =-.283895E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242878719806E+04 0.23924E-02 -0.28791E+00 1704 0.206E+00 0.376E-01 DAV: 2 -0.242879258685E+04 -0.53888E-02 -0.61527E-02 1932 0.274E-01 0.208E-01 DAV: 3 -0.242879220091E+04 0.38594E-03 -0.13641E-03 2076 0.471E-02 0.136E-01 DAV: 4 -0.242879218942E+04 0.11491E-04 -0.21664E-03 2211 0.468E-02 0.116E-01 DAV: 5 -0.242879202522E+04 0.16420E-03 -0.14618E-03 2193 0.370E-02 0.418E-02 DAV: 6 -0.242879202479E+04 0.42743E-06 -0.25750E-04 2058 0.163E-02 0.293E-02 DAV: 7 -0.242879201612E+04 0.86653E-05 -0.50364E-05 1554 0.883E-03 207 F= -.24287920E+04 E0= -.24288758E+04 d E =-.242816E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242879099236E+04 0.10324E-02 -0.80055E-01 1704 0.109E+00 0.201E-01 DAV: 2 -0.242879250943E+04 -0.15171E-02 -0.17236E-02 1950 0.145E-01 0.110E-01 DAV: 3 -0.242879240652E+04 0.10291E-03 -0.33590E-04 2085 0.263E-02 0.729E-02 DAV: 4 -0.242879241452E+04 -0.80024E-05 -0.45154E-04 2229 0.267E-02 0.709E-02 DAV: 5 -0.242879235386E+04 0.60668E-04 -0.48047E-04 2238 0.236E-02 0.348E-02 DAV: 6 -0.242879234599E+04 0.78659E-05 -0.16310E-04 2076 0.114E-02 0.168E-02 DAV: 7 -0.242879234297E+04 0.30169E-05 -0.15498E-05 1248 0.551E-03 208 F= -.24287923E+04 E0= -.24288757E+04 d E =-.275501E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242879039656E+04 0.19494E-02 -0.27844E+00 1704 0.203E+00 0.364E-01 DAV: 2 -0.242879562744E+04 -0.52309E-02 -0.59777E-02 1941 0.269E-01 0.214E-01 DAV: 3 -0.242879537303E+04 0.25441E-03 -0.34765E-03 2220 0.525E-02 0.177E-01 DAV: 4 -0.242879521757E+04 0.15546E-03 -0.39229E-03 2382 0.423E-02 0.138E-01 DAV: 5 -0.242879513005E+04 0.87525E-04 -0.15350E-03 2157 0.422E-02 0.741E-02 DAV: 6 -0.242879506300E+04 0.67044E-04 -0.44340E-04 2058 0.243E-02 0.240E-02 DAV: 7 -0.242879506114E+04 0.18661E-05 -0.61871E-05 1896 0.987E-03 209 F= -.24287951E+04 E0= -.24288783E+04 d E =-.271816E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242879224664E+04 0.28164E-02 -0.20963E+00 1704 0.176E+00 0.318E-01 DAV: 2 -0.242879621527E+04 -0.39686E-02 -0.45147E-02 1941 0.234E-01 0.185E-01 DAV: 3 -0.242879602637E+04 0.18891E-03 -0.24534E-03 2211 0.449E-02 0.150E-01 DAV: 4 -0.242879592835E+04 0.98020E-04 -0.29051E-03 2364 0.369E-02 0.122E-01 DAV: 5 -0.242879585540E+04 0.72941E-04 -0.12071E-03 2148 0.365E-02 0.637E-02 DAV: 6 -0.242879580797E+04 0.47429E-04 -0.32885E-04 2058 0.208E-02 0.210E-02 DAV: 7 -0.242879580619E+04 0.17871E-05 -0.46210E-05 1788 0.862E-03 210 F= -.24287958E+04 E0= -.24288790E+04 d E =-.346321E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242879343444E+04 0.23735E-02 -0.29665E+00 1704 0.209E+00 0.375E-01 DAV: 2 -0.242879898920E+04 -0.55548E-02 -0.63276E-02 1905 0.277E-01 0.214E-01 DAV: 3 -0.242879872098E+04 0.26822E-03 -0.26472E-03 2193 0.501E-02 0.170E-01 DAV: 4 -0.242879867415E+04 0.46828E-04 -0.42584E-03 2499 0.446E-02 0.157E-01 DAV: 5 -0.242879844584E+04 0.22831E-03 -0.15086E-03 2139 0.421E-02 0.415E-02 DAV: 6 -0.242879845910E+04 -0.13266E-04 -0.33761E-04 1968 0.199E-02 0.267E-02 DAV: 7 -0.242879845268E+04 0.64261E-05 -0.40356E-05 1617 0.853E-03 211 F= -.24287985E+04 E0= -.24288818E+04 d E =-.264649E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242879379714E+04 0.46620E-02 -0.33432E+00 1704 0.222E+00 0.399E-01 DAV: 2 -0.242880007152E+04 -0.62744E-02 -0.71457E-02 1905 0.294E-01 0.226E-01 DAV: 3 -0.242879976695E+04 0.30457E-03 -0.29862E-03 2193 0.532E-02 0.179E-01 DAV: 4 -0.242879972065E+04 0.46293E-04 -0.48627E-03 2499 0.474E-02 0.167E-01 DAV: 5 -0.242879946520E+04 0.25546E-03 -0.17403E-03 2130 0.448E-02 0.471E-02 DAV: 6 -0.242879947457E+04 -0.93739E-05 -0.39646E-04 1986 0.217E-02 0.285E-02 DAV: 7 -0.242879946720E+04 0.73679E-05 -0.49004E-05 1761 0.937E-03 212 F= -.24287995E+04 E0= -.24288831E+04 d E =-.366102E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242879645697E+04 0.30176E-02 -0.35816E+00 1704 0.230E+00 0.410E-01 DAV: 2 -0.242880317334E+04 -0.67164E-02 -0.76086E-02 1923 0.304E-01 0.228E-01 DAV: 3 -0.242880274233E+04 0.43101E-03 -0.14774E-03 2067 0.483E-02 0.150E-01 DAV: 4 -0.242880295984E+04 -0.21751E-03 -0.48216E-03 2400 0.564E-02 0.194E-01 DAV: 5 -0.242880249655E+04 0.46329E-03 -0.26251E-03 2346 0.442E-02 0.353E-02 DAV: 6 -0.242880254446E+04 -0.47905E-04 -0.24043E-04 1977 0.178E-02 0.275E-02 DAV: 7 -0.242880253999E+04 0.44624E-05 -0.46772E-05 1761 0.878E-03 213 F= -.24288025E+04 E0= -.24288860E+04 d E =-.307279E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242879705282E+04 0.54916E-02 -0.38697E+00 1704 0.239E+00 0.426E-01 DAV: 2 -0.242880429222E+04 -0.72394E-02 -0.82155E-02 1923 0.316E-01 0.236E-01 DAV: 3 -0.242880381484E+04 0.47739E-03 -0.15973E-03 2067 0.508E-02 0.155E-01 DAV: 4 -0.242880401162E+04 -0.19679E-03 -0.50707E-03 2400 0.584E-02 0.195E-01 DAV: 5 -0.242880354719E+04 0.46444E-03 -0.28078E-03 2364 0.450E-02 0.388E-02 DAV: 6 -0.242880359207E+04 -0.44885E-04 -0.25960E-04 1986 0.187E-02 0.295E-02 DAV: 7 -0.242880358509E+04 0.69849E-05 -0.54855E-05 1887 0.953E-03 214 F= -.24288036E+04 E0= -.24288867E+04 d E =-.411788E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242880064958E+04 0.29425E-02 -0.35110E+00 1704 0.227E+00 0.401E-01 DAV: 2 -0.242880721953E+04 -0.65700E-02 -0.74336E-02 1923 0.300E-01 0.227E-01 DAV: 3 -0.242880681051E+04 0.40902E-03 -0.15266E-03 2067 0.472E-02 0.149E-01 DAV: 4 -0.242880695446E+04 -0.14395E-03 -0.41097E-03 2373 0.533E-02 0.175E-01 DAV: 5 -0.242880660852E+04 0.34594E-03 -0.25532E-03 2346 0.417E-02 0.455E-02 DAV: 6 -0.242880663204E+04 -0.23519E-04 -0.24285E-04 1986 0.178E-02 0.291E-02 DAV: 7 -0.242880662474E+04 0.72984E-05 -0.52591E-05 1806 0.954E-03 215 F= -.24288066E+04 E0= -.24288896E+04 d E =-.303965E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242879438782E+04 0.12244E-01 -0.82149E+00 1704 0.348E+00 0.611E-01 DAV: 2 -0.242880974304E+04 -0.15355E-01 -0.17382E-01 1923 0.459E-01 0.347E-01 DAV: 3 -0.242880877416E+04 0.96888E-03 -0.35266E-03 2067 0.719E-02 0.228E-01 DAV: 4 -0.242880912076E+04 -0.34660E-03 -0.99305E-03 2373 0.823E-02 0.265E-01 DAV: 5 -0.242880828554E+04 0.83522E-03 -0.53734E-03 2346 0.631E-02 0.616E-02 DAV: 6 -0.242880835336E+04 -0.67826E-04 -0.52232E-04 1986 0.264E-02 0.436E-02 DAV: 7 -0.242880833831E+04 0.15056E-04 -0.11452E-04 1977 0.140E-02 0.268E-02 DAV: 8 -0.242880833319E+04 0.51154E-05 -0.45668E-05 1779 0.831E-03 216 F= -.24288083E+04 E0= -.24288911E+04 d E =-.474810E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242880347167E+04 0.48666E-02 -0.50358E+00 1704 0.272E+00 0.477E-01 DAV: 2 -0.242881285673E+04 -0.93851E-02 -0.10656E-01 1914 0.359E-01 0.273E-01 DAV: 3 -0.242881226694E+04 0.58979E-03 -0.23396E-03 2067 0.572E-02 0.181E-01 DAV: 4 -0.242881250046E+04 -0.23352E-03 -0.65846E-03 2400 0.648E-02 0.216E-01 DAV: 5 -0.242881195955E+04 0.54091E-03 -0.36150E-03 2337 0.505E-02 0.489E-02 DAV: 6 -0.242881200482E+04 -0.45270E-04 -0.33664E-04 1986 0.214E-02 0.334E-02 DAV: 7 -0.242881199672E+04 0.81021E-05 -0.70418E-05 1950 0.107E-02 217 F= -.24288120E+04 E0= -.24288947E+04 d E =-.366353E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242880412732E+04 0.78775E-02 -0.53766E+00 1704 0.281E+00 0.495E-01 DAV: 2 -0.242881419772E+04 -0.10070E-01 -0.11412E-01 1914 0.371E-01 0.282E-01 DAV: 3 -0.242881356940E+04 0.62832E-03 -0.24518E-03 2067 0.595E-02 0.186E-01 DAV: 4 -0.242881377648E+04 -0.20708E-03 -0.66019E-03 2373 0.664E-02 0.214E-01 DAV: 5 -0.242881325649E+04 0.51999E-03 -0.38209E-03 2355 0.510E-02 0.544E-02 DAV: 6 -0.242881329151E+04 -0.35025E-04 -0.35252E-04 1986 0.220E-02 0.361E-02 DAV: 7 -0.242881328036E+04 0.11148E-04 -0.83343E-05 1968 0.116E-02 0.225E-02 DAV: 8 -0.242881327528E+04 0.50801E-05 -0.33502E-05 1563 0.773E-03 218 F= -.24288133E+04 E0= -.24288959E+04 d E =-.494209E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242880634734E+04 0.69330E-02 -0.65063E+00 1704 0.309E+00 0.549E-01 DAV: 2 -0.242881847504E+04 -0.12128E-01 -0.13814E-01 1923 0.408E-01 0.316E-01 DAV: 3 -0.242881773580E+04 0.73924E-03 -0.47863E-03 2103 0.728E-02 0.224E-01 DAV: 4 -0.242881766646E+04 0.69340E-04 -0.70876E-03 2328 0.655E-02 0.205E-01 DAV: 5 -0.242881732347E+04 0.34299E-03 -0.43764E-03 2229 0.592E-02 0.927E-02 DAV: 6 -0.242881727303E+04 0.50441E-04 -0.90058E-04 2040 0.306E-02 0.408E-02 DAV: 7 -0.242881726195E+04 0.11076E-04 -0.13504E-04 1986 0.137E-02 0.260E-02 DAV: 8 -0.242881725535E+04 0.66007E-05 -0.55342E-05 1842 0.974E-03 219 F= -.24288173E+04 E0= -.24288998E+04 d E =-.398007E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242880406280E+04 0.13199E-01 -0.81129E+00 1704 0.345E+00 0.614E-01 DAV: 2 -0.242881918567E+04 -0.15123E-01 -0.17235E-01 1923 0.456E-01 0.353E-01 DAV: 3 -0.242881826323E+04 0.92243E-03 -0.60802E-03 2085 0.817E-02 0.250E-01 DAV: 4 -0.242881816669E+04 0.96542E-04 -0.88837E-03 2328 0.729E-02 0.226E-01 DAV: 5 -0.242881774438E+04 0.42231E-03 -0.54453E-03 2211 0.661E-02 0.103E-01 DAV: 6 -0.242881768284E+04 0.61543E-04 -0.11474E-03 2040 0.341E-02 0.459E-02 DAV: 7 -0.242881766832E+04 0.14523E-04 -0.16961E-04 2004 0.153E-02 0.291E-02 DAV: 8 -0.242881765952E+04 0.87906E-05 -0.69370E-05 1959 0.109E-02 220 F= -.24288177E+04 E0= -.24289001E+04 d E =-.438424E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242881638799E+04 0.12803E-02 -0.99182E-01 1704 0.121E+00 0.212E-01 DAV: 2 -0.242881819291E+04 -0.18049E-02 -0.20821E-02 1923 0.159E-01 0.124E-01 DAV: 3 -0.242881807034E+04 0.12257E-03 -0.72022E-04 2085 0.286E-02 0.877E-02 DAV: 4 -0.242881805010E+04 0.20246E-04 -0.10243E-03 2319 0.254E-02 0.790E-02 DAV: 5 -0.242881800792E+04 0.42180E-04 -0.81333E-04 2202 0.238E-02 0.440E-02 DAV: 6 -0.242881799050E+04 0.17416E-04 -0.15472E-04 2004 0.124E-02 0.161E-02 DAV: 7 -0.242881798977E+04 0.72550E-06 -0.21497E-05 1248 0.562E-03 221 F= -.24288180E+04 E0= -.24289003E+04 d E =-.471449E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242881110483E+04 0.68857E-02 -0.66356E+00 1704 0.312E+00 0.548E-01 DAV: 2 -0.242882333546E+04 -0.12231E-01 -0.14036E-01 1923 0.410E-01 0.333E-01 DAV: 3 -0.242882263064E+04 0.70482E-03 -0.79710E-03 2175 0.829E-02 0.251E-01 DAV: 4 -0.242882218452E+04 0.44612E-03 -0.66229E-03 2211 0.635E-02 0.179E-01 DAV: 5 -0.242882214244E+04 0.42081E-04 -0.42962E-03 2157 0.617E-02 0.137E-01 DAV: 6 -0.242882193424E+04 0.20820E-03 -0.14754E-03 2103 0.360E-02 0.384E-02 DAV: 7 -0.242882194188E+04 -0.76405E-05 -0.16257E-04 1968 0.144E-02 0.255E-02 DAV: 8 -0.242882193553E+04 0.63452E-05 -0.55067E-05 1842 0.996E-03 222 F= -.24288219E+04 E0= -.24289043E+04 d E =-.394576E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242880231514E+04 0.19627E-01 -0.12775E+01 1704 0.433E+00 0.764E-01 DAV: 2 -0.242882612421E+04 -0.23809E-01 -0.27206E-01 1923 0.571E-01 0.462E-01 DAV: 3 -0.242882480194E+04 0.13223E-02 -0.15399E-02 2175 0.115E-01 0.347E-01 DAV: 4 -0.242882397741E+04 0.82453E-03 -0.12961E-02 2265 0.884E-02 0.248E-01 DAV: 5 -0.242882389870E+04 0.78717E-04 -0.80742E-03 2166 0.852E-02 0.190E-01 DAV: 6 -0.242882350871E+04 0.38998E-03 -0.28699E-03 2121 0.496E-02 0.541E-02 DAV: 7 -0.242882352159E+04 -0.12875E-04 -0.31788E-04 1986 0.200E-02 0.355E-02 DAV: 8 -0.242882350839E+04 0.13199E-04 -0.10692E-04 2040 0.140E-02 0.169E-02 DAV: 9 -0.242882350658E+04 0.18110E-05 -0.19446E-05 1239 0.625E-03 223 F= -.24288235E+04 E0= -.24289060E+04 d E =-.551680E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242881907589E+04 0.44325E-02 -0.48344E+00 1704 0.266E+00 0.466E-01 DAV: 2 -0.242882800307E+04 -0.89272E-02 -0.10143E-01 1905 0.349E-01 0.274E-01 DAV: 3 -0.242882748772E+04 0.51535E-03 -0.32732E-03 2112 0.607E-02 0.190E-01 DAV: 4 -0.242882748072E+04 0.70035E-05 -0.53560E-03 2346 0.563E-02 0.181E-01 DAV: 5 -0.242882722646E+04 0.25426E-03 -0.34944E-03 2283 0.502E-02 0.821E-02 DAV: 6 -0.242882718096E+04 0.45497E-04 -0.66110E-04 2040 0.262E-02 0.341E-02 DAV: 7 -0.242882717473E+04 0.62363E-05 -0.10316E-04 1914 0.116E-02 0.223E-02 DAV: 8 -0.242882717010E+04 0.46274E-05 -0.36935E-05 1509 0.818E-03 224 F= -.24288272E+04 E0= -.24289098E+04 d E =-.366352E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242875974836E+04 0.67426E-01 -0.42125E+01 1704 0.786E+00 0.138E+00 DAV: 2 -0.242883791330E+04 -0.78165E-01 -0.89004E-01 1905 0.103E+00 0.808E-01 DAV: 3 -0.242883330212E+04 0.46112E-02 -0.29347E-02 2112 0.180E-01 0.559E-01 DAV: 4 -0.242883312134E+04 0.18079E-03 -0.47158E-02 2346 0.167E-01 0.501E-01 DAV: 5 -0.242883070444E+04 0.24169E-02 -0.21175E-02 2238 0.143E-01 0.178E-01 DAV: 6 -0.242883065232E+04 0.52126E-04 -0.54144E-03 2022 0.702E-02 0.105E-01 DAV: 7 -0.242883055224E+04 0.10008E-03 -0.84198E-04 1977 0.330E-02 0.639E-02 DAV: 8 -0.242883052206E+04 0.30178E-04 -0.29914E-04 2058 0.225E-02 0.359E-02 DAV: 9 -0.242883051211E+04 0.99502E-05 -0.71256E-05 1995 0.107E-02 225 F= -.24288305E+04 E0= -.24289132E+04 d E =-.700554E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882570014E+04 0.48219E-02 -0.48389E+00 1704 0.266E+00 0.464E-01 DAV: 2 -0.242883466076E+04 -0.89606E-02 -0.10107E-01 1887 0.348E-01 0.268E-01 DAV: 3 -0.242883414985E+04 0.51091E-03 -0.22156E-03 2067 0.552E-02 0.177E-01 DAV: 4 -0.242883436901E+04 -0.21916E-03 -0.58958E-03 2409 0.611E-02 0.207E-01 DAV: 5 -0.242883389758E+04 0.47143E-03 -0.35045E-03 2364 0.487E-02 0.519E-02 DAV: 6 -0.242883392708E+04 -0.29501E-04 -0.37724E-04 1977 0.211E-02 0.305E-02 DAV: 7 -0.242883391994E+04 0.71447E-05 -0.67548E-05 1914 0.103E-02 226 F= -.24288339E+04 E0= -.24289167E+04 d E =-.340783E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242880879853E+04 0.25129E-01 -0.17301E+01 1704 0.504E+00 0.876E-01 DAV: 2 -0.242884082881E+04 -0.32030E-01 -0.36146E-01 1887 0.659E-01 0.506E-01 DAV: 3 -0.242883895114E+04 0.18777E-02 -0.74125E-03 2067 0.104E-01 0.334E-01 DAV: 4 -0.242883966618E+04 -0.71505E-03 -0.21756E-02 2364 0.116E-01 0.366E-01 DAV: 5 -0.242883804044E+04 0.16257E-02 -0.99744E-03 2355 0.880E-02 0.867E-02 DAV: 6 -0.242883815099E+04 -0.11055E-03 -0.12134E-03 1995 0.377E-02 0.591E-02 DAV: 7 -0.242883812301E+04 0.27985E-04 -0.25300E-04 1977 0.195E-02 0.364E-02 DAV: 8 -0.242883811418E+04 0.88293E-05 -0.10168E-04 2076 0.121E-02 0.199E-02 DAV: 9 -0.242883811128E+04 0.28930E-05 -0.26062E-05 1239 0.616E-03 227 F= -.24288381E+04 E0= -.24289211E+04 d E =-.759917E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242872003858E+04 0.11808E+00 -0.69194E+01 1704 0.101E+01 0.175E+00 DAV: 2 -0.242884851470E+04 -0.12848E+00 -0.14559E+00 1887 0.132E+00 0.102E+00 DAV: 3 -0.242884069960E+04 0.78151E-02 -0.30582E-02 2067 0.210E-01 0.670E-01 DAV: 4 -0.242884291317E+04 -0.22136E-02 -0.93253E-02 2373 0.234E-01 0.644E-01 DAV: 5 -0.242883704819E+04 0.58650E-02 -0.22689E-02 2328 0.167E-01 0.175E-01 DAV: 6 -0.242883735088E+04 -0.30270E-03 -0.50428E-03 2022 0.740E-02 0.120E-01 DAV: 7 -0.242883725333E+04 0.97552E-04 -0.11667E-03 2031 0.386E-02 0.715E-02 DAV: 8 -0.242883722189E+04 0.31438E-04 -0.33180E-04 2040 0.217E-02 0.385E-02 DAV: 9 -0.242883721429E+04 0.75998E-05 -0.97407E-05 1977 0.121E-02 228 F= -.24288372E+04 E0= -.24289204E+04 d E =-.670218E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242879698439E+04 0.40238E-01 -0.25403E+01 1704 0.610E+00 0.105E+00 DAV: 2 -0.242884342423E+04 -0.46440E-01 -0.52594E-01 1878 0.795E-01 0.610E-01 DAV: 3 -0.242884047653E+04 0.29477E-02 -0.93272E-03 2067 0.122E-01 0.390E-01 DAV: 4 -0.242884103747E+04 -0.56094E-03 -0.20358E-02 2247 0.142E-01 0.442E-01 DAV: 5 -0.242883943619E+04 0.16013E-02 -0.23412E-02 2346 0.101E-01 0.166E-01 DAV: 6 -0.242883934587E+04 0.90316E-04 -0.23454E-03 2031 0.452E-02 0.791E-02 DAV: 7 -0.242883930909E+04 0.36778E-04 -0.49381E-04 1968 0.269E-02 0.456E-02 DAV: 8 -0.242883930110E+04 0.79958E-05 -0.19304E-04 2031 0.160E-02 0.257E-02 DAV: 9 -0.242883929716E+04 0.39340E-05 -0.53290E-05 1374 0.730E-03 229 F= -.24288393E+04 E0= -.24289221E+04 d E =-.878505E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242883754373E+04 0.17574E-02 -0.49172E+00 1704 0.269E+00 0.485E-01 DAV: 2 -0.242884656904E+04 -0.90253E-02 -0.10351E-01 1932 0.354E-01 0.273E-01 DAV: 3 -0.242884599160E+04 0.57745E-03 -0.30304E-03 2085 0.611E-02 0.188E-01 DAV: 4 -0.242884610790E+04 -0.11630E-03 -0.66717E-03 2418 0.612E-02 0.204E-01 DAV: 5 -0.242884566180E+04 0.44610E-03 -0.36522E-03 2292 0.531E-02 0.612E-02 DAV: 6 -0.242884567521E+04 -0.13414E-04 -0.47142E-04 1995 0.247E-02 0.347E-02 DAV: 7 -0.242884566485E+04 0.10358E-04 -0.81590E-05 1968 0.114E-02 0.226E-02 DAV: 8 -0.242884566061E+04 0.42489E-05 -0.32928E-05 1392 0.741E-03 230 F= -.24288457E+04 E0= -.24289287E+04 d E =-.636344E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242878945525E+04 0.56210E-01 -0.34381E+01 1704 0.711E+00 0.129E+00 DAV: 2 -0.242885345874E+04 -0.64003E-01 -0.73134E-01 1923 0.941E-01 0.721E-01 DAV: 3 -0.242884932251E+04 0.41362E-02 -0.19488E-02 2076 0.160E-01 0.481E-01 DAV: 4 -0.242884968396E+04 -0.36145E-03 -0.37343E-02 2337 0.161E-01 0.458E-01 DAV: 5 -0.242884727360E+04 0.24104E-02 -0.21105E-02 2265 0.131E-01 0.152E-01 DAV: 6 -0.242884733130E+04 -0.57703E-04 -0.33886E-03 2004 0.594E-02 0.962E-02 DAV: 7 -0.242884724542E+04 0.85888E-04 -0.56140E-04 2049 0.293E-02 0.586E-02 DAV: 8 -0.242884722169E+04 0.23724E-04 -0.24116E-04 2040 0.187E-02 0.341E-02 DAV: 9 -0.242884720882E+04 0.12874E-04 -0.85836E-05 1968 0.109E-02 0.187E-02 DAV: 10 -0.242884720229E+04 0.65317E-05 -0.31987E-05 1428 0.922E-03 231 F= -.24288472E+04 E0= -.24289307E+04 d E =-.790512E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242883857219E+04 0.86366E-02 -0.63706E+00 1704 0.306E+00 0.554E-01 DAV: 2 -0.242885034789E+04 -0.11776E-01 -0.13441E-01 1932 0.404E-01 0.309E-01 DAV: 3 -0.242884958045E+04 0.76745E-03 -0.32272E-03 2076 0.673E-02 0.203E-01 DAV: 4 -0.242884967408E+04 -0.93635E-04 -0.68292E-03 2337 0.691E-02 0.212E-01 DAV: 5 -0.242884929085E+04 0.38323E-03 -0.61438E-03 2319 0.572E-02 0.997E-02 DAV: 6 -0.242884922601E+04 0.64844E-04 -0.73101E-04 2013 0.274E-02 0.405E-02 DAV: 7 -0.242884921932E+04 0.66898E-05 -0.13305E-04 1968 0.137E-02 0.262E-02 DAV: 8 -0.242884921532E+04 0.40020E-05 -0.54788E-05 1761 0.890E-03 232 F= -.24288492E+04 E0= -.24289327E+04 d E =-.991815E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242884644335E+04 0.27760E-02 -0.52251E+00 1704 0.277E+00 0.492E-01 DAV: 2 -0.242885600321E+04 -0.95599E-02 -0.10947E-01 1932 0.364E-01 0.280E-01 DAV: 3 -0.242885537705E+04 0.62615E-03 -0.21561E-03 2067 0.587E-02 0.180E-01 DAV: 4 -0.242885533912E+04 0.37930E-04 -0.32727E-03 2121 0.609E-02 0.132E-01 DAV: 5 -0.242885513206E+04 0.20706E-03 -0.23831E-03 2229 0.441E-02 0.598E-02 DAV: 6 -0.242885511789E+04 0.14176E-04 -0.45940E-04 2085 0.188E-02 0.371E-02 DAV: 7 -0.242885510692E+04 0.10964E-04 -0.73118E-05 1788 0.104E-02 0.230E-02 DAV: 8 -0.242885510336E+04 0.35601E-05 -0.37234E-05 1356 0.775E-03 233 F= -.24288551E+04 E0= -.24289380E+04 d E =-.588805E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882229421E+04 0.32813E-01 -0.21949E+01 1704 0.568E+00 0.102E+00 DAV: 2 -0.242886304612E+04 -0.40752E-01 -0.46523E-01 1932 0.749E-01 0.574E-01 DAV: 3 -0.242886049060E+04 0.25555E-02 -0.10110E-02 2058 0.122E-01 0.371E-01 DAV: 4 -0.242886029675E+04 0.19386E-03 -0.15544E-02 2094 0.122E-01 0.249E-01 DAV: 5 -0.242885944796E+04 0.84879E-03 -0.66058E-03 2040 0.872E-02 0.984E-02 DAV: 6 -0.242885941257E+04 0.35390E-04 -0.15778E-03 2040 0.376E-02 0.708E-02 DAV: 7 -0.242885937314E+04 0.39427E-04 -0.34138E-04 2040 0.207E-02 0.463E-02 DAV: 8 -0.242885936055E+04 0.12588E-04 -0.18115E-04 2130 0.149E-02 0.307E-02 DAV: 9 -0.242885935032E+04 0.10230E-04 -0.70402E-05 1473 0.920E-03 0.151E-02 DAV: 10 -0.242885934794E+04 0.23864E-05 -0.22959E-05 1356 0.659E-03 234 F= -.24288593E+04 E0= -.24289411E+04 d E =-.101326E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242885587080E+04 0.34795E-02 -0.52388E+00 1704 0.278E+00 0.490E-01 DAV: 2 -0.242886557961E+04 -0.97088E-02 -0.10980E-01 1923 0.364E-01 0.278E-01 DAV: 3 -0.242886498020E+04 0.59941E-03 -0.17906E-03 2058 0.548E-02 0.175E-01 DAV: 4 -0.242886492741E+04 0.52795E-04 -0.30102E-03 2139 0.659E-02 0.124E-01 DAV: 5 -0.242886477772E+04 0.14969E-03 -0.21597E-03 2265 0.386E-02 0.569E-02 DAV: 6 -0.242886476461E+04 0.13110E-04 -0.31422E-04 2049 0.164E-02 0.344E-02 DAV: 7 -0.242886475529E+04 0.93213E-05 -0.92530E-05 1905 0.106E-02 235 F= -.24288648E+04 E0= -.24289460E+04 d E =-.540735E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882075643E+04 0.44008E-01 -0.28816E+01 1704 0.652E+00 0.116E+00 DAV: 2 -0.242887458330E+04 -0.53827E-01 -0.60797E-01 1923 0.857E-01 0.652E-01 DAV: 3 -0.242887129351E+04 0.32898E-02 -0.96504E-03 2040 0.128E-01 0.410E-01 DAV: 4 -0.242887074707E+04 0.54644E-03 -0.15048E-02 2112 0.155E-01 0.249E-01 DAV: 5 -0.242887023889E+04 0.50818E-03 -0.10263E-02 2247 0.847E-02 0.131E-01 DAV: 6 -0.242887013564E+04 0.10325E-03 -0.14327E-03 2058 0.366E-02 0.784E-02 DAV: 7 -0.242887009536E+04 0.40282E-04 -0.53099E-04 2031 0.247E-02 0.499E-02 DAV: 8 -0.242887007169E+04 0.23667E-04 -0.18618E-04 2040 0.163E-02 0.240E-02 DAV: 9 -0.242887006852E+04 0.31737E-05 -0.57326E-05 1887 0.986E-03 236 F= -.24288701E+04 E0= -.24289502E+04 d E =-.107206E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242886504329E+04 0.50284E-02 -0.76400E+00 1704 0.336E+00 0.605E-01 DAV: 2 -0.242887941964E+04 -0.14376E-01 -0.16396E-01 1941 0.445E-01 0.353E-01 DAV: 3 -0.242887869715E+04 0.72249E-03 -0.81308E-03 2175 0.840E-02 0.271E-01 DAV: 4 -0.242887857347E+04 0.12368E-03 -0.12031E-02 2400 0.728E-02 0.240E-01 DAV: 5 -0.242887813052E+04 0.44295E-03 -0.48349E-03 2184 0.684E-02 0.924E-02 DAV: 6 -0.242887807378E+04 0.56745E-04 -0.11588E-03 2067 0.367E-02 0.422E-02 DAV: 7 -0.242887806178E+04 0.11999E-04 -0.16562E-04 1986 0.153E-02 0.285E-02 DAV: 8 -0.242887805504E+04 0.67360E-05 -0.73400E-05 1914 0.103E-02 237 F= -.24288781E+04 E0= -.24289590E+04 d E =-.798652E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242885991029E+04 0.18151E-01 -0.12343E+01 1704 0.426E+00 0.772E-01 DAV: 2 -0.242888318340E+04 -0.23273E-01 -0.26571E-01 1941 0.567E-01 0.449E-01 DAV: 3 -0.242888198447E+04 0.11989E-02 -0.12889E-02 2157 0.107E-01 0.339E-01 DAV: 4 -0.242888180757E+04 0.17689E-03 -0.19228E-02 2391 0.932E-02 0.299E-01 DAV: 5 -0.242888110828E+04 0.69930E-03 -0.77601E-03 2220 0.870E-02 0.120E-01 DAV: 6 -0.242888099954E+04 0.10873E-03 -0.19010E-03 2076 0.472E-02 0.549E-02 DAV: 7 -0.242888097731E+04 0.22232E-04 -0.27862E-04 2013 0.201E-02 0.369E-02 DAV: 8 -0.242888096426E+04 0.13054E-04 -0.12326E-04 2058 0.136E-02 0.211E-02 DAV: 9 -0.242888095830E+04 0.59594E-05 -0.36471E-05 1365 0.724E-03 238 F= -.24288810E+04 E0= -.24289633E+04 d E =-.108898E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242887151296E+04 0.94513E-02 -0.10249E+01 1704 0.388E+00 0.698E-01 DAV: 2 -0.242889070412E+04 -0.19191E-01 -0.22090E-01 1932 0.513E-01 0.422E-01 DAV: 3 -0.242888984444E+04 0.85968E-03 -0.15321E-02 2229 0.104E-01 0.344E-01 DAV: 4 -0.242888933826E+04 0.50618E-03 -0.16479E-02 2319 0.827E-02 0.262E-01 DAV: 5 -0.242888906233E+04 0.27593E-03 -0.64798E-03 2139 0.803E-02 0.136E-01 DAV: 6 -0.242888882532E+04 0.23701E-03 -0.23570E-03 2058 0.481E-02 0.474E-02 DAV: 7 -0.242888881936E+04 0.59618E-05 -0.27750E-04 2004 0.185E-02 0.336E-02 DAV: 8 -0.242888880845E+04 0.10909E-04 -0.98047E-05 2004 0.126E-02 0.185E-02 DAV: 9 -0.242888880603E+04 0.24206E-05 -0.28256E-05 1257 0.609E-03 239 F= -.24288888E+04 E0= -.24289715E+04 d E =-.784773E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242887715182E+04 0.11657E-01 -0.87438E+00 1704 0.358E+00 0.645E-01 DAV: 2 -0.242889351462E+04 -0.16363E-01 -0.18819E-01 1941 0.474E-01 0.388E-01 DAV: 3 -0.242889277505E+04 0.73957E-03 -0.12656E-02 2229 0.953E-02 0.315E-01 DAV: 4 -0.242889237737E+04 0.39768E-03 -0.13935E-02 2310 0.766E-02 0.244E-01 DAV: 5 -0.242889211152E+04 0.26585E-03 -0.55012E-03 2130 0.742E-02 0.124E-01 DAV: 6 -0.242889192169E+04 0.18982E-03 -0.20017E-03 2049 0.439E-02 0.439E-02 DAV: 7 -0.242889191534E+04 0.63520E-05 -0.23497E-04 2004 0.171E-02 0.310E-02 DAV: 8 -0.242889190599E+04 0.93558E-05 -0.85287E-05 1977 0.118E-02 240 F= -.24288919E+04 E0= -.24289746E+04 d E =-.109477E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242889033458E+04 0.15808E-02 -0.59841E+00 1704 0.297E+00 0.572E-01 DAV: 2 -0.242890174146E+04 -0.11407E-01 -0.13130E-01 1977 0.401E-01 0.312E-01 DAV: 3 -0.242890100659E+04 0.73488E-03 -0.48214E-03 2085 0.767E-02 0.211E-01 DAV: 4 -0.242890096795E+04 0.38641E-04 -0.68704E-03 2112 0.692E-02 0.174E-01 DAV: 5 -0.242890067685E+04 0.29110E-03 -0.36237E-03 2148 0.598E-02 0.101E-01 DAV: 6 -0.242890059274E+04 0.84102E-04 -0.14007E-03 2193 0.307E-02 0.432E-02 DAV: 7 -0.242890058166E+04 0.11081E-04 -0.13444E-04 1986 0.142E-02 0.258E-02 DAV: 8 -0.242890057415E+04 0.75146E-05 -0.60300E-05 2013 0.108E-02 241 F= -.24289006E+04 E0= -.24289823E+04 d E =-.866816E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242889644144E+04 0.41402E-02 -0.31343E+00 1704 0.215E+00 0.414E-01 DAV: 2 -0.242890239471E+04 -0.59533E-02 -0.68733E-02 1977 0.290E-01 0.226E-01 DAV: 3 -0.242890200809E+04 0.38662E-03 -0.27296E-03 2085 0.563E-02 0.154E-01 DAV: 4 -0.242890196774E+04 0.40348E-04 -0.34233E-03 2121 0.507E-02 0.127E-01 DAV: 5 -0.242890181966E+04 0.14808E-03 -0.19838E-03 2157 0.443E-02 0.783E-02 DAV: 6 -0.242890176592E+04 0.53750E-04 -0.81129E-04 2175 0.233E-02 0.317E-02 DAV: 7 -0.242890175926E+04 0.66520E-05 -0.76028E-05 1986 0.107E-02 242 F= -.24289018E+04 E0= -.24289825E+04 d E =-.985328E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242889791249E+04 0.38534E-02 -0.57188E+00 1704 0.290E+00 0.534E-01 DAV: 2 -0.242890871388E+04 -0.10801E-01 -0.12256E-01 1959 0.386E-01 0.303E-01 DAV: 3 -0.242890811527E+04 0.59861E-03 -0.33404E-03 2094 0.718E-02 0.208E-01 DAV: 4 -0.242890814229E+04 -0.27022E-04 -0.37476E-03 2220 0.671E-02 0.192E-01 DAV: 5 -0.242890789271E+04 0.24958E-03 -0.47898E-03 2229 0.602E-02 0.118E-01 DAV: 6 -0.242890777169E+04 0.12102E-03 -0.16621E-03 2175 0.307E-02 0.404E-02 DAV: 7 -0.242890776805E+04 0.36382E-05 -0.14436E-04 1986 0.140E-02 0.262E-02 DAV: 8 -0.242890776270E+04 0.53575E-05 -0.62055E-05 1905 0.102E-02 243 F= -.24289078E+04 E0= -.24289886E+04 d E =-.600343E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242888781787E+04 0.19950E-01 -0.12412E+01 1704 0.427E+00 0.785E-01 DAV: 2 -0.242891114680E+04 -0.23329E-01 -0.26563E-01 1959 0.567E-01 0.447E-01 DAV: 3 -0.242890981941E+04 0.13274E-02 -0.73674E-03 2103 0.107E-01 0.308E-01 DAV: 4 -0.242890994195E+04 -0.12254E-03 -0.89021E-03 2247 0.100E-01 0.303E-01 DAV: 5 -0.242890931858E+04 0.62337E-03 -0.12401E-02 2229 0.896E-02 0.178E-01 DAV: 6 -0.242890903999E+04 0.27859E-03 -0.35522E-03 2139 0.469E-02 0.602E-02 DAV: 7 -0.242890903140E+04 0.85928E-05 -0.34248E-04 2022 0.217E-02 0.389E-02 DAV: 8 -0.242890901739E+04 0.14005E-04 -0.13494E-04 2049 0.154E-02 0.197E-02 DAV: 9 -0.242890901346E+04 0.39374E-05 -0.27650E-05 1473 0.737E-03 244 F= -.24289090E+04 E0= -.24289904E+04 d E =-.725419E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242890685940E+04 0.21580E-02 -0.16665E+00 1704 0.156E+00 0.286E-01 DAV: 2 -0.242890993591E+04 -0.30765E-02 -0.35197E-02 1959 0.207E-01 0.164E-01 DAV: 3 -0.242890975751E+04 0.17840E-03 -0.91400E-04 2094 0.387E-02 0.113E-01 DAV: 4 -0.242890976708E+04 -0.95703E-05 -0.12849E-03 2301 0.366E-02 0.110E-01 DAV: 5 -0.242890967356E+04 0.93521E-04 -0.14523E-03 2265 0.328E-02 0.593E-02 DAV: 6 -0.242890964775E+04 0.25812E-04 -0.46920E-04 2094 0.164E-02 0.218E-02 DAV: 7 -0.242890964598E+04 0.17660E-05 -0.41602E-05 1509 0.746E-03 245 F= -.24289096E+04 E0= -.24289910E+04 d E =-.788672E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242891071674E+04 -0.10690E-02 -0.38818E+00 1704 0.239E+00 0.468E-01 DAV: 2 -0.242891809532E+04 -0.73786E-02 -0.85652E-02 1968 0.325E-01 0.258E-01 DAV: 3 -0.242891755059E+04 0.54473E-03 -0.22764E-03 2085 0.601E-02 0.167E-01 DAV: 4 -0.242891759198E+04 -0.41395E-04 -0.35585E-03 2220 0.632E-02 0.157E-01 DAV: 5 -0.242891736646E+04 0.22552E-03 -0.32429E-03 2292 0.488E-02 0.839E-02 DAV: 6 -0.242891731604E+04 0.50427E-04 -0.79492E-04 2058 0.229E-02 0.374E-02 DAV: 7 -0.242891730662E+04 0.94221E-05 -0.12610E-04 2013 0.138E-02 0.230E-02 DAV: 8 -0.242891730344E+04 0.31752E-05 -0.50456E-05 1833 0.890E-03 246 F= -.24289173E+04 E0= -.24289995E+04 d E =-.765746E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242891643074E+04 0.87587E-03 -0.10518E+00 1704 0.124E+00 0.247E-01 DAV: 2 -0.242891847439E+04 -0.20436E-02 -0.23425E-02 1977 0.170E-01 0.134E-01 DAV: 3 -0.242891833271E+04 0.14168E-03 -0.54708E-04 2103 0.314E-02 0.857E-02 DAV: 4 -0.242891834498E+04 -0.12271E-04 -0.80881E-04 2193 0.331E-02 0.754E-02 DAV: 5 -0.242891828624E+04 0.58736E-04 -0.68564E-04 2283 0.250E-02 0.407E-02 DAV: 6 -0.242891827457E+04 0.11670E-04 -0.19048E-04 2004 0.114E-02 0.193E-02 DAV: 7 -0.242891827115E+04 0.34210E-05 -0.30440E-05 1401 0.732E-03 247 F= -.24289183E+04 E0= -.24290010E+04 d E =-.862517E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242891850999E+04 -0.23541E-03 -0.31492E+00 1704 0.215E+00 0.421E-01 DAV: 2 -0.242892471894E+04 -0.62090E-02 -0.72369E-02 2004 0.297E-01 0.241E-01 DAV: 3 -0.242892438553E+04 0.33342E-03 -0.45354E-03 2148 0.618E-02 0.185E-01 DAV: 4 -0.242892429534E+04 0.90189E-04 -0.48672E-03 2355 0.516E-02 0.168E-01 DAV: 5 -0.242892410169E+04 0.19364E-03 -0.25236E-03 2157 0.466E-02 0.636E-02 DAV: 6 -0.242892407624E+04 0.25452E-04 -0.59548E-04 2049 0.248E-02 0.321E-02 DAV: 7 -0.242892406618E+04 0.10067E-04 -0.98039E-05 2031 0.127E-02 0.192E-02 DAV: 8 -0.242892406404E+04 0.21406E-05 -0.44550E-05 1734 0.853E-03 248 F= -.24289241E+04 E0= -.24290061E+04 d E =-.579288E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242892378651E+04 0.27966E-03 -0.38505E-01 1704 0.752E-01 0.148E-01 DAV: 2 -0.242892455208E+04 -0.76557E-03 -0.88519E-03 2004 0.104E-01 0.837E-02 DAV: 3 -0.242892451256E+04 0.39523E-04 -0.52038E-04 2157 0.217E-02 0.646E-02 DAV: 4 -0.242892450304E+04 0.95224E-05 -0.62750E-04 2292 0.185E-02 0.588E-02 DAV: 5 -0.242892447413E+04 0.28902E-04 -0.28382E-04 2067 0.168E-02 0.201E-02 DAV: 6 -0.242892447151E+04 0.26201E-05 -0.66488E-05 1653 0.903E-03 249 F= -.24289245E+04 E0= -.24290062E+04 d E =-.620036E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242892570058E+04 -0.12264E-02 -0.22362E+00 1704 0.181E+00 0.370E-01 DAV: 2 -0.242893012965E+04 -0.44291E-02 -0.52285E-02 1986 0.252E-01 0.198E-01 DAV: 3 -0.242892985170E+04 0.27795E-03 -0.29848E-03 2121 0.543E-02 0.143E-01 DAV: 4 -0.242892975559E+04 0.96115E-04 -0.23518E-03 2292 0.420E-02 0.117E-01 DAV: 5 -0.242892972727E+04 0.28314E-04 -0.21668E-03 2229 0.393E-02 0.860E-02 DAV: 6 -0.242892963701E+04 0.90266E-04 -0.87628E-04 2139 0.241E-02 0.254E-02 DAV: 7 -0.242892963864E+04 -0.16315E-05 -0.82394E-05 1986 0.111E-02 250 F= -.24289296E+04 E0= -.24290110E+04 d E =-.516713E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242892881392E+04 0.82309E-03 -0.10039E+00 1704 0.122E+00 0.250E-01 DAV: 2 -0.242893083702E+04 -0.20231E-02 -0.23634E-02 1986 0.169E-01 0.132E-01 DAV: 3 -0.242893071683E+04 0.12020E-03 -0.13686E-03 2121 0.363E-02 0.957E-02 DAV: 4 -0.242893067126E+04 0.45564E-04 -0.11107E-03 2265 0.282E-02 0.768E-02 DAV: 5 -0.242893065885E+04 0.12416E-04 -0.91040E-04 2220 0.263E-02 0.575E-02 DAV: 6 -0.242893061864E+04 0.40202E-04 -0.39112E-04 2121 0.160E-02 0.175E-02 DAV: 7 -0.242893061884E+04 -0.19728E-06 -0.38208E-05 1563 0.772E-03 251 F= -.24289306E+04 E0= -.24290117E+04 d E =-.614733E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242893168692E+04 -0.10683E-02 -0.21058E+00 1704 0.176E+00 0.351E-01 DAV: 2 -0.242893591805E+04 -0.42311E-02 -0.49137E-02 2004 0.244E-01 0.194E-01 DAV: 3 -0.242893574456E+04 0.17350E-03 -0.40010E-03 2130 0.571E-02 0.160E-01 DAV: 4 -0.242893553900E+04 0.20556E-03 -0.28834E-03 2238 0.432E-02 0.113E-01 DAV: 5 -0.242893551632E+04 0.22681E-04 -0.17827E-03 2139 0.403E-02 0.789E-02 DAV: 6 -0.242893544152E+04 0.74800E-04 -0.80556E-04 2076 0.231E-02 0.251E-02 DAV: 7 -0.242893544047E+04 0.10534E-05 -0.70447E-05 1896 0.107E-02 252 F= -.24289354E+04 E0= -.24290172E+04 d E =-.482163E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242893418195E+04 0.12596E-02 -0.13283E+00 1704 0.140E+00 0.281E-01 DAV: 2 -0.242893687631E+04 -0.26944E-02 -0.31097E-02 2004 0.194E-01 0.154E-01 DAV: 3 -0.242893676638E+04 0.10993E-03 -0.23397E-03 2121 0.449E-02 0.126E-01 DAV: 4 -0.242893664327E+04 0.12311E-03 -0.18218E-03 2274 0.347E-02 0.906E-02 DAV: 5 -0.242893662169E+04 0.21577E-04 -0.11327E-03 2157 0.326E-02 0.615E-02 DAV: 6 -0.242893657603E+04 0.45665E-04 -0.50247E-04 2076 0.184E-02 0.206E-02 DAV: 7 -0.242893657424E+04 0.17822E-05 -0.44973E-05 1788 0.886E-03 253 F= -.24289366E+04 E0= -.24290189E+04 d E =-.595540E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242893720459E+04 -0.62857E-03 -0.23843E+00 1704 0.187E+00 0.369E-01 DAV: 2 -0.242894204644E+04 -0.48418E-02 -0.55626E-02 2013 0.259E-01 0.208E-01 DAV: 3 -0.242894183038E+04 0.21606E-03 -0.36918E-03 2193 0.584E-02 0.173E-01 DAV: 4 -0.242894162416E+04 0.20622E-03 -0.30230E-03 2274 0.441E-02 0.124E-01 DAV: 5 -0.242894157846E+04 0.45700E-04 -0.21627E-03 2148 0.430E-02 0.742E-02 DAV: 6 -0.242894150852E+04 0.69941E-04 -0.87070E-04 2067 0.254E-02 0.253E-02 DAV: 7 -0.242894150771E+04 0.80641E-06 -0.82553E-05 1959 0.113E-02 254 F= -.24289415E+04 E0= -.24290239E+04 d E =-.493347E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242894011599E+04 0.13925E-02 -0.13473E+00 1704 0.141E+00 0.280E-01 DAV: 2 -0.242894288001E+04 -0.27640E-02 -0.31520E-02 2013 0.195E-01 0.156E-01 DAV: 3 -0.242894275700E+04 0.12301E-03 -0.18789E-03 2184 0.437E-02 0.128E-01 DAV: 4 -0.242894264882E+04 0.10817E-03 -0.16373E-03 2283 0.334E-02 0.937E-02 DAV: 5 -0.242894261814E+04 0.30685E-04 -0.12164E-03 2139 0.327E-02 0.551E-02 DAV: 6 -0.242894257974E+04 0.38403E-04 -0.47084E-04 2058 0.189E-02 0.196E-02 DAV: 7 -0.242894257836E+04 0.13805E-05 -0.48690E-05 1806 0.886E-03 255 F= -.24289426E+04 E0= -.24290249E+04 d E =-.600411E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242894294329E+04 -0.36356E-03 -0.23953E+00 1704 0.187E+00 0.375E-01 DAV: 2 -0.242894773633E+04 -0.47930E-02 -0.56259E-02 1986 0.259E-01 0.207E-01 DAV: 3 -0.242894743508E+04 0.30124E-03 -0.35808E-03 2094 0.566E-02 0.145E-01 DAV: 4 -0.242894728772E+04 0.14737E-03 -0.23862E-03 2103 0.420E-02 0.977E-02 DAV: 5 -0.242894723273E+04 0.54992E-04 -0.12000E-03 2067 0.370E-02 0.472E-02 DAV: 6 -0.242894721752E+04 0.15206E-04 -0.35498E-04 2049 0.184E-02 0.298E-02 DAV: 7 -0.242894720968E+04 0.78442E-05 -0.72501E-05 1788 0.103E-02 256 F= -.24289472E+04 E0= -.24290292E+04 d E =-.463132E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242894631533E+04 0.90219E-03 -0.92915E-01 1704 0.117E+00 0.236E-01 DAV: 2 -0.242894819912E+04 -0.18838E-02 -0.21984E-02 1986 0.162E-01 0.130E-01 DAV: 3 -0.242894808448E+04 0.11464E-03 -0.13809E-03 2112 0.364E-02 0.911E-02 DAV: 4 -0.242894802214E+04 0.62335E-04 -0.85011E-04 2085 0.268E-02 0.598E-02 DAV: 5 -0.242894800409E+04 0.18050E-04 -0.43131E-04 2040 0.240E-02 0.365E-02 DAV: 6 -0.242894799203E+04 0.12064E-04 -0.18612E-04 2094 0.122E-02 0.199E-02 DAV: 7 -0.242894798849E+04 0.35425E-05 -0.28374E-05 1203 0.673E-03 257 F= -.24289480E+04 E0= -.24290297E+04 d E =-.541013E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242894840874E+04 -0.41671E-03 -0.21023E+00 1704 0.175E+00 0.347E-01 DAV: 2 -0.242895259751E+04 -0.41888E-02 -0.48876E-02 1995 0.242E-01 0.192E-01 DAV: 3 -0.242895232633E+04 0.27117E-03 -0.25801E-03 2103 0.552E-02 0.142E-01 DAV: 4 -0.242895218354E+04 0.14280E-03 -0.19063E-03 2121 0.404E-02 0.101E-01 DAV: 5 -0.242895216899E+04 0.14548E-04 -0.18257E-03 2211 0.398E-02 0.899E-02 DAV: 6 -0.242895208011E+04 0.88874E-04 -0.88437E-04 2229 0.231E-02 0.258E-02 DAV: 7 -0.242895208221E+04 -0.20940E-05 -0.69393E-05 1923 0.107E-02 258 F= -.24289521E+04 E0= -.24290341E+04 d E =-.409372E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242895149067E+04 0.58945E-03 -0.65963E-01 1704 0.981E-01 0.197E-01 DAV: 2 -0.242895282602E+04 -0.13354E-02 -0.15499E-02 1995 0.136E-01 0.108E-01 DAV: 3 -0.242895274412E+04 0.81902E-04 -0.84966E-04 2103 0.314E-02 0.803E-02 DAV: 4 -0.242895269730E+04 0.46816E-04 -0.64245E-04 2130 0.231E-02 0.576E-02 DAV: 5 -0.242895268903E+04 0.82717E-05 -0.57401E-04 2211 0.230E-02 0.509E-02 DAV: 6 -0.242895266030E+04 0.28728E-04 -0.28466E-04 2211 0.133E-02 0.151E-02 DAV: 7 -0.242895265984E+04 0.46262E-06 -0.21859E-05 1383 0.654E-03 259 F= -.24289527E+04 E0= -.24290349E+04 d E =-.467135E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242895247702E+04 0.18328E-03 -0.25341E+00 1704 0.192E+00 0.383E-01 DAV: 2 -0.242895744609E+04 -0.49691E-02 -0.57991E-02 1995 0.264E-01 0.214E-01 DAV: 3 -0.242895720744E+04 0.23865E-03 -0.41591E-03 2211 0.621E-02 0.181E-01 DAV: 4 -0.242895695369E+04 0.25375E-03 -0.30780E-03 2274 0.462E-02 0.126E-01 DAV: 5 -0.242895690271E+04 0.50976E-04 -0.22036E-03 2112 0.431E-02 0.704E-02 DAV: 6 -0.242895683995E+04 0.62763E-04 -0.79321E-04 2058 0.244E-02 0.257E-02 DAV: 7 -0.242895683743E+04 0.25180E-05 -0.70193E-05 1932 0.111E-02 260 F= -.24289568E+04 E0= -.24290392E+04 d E =-.417760E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242895625787E+04 0.58208E-03 -0.59581E-01 1704 0.932E-01 0.188E-01 DAV: 2 -0.242895745551E+04 -0.11976E-02 -0.13802E-02 1995 0.129E-01 0.104E-01 DAV: 3 -0.242895740314E+04 0.52366E-04 -0.93682E-04 2211 0.306E-02 0.888E-02 DAV: 4 -0.242895734211E+04 0.61032E-04 -0.74257E-04 2256 0.228E-02 0.613E-02 DAV: 5 -0.242895733238E+04 0.97318E-05 -0.54230E-04 2112 0.212E-02 0.362E-02 DAV: 6 -0.242895731496E+04 0.17415E-04 -0.20145E-04 2031 0.122E-02 0.126E-02 DAV: 7 -0.242895731403E+04 0.92978E-06 -0.17480E-05 1239 0.590E-03 261 F= -.24289573E+04 E0= -.24290396E+04 d E =-.465420E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242895715999E+04 0.15497E-03 -0.24895E+00 1704 0.191E+00 0.373E-01 DAV: 2 -0.242896201750E+04 -0.48575E-02 -0.56112E-02 1959 0.260E-01 0.212E-01 DAV: 3 -0.242896181417E+04 0.20333E-03 -0.38250E-03 2220 0.566E-02 0.179E-01 DAV: 4 -0.242896158660E+04 0.22757E-03 -0.31624E-03 2319 0.452E-02 0.127E-01 DAV: 5 -0.242896150248E+04 0.84122E-04 -0.17901E-03 2076 0.417E-02 0.540E-02 DAV: 6 -0.242896147239E+04 0.30091E-04 -0.54051E-04 2040 0.208E-02 0.270E-02 DAV: 7 -0.242896146509E+04 0.73002E-05 -0.59722E-05 1878 0.104E-02 262 F= -.24289615E+04 E0= -.24290437E+04 d E =-.415105E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242896058253E+04 0.88985E-03 -0.83152E-01 1704 0.110E+00 0.218E-01 DAV: 2 -0.242896223446E+04 -0.16519E-02 -0.18999E-02 1968 0.151E-01 0.123E-01 DAV: 3 -0.242896217045E+04 0.64010E-04 -0.13620E-03 2238 0.331E-02 0.105E-01 DAV: 4 -0.242896209408E+04 0.76373E-04 -0.11402E-03 2319 0.263E-02 0.733E-02 DAV: 5 -0.242896207056E+04 0.23521E-04 -0.58172E-04 2058 0.243E-02 0.343E-02 DAV: 6 -0.242896205609E+04 0.14466E-04 -0.20278E-04 2058 0.127E-02 0.159E-02 DAV: 7 -0.242896205321E+04 0.28812E-05 -0.19838E-05 1212 0.641E-03 263 F= -.24289621E+04 E0= -.24290441E+04 d E =-.473918E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242896107155E+04 0.98454E-03 -0.30034E+00 1704 0.209E+00 0.397E-01 DAV: 2 -0.242896687517E+04 -0.58036E-02 -0.67478E-02 1977 0.285E-01 0.220E-01 DAV: 3 -0.242896646189E+04 0.41327E-03 -0.24477E-03 2094 0.519E-02 0.153E-01 DAV: 4 -0.242896647879E+04 -0.16897E-04 -0.41019E-03 2364 0.493E-02 0.163E-01 DAV: 5 -0.242896626738E+04 0.21141E-03 -0.28804E-03 2292 0.441E-02 0.666E-02 DAV: 6 -0.242896623830E+04 0.29086E-04 -0.40156E-04 2031 0.214E-02 0.313E-02 DAV: 7 -0.242896623022E+04 0.80705E-05 -0.72641E-05 1923 0.111E-02 264 F= -.24289662E+04 E0= -.24290486E+04 d E =-.417701E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242896531119E+04 0.92711E-03 -0.82893E-01 1704 0.110E+00 0.212E-01 DAV: 2 -0.242896694305E+04 -0.16319E-02 -0.18841E-02 1977 0.151E-01 0.115E-01 DAV: 3 -0.242896683121E+04 0.11184E-03 -0.62047E-04 2094 0.275E-02 0.792E-02 DAV: 4 -0.242896683925E+04 -0.80361E-05 -0.11317E-03 2355 0.269E-02 0.840E-02 DAV: 5 -0.242896677808E+04 0.61171E-04 -0.77722E-04 2292 0.232E-02 0.336E-02 DAV: 6 -0.242896677140E+04 0.66749E-05 -0.11367E-04 1995 0.111E-02 0.171E-02 DAV: 7 -0.242896676832E+04 0.30840E-05 -0.19625E-05 1239 0.604E-03 265 F= -.24289668E+04 E0= -.24290493E+04 d E =-.471511E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242896541182E+04 0.13596E-02 -0.34066E+00 1704 0.223E+00 0.416E-01 DAV: 2 -0.242897189920E+04 -0.64874E-02 -0.74759E-02 1941 0.300E-01 0.227E-01 DAV: 3 -0.242897141420E+04 0.48500E-03 -0.14061E-03 2076 0.495E-02 0.144E-01 DAV: 4 -0.242897144809E+04 -0.33891E-04 -0.33201E-03 2175 0.580E-02 0.144E-01 DAV: 5 -0.242897124087E+04 0.20722E-03 -0.25369E-03 2247 0.377E-02 0.543E-02 DAV: 6 -0.242897123304E+04 0.78262E-05 -0.23466E-04 1995 0.165E-02 0.318E-02 DAV: 7 -0.242897122508E+04 0.79600E-05 -0.71577E-05 1878 0.111E-02 266 F= -.24289712E+04 E0= -.24290536E+04 d E =-.445676E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242896994969E+04 0.12833E-02 -0.11179E+00 1704 0.128E+00 0.241E-01 DAV: 2 -0.242897210973E+04 -0.21600E-02 -0.24767E-02 1950 0.173E-01 0.130E-01 DAV: 3 -0.242897195379E+04 0.15594E-03 -0.45602E-04 2076 0.289E-02 0.821E-02 DAV: 4 -0.242897195405E+04 -0.26243E-06 -0.95153E-04 2148 0.333E-02 0.685E-02 DAV: 5 -0.242897189950E+04 0.54550E-04 -0.67059E-04 2247 0.215E-02 0.302E-02 DAV: 6 -0.242897189454E+04 0.49596E-05 -0.80254E-05 1824 0.931E-03 267 F= -.24289719E+04 E0= -.24290541E+04 d E =-.512623E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242896958189E+04 0.23176E-02 -0.40299E+00 1704 0.242E+00 0.457E-01 DAV: 2 -0.242897727502E+04 -0.76931E-02 -0.89622E-02 1968 0.326E-01 0.251E-01 DAV: 3 -0.242897679858E+04 0.47644E-03 -0.34780E-03 2121 0.619E-02 0.178E-01 DAV: 4 -0.242897677881E+04 0.19772E-04 -0.51965E-03 2355 0.564E-02 0.170E-01 DAV: 5 -0.242897649811E+04 0.28070E-03 -0.30028E-03 2229 0.534E-02 0.658E-02 DAV: 6 -0.242897647451E+04 0.23600E-04 -0.60565E-04 2031 0.260E-02 0.354E-02 DAV: 7 -0.242897646281E+04 0.11694E-04 -0.94626E-05 1986 0.126E-02 0.229E-02 DAV: 8 -0.242897645896E+04 0.38496E-05 -0.43819E-05 1770 0.832E-03 268 F= -.24289765E+04 E0= -.24290584E+04 d E =-.456442E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242897531089E+04 0.11519E-02 -0.96558E-01 1704 0.119E+00 0.224E-01 DAV: 2 -0.242897716489E+04 -0.18540E-02 -0.21517E-02 1968 0.160E-01 0.123E-01 DAV: 3 -0.242897705007E+04 0.11482E-03 -0.86018E-04 2121 0.303E-02 0.885E-02 DAV: 4 -0.242897704654E+04 0.35250E-05 -0.12770E-03 2373 0.273E-02 0.865E-02 DAV: 5 -0.242897697066E+04 0.75886E-04 -0.68986E-04 2211 0.261E-02 0.301E-02 DAV: 6 -0.242897696666E+04 0.39910E-05 -0.13728E-04 2031 0.128E-02 0.165E-02 DAV: 7 -0.242897696343E+04 0.32329E-05 -0.19886E-05 1212 0.640E-03 269 F= -.24289770E+04 E0= -.24290587E+04 d E =-.506889E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242897360081E+04 0.33659E-02 -0.45859E+00 1704 0.259E+00 0.483E-01 DAV: 2 -0.242898244145E+04 -0.88406E-02 -0.10230E-01 1959 0.350E-01 0.272E-01 DAV: 3 -0.242898197314E+04 0.46831E-03 -0.53351E-03 2148 0.725E-02 0.218E-01 DAV: 4 -0.242898167650E+04 0.29664E-03 -0.54084E-03 2265 0.593E-02 0.169E-01 DAV: 5 -0.242898146442E+04 0.21209E-03 -0.30208E-03 2112 0.579E-02 0.743E-02 DAV: 6 -0.242898141634E+04 0.48075E-04 -0.10214E-03 2076 0.291E-02 0.368E-02 DAV: 7 -0.242898140406E+04 0.12287E-04 -0.10055E-04 2004 0.133E-02 0.242E-02 DAV: 8 -0.242898139830E+04 0.57527E-05 -0.56331E-05 1941 0.105E-02 270 F= -.24289814E+04 E0= -.24290637E+04 d E =-.443487E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242897944439E+04 0.19597E-02 -0.13413E+00 1704 0.140E+00 0.262E-01 DAV: 2 -0.242898203996E+04 -0.25956E-02 -0.29957E-02 1959 0.189E-01 0.147E-01 DAV: 3 -0.242898190395E+04 0.13602E-03 -0.15547E-03 2166 0.392E-02 0.118E-01 DAV: 4 -0.242898181831E+04 0.85640E-04 -0.15802E-03 2247 0.321E-02 0.921E-02 DAV: 5 -0.242898174935E+04 0.68962E-04 -0.86023E-04 2094 0.315E-02 0.375E-02 DAV: 6 -0.242898173790E+04 0.11450E-04 -0.27406E-04 2067 0.158E-02 0.196E-02 DAV: 7 -0.242898173371E+04 0.41849E-05 -0.28170E-05 1437 0.743E-03 271 F= -.24289817E+04 E0= -.24290643E+04 d E =-.477028E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242897964713E+04 0.20908E-02 -0.34996E+00 1704 0.226E+00 0.403E-01 DAV: 2 -0.242898628034E+04 -0.66332E-02 -0.75966E-02 1941 0.300E-01 0.223E-01 DAV: 3 -0.242898582148E+04 0.45886E-03 -0.12821E-03 2067 0.470E-02 0.143E-01 DAV: 4 -0.242898575354E+04 0.67941E-04 -0.21516E-03 2058 0.556E-02 0.926E-02 DAV: 5 -0.242898563676E+04 0.11677E-03 -0.11702E-03 2067 0.333E-02 0.384E-02 DAV: 6 -0.242898562954E+04 0.72251E-05 -0.12251E-04 1986 0.138E-02 0.286E-02 DAV: 7 -0.242898562546E+04 0.40754E-05 -0.64625E-05 1842 0.971E-03 272 F= -.24289856E+04 E0= -.24290685E+04 d E =-.389175E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242897732116E+04 0.83084E-02 -0.58595E+00 1704 0.292E+00 0.523E-01 DAV: 2 -0.242898843646E+04 -0.11115E-01 -0.12727E-01 1941 0.389E-01 0.288E-01 DAV: 3 -0.242898768094E+04 0.75552E-03 -0.21365E-03 2067 0.612E-02 0.186E-01 DAV: 4 -0.242898770944E+04 -0.28500E-04 -0.39333E-03 2112 0.732E-02 0.156E-01 DAV: 5 -0.242898738667E+04 0.32278E-03 -0.27479E-03 2202 0.501E-02 0.709E-02 DAV: 6 -0.242898735916E+04 0.27506E-04 -0.54033E-04 2076 0.210E-02 0.428E-02 DAV: 7 -0.242898734463E+04 0.14527E-04 -0.10754E-04 1959 0.129E-02 0.262E-02 DAV: 8 -0.242898733811E+04 0.65224E-05 -0.44181E-05 1833 0.883E-03 273 F= -.24289873E+04 E0= -.24290703E+04 d E =-.560440E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242898446951E+04 0.28751E-02 -0.47389E+00 1704 0.263E+00 0.488E-01 DAV: 2 -0.242899360327E+04 -0.91338E-02 -0.10572E-01 1959 0.355E-01 0.285E-01 DAV: 3 -0.242899318800E+04 0.41526E-03 -0.71079E-03 2175 0.812E-02 0.242E-01 DAV: 4 -0.242899267050E+04 0.51750E-03 -0.52835E-03 2247 0.619E-02 0.162E-01 DAV: 5 -0.242899251652E+04 0.15398E-03 -0.33398E-03 2076 0.585E-02 0.780E-02 DAV: 6 -0.242899245759E+04 0.58937E-04 -0.10051E-03 2067 0.292E-02 0.370E-02 DAV: 7 -0.242899244679E+04 0.10793E-04 -0.10899E-04 1995 0.139E-02 0.237E-02 DAV: 8 -0.242899244256E+04 0.42273E-05 -0.58064E-05 1932 0.101E-02 274 F= -.24289924E+04 E0= -.24290747E+04 d E =-.510445E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242899058396E+04 0.18628E-02 -0.13420E+00 1704 0.140E+00 0.261E-01 DAV: 2 -0.242899317414E+04 -0.25902E-02 -0.29902E-02 1968 0.189E-01 0.151E-01 DAV: 3 -0.242899306275E+04 0.11139E-03 -0.19681E-03 2175 0.432E-02 0.130E-01 DAV: 4 -0.242899291525E+04 0.14751E-03 -0.15424E-03 2229 0.329E-02 0.866E-02 DAV: 5 -0.242899286680E+04 0.48442E-04 -0.92183E-04 2094 0.313E-02 0.404E-02 DAV: 6 -0.242899285089E+04 0.15914E-04 -0.28602E-04 2067 0.159E-02 0.196E-02 DAV: 7 -0.242899284734E+04 0.35522E-05 -0.30899E-05 1554 0.758E-03 275 F= -.24289928E+04 E0= -.24290746E+04 d E =-.550923E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242898760616E+04 0.52447E-02 -0.56862E+00 1704 0.287E+00 0.518E-01 DAV: 2 -0.242899838476E+04 -0.10779E-01 -0.12532E-01 1950 0.386E-01 0.304E-01 DAV: 3 -0.242899774093E+04 0.64383E-03 -0.69300E-03 2157 0.758E-02 0.230E-01 DAV: 4 -0.242899751080E+04 0.23013E-03 -0.67280E-03 2355 0.627E-02 0.201E-01 DAV: 5 -0.242899723409E+04 0.27672E-03 -0.41803E-03 2157 0.613E-02 0.868E-02 DAV: 6 -0.242899716603E+04 0.68058E-04 -0.11725E-03 2022 0.318E-02 0.409E-02 DAV: 7 -0.242899715086E+04 0.15165E-04 -0.13023E-04 2004 0.144E-02 0.263E-02 DAV: 8 -0.242899714548E+04 0.53808E-05 -0.80309E-05 1941 0.116E-02 276 F= -.24289971E+04 E0= -.24290787E+04 d E =-.429814E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242899545800E+04 0.16929E-02 -0.11643E+00 1704 0.130E+00 0.236E-01 DAV: 2 -0.242899767716E+04 -0.22192E-02 -0.25684E-02 1950 0.175E-01 0.137E-01 DAV: 3 -0.242899754926E+04 0.12790E-03 -0.13553E-03 2157 0.343E-02 0.103E-01 DAV: 4 -0.242899750789E+04 0.41366E-04 -0.14482E-03 2373 0.285E-02 0.912E-02 DAV: 5 -0.242899744460E+04 0.63286E-04 -0.83319E-04 2157 0.279E-02 0.373E-02 DAV: 6 -0.242899743196E+04 0.12643E-04 -0.23680E-04 2040 0.146E-02 0.177E-02 DAV: 7 -0.242899742864E+04 0.33236E-05 -0.25178E-05 1293 0.675E-03 277 F= -.24289974E+04 E0= -.24290789E+04 d E =-.458130E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242899434235E+04 0.30896E-02 -0.46426E+00 1704 0.260E+00 0.486E-01 DAV: 2 -0.242900306346E+04 -0.87211E-02 -0.10208E-01 1968 0.351E-01 0.272E-01 DAV: 3 -0.242900246846E+04 0.59500E-03 -0.38518E-03 2094 0.690E-02 0.191E-01 DAV: 4 -0.242900232469E+04 0.14377E-03 -0.41259E-03 2202 0.604E-02 0.162E-01 DAV: 5 -0.242900211441E+04 0.21028E-03 -0.37058E-03 2175 0.559E-02 0.993E-02 DAV: 6 -0.242900203639E+04 0.78021E-04 -0.13624E-03 2121 0.281E-02 0.402E-02 DAV: 7 -0.242900202673E+04 0.96579E-05 -0.12197E-04 2004 0.137E-02 0.250E-02 DAV: 8 -0.242900202236E+04 0.43696E-05 -0.60221E-05 1869 0.101E-02 278 F= -.24290020E+04 E0= -.24290842E+04 d E =-.459372E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242900158995E+04 0.43678E-03 -0.37659E-01 1704 0.741E-01 0.140E-01 DAV: 2 -0.242900230937E+04 -0.71942E-03 -0.83356E-03 1977 0.100E-01 0.768E-02 DAV: 3 -0.242900226261E+04 0.46763E-04 -0.28658E-04 2094 0.195E-02 0.534E-02 DAV: 4 -0.242900225597E+04 0.66337E-05 -0.33634E-04 2166 0.176E-02 0.476E-02 DAV: 5 -0.242900223615E+04 0.19817E-04 -0.31213E-04 2166 0.159E-02 0.273E-02 DAV: 6 -0.242900222983E+04 0.63263E-05 -0.10318E-04 1581 0.808E-03 0.108E-02 DAV: 7 -0.242900222908E+04 0.74427E-06 -0.10336E-05 1077 0.422E-03 279 F= -.24290022E+04 E0= -.24290847E+04 d E =-.480045E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242900069302E+04 0.15368E-02 -0.31670E+00 1704 0.215E+00 0.422E-01 DAV: 2 -0.242900662871E+04 -0.59357E-02 -0.69913E-02 1995 0.290E-01 0.224E-01 DAV: 3 -0.242900614521E+04 0.48349E-03 -0.22304E-03 2094 0.539E-02 0.148E-01 DAV: 4 -0.242900606491E+04 0.80300E-04 -0.26397E-03 2112 0.508E-02 0.113E-01 DAV: 5 -0.242900588296E+04 0.18195E-03 -0.14324E-03 2076 0.398E-02 0.394E-02 DAV: 6 -0.242900588619E+04 -0.32323E-05 -0.34897E-04 2031 0.181E-02 0.334E-02 DAV: 7 -0.242900587608E+04 0.10108E-04 -0.86720E-05 1752 0.100E-02 0.187E-02 DAV: 8 -0.242900587423E+04 0.18568E-05 -0.23661E-05 1149 0.613E-03 280 F= -.24290059E+04 E0= -.24290882E+04 d E =-.364514E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242900581449E+04 0.61595E-04 -0.72629E-02 1716 0.326E-01 0.658E-02 DAV: 2 -0.242900595476E+04 -0.14027E-03 -0.16335E-03 2013 0.444E-02 0.340E-02 DAV: 3 -0.242900594391E+04 0.10844E-04 -0.47804E-05 1698 0.871E-03 0.224E-02 DAV: 4 -0.242900594142E+04 0.24893E-05 -0.43490E-05 1356 0.813E-03 281 F= -.24290059E+04 E0= -.24290882E+04 d E =-.371234E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242900556043E+04 0.38348E-03 -0.24767E+00 1704 0.190E+00 0.367E-01 DAV: 2 -0.242901009540E+04 -0.45350E-02 -0.53433E-02 1977 0.254E-01 0.198E-01 DAV: 3 -0.242900973003E+04 0.36537E-03 -0.17574E-03 2094 0.471E-02 0.131E-01 DAV: 4 -0.242900972917E+04 0.86689E-06 -0.28609E-03 2220 0.470E-02 0.122E-01 DAV: 5 -0.242900956483E+04 0.16434E-03 -0.20726E-03 2193 0.392E-02 0.570E-02 DAV: 6 -0.242900954500E+04 0.19835E-04 -0.44164E-04 2004 0.183E-02 0.282E-02 DAV: 7 -0.242900953854E+04 0.64521E-05 -0.57063E-05 1788 0.981E-03 282 F= -.24290095E+04 E0= -.24290912E+04 d E =-.359712E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242900892440E+04 0.62059E-03 -0.57003E-01 1704 0.914E-01 0.179E-01 DAV: 2 -0.242901000325E+04 -0.10789E-02 -0.12530E-02 1977 0.123E-01 0.945E-02 DAV: 3 -0.242900991830E+04 0.84955E-04 -0.32814E-04 2094 0.221E-02 0.610E-02 DAV: 4 -0.242900991454E+04 0.37598E-05 -0.53426E-04 2067 0.222E-02 0.483E-02 DAV: 5 -0.242900987948E+04 0.35055E-04 -0.32518E-04 2067 0.160E-02 0.150E-02 DAV: 6 -0.242900987983E+04 -0.34721E-06 -0.39850E-05 1428 0.701E-03 283 F= -.24290099E+04 E0= -.24290913E+04 d E =-.393841E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242901035522E+04 -0.47574E-03 -0.16367E+00 1704 0.155E+00 0.291E-01 DAV: 2 -0.242901339180E+04 -0.30366E-02 -0.35325E-02 1959 0.207E-01 0.168E-01 DAV: 3 -0.242901323644E+04 0.15536E-03 -0.19698E-03 2175 0.437E-02 0.138E-01 DAV: 4 -0.242901312879E+04 0.10765E-03 -0.22387E-03 2265 0.364E-02 0.104E-01 DAV: 5 -0.242901303636E+04 0.92436E-04 -0.10065E-03 2067 0.328E-02 0.313E-02 DAV: 6 -0.242901303614E+04 0.21965E-06 -0.20277E-04 2049 0.148E-02 0.216E-02 DAV: 7 -0.242901303049E+04 0.56501E-05 -0.34395E-05 1419 0.795E-03 284 F= -.24290130E+04 E0= -.24290948E+04 d E =-.315066E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242901070608E+04 0.23301E-02 -0.21296E+00 1704 0.176E+00 0.331E-01 DAV: 2 -0.242901466244E+04 -0.39564E-02 -0.45886E-02 1959 0.236E-01 0.188E-01 DAV: 3 -0.242901443028E+04 0.23216E-03 -0.20653E-03 2139 0.474E-02 0.146E-01 DAV: 4 -0.242901435573E+04 0.74549E-04 -0.28591E-03 2373 0.418E-02 0.125E-01 DAV: 5 -0.242901420061E+04 0.15512E-03 -0.14082E-03 2112 0.376E-02 0.344E-02 DAV: 6 -0.242901420498E+04 -0.43619E-05 -0.26705E-04 2013 0.169E-02 0.249E-02 DAV: 7 -0.242901419759E+04 0.73873E-05 -0.48712E-05 1761 0.916E-03 285 F= -.24290142E+04 E0= -.24290964E+04 d E =-.431776E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242901401894E+04 0.18603E-03 -0.23159E+00 1704 0.184E+00 0.349E-01 DAV: 2 -0.242901837677E+04 -0.43578E-02 -0.50877E-02 1977 0.246E-01 0.207E-01 DAV: 3 -0.242901820161E+04 0.17516E-03 -0.46111E-03 2256 0.591E-02 0.186E-01 DAV: 4 -0.242901790040E+04 0.30121E-03 -0.35603E-03 2274 0.435E-02 0.114E-01 DAV: 5 -0.242901784772E+04 0.52678E-04 -0.14267E-03 2076 0.404E-02 0.551E-02 DAV: 6 -0.242901781147E+04 0.36258E-04 -0.52192E-04 2076 0.209E-02 0.241E-02 DAV: 7 -0.242901780673E+04 0.47403E-05 -0.48947E-05 1743 0.912E-03 286 F= -.24290178E+04 E0= -.24291003E+04 d E =-.360914E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242901656008E+04 0.12514E-02 -0.12299E+00 1704 0.134E+00 0.256E-01 DAV: 2 -0.242901889463E+04 -0.23345E-02 -0.27118E-02 1977 0.180E-01 0.151E-01 DAV: 3 -0.242901880237E+04 0.92257E-04 -0.24245E-03 2256 0.432E-02 0.136E-01 DAV: 4 -0.242901863940E+04 0.16297E-03 -0.18821E-03 2283 0.321E-02 0.826E-02 DAV: 5 -0.242901860656E+04 0.32841E-04 -0.71960E-04 2040 0.294E-02 0.365E-02 DAV: 6 -0.242901859243E+04 0.14131E-04 -0.24210E-04 2067 0.147E-02 0.179E-02 DAV: 7 -0.242901858907E+04 0.33680E-05 -0.23709E-05 1221 0.676E-03 287 F= -.24290186E+04 E0= -.24291013E+04 d E =-.439148E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242901764957E+04 0.94287E-03 -0.29083E+00 1704 0.206E+00 0.389E-01 DAV: 2 -0.242902303711E+04 -0.53875E-02 -0.62826E-02 1950 0.277E-01 0.213E-01 DAV: 3 -0.242902259944E+04 0.43767E-03 -0.12470E-03 2094 0.479E-02 0.137E-01 DAV: 4 -0.242902266609E+04 -0.66654E-04 -0.26572E-03 2211 0.532E-02 0.141E-01 DAV: 5 -0.242902239958E+04 0.26652E-03 -0.20516E-03 2265 0.399E-02 0.403E-02 DAV: 6 -0.242902240892E+04 -0.93385E-05 -0.24966E-04 1986 0.157E-02 0.287E-02 DAV: 7 -0.242902240150E+04 0.74207E-05 -0.58171E-05 1743 0.950E-03 288 F= -.24290224E+04 E0= -.24291046E+04 d E =-.381243E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242902189329E+04 0.51563E-03 -0.51370E-01 1704 0.868E-01 0.167E-01 DAV: 2 -0.242902286220E+04 -0.96891E-03 -0.11246E-02 1968 0.117E-01 0.894E-02 DAV: 3 -0.242902278601E+04 0.76187E-04 -0.21921E-04 2085 0.205E-02 0.563E-02 DAV: 4 -0.242902277849E+04 0.75194E-05 -0.31859E-04 2094 0.220E-02 0.417E-02 DAV: 5 -0.242902275309E+04 0.25408E-04 -0.23172E-04 2103 0.150E-02 0.188E-02 DAV: 6 -0.242902275092E+04 0.21706E-05 -0.45683E-05 1347 0.651E-03 289 F= -.24290228E+04 E0= -.24291047E+04 d E =-.416185E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242902200300E+04 0.75009E-03 -0.24787E+00 1704 0.190E+00 0.370E-01 DAV: 2 -0.242902654618E+04 -0.45432E-02 -0.54003E-02 1986 0.256E-01 0.207E-01 DAV: 3 -0.242902627024E+04 0.27594E-03 -0.32186E-03 2157 0.565E-02 0.162E-01 DAV: 4 -0.242902611892E+04 0.15131E-03 -0.31184E-03 2328 0.459E-02 0.130E-01 DAV: 5 -0.242902598839E+04 0.13053E-03 -0.19557E-03 2130 0.428E-02 0.535E-02 DAV: 6 -0.242902596421E+04 0.24181E-04 -0.54180E-04 2031 0.221E-02 0.271E-02 DAV: 7 -0.242902595755E+04 0.66602E-05 -0.61491E-05 1896 0.106E-02 290 F= -.24290260E+04 E0= -.24291080E+04 d E =-.320664E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242902556034E+04 0.40388E-03 -0.39317E-01 1704 0.759E-01 0.150E-01 DAV: 2 -0.242902630355E+04 -0.74321E-03 -0.87006E-03 1986 0.103E-01 0.824E-02 DAV: 3 -0.242902625993E+04 0.43615E-04 -0.48520E-04 2157 0.228E-02 0.644E-02 DAV: 4 -0.242902623668E+04 0.23255E-04 -0.51428E-04 2283 0.187E-02 0.518E-02 DAV: 5 -0.242902621444E+04 0.22236E-04 -0.30250E-04 2121 0.174E-02 0.218E-02 DAV: 6 -0.242902620991E+04 0.45267E-05 -0.83990E-05 1599 0.897E-03 291 F= -.24290262E+04 E0= -.24291083E+04 d E =-.345900E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242902532062E+04 0.89382E-03 -0.23983E+00 1704 0.187E+00 0.359E-01 DAV: 2 -0.242902973317E+04 -0.44125E-02 -0.52121E-02 1977 0.251E-01 0.199E-01 DAV: 3 -0.242902936220E+04 0.37097E-03 -0.15091E-03 2094 0.477E-02 0.128E-01 DAV: 4 -0.242902931910E+04 0.43095E-04 -0.20956E-03 2121 0.479E-02 0.932E-02 DAV: 5 -0.242902921236E+04 0.10674E-03 -0.12228E-03 2067 0.354E-02 0.444E-02 DAV: 6 -0.242902920240E+04 0.99584E-05 -0.27814E-04 2013 0.158E-02 0.294E-02 DAV: 7 -0.242902919367E+04 0.87347E-05 -0.55488E-05 1635 0.950E-03 292 F= -.24290292E+04 E0= -.24291114E+04 d E =-.298375E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242902895375E+04 0.24865E-03 -0.24265E-01 1704 0.596E-01 0.117E-01 DAV: 2 -0.242902941881E+04 -0.46506E-03 -0.53798E-03 1977 0.807E-02 0.633E-02 DAV: 3 -0.242902938333E+04 0.35478E-04 -0.15435E-04 2103 0.154E-02 0.412E-02 DAV: 4 -0.242902938141E+04 0.19186E-05 -0.25226E-04 2103 0.157E-02 0.337E-02 DAV: 5 -0.242902936798E+04 0.13430E-04 -0.15771E-04 2022 0.116E-02 0.135E-02 DAV: 6 -0.242902936745E+04 0.53229E-06 -0.26130E-05 1077 0.504E-03 293 F= -.24290294E+04 E0= -.24291116E+04 d E =-.315754E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242902768318E+04 0.16848E-02 -0.27714E+00 1704 0.202E+00 0.385E-01 DAV: 2 -0.242903279742E+04 -0.51142E-02 -0.60372E-02 1977 0.272E-01 0.215E-01 DAV: 3 -0.242903245721E+04 0.34022E-03 -0.27035E-03 2121 0.558E-02 0.167E-01 DAV: 4 -0.242903235376E+04 0.10345E-03 -0.38795E-03 2328 0.474E-02 0.142E-01 DAV: 5 -0.242903214216E+04 0.21160E-03 -0.18688E-03 2112 0.437E-02 0.382E-02 DAV: 6 -0.242903214974E+04 -0.75747E-05 -0.38440E-04 2004 0.201E-02 0.281E-02 DAV: 7 -0.242903214134E+04 0.83947E-05 -0.53247E-05 1797 0.971E-03 294 F= -.24290321E+04 E0= -.24291139E+04 d E =-.277389E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242903208428E+04 0.65452E-04 -0.51712E-02 1716 0.276E-01 0.562E-02 DAV: 2 -0.242903218806E+04 -0.10378E-03 -0.11996E-03 1986 0.383E-02 0.295E-02 DAV: 3 -0.242903218102E+04 0.70379E-05 -0.49764E-05 1536 0.797E-03 295 F= -.24290322E+04 E0= -.24291138E+04 d E =-.281357E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242903105760E+04 0.11305E-02 -0.26546E+00 1704 0.197E+00 0.382E-01 DAV: 2 -0.242903589629E+04 -0.48387E-02 -0.57694E-02 1986 0.264E-01 0.222E-01 DAV: 3 -0.242903559411E+04 0.30219E-03 -0.43750E-03 2229 0.572E-02 0.186E-01 DAV: 4 -0.242903539596E+04 0.19814E-03 -0.46293E-03 2319 0.460E-02 0.136E-01 DAV: 5 -0.242903524487E+04 0.15109E-03 -0.16246E-03 2067 0.424E-02 0.489E-02 DAV: 6 -0.242903522912E+04 0.15748E-04 -0.54858E-04 2022 0.219E-02 0.262E-02 DAV: 7 -0.242903522300E+04 0.61261E-05 -0.59336E-05 1887 0.101E-02 296 F= -.24290352E+04 E0= -.24291171E+04 d E =-.304197E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242903475156E+04 0.47756E-03 -0.39896E-01 1704 0.766E-01 0.150E-01 DAV: 2 -0.242903552272E+04 -0.77116E-03 -0.90731E-03 1986 0.104E-01 0.890E-02 DAV: 3 -0.242903549051E+04 0.32211E-04 -0.10368E-03 2328 0.253E-02 0.823E-02 DAV: 4 -0.242903543222E+04 0.58284E-04 -0.69060E-04 2301 0.184E-02 0.471E-02 DAV: 5 -0.242903542276E+04 0.94604E-05 -0.24392E-04 2013 0.169E-02 0.233E-02 DAV: 6 -0.242903541463E+04 0.81320E-05 -0.10205E-04 1635 0.942E-03 0.980E-03 DAV: 7 -0.242903541342E+04 0.12098E-05 -0.99575E-06 1041 0.478E-03 297 F= -.24290354E+04 E0= -.24291175E+04 d E =-.323240E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242903464435E+04 0.77028E-03 -0.21308E+00 1704 0.177E+00 0.330E-01 DAV: 2 -0.242903853160E+04 -0.38873E-02 -0.45967E-02 1968 0.235E-01 0.195E-01 DAV: 3 -0.242903830644E+04 0.22516E-03 -0.33593E-03 2220 0.506E-02 0.164E-01 DAV: 4 -0.242903814535E+04 0.16109E-03 -0.33989E-03 2310 0.405E-02 0.119E-01 DAV: 5 -0.242903803069E+04 0.11466E-03 -0.12380E-03 2067 0.373E-02 0.406E-02 DAV: 6 -0.242903802267E+04 0.80264E-05 -0.41673E-04 2013 0.187E-02 0.233E-02 DAV: 7 -0.242903801734E+04 0.53273E-05 -0.44749E-05 1644 0.872E-03 298 F= -.24290380E+04 E0= -.24291205E+04 d E =-.260392E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242903744073E+04 0.58194E-03 -0.55456E-01 1704 0.901E-01 0.171E-01 DAV: 2 -0.242903847512E+04 -0.10344E-02 -0.12120E-02 1968 0.121E-01 0.993E-02 DAV: 3 -0.242903841889E+04 0.56222E-04 -0.90438E-04 2229 0.261E-02 0.835E-02 DAV: 4 -0.242903837738E+04 0.41514E-04 -0.87027E-04 2283 0.209E-02 0.604E-02 DAV: 5 -0.242903835043E+04 0.26947E-04 -0.33768E-04 2040 0.193E-02 0.228E-02 DAV: 6 -0.242903834611E+04 0.43259E-05 -0.11791E-04 1887 0.993E-03 0.119E-02 DAV: 7 -0.242903834449E+04 0.16146E-05 -0.11634E-05 1032 0.485E-03 299 F= -.24290383E+04 E0= -.24291210E+04 d E =-.293107E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242903767042E+04 0.67569E-03 -0.20854E+00 1704 0.175E+00 0.339E-01 DAV: 2 -0.242904151310E+04 -0.38427E-02 -0.45559E-02 1968 0.237E-01 0.186E-01 DAV: 3 -0.242904118763E+04 0.32547E-03 -0.13995E-03 2094 0.454E-02 0.123E-01 DAV: 4 -0.242904116234E+04 0.25292E-04 -0.18882E-03 2085 0.429E-02 0.104E-01 DAV: 5 -0.242904103042E+04 0.13192E-03 -0.14723E-03 2148 0.366E-02 0.517E-02 DAV: 6 -0.242904101559E+04 0.14834E-04 -0.38649E-04 2076 0.165E-02 0.287E-02 DAV: 7 -0.242904100682E+04 0.87686E-05 -0.50454E-05 1617 0.951E-03 300 F= -.24290410E+04 E0= -.24291233E+04 d E =-.266232E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242904081543E+04 0.20016E-03 -0.20341E-01 1710 0.547E-01 0.109E-01 DAV: 2 -0.242904120401E+04 -0.38858E-03 -0.45592E-03 1977 0.749E-02 0.580E-02 DAV: 3 -0.242904117241E+04 0.31602E-04 -0.13320E-04 2094 0.147E-02 0.380E-02 DAV: 4 -0.242904116900E+04 0.34055E-05 -0.18609E-04 2067 0.138E-02 0.301E-02 DAV: 5 -0.242904115481E+04 0.14195E-04 -0.11385E-04 1860 0.113E-02 0.126E-02 DAV: 6 -0.242904115419E+04 0.61785E-06 -0.28186E-05 1131 0.513E-03 301 F= -.24290412E+04 E0= -.24291232E+04 d E =-.280970E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242904045165E+04 0.70315E-03 -0.20898E+00 1704 0.175E+00 0.338E-01 DAV: 2 -0.242904433270E+04 -0.38810E-02 -0.46321E-02 1977 0.237E-01 0.194E-01 DAV: 3 -0.242904403871E+04 0.29398E-03 -0.28818E-03 2121 0.519E-02 0.141E-01 DAV: 4 -0.242904390775E+04 0.13096E-03 -0.23948E-03 2292 0.408E-02 0.108E-01 DAV: 5 -0.242904387376E+04 0.33989E-04 -0.19376E-03 2220 0.383E-02 0.781E-02 DAV: 6 -0.242904379754E+04 0.76219E-04 -0.71504E-04 2058 0.217E-02 0.250E-02 DAV: 7 -0.242904379745E+04 0.88825E-07 -0.72639E-05 1887 0.105E-02 302 F= -.24290438E+04 E0= -.24291257E+04 d E =-.264326E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242904338924E+04 0.40830E-03 -0.40493E-01 1704 0.771E-01 0.151E-01 DAV: 2 -0.242904416283E+04 -0.77359E-03 -0.91136E-03 1977 0.105E-01 0.854E-02 DAV: 3 -0.242904410791E+04 0.54913E-04 -0.57465E-04 2121 0.231E-02 0.615E-02 DAV: 4 -0.242904408228E+04 0.25640E-04 -0.47987E-04 2229 0.183E-02 0.458E-02 DAV: 5 -0.242904407469E+04 0.75874E-05 -0.32393E-04 2175 0.166E-02 0.320E-02 DAV: 6 -0.242904406231E+04 0.12377E-04 -0.11773E-04 1545 0.909E-03 0.109E-02 DAV: 7 -0.242904406178E+04 0.53216E-06 -0.12967E-05 1095 0.502E-03 303 F= -.24290441E+04 E0= -.24291259E+04 d E =-.290759E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242904279547E+04 0.12668E-02 -0.24465E+00 1704 0.189E+00 0.354E-01 DAV: 2 -0.242904724842E+04 -0.44530E-02 -0.52456E-02 1968 0.253E-01 0.198E-01 DAV: 3 -0.242904689507E+04 0.35335E-03 -0.13541E-03 2094 0.457E-02 0.129E-01 DAV: 4 -0.242904691430E+04 -0.19226E-04 -0.23589E-03 2202 0.469E-02 0.126E-01 DAV: 5 -0.242904674682E+04 0.16747E-03 -0.19473E-03 2283 0.374E-02 0.574E-02 DAV: 6 -0.242904672343E+04 0.23396E-04 -0.43145E-04 2040 0.175E-02 0.277E-02 DAV: 7 -0.242904671746E+04 0.59669E-05 -0.60608E-05 1842 0.100E-02 304 F= -.24290467E+04 E0= -.24291290E+04 d E =-.265568E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242904648150E+04 0.24192E-03 -0.22691E-01 1704 0.577E-01 0.111E-01 DAV: 2 -0.242904690985E+04 -0.42835E-03 -0.49938E-03 1968 0.780E-02 0.603E-02 DAV: 3 -0.242904687850E+04 0.31346E-04 -0.13331E-04 2103 0.144E-02 0.391E-02 DAV: 4 -0.242904687864E+04 -0.13926E-06 -0.24069E-04 2157 0.145E-02 0.353E-02 DAV: 5 -0.242904686346E+04 0.15181E-04 -0.15562E-04 1860 0.112E-02 0.154E-02 DAV: 6 -0.242904686199E+04 0.14776E-05 -0.32694E-05 1140 0.516E-03 305 F= -.24290469E+04 E0= -.24291293E+04 d E =-.280021E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242904560653E+04 0.12569E-02 -0.23858E+00 1704 0.187E+00 0.348E-01 DAV: 2 -0.242904998822E+04 -0.43817E-02 -0.51474E-02 1959 0.251E-01 0.194E-01 DAV: 3 -0.242904964195E+04 0.34627E-03 -0.13817E-03 2076 0.446E-02 0.127E-01 DAV: 4 -0.242904964293E+04 -0.97477E-06 -0.24366E-03 2193 0.467E-02 0.117E-01 DAV: 5 -0.242904948606E+04 0.15687E-03 -0.17369E-03 2238 0.359E-02 0.463E-02 DAV: 6 -0.242904948025E+04 0.58084E-05 -0.30266E-04 1995 0.155E-02 0.285E-02 DAV: 7 -0.242904947316E+04 0.70900E-05 -0.50028E-05 1581 0.852E-03 306 F= -.24290495E+04 E0= -.24291318E+04 d E =-.261118E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242904913384E+04 0.34642E-03 -0.31731E-01 1704 0.683E-01 0.130E-01 DAV: 2 -0.242904973791E+04 -0.60407E-03 -0.70064E-03 1977 0.925E-02 0.706E-02 DAV: 3 -0.242904969322E+04 0.44692E-04 -0.17387E-04 2076 0.164E-02 0.455E-02 DAV: 4 -0.242904969234E+04 0.87803E-06 -0.32303E-04 2094 0.176E-02 0.379E-02 DAV: 5 -0.242904967353E+04 0.18808E-04 -0.21047E-04 2076 0.125E-02 0.149E-02 DAV: 6 -0.242904967293E+04 0.59667E-06 -0.27586E-05 1131 0.524E-03 307 F= -.24290497E+04 E0= -.24291320E+04 d E =-.281095E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242904820953E+04 0.14640E-02 -0.25189E+00 1704 0.192E+00 0.365E-01 DAV: 2 -0.242905288075E+04 -0.46712E-02 -0.54971E-02 1959 0.257E-01 0.204E-01 DAV: 3 -0.242905254695E+04 0.33380E-03 -0.28775E-03 2130 0.508E-02 0.151E-01 DAV: 4 -0.242905248287E+04 0.64071E-04 -0.35641E-03 2337 0.437E-02 0.134E-01 DAV: 5 -0.242905232197E+04 0.16090E-03 -0.17828E-03 2193 0.404E-02 0.510E-02 DAV: 6 -0.242905230345E+04 0.18521E-04 -0.54295E-04 2013 0.207E-02 0.258E-02 DAV: 7 -0.242905229794E+04 0.55128E-05 -0.59298E-05 1833 0.956E-03 308 F= -.24290523E+04 E0= -.24291347E+04 d E =-.262501E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242905184888E+04 0.45458E-03 -0.39969E-01 1704 0.766E-01 0.148E-01 DAV: 2 -0.242905261200E+04 -0.76313E-03 -0.88503E-03 1959 0.103E-01 0.812E-02 DAV: 3 -0.242905255933E+04 0.52673E-04 -0.43375E-04 2130 0.204E-02 0.589E-02 DAV: 4 -0.242905255118E+04 0.81486E-05 -0.55297E-04 2274 0.178E-02 0.531E-02 DAV: 5 -0.242905252737E+04 0.23805E-04 -0.30691E-04 2148 0.161E-02 0.224E-02 DAV: 6 -0.242905252277E+04 0.46079E-05 -0.84602E-05 1581 0.834E-03 309 F= -.24290525E+04 E0= -.24291349E+04 d E =-.284983E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242905109295E+04 0.14344E-02 -0.24332E+00 1704 0.189E+00 0.354E-01 DAV: 2 -0.242905560800E+04 -0.45150E-02 -0.53029E-02 1959 0.253E-01 0.206E-01 DAV: 3 -0.242905535738E+04 0.25062E-03 -0.36090E-03 2211 0.525E-02 0.169E-01 DAV: 4 -0.242905521003E+04 0.14734E-03 -0.38025E-03 2292 0.429E-02 0.128E-01 DAV: 5 -0.242905508573E+04 0.12430E-03 -0.13589E-03 2067 0.394E-02 0.467E-02 DAV: 6 -0.242905506962E+04 0.16114E-04 -0.41543E-04 2022 0.202E-02 0.251E-02 DAV: 7 -0.242905506364E+04 0.59789E-05 -0.48768E-05 1671 0.956E-03 310 F= -.24290551E+04 E0= -.24291379E+04 d E =-.254087E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242905463035E+04 0.43926E-03 -0.37729E-01 1704 0.744E-01 0.141E-01 DAV: 2 -0.242905535062E+04 -0.72027E-03 -0.83330E-03 1959 0.100E-01 0.806E-02 DAV: 3 -0.242905531317E+04 0.37459E-04 -0.54621E-04 2220 0.209E-02 0.656E-02 DAV: 4 -0.242905529173E+04 0.21433E-04 -0.56711E-04 2274 0.172E-02 0.505E-02 DAV: 5 -0.242905527355E+04 0.18177E-04 -0.22654E-04 2058 0.156E-02 0.196E-02 DAV: 6 -0.242905526970E+04 0.38593E-05 -0.67105E-05 1545 0.812E-03 311 F= -.24290553E+04 E0= -.24291384E+04 d E =-.274693E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242905350710E+04 0.17665E-02 -0.26379E+00 1704 0.197E+00 0.361E-01 DAV: 2 -0.242905834086E+04 -0.48338E-02 -0.56447E-02 1968 0.262E-01 0.204E-01 DAV: 3 -0.242905799137E+04 0.34949E-03 -0.18085E-03 2094 0.472E-02 0.140E-01 DAV: 4 -0.242905803921E+04 -0.47838E-04 -0.38785E-03 2472 0.472E-02 0.149E-01 DAV: 5 -0.242905779519E+04 0.24402E-03 -0.20417E-03 2301 0.397E-02 0.423E-02 DAV: 6 -0.242905780327E+04 -0.80794E-05 -0.28412E-04 2004 0.181E-02 0.274E-02 DAV: 7 -0.242905779650E+04 0.67662E-05 -0.51442E-05 1761 0.940E-03 312 F= -.24290578E+04 E0= -.24291408E+04 d E =-.252681E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242905735101E+04 0.45225E-03 -0.38236E-01 1704 0.749E-01 0.140E-01 DAV: 2 -0.242905807148E+04 -0.72047E-03 -0.83084E-03 1959 0.101E-01 0.773E-02 DAV: 3 -0.242905802239E+04 0.49098E-04 -0.23939E-04 2094 0.181E-02 0.520E-02 DAV: 4 -0.242905803043E+04 -0.80449E-05 -0.51674E-04 2355 0.184E-02 0.559E-02 DAV: 5 -0.242905799728E+04 0.33147E-04 -0.32513E-04 2247 0.150E-02 0.180E-02 DAV: 6 -0.242905799726E+04 0.24302E-07 -0.42756E-05 1500 0.684E-03 313 F= -.24290580E+04 E0= -.24291409E+04 d E =-.272756E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242905646421E+04 0.15331E-02 -0.25363E+00 1704 0.192E+00 0.354E-01 DAV: 2 -0.242906106448E+04 -0.46003E-02 -0.53612E-02 1932 0.255E-01 0.198E-01 DAV: 3 -0.242906070908E+04 0.35540E-03 -0.13478E-03 2085 0.462E-02 0.131E-01 DAV: 4 -0.242906068497E+04 0.24109E-04 -0.16788E-03 2175 0.458E-02 0.117E-01 DAV: 5 -0.242906056139E+04 0.12358E-03 -0.18863E-03 2193 0.386E-02 0.662E-02 DAV: 6 -0.242906052415E+04 0.37235E-04 -0.52554E-04 2094 0.183E-02 0.274E-02 DAV: 7 -0.242906051965E+04 0.45052E-05 -0.51050E-05 1671 0.934E-03 314 F= -.24290605E+04 E0= -.24291432E+04 d E =-.252239E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242905962745E+04 0.89671E-03 -0.75593E-01 1704 0.105E+00 0.195E-01 DAV: 2 -0.242906102612E+04 -0.13987E-02 -0.16154E-02 1941 0.140E-01 0.108E-01 DAV: 3 -0.242906092233E+04 0.10379E-03 -0.39165E-04 2085 0.253E-02 0.712E-02 DAV: 4 -0.242906091678E+04 0.55432E-05 -0.50203E-04 2175 0.253E-02 0.630E-02 DAV: 5 -0.242906087904E+04 0.37743E-04 -0.51912E-04 2184 0.210E-02 0.352E-02 DAV: 6 -0.242906086855E+04 0.10494E-04 -0.14954E-04 1941 0.985E-03 0.152E-02 DAV: 7 -0.242906086680E+04 0.17498E-05 -0.14750E-05 1131 0.529E-03 315 F= -.24290609E+04 E0= -.24291434E+04 d E =-.286954E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242905884762E+04 0.20209E-02 -0.27857E+00 1704 0.202E+00 0.368E-01 DAV: 2 -0.242906391770E+04 -0.50701E-02 -0.59027E-02 1932 0.267E-01 0.207E-01 DAV: 3 -0.242906351996E+04 0.39773E-03 -0.14242E-03 2076 0.459E-02 0.134E-01 DAV: 4 -0.242906346494E+04 0.55029E-04 -0.20640E-03 2085 0.468E-02 0.957E-02 DAV: 5 -0.242906333613E+04 0.12880E-03 -0.13007E-03 2067 0.336E-02 0.334E-02 DAV: 6 -0.242906333444E+04 0.16916E-05 -0.17907E-04 1977 0.140E-02 0.261E-02 DAV: 7 -0.242906332906E+04 0.53856E-05 -0.51441E-05 1491 0.831E-03 316 F= -.24290633E+04 E0= -.24291463E+04 d E =-.246226E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242906273601E+04 0.59843E-03 -0.51206E-01 1704 0.865E-01 0.161E-01 DAV: 2 -0.242906369120E+04 -0.95519E-03 -0.11026E-02 1941 0.115E-01 0.893E-02 DAV: 3 -0.242906362792E+04 0.63286E-04 -0.36571E-04 2085 0.212E-02 0.618E-02 DAV: 4 -0.242906362751E+04 0.40980E-06 -0.57067E-04 2256 0.207E-02 0.604E-02 DAV: 5 -0.242906358984E+04 0.37666E-04 -0.38569E-04 2193 0.183E-02 0.236E-02 DAV: 6 -0.242906358702E+04 0.28221E-05 -0.80832E-05 1725 0.858E-03 317 F= -.24290636E+04 E0= -.24291468E+04 d E =-.272022E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242906220625E+04 0.13836E-02 -0.21783E+00 1704 0.179E+00 0.334E-01 DAV: 2 -0.242906625572E+04 -0.40495E-02 -0.46946E-02 1950 0.239E-01 0.184E-01 DAV: 3 -0.242906598157E+04 0.27415E-03 -0.14518E-03 2094 0.444E-02 0.126E-01 DAV: 4 -0.242906596630E+04 0.15274E-04 -0.19713E-03 2247 0.420E-02 0.117E-01 DAV: 5 -0.242906582710E+04 0.13919E-03 -0.15769E-03 2193 0.384E-02 0.523E-02 DAV: 6 -0.242906581237E+04 0.14728E-04 -0.39721E-04 2004 0.181E-02 0.267E-02 DAV: 7 -0.242906580660E+04 0.57732E-05 -0.46707E-05 1608 0.872E-03 318 F= -.24290658E+04 E0= -.24291493E+04 d E =-.221958E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242906543717E+04 0.37521E-03 -0.31840E-01 1704 0.683E-01 0.130E-01 DAV: 2 -0.242906604880E+04 -0.61164E-03 -0.69999E-03 1968 0.922E-02 0.704E-02 DAV: 3 -0.242906601052E+04 0.38286E-04 -0.20616E-04 2085 0.171E-02 0.476E-02 DAV: 4 -0.242906600932E+04 0.11971E-05 -0.28682E-04 2094 0.162E-02 0.430E-02 DAV: 5 -0.242906599028E+04 0.19042E-04 -0.22072E-04 2130 0.146E-02 0.209E-02 DAV: 6 -0.242906598732E+04 0.29549E-05 -0.56995E-05 1365 0.677E-03 319 F= -.24290660E+04 E0= -.24291496E+04 d E =-.240030E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242906434551E+04 0.16448E-02 -0.23233E+00 1704 0.184E+00 0.338E-01 DAV: 2 -0.242906862709E+04 -0.42816E-02 -0.49397E-02 1941 0.244E-01 0.187E-01 DAV: 3 -0.242906831853E+04 0.30856E-03 -0.11555E-03 2085 0.420E-02 0.124E-01 DAV: 4 -0.242906837640E+04 -0.57874E-04 -0.24921E-03 2337 0.458E-02 0.135E-01 DAV: 5 -0.242906815860E+04 0.21780E-03 -0.17007E-03 2310 0.377E-02 0.380E-02 DAV: 6 -0.242906816670E+04 -0.80989E-05 -0.23102E-04 1986 0.159E-02 0.260E-02 DAV: 7 -0.242906816042E+04 0.62767E-05 -0.40749E-05 1608 0.837E-03 320 F= -.24290682E+04 E0= -.24291516E+04 d E =-.217310E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242906761448E+04 0.55222E-03 -0.45497E-01 1704 0.816E-01 0.152E-01 DAV: 2 -0.242906847092E+04 -0.85644E-03 -0.97929E-03 1941 0.109E-01 0.826E-02 DAV: 3 -0.242906841166E+04 0.59252E-04 -0.20335E-04 2085 0.188E-02 0.536E-02 DAV: 4 -0.242906841929E+04 -0.76258E-05 -0.39416E-04 2184 0.205E-02 0.529E-02 DAV: 5 -0.242906838488E+04 0.34406E-04 -0.30902E-04 2211 0.163E-02 0.200E-02 DAV: 6 -0.242906838380E+04 0.10795E-05 -0.51270E-05 1464 0.701E-03 321 F= -.24290684E+04 E0= -.24291517E+04 d E =-.239648E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242906675011E+04 0.16348E-02 -0.23971E+00 1704 0.187E+00 0.340E-01 DAV: 2 -0.242907111096E+04 -0.43609E-02 -0.50692E-02 1950 0.247E-01 0.189E-01 DAV: 3 -0.242907077565E+04 0.33531E-03 -0.96496E-04 2067 0.408E-02 0.120E-01 DAV: 4 -0.242907072964E+04 0.46013E-04 -0.12777E-03 2058 0.461E-02 0.866E-02 DAV: 5 -0.242907065156E+04 0.78075E-04 -0.93841E-04 2184 0.298E-02 0.457E-02 DAV: 6 -0.242907063608E+04 0.15486E-04 -0.20027E-04 1977 0.128E-02 0.265E-02 DAV: 7 -0.242907063094E+04 0.51357E-05 -0.42285E-05 1455 0.785E-03 322 F= -.24290706E+04 E0= -.24291541E+04 d E =-.224713E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242906982045E+04 0.81562E-03 -0.67433E-01 1704 0.992E-01 0.182E-01 DAV: 2 -0.242907107243E+04 -0.12520E-02 -0.14426E-02 1950 0.132E-01 0.100E-01 DAV: 3 -0.242907097852E+04 0.93906E-04 -0.26103E-04 2076 0.218E-02 0.632E-02 DAV: 4 -0.242907095907E+04 0.19447E-04 -0.37213E-04 2040 0.246E-02 0.375E-02 DAV: 5 -0.242907094172E+04 0.17352E-04 -0.20658E-04 2058 0.141E-02 0.172E-02 DAV: 6 -0.242907093930E+04 0.24196E-05 -0.21228E-05 1194 0.584E-03 323 F= -.24290709E+04 E0= -.24291544E+04 d E =-.255550E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242906926579E+04 0.16759E-02 -0.22579E+00 1704 0.182E+00 0.336E-01 DAV: 2 -0.242907338825E+04 -0.41225E-02 -0.47974E-02 1950 0.241E-01 0.182E-01 DAV: 3 -0.242907305108E+04 0.33718E-03 -0.83247E-04 2067 0.386E-02 0.114E-01 DAV: 4 -0.242907293148E+04 0.11960E-03 -0.10643E-03 2031 0.446E-02 0.456E-02 DAV: 5 -0.242907292834E+04 0.31420E-05 -0.51229E-04 2058 0.229E-02 0.362E-02 DAV: 6 -0.242907291718E+04 0.11163E-04 -0.92520E-05 1752 0.966E-03 0.226E-02 DAV: 7 -0.242907291370E+04 0.34747E-05 -0.36359E-05 1320 0.754E-03 324 F= -.24290729E+04 E0= -.24291567E+04 d E =-.197440E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242907263486E+04 0.28231E-03 -0.23531E-01 1704 0.586E-01 0.110E-01 DAV: 2 -0.242907307536E+04 -0.44050E-03 -0.50738E-03 1950 0.782E-02 0.586E-02 DAV: 3 -0.242907304164E+04 0.33714E-04 -0.97185E-05 2058 0.127E-02 0.367E-02 DAV: 4 -0.242907303423E+04 0.74175E-05 -0.16195E-04 2040 0.143E-02 0.210E-02 DAV: 5 -0.242907302842E+04 0.58089E-05 -0.96278E-05 1500 0.819E-03 325 F= -.24290730E+04 E0= -.24291569E+04 d E =-.208911E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242907150685E+04 0.15274E-02 -0.22792E+00 1704 0.182E+00 0.329E-01 DAV: 2 -0.242907563459E+04 -0.41277E-02 -0.48387E-02 1950 0.241E-01 0.188E-01 DAV: 3 -0.242907532417E+04 0.31043E-03 -0.16313E-03 2094 0.457E-02 0.127E-01 DAV: 4 -0.242907523060E+04 0.93570E-04 -0.13512E-03 2085 0.390E-02 0.881E-02 DAV: 5 -0.242907515644E+04 0.74157E-04 -0.94004E-04 2076 0.339E-02 0.503E-02 DAV: 6 -0.242907513795E+04 0.18493E-04 -0.37031E-04 2112 0.164E-02 0.256E-02 DAV: 7 -0.242907513290E+04 0.50422E-05 -0.39822E-05 1464 0.806E-03 326 F= -.24290751E+04 E0= -.24291590E+04 d E =-.210449E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242907423604E+04 0.90191E-03 -0.74211E-01 1704 0.104E+00 0.189E-01 DAV: 2 -0.242907560833E+04 -0.13723E-02 -0.15953E-02 1950 0.138E-01 0.108E-01 DAV: 3 -0.242907550921E+04 0.99115E-04 -0.59159E-04 2094 0.265E-02 0.730E-02 DAV: 4 -0.242907547735E+04 0.31859E-04 -0.53054E-04 2094 0.227E-02 0.508E-02 DAV: 5 -0.242907544757E+04 0.29785E-04 -0.29278E-04 2040 0.186E-02 0.158E-02 DAV: 6 -0.242907544783E+04 -0.25866E-06 -0.52619E-05 1779 0.817E-03 327 F= -.24290754E+04 E0= -.24291593E+04 d E =-.241941E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242907457077E+04 0.87680E-03 -0.19005E+00 1704 0.166E+00 0.297E-01 DAV: 2 -0.242907801960E+04 -0.34488E-02 -0.40074E-02 1941 0.219E-01 0.170E-01 DAV: 3 -0.242907776871E+04 0.25089E-03 -0.10758E-03 2085 0.398E-02 0.113E-01 DAV: 4 -0.242907771970E+04 0.49013E-04 -0.11160E-03 2085 0.369E-02 0.828E-02 DAV: 5 -0.242907764630E+04 0.73400E-04 -0.76679E-04 2094 0.307E-02 0.446E-02 DAV: 6 -0.242907763263E+04 0.13667E-04 -0.26894E-04 2094 0.143E-02 0.238E-02 DAV: 7 -0.242907762756E+04 0.50708E-05 -0.28713E-05 1311 0.752E-03 328 F= -.24290776E+04 E0= -.24291615E+04 d E =-.217973E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242907470221E+04 0.29304E-02 -0.22819E+00 1704 0.182E+00 0.325E-01 DAV: 2 -0.242907886156E+04 -0.41593E-02 -0.48210E-02 1941 0.240E-01 0.187E-01 DAV: 3 -0.242907855788E+04 0.30368E-03 -0.13018E-03 2085 0.439E-02 0.125E-01 DAV: 4 -0.242907850084E+04 0.57043E-04 -0.14131E-03 2094 0.407E-02 0.936E-02 DAV: 5 -0.242907841097E+04 0.89871E-04 -0.10388E-03 2139 0.346E-02 0.540E-02 DAV: 6 -0.242907838761E+04 0.23362E-04 -0.36638E-04 2139 0.164E-02 0.257E-02 DAV: 7 -0.242907838214E+04 0.54630E-05 -0.37829E-05 1572 0.865E-03 329 F= -.24290784E+04 E0= -.24291621E+04 d E =-.293432E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242907683788E+04 0.15497E-02 -0.21859E+00 1704 0.178E+00 0.317E-01 DAV: 2 -0.242908084582E+04 -0.40079E-02 -0.46013E-02 1923 0.235E-01 0.178E-01 DAV: 3 -0.242908054470E+04 0.30111E-03 -0.82008E-04 2067 0.376E-02 0.113E-01 DAV: 4 -0.242908053419E+04 0.10512E-04 -0.17258E-03 2193 0.453E-02 0.107E-01 DAV: 5 -0.242908042446E+04 0.10973E-03 -0.13749E-03 2283 0.287E-02 0.397E-02 DAV: 6 -0.242908042172E+04 0.27334E-05 -0.12121E-04 1932 0.116E-02 0.237E-02 DAV: 7 -0.242908041757E+04 0.41557E-05 -0.38785E-05 1455 0.788E-03 330 F= -.24290804E+04 E0= -.24291642E+04 d E =-.203542E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242907713882E+04 0.32829E-02 -0.24643E+00 1704 0.189E+00 0.337E-01 DAV: 2 -0.242908165129E+04 -0.45125E-02 -0.51830E-02 1923 0.249E-01 0.189E-01 DAV: 3 -0.242908131099E+04 0.34030E-03 -0.94224E-04 2076 0.401E-02 0.120E-01 DAV: 4 -0.242908130429E+04 0.66996E-05 -0.19735E-03 2193 0.477E-02 0.113E-01 DAV: 5 -0.242908117318E+04 0.13111E-03 -0.15494E-03 2310 0.310E-02 0.429E-02 DAV: 6 -0.242908116926E+04 0.39180E-05 -0.16566E-04 1959 0.127E-02 0.259E-02 DAV: 7 -0.242908116389E+04 0.53744E-05 -0.44980E-05 1536 0.823E-03 331 F= -.24290812E+04 E0= -.24291651E+04 d E =-.278174E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242907863248E+04 0.25368E-02 -0.31210E+00 1704 0.213E+00 0.383E-01 DAV: 2 -0.242908434233E+04 -0.57098E-02 -0.65867E-02 1932 0.281E-01 0.215E-01 DAV: 3 -0.242908391667E+04 0.42566E-03 -0.15316E-03 2085 0.485E-02 0.140E-01 DAV: 4 -0.242908386867E+04 0.47996E-04 -0.19818E-03 2148 0.484E-02 0.116E-01 DAV: 5 -0.242908372299E+04 0.14568E-03 -0.17032E-03 2175 0.405E-02 0.564E-02 DAV: 6 -0.242908370331E+04 0.19674E-04 -0.41321E-04 2040 0.187E-02 0.305E-02 DAV: 7 -0.242908369527E+04 0.80464E-05 -0.55619E-05 1626 0.912E-03 332 F= -.24290837E+04 E0= -.24291677E+04 d E =-.253138E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242908182951E+04 0.18738E-02 -0.14284E+00 1704 0.144E+00 0.261E-01 DAV: 2 -0.242908447048E+04 -0.26410E-02 -0.30337E-02 1941 0.190E-01 0.145E-01 DAV: 3 -0.242908427715E+04 0.19333E-03 -0.66662E-04 2085 0.329E-02 0.943E-02 DAV: 4 -0.242908424882E+04 0.28331E-04 -0.88397E-04 2067 0.326E-02 0.696E-02 DAV: 5 -0.242908418443E+04 0.64384E-04 -0.62961E-04 2085 0.253E-02 0.258E-02 DAV: 6 -0.242908418346E+04 0.97828E-06 -0.10994E-04 1941 0.109E-02 0.207E-02 DAV: 7 -0.242908417920E+04 0.42564E-05 -0.22183E-05 1041 0.563E-03 333 F= -.24290842E+04 E0= -.24291683E+04 d E =-.301531E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242908099224E+04 0.31912E-02 -0.36588E+00 1704 0.230E+00 0.407E-01 DAV: 2 -0.242908763582E+04 -0.66436E-02 -0.76521E-02 1932 0.302E-01 0.233E-01 DAV: 3 -0.242908718538E+04 0.45045E-03 -0.18658E-03 2085 0.523E-02 0.157E-01 DAV: 4 -0.242908719594E+04 -0.10560E-04 -0.29247E-03 2292 0.532E-02 0.155E-01 DAV: 5 -0.242908693100E+04 0.26494E-03 -0.24363E-03 2220 0.470E-02 0.569E-02 DAV: 6 -0.242908692505E+04 0.59498E-05 -0.51656E-04 1986 0.211E-02 0.325E-02 DAV: 7 -0.242908691590E+04 0.91534E-05 -0.61876E-05 1806 0.984E-03 334 F= -.24290869E+04 E0= -.24291711E+04 d E =-.273670E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242908478971E+04 0.21353E-02 -0.17037E+00 1704 0.157E+00 0.281E-01 DAV: 2 -0.242908792652E+04 -0.31368E-02 -0.35970E-02 1932 0.207E-01 0.159E-01 DAV: 3 -0.242908773022E+04 0.19630E-03 -0.92329E-04 2085 0.364E-02 0.109E-01 DAV: 4 -0.242908773495E+04 -0.47260E-05 -0.14432E-03 2337 0.361E-02 0.108E-01 DAV: 5 -0.242908761375E+04 0.12119E-03 -0.11741E-03 2220 0.325E-02 0.404E-02 DAV: 6 -0.242908760858E+04 0.51716E-05 -0.25491E-04 1995 0.149E-02 0.223E-02 DAV: 7 -0.242908760427E+04 0.43079E-05 -0.29171E-05 1275 0.697E-03 335 F= -.24290876E+04 E0= -.24291718E+04 d E =-.342507E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242908433694E+04 0.32716E-02 -0.36525E+00 1704 0.230E+00 0.414E-01 DAV: 2 -0.242909105170E+04 -0.67148E-02 -0.77562E-02 1932 0.304E-01 0.233E-01 DAV: 3 -0.242909057199E+04 0.47971E-03 -0.21183E-03 2076 0.532E-02 0.158E-01 DAV: 4 -0.242909061888E+04 -0.46889E-04 -0.39592E-03 2391 0.539E-02 0.175E-01 DAV: 5 -0.242909032569E+04 0.29319E-03 -0.31207E-03 2310 0.467E-02 0.622E-02 DAV: 6 -0.242909031430E+04 0.11386E-04 -0.50124E-04 2013 0.212E-02 0.336E-02 DAV: 7 -0.242909030488E+04 0.94242E-05 -0.71853E-05 1860 0.108E-02 336 F= -.24290903E+04 E0= -.24291744E+04 d E =-.270060E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242908955580E+04 0.75850E-03 -0.57741E-01 1704 0.915E-01 0.168E-01 DAV: 2 -0.242909064270E+04 -0.10869E-02 -0.12443E-02 1932 0.122E-01 0.923E-02 DAV: 3 -0.242909056967E+04 0.73034E-04 -0.30709E-04 2076 0.211E-02 0.618E-02 DAV: 4 -0.242909058422E+04 -0.14550E-04 -0.67157E-04 2364 0.221E-02 0.709E-02 DAV: 5 -0.242909053209E+04 0.52126E-04 -0.46727E-04 2292 0.183E-02 0.210E-02 DAV: 6 -0.242909053318E+04 -0.10845E-05 -0.60570E-05 1662 0.788E-03 337 F= -.24290905E+04 E0= -.24291746E+04 d E =-.292890E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242908627964E+04 0.42524E-02 -0.40656E+00 1704 0.243E+00 0.432E-01 DAV: 2 -0.242909370250E+04 -0.74229E-02 -0.85589E-02 1923 0.318E-01 0.246E-01 DAV: 3 -0.242909321478E+04 0.48773E-03 -0.26068E-03 2103 0.580E-02 0.176E-01 DAV: 4 -0.242909319565E+04 0.19123E-04 -0.39536E-03 2409 0.549E-02 0.181E-01 DAV: 5 -0.242909289446E+04 0.30119E-03 -0.33231E-03 2247 0.505E-02 0.619E-02 DAV: 6 -0.242909288433E+04 0.10137E-04 -0.60121E-04 1995 0.232E-02 0.346E-02 DAV: 7 -0.242909287457E+04 0.97591E-05 -0.84482E-05 1887 0.109E-02 338 F= -.24290929E+04 E0= -.24291770E+04 d E =-.234139E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242909204233E+04 0.84199E-03 -0.60819E-01 1704 0.938E-01 0.171E-01 DAV: 2 -0.242909318556E+04 -0.11432E-02 -0.13028E-02 1923 0.124E-01 0.949E-02 DAV: 3 -0.242909311458E+04 0.70984E-04 -0.35618E-04 2103 0.221E-02 0.659E-02 DAV: 4 -0.242909311910E+04 -0.45195E-05 -0.63770E-04 2364 0.216E-02 0.689E-02 DAV: 5 -0.242909307366E+04 0.45432E-04 -0.45950E-04 2247 0.191E-02 0.240E-02 DAV: 6 -0.242909307156E+04 0.21040E-05 -0.84435E-05 1779 0.875E-03 339 F= -.24290931E+04 E0= -.24291773E+04 d E =-.253838E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242908838806E+04 0.46856E-02 -0.46169E+00 1704 0.258E+00 0.457E-01 DAV: 2 -0.242909673681E+04 -0.83488E-02 -0.96574E-02 1914 0.339E-01 0.258E-01 DAV: 3 -0.242909610441E+04 0.63240E-03 -0.15724E-03 2076 0.533E-02 0.162E-01 DAV: 4 -0.242909587438E+04 0.23003E-03 -0.19100E-03 2031 0.621E-02 0.601E-02 DAV: 5 -0.242909586781E+04 0.65638E-05 -0.72906E-04 2022 0.302E-02 0.461E-02 DAV: 6 -0.242909584993E+04 0.17880E-04 -0.12841E-04 2022 0.124E-02 0.310E-02 DAV: 7 -0.242909584348E+04 0.64561E-05 -0.72589E-05 1779 0.103E-02 340 F= -.24290958E+04 E0= -.24291802E+04 d E =-.277192E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242909452386E+04 0.13261E-02 -0.95514E-01 1704 0.118E+00 0.210E-01 DAV: 2 -0.242909628211E+04 -0.17582E-02 -0.20150E-02 1914 0.155E-01 0.117E-01 DAV: 3 -0.242909615613E+04 0.12598E-03 -0.34674E-04 2076 0.245E-02 0.738E-02 DAV: 4 -0.242909614580E+04 0.10335E-04 -0.72136E-04 2166 0.292E-02 0.595E-02 DAV: 5 -0.242909610644E+04 0.39353E-04 -0.47180E-04 2265 0.183E-02 0.232E-02 DAV: 6 -0.242909610502E+04 0.14232E-05 -0.41612E-05 1482 0.726E-03 341 F= -.24290961E+04 E0= -.24291806E+04 d E =-.303346E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242909234159E+04 0.37649E-02 -0.38481E+00 1704 0.236E+00 0.418E-01 DAV: 2 -0.242909931122E+04 -0.69696E-02 -0.80401E-02 1914 0.309E-01 0.236E-01 DAV: 3 -0.242909879043E+04 0.52079E-03 -0.14477E-03 2067 0.503E-02 0.151E-01 DAV: 4 -0.242909879922E+04 -0.87887E-05 -0.25752E-03 2193 0.592E-02 0.139E-01 DAV: 5 -0.242909858175E+04 0.21747E-03 -0.21846E-03 2256 0.414E-02 0.567E-02 DAV: 6 -0.242909856937E+04 0.12376E-04 -0.34367E-04 2022 0.176E-02 0.324E-02 DAV: 7 -0.242909856065E+04 0.87234E-05 -0.63851E-05 1770 0.104E-02 342 F= -.24290986E+04 E0= -.24291831E+04 d E =-.245563E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242909687593E+04 0.16934E-02 -0.12596E+00 1704 0.135E+00 0.242E-01 DAV: 2 -0.242909919231E+04 -0.23164E-02 -0.26542E-02 1914 0.178E-01 0.135E-01 DAV: 3 -0.242909902537E+04 0.16695E-03 -0.46250E-04 2076 0.288E-02 0.862E-02 DAV: 4 -0.242909902977E+04 -0.44043E-05 -0.83210E-04 2184 0.341E-02 0.783E-02 DAV: 5 -0.242909895911E+04 0.70659E-04 -0.66336E-04 2247 0.235E-02 0.311E-02 DAV: 6 -0.242909895584E+04 0.32744E-05 -0.10326E-04 1878 0.979E-03 0.185E-02 DAV: 7 -0.242909895263E+04 0.32041E-05 -0.19815E-05 1149 0.608E-03 343 F= -.24290990E+04 E0= -.24291835E+04 d E =-.284761E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242909602919E+04 0.29266E-02 -0.32737E+00 1704 0.218E+00 0.393E-01 DAV: 2 -0.242910206388E+04 -0.60347E-02 -0.69366E-02 1905 0.287E-01 0.222E-01 DAV: 3 -0.242910166026E+04 0.40362E-03 -0.19400E-03 2130 0.510E-02 0.157E-01 DAV: 4 -0.242910167361E+04 -0.13348E-04 -0.31290E-03 2400 0.502E-02 0.165E-01 DAV: 5 -0.242910140151E+04 0.27210E-03 -0.26247E-03 2256 0.453E-02 0.501E-02 DAV: 6 -0.242910140275E+04 -0.12401E-05 -0.46747E-04 1995 0.200E-02 0.301E-02 DAV: 7 -0.242910139490E+04 0.78453E-05 -0.63079E-05 1806 0.987E-03 344 F= -.24291014E+04 E0= -.24291859E+04 d E =-.244227E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242910015482E+04 0.12479E-02 -0.93057E-01 1704 0.116E+00 0.213E-01 DAV: 2 -0.242910190039E+04 -0.17456E-02 -0.19946E-02 1914 0.154E-01 0.118E-01 DAV: 3 -0.242910179136E+04 0.10902E-03 -0.58775E-04 2130 0.274E-02 0.833E-02 DAV: 4 -0.242910179508E+04 -0.37168E-05 -0.96396E-04 2373 0.265E-02 0.856E-02 DAV: 5 -0.242910172313E+04 0.71950E-04 -0.67789E-04 2256 0.237E-02 0.277E-02 DAV: 6 -0.242910172156E+04 0.15694E-05 -0.14277E-04 1959 0.108E-02 0.160E-02 DAV: 7 -0.242910171907E+04 0.24949E-05 -0.16497E-05 1122 0.543E-03 345 F= -.24291017E+04 E0= -.24291862E+04 d E =-.276643E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242909854229E+04 0.31793E-02 -0.34619E+00 1704 0.224E+00 0.398E-01 DAV: 2 -0.242910483849E+04 -0.62962E-02 -0.72389E-02 1914 0.294E-01 0.225E-01 DAV: 3 -0.242910437285E+04 0.46564E-03 -0.11887E-03 2076 0.456E-02 0.141E-01 DAV: 4 -0.242910425956E+04 0.11329E-03 -0.18419E-03 2040 0.543E-02 0.749E-02 DAV: 5 -0.242910419468E+04 0.64883E-04 -0.10799E-03 2049 0.301E-02 0.382E-02 DAV: 6 -0.242910418354E+04 0.11140E-04 -0.10014E-04 1932 0.121E-02 0.275E-02 DAV: 7 -0.242910417888E+04 0.46586E-05 -0.52923E-05 1554 0.866E-03 346 F= -.24291042E+04 E0= -.24291888E+04 d E =-.245981E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242910204440E+04 0.21391E-02 -0.16005E+00 1704 0.152E+00 0.273E-01 DAV: 2 -0.242910498548E+04 -0.29411E-02 -0.33656E-02 1914 0.200E-01 0.153E-01 DAV: 3 -0.242910477748E+04 0.20800E-03 -0.57193E-04 2076 0.315E-02 0.971E-02 DAV: 4 -0.242910479189E+04 -0.14410E-04 -0.12693E-03 2211 0.387E-02 0.964E-02 DAV: 5 -0.242910468828E+04 0.10360E-03 -0.93957E-04 2310 0.249E-02 0.295E-02 DAV: 6 -0.242910469105E+04 -0.27708E-05 -0.82867E-05 1887 0.965E-03 347 F= -.24291047E+04 E0= -.24291893E+04 d E =-.297199E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242910132125E+04 0.33670E-02 -0.37667E+00 1704 0.233E+00 0.421E-01 DAV: 2 -0.242910816588E+04 -0.68446E-02 -0.79163E-02 1923 0.306E-01 0.238E-01 DAV: 3 -0.242910768146E+04 0.48441E-03 -0.19863E-03 2076 0.523E-02 0.157E-01 DAV: 4 -0.242910771994E+04 -0.38474E-04 -0.33908E-03 2274 0.553E-02 0.156E-01 DAV: 5 -0.242910743755E+04 0.28239E-03 -0.22298E-03 2292 0.445E-02 0.505E-02 DAV: 6 -0.242910743871E+04 -0.11586E-05 -0.43274E-04 1986 0.192E-02 0.315E-02 DAV: 7 -0.242910742985E+04 0.88595E-05 -0.70738E-05 1851 0.987E-03 348 F= -.24291074E+04 E0= -.24291922E+04 d E =-.273879E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242910597724E+04 0.14615E-02 -0.11789E+00 1704 0.130E+00 0.237E-01 DAV: 2 -0.242910814911E+04 -0.21719E-02 -0.24944E-02 1932 0.172E-01 0.133E-01 DAV: 3 -0.242910799847E+04 0.15064E-03 -0.59494E-04 2076 0.292E-02 0.872E-02 DAV: 4 -0.242910801666E+04 -0.18193E-04 -0.11059E-03 2292 0.314E-02 0.888E-02 DAV: 5 -0.242910792434E+04 0.92323E-04 -0.73727E-04 2292 0.247E-02 0.283E-02 DAV: 6 -0.242910792460E+04 -0.26212E-06 -0.13148E-04 1959 0.107E-02 0.178E-02 DAV: 7 -0.242910792148E+04 0.31192E-05 -0.21115E-05 1131 0.571E-03 349 F= -.24291079E+04 E0= -.24291928E+04 d E =-.323043E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242910458718E+04 0.33374E-02 -0.36929E+00 1704 0.230E+00 0.422E-01 DAV: 2 -0.242911126348E+04 -0.66763E-02 -0.77692E-02 1914 0.303E-01 0.236E-01 DAV: 3 -0.242911074792E+04 0.51556E-03 -0.19152E-03 2076 0.527E-02 0.154E-01 DAV: 4 -0.242911076756E+04 -0.19642E-04 -0.36946E-03 2265 0.580E-02 0.151E-01 DAV: 5 -0.242911052371E+04 0.24385E-03 -0.29221E-03 2256 0.452E-02 0.597E-02 DAV: 6 -0.242911051216E+04 0.11544E-04 -0.45047E-04 1986 0.191E-02 0.332E-02 DAV: 7 -0.242911050315E+04 0.90133E-05 -0.72487E-05 1887 0.993E-03 350 F= -.24291105E+04 E0= -.24291952E+04 d E =-.258167E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242910953835E+04 0.97381E-03 -0.75858E-01 1704 0.105E+00 0.195E-01 DAV: 2 -0.242911094511E+04 -0.14068E-02 -0.16203E-02 1914 0.139E-01 0.107E-01 DAV: 3 -0.242911084282E+04 0.10228E-03 -0.36081E-04 2076 0.236E-02 0.682E-02 DAV: 4 -0.242911083854E+04 0.42790E-05 -0.69656E-04 2139 0.264E-02 0.543E-02 DAV: 5 -0.242911080289E+04 0.35651E-04 -0.48113E-04 2193 0.188E-02 0.238E-02 DAV: 6 -0.242911080004E+04 0.28517E-05 -0.61543E-05 1644 0.759E-03 351 F= -.24291108E+04 E0= -.24291955E+04 d E =-.287856E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242910671312E+04 0.40898E-02 -0.41690E+00 1704 0.245E+00 0.443E-01 DAV: 2 -0.242911426046E+04 -0.75473E-02 -0.87564E-02 1905 0.323E-01 0.251E-01 DAV: 3 -0.242911372906E+04 0.53140E-03 -0.20125E-03 2085 0.552E-02 0.165E-01 DAV: 4 -0.242911383662E+04 -0.10756E-03 -0.41848E-03 2364 0.611E-02 0.192E-01 DAV: 5 -0.242911345541E+04 0.38121E-03 -0.36590E-03 2328 0.486E-02 0.550E-02 DAV: 6 -0.242911347045E+04 -0.15033E-04 -0.37343E-04 1995 0.201E-02 0.355E-02 DAV: 7 -0.242911346055E+04 0.98993E-05 -0.72133E-05 1887 0.105E-02 352 F= -.24291135E+04 E0= -.24291980E+04 d E =-.266051E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242911239306E+04 0.10774E-02 -0.89859E-01 1704 0.114E+00 0.208E-01 DAV: 2 -0.242911405672E+04 -0.16637E-02 -0.19111E-02 1932 0.151E-01 0.116E-01 DAV: 3 -0.242911394346E+04 0.11326E-03 -0.38310E-04 2076 0.252E-02 0.744E-02 DAV: 4 -0.242911395404E+04 -0.10587E-04 -0.81104E-04 2238 0.288E-02 0.745E-02 DAV: 5 -0.242911389469E+04 0.59352E-04 -0.62946E-04 2301 0.204E-02 0.259E-02 DAV: 6 -0.242911389402E+04 0.66767E-06 -0.65540E-05 1689 0.841E-03 353 F= -.24291139E+04 E0= -.24291984E+04 d E =-.309398E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242910953865E+04 0.43560E-02 -0.45615E+00 1704 0.256E+00 0.469E-01 DAV: 2 -0.242911777553E+04 -0.82369E-02 -0.95756E-02 1923 0.337E-01 0.264E-01 DAV: 3 -0.242911717699E+04 0.59854E-03 -0.23651E-03 2085 0.587E-02 0.171E-01 DAV: 4 -0.242911714073E+04 0.36260E-04 -0.37495E-03 2085 0.601E-02 0.136E-01 DAV: 5 -0.242911690132E+04 0.23941E-03 -0.26215E-03 2076 0.465E-02 0.534E-02 DAV: 6 -0.242911689189E+04 0.94303E-05 -0.38632E-04 1959 0.198E-02 0.375E-02 DAV: 7 -0.242911687807E+04 0.13818E-04 -0.79327E-05 1797 0.104E-02 0.231E-02 DAV: 8 -0.242911687355E+04 0.45231E-05 -0.41169E-05 1644 0.822E-03 354 F= -.24291169E+04 E0= -.24292015E+04 d E =-.297952E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242911565972E+04 0.12183E-02 -0.89743E-01 1704 0.114E+00 0.208E-01 DAV: 2 -0.242911729001E+04 -0.16303E-02 -0.18863E-02 1932 0.149E-01 0.117E-01 DAV: 3 -0.242911717225E+04 0.11776E-03 -0.45294E-04 2085 0.260E-02 0.758E-02 DAV: 4 -0.242911716790E+04 0.43491E-05 -0.72908E-04 2139 0.270E-02 0.620E-02 DAV: 5 -0.242911711790E+04 0.49998E-04 -0.49832E-04 2130 0.209E-02 0.243E-02 DAV: 6 -0.242911711597E+04 0.19295E-05 -0.81362E-05 1833 0.900E-03 355 F= -.24291171E+04 E0= -.24292018E+04 d E =-.322195E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242911407347E+04 0.30444E-02 -0.32847E+00 1704 0.217E+00 0.385E-01 DAV: 2 -0.242911995491E+04 -0.58814E-02 -0.67900E-02 1896 0.282E-01 0.220E-01 DAV: 3 -0.242911953030E+04 0.42462E-03 -0.12894E-03 2067 0.460E-02 0.140E-01 DAV: 4 -0.242911948144E+04 0.48858E-04 -0.22809E-03 2049 0.500E-02 0.930E-02 DAV: 5 -0.242911935708E+04 0.12436E-03 -0.14074E-03 2058 0.328E-02 0.343E-02 DAV: 6 -0.242911935107E+04 0.60115E-05 -0.12171E-04 1959 0.128E-02 0.265E-02 DAV: 7 -0.242911934575E+04 0.53237E-05 -0.42969E-05 1509 0.815E-03 356 F= -.24291193E+04 E0= -.24292041E+04 d E =-.222977E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242911546544E+04 0.38856E-02 -0.30198E+00 1704 0.208E+00 0.369E-01 DAV: 2 -0.242912089334E+04 -0.54279E-02 -0.62422E-02 1905 0.270E-01 0.211E-01 DAV: 3 -0.242912050339E+04 0.38995E-03 -0.11747E-03 2076 0.443E-02 0.136E-01 DAV: 4 -0.242912051928E+04 -0.15883E-04 -0.24212E-03 2184 0.500E-02 0.124E-01 DAV: 5 -0.242912034401E+04 0.17527E-03 -0.18471E-03 2265 0.357E-02 0.481E-02 DAV: 6 -0.242912033593E+04 0.80834E-05 -0.25182E-04 1977 0.147E-02 0.281E-02 DAV: 7 -0.242912032931E+04 0.66142E-05 -0.51786E-05 1608 0.855E-03 357 F= -.24291203E+04 E0= -.24292051E+04 d E =-.321334E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242911904703E+04 0.12889E-02 -0.25757E+00 1704 0.192E+00 0.365E-01 DAV: 2 -0.242912378058E+04 -0.47336E-02 -0.55324E-02 1941 0.257E-01 0.201E-01 DAV: 3 -0.242912342157E+04 0.35901E-03 -0.16128E-03 2076 0.474E-02 0.134E-01 DAV: 4 -0.242912341253E+04 0.90456E-05 -0.24128E-03 2229 0.480E-02 0.121E-01 DAV: 5 -0.242912324438E+04 0.16815E-03 -0.16968E-03 2202 0.397E-02 0.540E-02 DAV: 6 -0.242912322671E+04 0.17673E-04 -0.39438E-04 2040 0.185E-02 0.284E-02 DAV: 7 -0.242912322007E+04 0.66441E-05 -0.55693E-05 1752 0.958E-03 358 F= -.24291232E+04 E0= -.24292079E+04 d E =-.289075E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242912253695E+04 0.68976E-03 -0.62281E-01 1704 0.946E-01 0.182E-01 DAV: 2 -0.242912369781E+04 -0.11609E-02 -0.13506E-02 1941 0.127E-01 0.987E-02 DAV: 3 -0.242912361354E+04 0.84274E-04 -0.41336E-04 2094 0.237E-02 0.658E-02 DAV: 4 -0.242912361064E+04 0.28960E-05 -0.61854E-04 2202 0.237E-02 0.581E-02 DAV: 5 -0.242912356905E+04 0.41594E-04 -0.39213E-04 2175 0.196E-02 0.247E-02 DAV: 6 -0.242912356616E+04 0.28931E-05 -0.89626E-05 1824 0.891E-03 359 F= -.24291236E+04 E0= -.24292082E+04 d E =-.323685E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242912172281E+04 0.18462E-02 -0.25852E+00 1704 0.192E+00 0.355E-01 DAV: 2 -0.242912642455E+04 -0.47017E-02 -0.54686E-02 1932 0.253E-01 0.201E-01 DAV: 3 -0.242912610259E+04 0.32196E-03 -0.20336E-03 2085 0.471E-02 0.135E-01 DAV: 4 -0.242912603915E+04 0.63440E-04 -0.24244E-03 2085 0.434E-02 0.100E-01 DAV: 5 -0.242912591144E+04 0.12771E-03 -0.12728E-03 2040 0.354E-02 0.313E-02 DAV: 6 -0.242912591354E+04 -0.20977E-05 -0.19228E-04 1941 0.150E-02 0.267E-02 DAV: 7 -0.242912590632E+04 0.72251E-05 -0.42277E-05 1428 0.804E-03 360 F= -.24291259E+04 E0= -.24292105E+04 d E =-.234016E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242912387747E+04 0.20361E-02 -0.15849E+00 1704 0.151E+00 0.279E-01 DAV: 2 -0.242912678366E+04 -0.29062E-02 -0.33645E-02 1932 0.199E-01 0.157E-01 DAV: 3 -0.242912658625E+04 0.19741E-03 -0.12227E-03 2085 0.366E-02 0.106E-01 DAV: 4 -0.242912655196E+04 0.34285E-04 -0.15400E-03 2094 0.343E-02 0.810E-02 DAV: 5 -0.242912647089E+04 0.81071E-04 -0.83036E-04 2049 0.272E-02 0.246E-02 DAV: 6 -0.242912647265E+04 -0.17564E-05 -0.11011E-04 1959 0.116E-02 0.209E-02 DAV: 7 -0.242912646780E+04 0.48452E-05 -0.25955E-05 1131 0.658E-03 361 F= -.24291265E+04 E0= -.24292111E+04 d E =-.290165E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242912490096E+04 0.15717E-02 -0.26440E+00 1704 0.195E+00 0.355E-01 DAV: 2 -0.242912967996E+04 -0.47790E-02 -0.55206E-02 1941 0.255E-01 0.199E-01 DAV: 3 -0.242912932912E+04 0.35085E-03 -0.10106E-03 2076 0.415E-02 0.127E-01 DAV: 4 -0.242912934079E+04 -0.11676E-04 -0.17756E-03 2166 0.486E-02 0.110E-01 DAV: 5 -0.242912918857E+04 0.15222E-03 -0.12105E-03 2256 0.327E-02 0.395E-02 DAV: 6 -0.242912918646E+04 0.21033E-05 -0.17848E-04 1968 0.131E-02 0.257E-02 DAV: 7 -0.242912918049E+04 0.59762E-05 -0.44401E-05 1554 0.841E-03 362 F= -.24291292E+04 E0= -.24292138E+04 d E =-.271268E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242912644770E+04 0.27388E-02 -0.21560E+00 1704 0.176E+00 0.322E-01 DAV: 2 -0.242913036333E+04 -0.39156E-02 -0.45159E-02 1932 0.231E-01 0.180E-01 DAV: 3 -0.242913007940E+04 0.28393E-03 -0.83111E-04 2085 0.376E-02 0.114E-01 DAV: 4 -0.242913010514E+04 -0.25739E-04 -0.15956E-03 2184 0.444E-02 0.107E-01 DAV: 5 -0.242912996146E+04 0.14368E-03 -0.10756E-03 2265 0.300E-02 0.346E-02 DAV: 6 -0.242912996266E+04 -0.11963E-05 -0.14381E-04 1968 0.120E-02 0.231E-02 DAV: 7 -0.242912995777E+04 0.48833E-05 -0.37466E-05 1446 0.768E-03 363 F= -.24291300E+04 E0= -.24292145E+04 d E =-.348997E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242912740216E+04 0.25605E-02 -0.32644E+00 1704 0.216E+00 0.394E-01 DAV: 2 -0.242913327245E+04 -0.58703E-02 -0.68263E-02 1923 0.284E-01 0.222E-01 DAV: 3 -0.242913282960E+04 0.44285E-03 -0.13666E-03 2076 0.474E-02 0.141E-01 DAV: 4 -0.242913279730E+04 0.32307E-04 -0.24810E-03 2157 0.519E-02 0.113E-01 DAV: 5 -0.242913264196E+04 0.15533E-03 -0.17830E-03 2229 0.359E-02 0.419E-02 DAV: 6 -0.242913264105E+04 0.91345E-06 -0.19898E-04 1995 0.144E-02 0.299E-02 DAV: 7 -0.242913263288E+04 0.81719E-05 -0.47266E-05 1536 0.855E-03 364 F= -.24291326E+04 E0= -.24292172E+04 d E =-.267510E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242913132326E+04 0.13178E-02 -0.10797E+00 1704 0.124E+00 0.229E-01 DAV: 2 -0.242913328984E+04 -0.19666E-02 -0.22771E-02 1923 0.164E-01 0.128E-01 DAV: 3 -0.242913314616E+04 0.14367E-03 -0.44226E-04 2076 0.276E-02 0.806E-02 DAV: 4 -0.242913313834E+04 0.78279E-05 -0.74302E-04 2067 0.294E-02 0.592E-02 DAV: 5 -0.242913308491E+04 0.53422E-04 -0.48100E-04 2076 0.204E-02 0.218E-02 DAV: 6 -0.242913308387E+04 0.10426E-05 -0.61153E-05 1725 0.831E-03 365 F= -.24291331E+04 E0= -.24292176E+04 d E =-.312610E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242913069764E+04 0.23873E-02 -0.33412E+00 1704 0.218E+00 0.402E-01 DAV: 2 -0.242913674631E+04 -0.60487E-02 -0.70282E-02 1941 0.287E-01 0.225E-01 DAV: 3 -0.242913630987E+04 0.43644E-03 -0.14494E-03 2085 0.497E-02 0.146E-01 DAV: 4 -0.242913635326E+04 -0.43392E-04 -0.26479E-03 2202 0.532E-02 0.149E-01 DAV: 5 -0.242913612510E+04 0.22817E-03 -0.24546E-03 2265 0.401E-02 0.539E-02 DAV: 6 -0.242913611899E+04 0.61093E-05 -0.32095E-04 1977 0.167E-02 0.303E-02 DAV: 7 -0.242913611172E+04 0.72703E-05 -0.72374E-05 1770 0.956E-03 366 F= -.24291361E+04 E0= -.24292209E+04 d E =-.302785E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242913448415E+04 0.16348E-02 -0.14943E+00 1704 0.146E+00 0.270E-01 DAV: 2 -0.242913722279E+04 -0.27386E-02 -0.31617E-02 1941 0.193E-01 0.151E-01 DAV: 3 -0.242913702654E+04 0.19626E-03 -0.63807E-04 2085 0.332E-02 0.971E-02 DAV: 4 -0.242913704310E+04 -0.16568E-04 -0.12261E-03 2202 0.358E-02 0.955E-02 DAV: 5 -0.242913694489E+04 0.98213E-04 -0.10105E-03 2283 0.263E-02 0.348E-02 DAV: 6 -0.242913694198E+04 0.29114E-05 -0.13337E-04 1923 0.109E-02 0.203E-02 DAV: 7 -0.242913693827E+04 0.37069E-05 -0.31198E-05 1239 0.652E-03 367 F= -.24291369E+04 E0= -.24292219E+04 d E =-.385440E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242913394966E+04 0.29923E-02 -0.39527E+00 1704 0.238E+00 0.444E-01 DAV: 2 -0.242914108711E+04 -0.71374E-02 -0.83587E-02 1950 0.314E-01 0.249E-01 DAV: 3 -0.242914053367E+04 0.55344E-03 -0.16677E-03 2067 0.549E-02 0.157E-01 DAV: 4 -0.242914042469E+04 0.10898E-03 -0.24915E-03 2040 0.571E-02 0.898E-02 DAV: 5 -0.242914032706E+04 0.97633E-04 -0.14534E-03 2067 0.344E-02 0.418E-02 DAV: 6 -0.242914031114E+04 0.15921E-04 -0.18166E-04 2013 0.143E-02 0.294E-02 DAV: 7 -0.242914030334E+04 0.77913E-05 -0.73598E-05 1860 0.115E-02 368 F= -.24291403E+04 E0= -.24292252E+04 d E =-.336507E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242913936569E+04 0.94545E-03 -0.73411E-01 1704 0.102E+00 0.193E-01 DAV: 2 -0.242914070599E+04 -0.13403E-02 -0.15605E-02 1959 0.136E-01 0.107E-01 DAV: 3 -0.242914060950E+04 0.96498E-04 -0.34360E-04 2067 0.240E-02 0.678E-02 DAV: 4 -0.242914060354E+04 0.59542E-05 -0.59470E-04 2175 0.253E-02 0.537E-02 DAV: 5 -0.242914057258E+04 0.30961E-04 -0.40853E-04 2229 0.178E-02 0.234E-02 DAV: 6 -0.242914056913E+04 0.34530E-05 -0.47085E-05 1500 0.761E-03 369 F= -.24291406E+04 E0= -.24292255E+04 d E =-.363086E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242913834021E+04 0.22324E-02 -0.28833E+00 1704 0.202E+00 0.367E-01 DAV: 2 -0.242914349949E+04 -0.51593E-02 -0.60103E-02 1932 0.265E-01 0.210E-01 DAV: 3 -0.242914314274E+04 0.35675E-03 -0.14700E-03 2067 0.462E-02 0.137E-01 DAV: 4 -0.242914312865E+04 0.14092E-04 -0.25183E-03 2094 0.464E-02 0.109E-01 DAV: 5 -0.242914297756E+04 0.15110E-03 -0.15937E-03 2130 0.352E-02 0.385E-02 DAV: 6 -0.242914297694E+04 0.61959E-06 -0.22331E-04 1977 0.147E-02 0.285E-02 DAV: 7 -0.242914296931E+04 0.76316E-05 -0.46818E-05 1446 0.807E-03 370 F= -.24291430E+04 E0= -.24292277E+04 d E =-.240018E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242914085515E+04 0.21218E-02 -0.18359E+00 1704 0.162E+00 0.294E-01 DAV: 2 -0.242914417460E+04 -0.33195E-02 -0.38491E-02 1932 0.212E-01 0.168E-01 DAV: 3 -0.242914394802E+04 0.22658E-03 -0.94226E-04 2067 0.369E-02 0.109E-01 DAV: 4 -0.242914393813E+04 0.98857E-05 -0.16286E-03 2058 0.368E-02 0.836E-02 DAV: 5 -0.242914383997E+04 0.98167E-04 -0.95910E-04 2058 0.275E-02 0.247E-02 DAV: 6 -0.242914384048E+04 -0.51362E-06 -0.98336E-05 1914 0.110E-02 371 F= -.24291438E+04 E0= -.24292285E+04 d E =-.327135E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242914374707E+04 0.92893E-04 -0.18082E+00 1704 0.161E+00 0.317E-01 DAV: 2 -0.242914712002E+04 -0.33729E-02 -0.39554E-02 1950 0.217E-01 0.169E-01 DAV: 3 -0.242914686844E+04 0.25158E-03 -0.12014E-03 2112 0.409E-02 0.114E-01 DAV: 4 -0.242914688059E+04 -0.12153E-04 -0.19585E-03 2328 0.394E-02 0.120E-01 DAV: 5 -0.242914673695E+04 0.14365E-03 -0.13729E-03 2265 0.330E-02 0.393E-02 DAV: 6 -0.242914673640E+04 0.54456E-06 -0.20803E-04 2004 0.149E-02 0.232E-02 DAV: 7 -0.242914673120E+04 0.52049E-05 -0.35709E-05 1446 0.792E-03 372 F= -.24291467E+04 E0= -.24292315E+04 d E =-.289072E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242914622718E+04 0.50922E-03 -0.56151E-01 1704 0.897E-01 0.177E-01 DAV: 2 -0.242914728094E+04 -0.10538E-02 -0.12295E-02 1968 0.121E-01 0.936E-02 DAV: 3 -0.242914719569E+04 0.85250E-04 -0.28544E-04 2067 0.218E-02 0.596E-02 DAV: 4 -0.242914719073E+04 0.49567E-05 -0.48866E-04 2139 0.222E-02 0.507E-02 DAV: 5 -0.242914715867E+04 0.32058E-04 -0.33044E-04 2202 0.163E-02 0.185E-02 DAV: 6 -0.242914715851E+04 0.16036E-06 -0.43241E-05 1446 0.691E-03 373 F= -.24291472E+04 E0= -.24292320E+04 d E =-.331803E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242914635151E+04 0.80717E-03 -0.18169E+00 1704 0.161E+00 0.305E-01 DAV: 2 -0.242914969313E+04 -0.33416E-02 -0.39043E-02 1950 0.215E-01 0.167E-01 DAV: 3 -0.242914944828E+04 0.24485E-03 -0.12001E-03 2094 0.389E-02 0.110E-01 DAV: 4 -0.242914942438E+04 0.23906E-04 -0.16727E-03 2103 0.370E-02 0.876E-02 DAV: 5 -0.242914932424E+04 0.10013E-03 -0.10990E-03 2094 0.284E-02 0.291E-02 DAV: 6 -0.242914932469E+04 -0.44738E-06 -0.14532E-04 1968 0.124E-02 0.228E-02 DAV: 7 -0.242914931961E+04 0.50846E-05 -0.35808E-05 1212 0.720E-03 374 F= -.24291493E+04 E0= -.24292341E+04 d E =-.216109E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242914855859E+04 0.76610E-03 -0.67854E-01 1704 0.986E-01 0.188E-01 DAV: 2 -0.242914981926E+04 -0.12607E-02 -0.14638E-02 1959 0.131E-01 0.102E-01 DAV: 3 -0.242914972776E+04 0.91504E-04 -0.42320E-04 2094 0.237E-02 0.662E-02 DAV: 4 -0.242914972210E+04 0.56610E-05 -0.66035E-04 2094 0.232E-02 0.520E-02 DAV: 5 -0.242914968180E+04 0.40294E-04 -0.39103E-04 2067 0.176E-02 0.149E-02 DAV: 6 -0.242914968258E+04 -0.78056E-06 -0.40975E-05 1626 0.747E-03 375 F= -.24291497E+04 E0= -.24292345E+04 d E =-.252407E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242914907386E+04 0.60795E-03 -0.18855E+00 1704 0.164E+00 0.307E-01 DAV: 2 -0.242915254757E+04 -0.34737E-02 -0.40242E-02 1941 0.217E-01 0.169E-01 DAV: 3 -0.242915230127E+04 0.24630E-03 -0.97360E-04 2094 0.370E-02 0.109E-01 DAV: 4 -0.242915230192E+04 -0.65897E-06 -0.17068E-03 2094 0.391E-02 0.876E-02 DAV: 5 -0.242915219259E+04 0.10934E-03 -0.11246E-03 2085 0.279E-02 0.273E-02 DAV: 6 -0.242915219312E+04 -0.53331E-06 -0.10663E-04 1923 0.113E-02 0.219E-02 DAV: 7 -0.242915218931E+04 0.38141E-05 -0.33362E-05 1194 0.686E-03 376 F= -.24291522E+04 E0= -.24292369E+04 d E =-.250672E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242915072928E+04 0.14638E-02 -0.12800E+00 1704 0.135E+00 0.253E-01 DAV: 2 -0.242915310243E+04 -0.23732E-02 -0.27383E-02 1950 0.179E-01 0.139E-01 DAV: 3 -0.242915293405E+04 0.16838E-03 -0.62763E-04 2085 0.303E-02 0.889E-02 DAV: 4 -0.242915293454E+04 -0.48708E-06 -0.11418E-03 2076 0.326E-02 0.693E-02 DAV: 5 -0.242915286184E+04 0.72703E-04 -0.72957E-04 2076 0.223E-02 0.212E-02 DAV: 6 -0.242915286145E+04 0.38138E-06 -0.59378E-05 1815 0.909E-03 377 F= -.24291529E+04 E0= -.24292374E+04 d E =-.317887E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242915145263E+04 0.14092E-02 -0.23977E+00 1704 0.185E+00 0.347E-01 DAV: 2 -0.242915591653E+04 -0.44639E-02 -0.51782E-02 1950 0.247E-01 0.192E-01 DAV: 3 -0.242915560214E+04 0.31439E-03 -0.12542E-03 2103 0.444E-02 0.128E-01 DAV: 4 -0.242915565675E+04 -0.54613E-04 -0.24014E-03 2337 0.447E-02 0.142E-01 DAV: 5 -0.242915544480E+04 0.21195E-03 -0.18469E-03 2319 0.365E-02 0.418E-02 DAV: 6 -0.242915545033E+04 -0.55313E-05 -0.26527E-04 1995 0.158E-02 0.270E-02 DAV: 7 -0.242915544378E+04 0.65532E-05 -0.57109E-05 1716 0.876E-03 378 F= -.24291554E+04 E0= -.24292402E+04 d E =-.258233E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242915479428E+04 0.65605E-03 -0.56642E-01 1704 0.900E-01 0.170E-01 DAV: 2 -0.242915586921E+04 -0.10749E-02 -0.12369E-02 1950 0.121E-01 0.936E-02 DAV: 3 -0.242915579897E+04 0.70243E-04 -0.34275E-04 2121 0.224E-02 0.649E-02 DAV: 4 -0.242915580689E+04 -0.79180E-05 -0.60315E-04 2355 0.213E-02 0.691E-02 DAV: 5 -0.242915575635E+04 0.50534E-04 -0.38907E-04 2238 0.184E-02 0.178E-02 DAV: 6 -0.242915575886E+04 -0.25085E-05 -0.62399E-05 1734 0.798E-03 379 F= -.24291558E+04 E0= -.24292406E+04 d E =-.289741E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242915397454E+04 0.17818E-02 -0.27179E+00 1704 0.198E+00 0.369E-01 DAV: 2 -0.242915905601E+04 -0.50815E-02 -0.58960E-02 1941 0.264E-01 0.206E-01 DAV: 3 -0.242915874157E+04 0.31444E-03 -0.22547E-03 2121 0.525E-02 0.152E-01 DAV: 4 -0.242915865283E+04 0.88737E-04 -0.25153E-03 2310 0.434E-02 0.131E-01 DAV: 5 -0.242915851884E+04 0.13399E-03 -0.18127E-03 2193 0.406E-02 0.557E-02 DAV: 6 -0.242915849490E+04 0.23937E-04 -0.51539E-04 2013 0.201E-02 0.273E-02 DAV: 7 -0.242915848934E+04 0.55568E-05 -0.63124E-05 1788 0.911E-03 380 F= -.24291585E+04 E0= -.24292435E+04 d E =-.273048E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242915749600E+04 0.99890E-03 -0.88022E-01 1704 0.112E+00 0.212E-01 DAV: 2 -0.242915917429E+04 -0.16783E-02 -0.19308E-02 1941 0.151E-01 0.117E-01 DAV: 3 -0.242915907317E+04 0.10113E-03 -0.71764E-04 2121 0.296E-02 0.852E-02 DAV: 4 -0.242915904951E+04 0.23653E-04 -0.86199E-04 2301 0.249E-02 0.741E-02 DAV: 5 -0.242915900587E+04 0.43647E-04 -0.55990E-04 2202 0.230E-02 0.320E-02 DAV: 6 -0.242915899791E+04 0.79597E-05 -0.16187E-04 1968 0.113E-02 0.155E-02 DAV: 7 -0.242915899577E+04 0.21389E-05 -0.18498E-05 1140 0.528E-03 381 F= -.24291590E+04 E0= -.24292441E+04 d E =-.323691E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242915755921E+04 0.14387E-02 -0.26409E+00 1704 0.195E+00 0.359E-01 DAV: 2 -0.242916246410E+04 -0.49049E-02 -0.56574E-02 1914 0.258E-01 0.198E-01 DAV: 3 -0.242916212553E+04 0.33857E-03 -0.11099E-03 2085 0.436E-02 0.131E-01 DAV: 4 -0.242916220150E+04 -0.75965E-04 -0.21398E-03 2283 0.480E-02 0.146E-01 DAV: 5 -0.242916196340E+04 0.23810E-03 -0.19741E-03 2301 0.375E-02 0.423E-02 DAV: 6 -0.242916196976E+04 -0.63599E-05 -0.25984E-04 2004 0.154E-02 0.265E-02 DAV: 7 -0.242916196404E+04 0.57164E-05 -0.52713E-05 1662 0.873E-03 382 F= -.24291620E+04 E0= -.24292469E+04 d E =-.296827E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242916017593E+04 0.17938E-02 -0.14282E+00 1704 0.143E+00 0.266E-01 DAV: 2 -0.242916285190E+04 -0.26760E-02 -0.30766E-02 1914 0.190E-01 0.145E-01 DAV: 3 -0.242916267412E+04 0.17778E-03 -0.61767E-04 2085 0.321E-02 0.952E-02 DAV: 4 -0.242916270806E+04 -0.33938E-04 -0.11620E-03 2238 0.350E-02 0.101E-01 DAV: 5 -0.242916259299E+04 0.11507E-03 -0.96892E-04 2292 0.268E-02 0.328E-02 DAV: 6 -0.242916259260E+04 0.39485E-06 -0.15205E-04 1959 0.114E-02 0.197E-02 DAV: 7 -0.242916258921E+04 0.33910E-05 -0.30444E-05 1266 0.653E-03 383 F= -.24291626E+04 E0= -.24292472E+04 d E =-.359344E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242915974164E+04 0.28510E-02 -0.31971E+00 1704 0.214E+00 0.394E-01 DAV: 2 -0.242916565697E+04 -0.59153E-02 -0.68560E-02 1923 0.283E-01 0.218E-01 DAV: 3 -0.242916523686E+04 0.42011E-03 -0.14053E-03 2085 0.489E-02 0.140E-01 DAV: 4 -0.242916524318E+04 -0.63228E-05 -0.25189E-03 2220 0.539E-02 0.127E-01 DAV: 5 -0.242916507656E+04 0.16662E-03 -0.20523E-03 2256 0.393E-02 0.544E-02 DAV: 6 -0.242916506331E+04 0.13255E-04 -0.28485E-04 2004 0.168E-02 0.310E-02 DAV: 7 -0.242916505549E+04 0.78127E-05 -0.58826E-05 1797 0.984E-03 384 F= -.24291651E+04 E0= -.24292497E+04 d E =-.246629E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242916406077E+04 0.10025E-02 -0.75797E-01 1704 0.104E+00 0.195E-01 DAV: 2 -0.242916549000E+04 -0.14292E-02 -0.16440E-02 1941 0.139E-01 0.106E-01 DAV: 3 -0.242916539421E+04 0.95782E-04 -0.31167E-04 2085 0.237E-02 0.675E-02 DAV: 4 -0.242916539352E+04 0.69104E-06 -0.55093E-04 2175 0.265E-02 0.557E-02 DAV: 5 -0.242916535937E+04 0.34156E-04 -0.40243E-04 2220 0.183E-02 0.240E-02 DAV: 6 -0.242916535691E+04 0.24533E-05 -0.53173E-05 1491 0.746E-03 385 F= -.24291654E+04 E0= -.24292501E+04 d E =-.276771E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242916285280E+04 0.25066E-02 -0.33028E+00 1704 0.217E+00 0.399E-01 DAV: 2 -0.242916895793E+04 -0.61051E-02 -0.70886E-02 1932 0.288E-01 0.225E-01 DAV: 3 -0.242916854433E+04 0.41360E-03 -0.19367E-03 2076 0.520E-02 0.148E-01 DAV: 4 -0.242916846601E+04 0.78320E-04 -0.16841E-03 2094 0.487E-02 0.112E-01 DAV: 5 -0.242916835244E+04 0.11357E-03 -0.14551E-03 2121 0.407E-02 0.591E-02 DAV: 6 -0.242916832738E+04 0.25055E-04 -0.41022E-04 2058 0.190E-02 0.317E-02 DAV: 7 -0.242916831871E+04 0.86710E-05 -0.49526E-05 1671 0.939E-03 386 F= -.24291683E+04 E0= -.24292535E+04 d E =-.296180E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242916559972E+04 0.27277E-02 -0.20472E+00 1704 0.171E+00 0.315E-01 DAV: 2 -0.242916942795E+04 -0.38282E-02 -0.44188E-02 1941 0.227E-01 0.177E-01 DAV: 3 -0.242916917501E+04 0.25294E-03 -0.11397E-03 2067 0.409E-02 0.117E-01 DAV: 4 -0.242916913051E+04 0.44497E-04 -0.10284E-03 2076 0.386E-02 0.883E-02 DAV: 5 -0.242916905563E+04 0.74886E-04 -0.90841E-04 2058 0.320E-02 0.448E-02 DAV: 6 -0.242916904151E+04 0.14115E-04 -0.24433E-04 1959 0.149E-02 0.250E-02 DAV: 7 -0.242916903574E+04 0.57740E-05 -0.30535E-05 1374 0.745E-03 387 F= -.24291690E+04 E0= -.24292545E+04 d E =-.367882E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242916465101E+04 0.43905E-02 -0.43291E+00 1704 0.249E+00 0.460E-01 DAV: 2 -0.242917269914E+04 -0.80481E-02 -0.92487E-02 1923 0.329E-01 0.251E-01 DAV: 3 -0.242917215518E+04 0.54397E-03 -0.16833E-03 2076 0.542E-02 0.163E-01 DAV: 4 -0.242917228108E+04 -0.12591E-03 -0.32184E-03 2256 0.614E-02 0.174E-01 DAV: 5 -0.242917189223E+04 0.38885E-03 -0.21494E-03 2310 0.466E-02 0.439E-02 DAV: 6 -0.242917191230E+04 -0.20063E-04 -0.31809E-04 1986 0.182E-02 0.320E-02 DAV: 7 -0.242917190341E+04 0.88812E-05 -0.66073E-05 1860 0.100E-02 388 F= -.24291719E+04 E0= -.24292571E+04 d E =-.286768E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242917108052E+04 0.83178E-03 -0.60304E-01 1704 0.930E-01 0.175E-01 DAV: 2 -0.242917222381E+04 -0.11433E-02 -0.13061E-02 1941 0.123E-01 0.934E-02 DAV: 3 -0.242917215127E+04 0.72535E-04 -0.24040E-04 2076 0.205E-02 0.597E-02 DAV: 4 -0.242917216026E+04 -0.89882E-05 -0.40384E-04 2193 0.225E-02 0.567E-02 DAV: 5 -0.242917212108E+04 0.39177E-04 -0.29415E-04 2247 0.165E-02 0.210E-02 DAV: 6 -0.242917211996E+04 0.11233E-05 -0.51303E-05 1419 0.701E-03 389 F= -.24291721E+04 E0= -.24292572E+04 d E =-.308422E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242916748015E+04 0.46409E-02 -0.45682E+00 1704 0.255E+00 0.467E-01 DAV: 2 -0.242917592604E+04 -0.84459E-02 -0.97190E-02 1914 0.336E-01 0.259E-01 DAV: 3 -0.242917539817E+04 0.52787E-03 -0.22671E-03 2112 0.570E-02 0.177E-01 DAV: 4 -0.242917555590E+04 -0.15773E-03 -0.40561E-03 2400 0.609E-02 0.210E-01 DAV: 5 -0.242917507387E+04 0.48203E-03 -0.34453E-03 2265 0.519E-02 0.436E-02 DAV: 6 -0.242917511541E+04 -0.41537E-04 -0.36466E-04 1959 0.209E-02 0.346E-02 DAV: 7 -0.242917510623E+04 0.91759E-05 -0.73931E-05 1896 0.106E-02 390 F= -.24291751E+04 E0= -.24292600E+04 d E =-.298627E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242917406956E+04 0.10458E-02 -0.78620E-01 1704 0.106E+00 0.197E-01 DAV: 2 -0.242917555688E+04 -0.14873E-02 -0.16952E-02 1914 0.140E-01 0.107E-01 DAV: 3 -0.242917546961E+04 0.87266E-04 -0.35993E-04 2076 0.235E-02 0.716E-02 DAV: 4 -0.242917550053E+04 -0.30915E-04 -0.70953E-04 2400 0.259E-02 0.825E-02 DAV: 5 -0.242917542246E+04 0.78068E-04 -0.52352E-04 2274 0.211E-02 0.202E-02 DAV: 6 -0.242917542730E+04 -0.48409E-05 -0.71081E-05 1842 0.858E-03 391 F= -.24291754E+04 E0= -.24292602E+04 d E =-.330734E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242917132453E+04 0.40979E-02 -0.41521E+00 1704 0.243E+00 0.445E-01 DAV: 2 -0.242917907989E+04 -0.77554E-02 -0.89659E-02 1941 0.323E-01 0.264E-01 DAV: 3 -0.242917874918E+04 0.33071E-03 -0.56485E-03 2265 0.705E-02 0.222E-01 DAV: 4 -0.242917835163E+04 0.39755E-03 -0.32988E-03 2319 0.547E-02 0.147E-01 DAV: 5 -0.242917817808E+04 0.17355E-03 -0.16068E-03 2004 0.502E-02 0.331E-02 DAV: 6 -0.242917819346E+04 -0.15385E-04 -0.33742E-04 1968 0.215E-02 0.301E-02 DAV: 7 -0.242917818498E+04 0.84765E-05 -0.59064E-05 1815 0.101E-02 392 F= -.24291782E+04 E0= -.24292633E+04 d E =-.275768E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242917775585E+04 0.43761E-03 -0.31888E-01 1704 0.674E-01 0.126E-01 DAV: 2 -0.242917836950E+04 -0.61365E-03 -0.70118E-03 1941 0.901E-02 0.724E-02 DAV: 3 -0.242917834507E+04 0.24435E-04 -0.39698E-04 2265 0.194E-02 0.607E-02 DAV: 4 -0.242917831967E+04 0.25398E-04 -0.31074E-04 2103 0.152E-02 0.421E-02 DAV: 5 -0.242917830606E+04 0.13609E-04 -0.12614E-04 1977 0.144E-02 0.125E-02 DAV: 6 -0.242917830627E+04 -0.21215E-06 -0.35378E-05 1428 0.655E-03 393 F= -.24291783E+04 E0= -.24292635E+04 d E =-.287897E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242917359253E+04 0.47135E-02 -0.44477E+00 1704 0.251E+00 0.454E-01 DAV: 2 -0.242918187303E+04 -0.82805E-02 -0.94849E-02 1932 0.331E-01 0.256E-01 DAV: 3 -0.242918138427E+04 0.48876E-03 -0.26953E-03 2130 0.595E-02 0.184E-01 DAV: 4 -0.242918139047E+04 -0.62045E-05 -0.35555E-03 2427 0.574E-02 0.190E-01 DAV: 5 -0.242918101557E+04 0.37490E-03 -0.28870E-03 2175 0.523E-02 0.401E-02 DAV: 6 -0.242918104670E+04 -0.31130E-04 -0.36579E-04 1950 0.215E-02 0.336E-02 DAV: 7 -0.242918103790E+04 0.87983E-05 -0.62331E-05 1824 0.101E-02 394 F= -.24291810E+04 E0= -.24292662E+04 d E =-.273163E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242918029560E+04 0.75110E-03 -0.57624E-01 1704 0.905E-01 0.167E-01 DAV: 2 -0.242918139838E+04 -0.11028E-02 -0.12500E-02 1932 0.120E-01 0.914E-02 DAV: 3 -0.242918134028E+04 0.58103E-04 -0.31606E-04 2130 0.214E-02 0.649E-02 DAV: 4 -0.242918134577E+04 -0.54933E-05 -0.48292E-04 2301 0.211E-02 0.664E-02 DAV: 5 -0.242918129969E+04 0.46075E-04 -0.34455E-04 2166 0.187E-02 0.170E-02 DAV: 6 -0.242918130190E+04 -0.22086E-05 -0.56631E-05 1662 0.800E-03 395 F= -.24291813E+04 E0= -.24292664E+04 d E =-.299563E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242917664470E+04 0.46550E-02 -0.43172E+00 1704 0.248E+00 0.459E-01 DAV: 2 -0.242918474918E+04 -0.81045E-02 -0.93232E-02 1941 0.328E-01 0.248E-01 DAV: 3 -0.242918419826E+04 0.55092E-03 -0.16494E-03 2067 0.529E-02 0.157E-01 DAV: 4 -0.242918409988E+04 0.98383E-04 -0.26726E-03 2049 0.595E-02 0.932E-02 DAV: 5 -0.242918398090E+04 0.11897E-03 -0.14126E-03 2076 0.348E-02 0.427E-02 DAV: 6 -0.242918397043E+04 0.10475E-04 -0.16144E-04 1986 0.141E-02 0.310E-02 DAV: 7 -0.242918396466E+04 0.57680E-05 -0.71217E-05 1761 0.955E-03 396 F= -.24291840E+04 E0= -.24292688E+04 d E =-.266276E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242918387151E+04 0.98917E-04 -0.66896E-02 1716 0.309E-01 0.612E-02 DAV: 2 -0.242918400725E+04 -0.13574E-03 -0.15296E-03 1950 0.419E-02 0.316E-02 DAV: 3 -0.242918400177E+04 0.54868E-05 -0.48308E-05 1581 0.830E-03 397 F= -.24291840E+04 E0= -.24292689E+04 d E =-.269986E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242918015619E+04 0.38511E-02 -0.38109E+00 1704 0.233E+00 0.429E-01 DAV: 2 -0.242918720938E+04 -0.70532E-02 -0.81571E-02 1950 0.307E-01 0.245E-01 DAV: 3 -0.242918674876E+04 0.46062E-03 -0.27288E-03 2112 0.589E-02 0.171E-01 DAV: 4 -0.242918665190E+04 0.96868E-04 -0.31439E-03 2238 0.530E-02 0.147E-01 DAV: 5 -0.242918649487E+04 0.15702E-03 -0.24929E-03 2193 0.475E-02 0.755E-02 DAV: 6 -0.242918644489E+04 0.49986E-04 -0.55656E-04 2031 0.231E-02 0.333E-02 DAV: 7 -0.242918643759E+04 0.72993E-05 -0.82385E-05 1887 0.111E-02 398 F= -.24291864E+04 E0= -.24292717E+04 d E =-.243582E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242918588958E+04 0.55530E-03 -0.39808E-01 1704 0.752E-01 0.141E-01 DAV: 2 -0.242918666940E+04 -0.77982E-03 -0.88373E-03 1950 0.101E-01 0.772E-02 DAV: 3 -0.242918662736E+04 0.42039E-04 -0.27592E-04 2076 0.187E-02 0.524E-02 DAV: 4 -0.242918661716E+04 0.10198E-04 -0.30413E-04 2085 0.163E-02 0.402E-02 DAV: 5 -0.242918659879E+04 0.18376E-04 -0.17235E-04 2013 0.142E-02 0.143E-02 DAV: 6 -0.242918659872E+04 0.69558E-07 -0.35931E-05 1302 0.642E-03 399 F= -.24291866E+04 E0= -.24292720E+04 d E =-.259695E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242918344442E+04 0.31544E-02 -0.33333E+00 1704 0.218E+00 0.396E-01 DAV: 2 -0.242918975151E+04 -0.63071E-02 -0.72537E-02 1941 0.289E-01 0.228E-01 DAV: 3 -0.242918940105E+04 0.35047E-03 -0.30729E-03 2157 0.578E-02 0.167E-01 DAV: 4 -0.242918928174E+04 0.11930E-03 -0.26911E-03 2274 0.485E-02 0.143E-01 DAV: 5 -0.242918916108E+04 0.12066E-03 -0.20023E-03 2139 0.459E-02 0.712E-02 DAV: 6 -0.242918910930E+04 0.51785E-04 -0.53711E-04 2049 0.238E-02 0.304E-02 DAV: 7 -0.242918910261E+04 0.66819E-05 -0.67908E-05 1878 0.105E-02 400 F= -.24291891E+04 E0= -.24292745E+04 d E =-.250390E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242918781383E+04 0.12955E-02 -0.91222E-01 1704 0.114E+00 0.210E-01 DAV: 2 -0.242918957478E+04 -0.17610E-02 -0.20068E-02 1941 0.152E-01 0.119E-01 DAV: 3 -0.242918948538E+04 0.89402E-04 -0.81729E-04 2175 0.300E-02 0.883E-02 DAV: 4 -0.242918945526E+04 0.30125E-04 -0.80008E-04 2292 0.253E-02 0.753E-02 DAV: 5 -0.242918942103E+04 0.34222E-04 -0.51691E-04 2130 0.238E-02 0.356E-02 DAV: 6 -0.242918940831E+04 0.12724E-04 -0.13694E-04 2013 0.122E-02 0.158E-02 DAV: 7 -0.242918940606E+04 0.22498E-05 -0.16890E-05 1113 0.552E-03 401 F= -.24291894E+04 E0= -.24292748E+04 d E =-.280734E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242918713772E+04 0.22706E-02 -0.26680E+00 1704 0.195E+00 0.353E-01 DAV: 2 -0.242919218674E+04 -0.50490E-02 -0.57476E-02 1923 0.257E-01 0.194E-01 DAV: 3 -0.242919185928E+04 0.32747E-03 -0.98448E-04 2076 0.409E-02 0.123E-01 DAV: 4 -0.242919182526E+04 0.34016E-04 -0.18371E-03 2067 0.475E-02 0.808E-02 DAV: 5 -0.242919173199E+04 0.93272E-04 -0.11987E-03 2076 0.298E-02 0.329E-02 DAV: 6 -0.242919172725E+04 0.47403E-05 -0.91723E-05 1941 0.113E-02 402 F= -.24291917E+04 E0= -.24292772E+04 d E =-.232119E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242918771052E+04 0.40215E-02 -0.27731E+00 1704 0.199E+00 0.366E-01 DAV: 2 -0.242919300143E+04 -0.52909E-02 -0.60263E-02 1923 0.264E-01 0.198E-01 DAV: 3 -0.242919269053E+04 0.31090E-03 -0.12796E-03 2076 0.443E-02 0.131E-01 DAV: 4 -0.242919276013E+04 -0.69608E-04 -0.24862E-03 2283 0.495E-02 0.138E-01 DAV: 5 -0.242919254487E+04 0.21526E-03 -0.19002E-03 2247 0.392E-02 0.460E-02 DAV: 6 -0.242919254669E+04 -0.18170E-05 -0.27283E-04 1986 0.162E-02 0.298E-02 DAV: 7 -0.242919253895E+04 0.77426E-05 -0.50798E-05 1761 0.878E-03 403 F= -.24291925E+04 E0= -.24292780E+04 d E =-.313289E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242918895219E+04 0.35945E-02 -0.38408E+00 1704 0.234E+00 0.426E-01 DAV: 2 -0.242919619464E+04 -0.72425E-02 -0.82734E-02 1905 0.309E-01 0.232E-01 DAV: 3 -0.242919571637E+04 0.47827E-03 -0.12954E-03 2076 0.479E-02 0.146E-01 DAV: 4 -0.242919566384E+04 0.52536E-04 -0.21945E-03 2058 0.572E-02 0.982E-02 DAV: 5 -0.242919553918E+04 0.12466E-03 -0.13355E-03 2067 0.339E-02 0.422E-02 DAV: 6 -0.242919553042E+04 0.87599E-05 -0.13662E-04 1941 0.131E-02 0.305E-02 DAV: 7 -0.242919552416E+04 0.62550E-05 -0.59411E-05 1599 0.872E-03 404 F= -.24291955E+04 E0= -.24292811E+04 d E =-.298521E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242919252967E+04 0.30007E-02 -0.21155E+00 1704 0.174E+00 0.317E-01 DAV: 2 -0.242919653773E+04 -0.40081E-02 -0.45683E-02 1905 0.230E-01 0.172E-01 DAV: 3 -0.242919627310E+04 0.26463E-03 -0.71044E-04 2076 0.358E-02 0.108E-01 DAV: 4 -0.242919624179E+04 0.31308E-04 -0.12859E-03 2076 0.429E-02 0.767E-02 DAV: 5 -0.242919617338E+04 0.68411E-04 -0.78745E-04 2202 0.249E-02 0.315E-02 DAV: 6 -0.242919617054E+04 0.28434E-05 -0.71499E-05 1833 0.959E-03 405 F= -.24291962E+04 E0= -.24292819E+04 d E =-.363159E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242919308486E+04 0.30885E-02 -0.34998E+00 1704 0.223E+00 0.406E-01 DAV: 2 -0.242919969029E+04 -0.66054E-02 -0.75632E-02 1896 0.296E-01 0.233E-01 DAV: 3 -0.242919938158E+04 0.30871E-03 -0.32752E-03 2175 0.573E-02 0.179E-01 DAV: 4 -0.242919924459E+04 0.13699E-03 -0.29173E-03 2319 0.487E-02 0.151E-01 DAV: 5 -0.242919906786E+04 0.17673E-03 -0.17562E-03 2094 0.454E-02 0.486E-02 DAV: 6 -0.242919906509E+04 0.27747E-05 -0.45756E-04 1995 0.209E-02 0.308E-02 DAV: 7 -0.242919905436E+04 0.10721E-04 -0.50756E-05 1689 0.940E-03 0.187E-02 DAV: 8 -0.242919905174E+04 0.26248E-05 -0.31291E-05 1437 0.725E-03 406 F= -.24291991E+04 E0= -.24292846E+04 d E =-.288120E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242918989139E+04 0.91630E-02 -0.60300E+00 1704 0.293E+00 0.527E-01 DAV: 2 -0.242920118725E+04 -0.11296E-01 -0.12935E-01 1896 0.386E-01 0.303E-01 DAV: 3 -0.242920057199E+04 0.61526E-03 -0.48157E-03 2166 0.720E-02 0.223E-01 DAV: 4 -0.242920045369E+04 0.11830E-03 -0.51167E-03 2391 0.644E-02 0.209E-01 DAV: 5 -0.242920010314E+04 0.35055E-03 -0.37338E-03 2175 0.601E-02 0.768E-02 DAV: 6 -0.242920007746E+04 0.25682E-04 -0.89969E-04 2004 0.285E-02 0.411E-02 DAV: 7 -0.242920006036E+04 0.17103E-04 -0.10157E-04 1905 0.129E-02 0.244E-02 DAV: 8 -0.242920005600E+04 0.43535E-05 -0.50917E-05 1842 0.902E-03 407 F= -.24292001E+04 E0= -.24292853E+04 d E =-.388546E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242919637606E+04 0.36843E-02 -0.35802E+00 1704 0.226E+00 0.407E-01 DAV: 2 -0.242920313452E+04 -0.67585E-02 -0.76810E-02 1905 0.297E-01 0.231E-01 DAV: 3 -0.242920280345E+04 0.33107E-03 -0.25057E-03 2148 0.536E-02 0.172E-01 DAV: 4 -0.242920276500E+04 0.38451E-04 -0.29449E-03 2391 0.493E-02 0.166E-01 DAV: 5 -0.242920249310E+04 0.27190E-03 -0.20100E-03 2139 0.455E-02 0.304E-02 DAV: 6 -0.242920251842E+04 -0.25315E-04 -0.25723E-04 1932 0.186E-02 0.256E-02 DAV: 7 -0.242920251340E+04 0.50135E-05 -0.42408E-05 1698 0.835E-03 408 F= -.24292025E+04 E0= -.24292876E+04 d E =-.245740E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242919630342E+04 0.62150E-02 -0.41788E+00 1704 0.244E+00 0.442E-01 DAV: 2 -0.242920421242E+04 -0.79090E-02 -0.89938E-02 1905 0.322E-01 0.250E-01 DAV: 3 -0.242920384252E+04 0.36990E-03 -0.31406E-03 2166 0.591E-02 0.190E-01 DAV: 4 -0.242920375453E+04 0.87992E-04 -0.33370E-03 2346 0.527E-02 0.175E-01 DAV: 5 -0.242920346705E+04 0.28747E-03 -0.23056E-03 2121 0.493E-02 0.356E-02 DAV: 6 -0.242920349263E+04 -0.25580E-04 -0.36388E-04 1968 0.205E-02 0.305E-02 DAV: 7 -0.242920348392E+04 0.87081E-05 -0.59492E-05 1698 0.920E-03 409 F= -.24292035E+04 E0= -.24292885E+04 d E =-.342792E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242920313752E+04 0.35511E-03 -0.15505E+00 1704 0.149E+00 0.291E-01 DAV: 2 -0.242920615376E+04 -0.30162E-02 -0.34790E-02 1950 0.202E-01 0.153E-01 DAV: 3 -0.242920594380E+04 0.20996E-03 -0.76475E-04 2085 0.343E-02 0.981E-02 DAV: 4 -0.242920597212E+04 -0.28322E-04 -0.15202E-03 2220 0.375E-02 0.989E-02 DAV: 5 -0.242920585311E+04 0.11900E-03 -0.89578E-04 2310 0.265E-02 0.302E-02 DAV: 6 -0.242920585578E+04 -0.26656E-05 -0.11101E-04 1950 0.113E-02 0.216E-02 DAV: 7 -0.242920585154E+04 0.42428E-05 -0.33959E-05 1230 0.720E-03 410 F= -.24292059E+04 E0= -.24292912E+04 d E =-.236761E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242920555180E+04 0.30398E-03 -0.32383E-01 1704 0.682E-01 0.135E-01 DAV: 2 -0.242920618653E+04 -0.63473E-03 -0.72982E-03 1950 0.927E-02 0.700E-02 DAV: 3 -0.242920614205E+04 0.44481E-04 -0.16619E-04 2085 0.161E-02 0.447E-02 DAV: 4 -0.242920614372E+04 -0.16658E-05 -0.30187E-04 2076 0.168E-02 0.375E-02 DAV: 5 -0.242920612241E+04 0.21310E-04 -0.17683E-04 2004 0.118E-02 0.113E-02 DAV: 6 -0.242920612244E+04 -0.34197E-07 -0.16315E-05 1158 0.504E-03 411 F= -.24292061E+04 E0= -.24292916E+04 d E =-.263852E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242920656785E+04 -0.44544E-03 -0.51850E-01 1704 0.863E-01 0.169E-01 DAV: 2 -0.242920755740E+04 -0.98955E-03 -0.11652E-02 1968 0.117E-01 0.915E-02 DAV: 3 -0.242920749026E+04 0.67135E-04 -0.49543E-04 2103 0.238E-02 0.641E-02 DAV: 4 -0.242920747364E+04 0.16630E-04 -0.44115E-04 2265 0.200E-02 0.554E-02 DAV: 5 -0.242920745152E+04 0.22112E-04 -0.29855E-04 2211 0.183E-02 0.292E-02 DAV: 6 -0.242920744256E+04 0.89592E-05 -0.11177E-04 1635 0.998E-03 0.119E-02 DAV: 7 -0.242920744169E+04 0.86930E-06 -0.14332E-05 1086 0.484E-03 412 F= -.24292074E+04 E0= -.24292930E+04 d E =-.131925E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242920698002E+04 0.46254E-03 -0.53846E-01 1704 0.880E-01 0.172E-01 DAV: 2 -0.242920800998E+04 -0.10300E-02 -0.12092E-02 1977 0.120E-01 0.922E-02 DAV: 3 -0.242920793455E+04 0.75427E-04 -0.46801E-04 2094 0.236E-02 0.618E-02 DAV: 4 -0.242920791729E+04 0.17258E-04 -0.44980E-04 2166 0.203E-02 0.491E-02 DAV: 5 -0.242920789617E+04 0.21121E-04 -0.27612E-04 2157 0.173E-02 0.267E-02 DAV: 6 -0.242920788999E+04 0.61834E-05 -0.79756E-05 1572 0.887E-03 413 F= -.24292079E+04 E0= -.24292935E+04 d E =-.176755E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242920808468E+04 -0.18851E-03 -0.69860E-01 1704 0.100E+00 0.200E-01 DAV: 2 -0.242920942755E+04 -0.13429E-02 -0.15682E-02 1977 0.136E-01 0.104E-01 DAV: 3 -0.242920933654E+04 0.91004E-04 -0.46333E-04 2085 0.259E-02 0.703E-02 DAV: 4 -0.242920933421E+04 0.23392E-05 -0.54415E-04 2256 0.237E-02 0.663E-02 DAV: 5 -0.242920929309E+04 0.41118E-04 -0.39229E-04 2265 0.206E-02 0.293E-02 DAV: 6 -0.242920928717E+04 0.59192E-05 -0.11028E-04 1815 0.105E-02 0.145E-02 DAV: 7 -0.242920928546E+04 0.17100E-05 -0.16356E-05 1068 0.530E-03 414 F= -.24292093E+04 E0= -.24292948E+04 d E =-.139547E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242920886214E+04 0.42503E-03 -0.44852E-01 1704 0.805E-01 0.160E-01 DAV: 2 -0.242920972896E+04 -0.86682E-03 -0.10056E-02 1986 0.109E-01 0.827E-02 DAV: 3 -0.242920966870E+04 0.60261E-04 -0.26872E-04 2085 0.204E-02 0.553E-02 DAV: 4 -0.242920967046E+04 -0.17597E-05 -0.35609E-04 2238 0.193E-02 0.538E-02 DAV: 5 -0.242920964123E+04 0.29228E-04 -0.25346E-04 2256 0.163E-02 0.227E-02 DAV: 6 -0.242920963795E+04 0.32811E-05 -0.64780E-05 1464 0.810E-03 415 F= -.24292096E+04 E0= -.24292951E+04 d E =-.174796E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242920958249E+04 0.58735E-04 -0.87293E-01 1704 0.113E+00 0.217E-01 DAV: 2 -0.242921130660E+04 -0.17241E-02 -0.19842E-02 1968 0.154E-01 0.121E-01 DAV: 3 -0.242921122689E+04 0.79708E-04 -0.92061E-04 2148 0.330E-02 0.976E-02 DAV: 4 -0.242921116614E+04 0.60749E-04 -0.86247E-04 2274 0.263E-02 0.727E-02 DAV: 5 -0.242921113198E+04 0.34165E-04 -0.47632E-04 2103 0.244E-02 0.311E-02 DAV: 6 -0.242921112381E+04 0.81664E-05 -0.15931E-04 2040 0.121E-02 0.165E-02 DAV: 7 -0.242921112118E+04 0.26300E-05 -0.18782E-05 1113 0.593E-03 416 F= -.24292111E+04 E0= -.24292967E+04 d E =-.148323E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242921073816E+04 0.38565E-03 -0.35994E-01 1704 0.723E-01 0.139E-01 DAV: 2 -0.242921145832E+04 -0.72015E-03 -0.82288E-03 1968 0.991E-02 0.774E-02 DAV: 3 -0.242921142398E+04 0.34333E-04 -0.37190E-04 2139 0.211E-02 0.616E-02 DAV: 4 -0.242921140101E+04 0.22970E-04 -0.34894E-04 2166 0.170E-02 0.466E-02 DAV: 5 -0.242921138606E+04 0.14952E-04 -0.19067E-04 2040 0.155E-02 0.191E-02 DAV: 6 -0.242921138311E+04 0.29477E-05 -0.61802E-05 1482 0.759E-03 417 F= -.24292114E+04 E0= -.24292971E+04 d E =-.174517E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242921158813E+04 -0.20206E-03 -0.71713E-01 1704 0.102E+00 0.193E-01 DAV: 2 -0.242921297363E+04 -0.13855E-02 -0.15915E-02 1950 0.137E-01 0.104E-01 DAV: 3 -0.242921288672E+04 0.86913E-04 -0.44275E-04 2103 0.247E-02 0.694E-02 DAV: 4 -0.242921288065E+04 0.60739E-05 -0.57936E-04 2094 0.232E-02 0.558E-02 DAV: 5 -0.242921284197E+04 0.38674E-04 -0.36094E-04 2076 0.192E-02 0.200E-02 DAV: 6 -0.242921284211E+04 -0.14305E-06 -0.64915E-05 1725 0.833E-03 418 F= -.24292128E+04 E0= -.24292986E+04 d E =-.145900E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242921103702E+04 0.18049E-02 -0.14778E+00 1704 0.146E+00 0.278E-01 DAV: 2 -0.242921389991E+04 -0.28629E-02 -0.32831E-02 1950 0.197E-01 0.149E-01 DAV: 3 -0.242921372213E+04 0.17777E-03 -0.90713E-04 2103 0.355E-02 0.994E-02 DAV: 4 -0.242921371128E+04 0.10858E-04 -0.12168E-03 2094 0.336E-02 0.811E-02 DAV: 5 -0.242921363027E+04 0.81006E-04 -0.77513E-04 2076 0.280E-02 0.304E-02 DAV: 6 -0.242921362944E+04 0.83359E-06 -0.14245E-04 1968 0.122E-02 0.231E-02 DAV: 7 -0.242921362372E+04 0.57151E-05 -0.24187E-05 1122 0.661E-03 419 F= -.24292136E+04 E0= -.24292993E+04 d E =-.224061E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242921380408E+04 -0.17464E-03 -0.79810E-01 1704 0.108E+00 0.202E-01 DAV: 2 -0.242921534158E+04 -0.15375E-02 -0.17550E-02 1941 0.144E-01 0.110E-01 DAV: 3 -0.242921526110E+04 0.80475E-04 -0.58175E-04 2139 0.275E-02 0.834E-02 DAV: 4 -0.242921524151E+04 0.19590E-04 -0.66867E-04 2337 0.241E-02 0.747E-02 DAV: 5 -0.242921518729E+04 0.54220E-04 -0.42382E-04 2139 0.218E-02 0.169E-02 DAV: 6 -0.242921519140E+04 -0.41039E-05 -0.78989E-05 1878 0.949E-03 420 F= -.24292152E+04 E0= -.24293008E+04 d E =-.156768E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242921317221E+04 0.20151E-02 -0.16795E+00 1704 0.156E+00 0.294E-01 DAV: 2 -0.242921639039E+04 -0.32182E-02 -0.36844E-02 1941 0.209E-01 0.159E-01 DAV: 3 -0.242921621589E+04 0.17450E-03 -0.11635E-03 2112 0.394E-02 0.118E-01 DAV: 4 -0.242921619031E+04 0.25581E-04 -0.13794E-03 2355 0.353E-02 0.111E-01 DAV: 5 -0.242921606542E+04 0.12489E-03 -0.95324E-04 2148 0.320E-02 0.244E-02 DAV: 6 -0.242921607548E+04 -0.10063E-04 -0.16094E-04 1986 0.137E-02 0.203E-02 DAV: 7 -0.242921607145E+04 0.40326E-05 -0.25443E-05 1167 0.653E-03 421 F= -.24292161E+04 E0= -.24293016E+04 d E =-.244773E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242921587570E+04 0.19978E-03 -0.10258E+00 1704 0.122E+00 0.232E-01 DAV: 2 -0.242921784450E+04 -0.19688E-02 -0.22671E-02 1950 0.165E-01 0.122E-01 DAV: 3 -0.242921771262E+04 0.13188E-03 -0.45842E-04 2076 0.276E-02 0.785E-02 DAV: 4 -0.242921770855E+04 0.40712E-05 -0.59318E-04 2148 0.289E-02 0.609E-02 DAV: 5 -0.242921765906E+04 0.49494E-04 -0.38011E-04 2157 0.207E-02 0.265E-02 DAV: 6 -0.242921765625E+04 0.28010E-05 -0.82915E-05 1725 0.911E-03 422 F= -.24292177E+04 E0= -.24293033E+04 d E =-.158481E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242921683588E+04 0.82317E-03 -0.70750E-01 1704 0.101E+00 0.196E-01 DAV: 2 -0.242921820333E+04 -0.13674E-02 -0.15751E-02 1950 0.137E-01 0.102E-01 DAV: 3 -0.242921811685E+04 0.86478E-04 -0.31648E-04 2076 0.232E-02 0.655E-02 DAV: 4 -0.242921812460E+04 -0.77471E-05 -0.44184E-04 2175 0.246E-02 0.594E-02 DAV: 5 -0.242921808196E+04 0.42634E-04 -0.33756E-04 2220 0.184E-02 0.255E-02 DAV: 6 -0.242921807872E+04 0.32448E-05 -0.70259E-05 1617 0.824E-03 423 F= -.24292181E+04 E0= -.24293037E+04 d E =-.200727E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242921749778E+04 0.58418E-03 -0.13374E+00 1704 0.139E+00 0.261E-01 DAV: 2 -0.242922005567E+04 -0.25579E-02 -0.29527E-02 1950 0.187E-01 0.141E-01 DAV: 3 -0.242921989591E+04 0.15976E-03 -0.66759E-04 2076 0.318E-02 0.925E-02 DAV: 4 -0.242921993877E+04 -0.42865E-04 -0.13363E-03 2364 0.348E-02 0.102E-01 DAV: 5 -0.242921982015E+04 0.11862E-03 -0.73030E-04 2328 0.254E-02 0.265E-02 DAV: 6 -0.242921982636E+04 -0.62073E-05 -0.90755E-05 1950 0.108E-02 424 F= -.24292198E+04 E0= -.24293055E+04 d E =-.174764E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242921856501E+04 0.12551E-02 -0.96962E-01 1704 0.119E+00 0.225E-01 DAV: 2 -0.242922043515E+04 -0.18701E-02 -0.21521E-02 1950 0.160E-01 0.120E-01 DAV: 3 -0.242922032408E+04 0.11107E-03 -0.49701E-04 2076 0.275E-02 0.800E-02 DAV: 4 -0.242922036342E+04 -0.39337E-04 -0.99380E-04 2364 0.297E-02 0.918E-02 DAV: 5 -0.242922026513E+04 0.98293E-04 -0.53159E-04 2319 0.230E-02 0.207E-02 DAV: 6 -0.242922027164E+04 -0.65111E-05 -0.64732E-05 1914 0.952E-03 425 F= -.24292203E+04 E0= -.24293059E+04 d E =-.219292E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242921966227E+04 0.60285E-03 -0.12539E+00 1704 0.135E+00 0.251E-01 DAV: 2 -0.242922208540E+04 -0.24231E-02 -0.27850E-02 1950 0.182E-01 0.138E-01 DAV: 3 -0.242922194467E+04 0.14073E-03 -0.91561E-04 2085 0.321E-02 0.920E-02 DAV: 4 -0.242922192852E+04 0.16151E-04 -0.10925E-03 2076 0.299E-02 0.711E-02 DAV: 5 -0.242922186790E+04 0.60621E-04 -0.64124E-04 2067 0.241E-02 0.212E-02 DAV: 6 -0.242922186830E+04 -0.39913E-06 -0.74077E-05 1869 0.102E-02 426 F= -.24292219E+04 E0= -.24293075E+04 d E =-.159666E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242922018941E+04 0.16785E-02 -0.12735E+00 1704 0.136E+00 0.255E-01 DAV: 2 -0.242922266452E+04 -0.24751E-02 -0.28471E-02 1950 0.184E-01 0.140E-01 DAV: 3 -0.242922252808E+04 0.13644E-03 -0.10993E-03 2085 0.336E-02 0.959E-02 DAV: 4 -0.242922250112E+04 0.26961E-04 -0.11204E-03 2166 0.297E-02 0.765E-02 DAV: 5 -0.242922244766E+04 0.53460E-04 -0.62116E-04 2157 0.258E-02 0.322E-02 DAV: 6 -0.242922244302E+04 0.46410E-05 -0.13663E-04 1986 0.120E-02 0.202E-02 DAV: 7 -0.242922243875E+04 0.42729E-05 -0.22952E-05 1131 0.629E-03 427 F= -.24292224E+04 E0= -.24293080E+04 d E =-.216711E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242922175766E+04 0.68536E-03 -0.13563E+00 1704 0.141E+00 0.266E-01 DAV: 2 -0.242922439634E+04 -0.26387E-02 -0.30263E-02 1950 0.190E-01 0.143E-01 DAV: 3 -0.242922423360E+04 0.16274E-03 -0.76812E-04 2076 0.337E-02 0.983E-02 DAV: 4 -0.242922425232E+04 -0.18720E-04 -0.11954E-03 2337 0.326E-02 0.101E-01 DAV: 5 -0.242922414238E+04 0.10994E-03 -0.74341E-04 2265 0.287E-02 0.304E-02 DAV: 6 -0.242922414384E+04 -0.14625E-05 -0.17218E-04 2004 0.130E-02 0.199E-02 DAV: 7 -0.242922414019E+04 0.36446E-05 -0.25992E-05 1212 0.666E-03 428 F= -.24292241E+04 E0= -.24293097E+04 d E =-.170145E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242922337793E+04 0.76591E-03 -0.61982E-01 1704 0.951E-01 0.181E-01 DAV: 2 -0.242922459320E+04 -0.12153E-02 -0.13916E-02 1950 0.129E-01 0.970E-02 DAV: 3 -0.242922452114E+04 0.72059E-04 -0.38554E-04 2076 0.233E-02 0.676E-02 DAV: 4 -0.242922452499E+04 -0.38474E-05 -0.54685E-04 2319 0.218E-02 0.675E-02 DAV: 5 -0.242922447979E+04 0.45201E-04 -0.35139E-04 2238 0.195E-02 0.225E-02 DAV: 6 -0.242922447844E+04 0.13473E-05 -0.87755E-05 1689 0.918E-03 429 F= -.24292245E+04 E0= -.24293101E+04 d E =-.203969E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242922317767E+04 0.13021E-02 -0.16973E+00 1704 0.157E+00 0.300E-01 DAV: 2 -0.242922646788E+04 -0.32902E-02 -0.38030E-02 1941 0.213E-01 0.168E-01 DAV: 3 -0.242922629702E+04 0.17086E-03 -0.19489E-03 2094 0.455E-02 0.124E-01 DAV: 4 -0.242922617402E+04 0.12300E-03 -0.12108E-03 2157 0.349E-02 0.890E-02 DAV: 5 -0.242922615119E+04 0.22834E-04 -0.92258E-04 2139 0.338E-02 0.634E-02 DAV: 6 -0.242922610834E+04 0.42848E-04 -0.41854E-04 2148 0.184E-02 0.227E-02 DAV: 7 -0.242922610660E+04 0.17335E-05 -0.43675E-05 1644 0.842E-03 430 F= -.24292261E+04 E0= -.24293117E+04 d E =-.162816E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242922549736E+04 0.61098E-03 -0.45696E-01 1704 0.816E-01 0.157E-01 DAV: 2 -0.242922640059E+04 -0.90323E-03 -0.10353E-02 1941 0.111E-01 0.870E-02 DAV: 3 -0.242922635446E+04 0.46127E-04 -0.52379E-04 2094 0.236E-02 0.638E-02 DAV: 4 -0.242922632359E+04 0.30872E-04 -0.35703E-04 2103 0.183E-02 0.458E-02 DAV: 5 -0.242922631640E+04 0.71972E-05 -0.24029E-04 2121 0.175E-02 0.313E-02 DAV: 6 -0.242922630595E+04 0.10444E-04 -0.99628E-05 1599 0.921E-03 0.116E-02 DAV: 7 -0.242922630517E+04 0.77928E-06 -0.11052E-05 1050 0.459E-03 431 F= -.24292263E+04 E0= -.24293119E+04 d E =-.182673E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242922478805E+04 0.15179E-02 -0.17212E+00 1704 0.158E+00 0.297E-01 DAV: 2 -0.242922815991E+04 -0.33719E-02 -0.38899E-02 1950 0.214E-01 0.168E-01 DAV: 3 -0.242922795759E+04 0.20231E-03 -0.19113E-03 2094 0.435E-02 0.119E-01 DAV: 4 -0.242922785856E+04 0.99027E-04 -0.15606E-03 2103 0.334E-02 0.818E-02 DAV: 5 -0.242922779264E+04 0.65923E-04 -0.68478E-04 2031 0.303E-02 0.209E-02 DAV: 6 -0.242922779446E+04 -0.18217E-05 -0.10848E-04 1950 0.130E-02 0.181E-02 DAV: 7 -0.242922779179E+04 0.26776E-05 -0.22643E-05 1131 0.637E-03 432 F= -.24292278E+04 E0= -.24293134E+04 d E =-.148661E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242922760144E+04 0.19302E-03 -0.15146E-01 1704 0.470E-01 0.906E-02 DAV: 2 -0.242922790580E+04 -0.30436E-03 -0.34787E-03 1950 0.641E-02 0.504E-02 DAV: 3 -0.242922789166E+04 0.14142E-04 -0.21068E-04 2031 0.142E-02 0.380E-02 DAV: 4 -0.242922788005E+04 0.11613E-04 -0.13903E-04 1482 0.109E-02 0.264E-02 DAV: 5 -0.242922787843E+04 0.16131E-05 -0.83612E-05 1896 0.107E-02 433 F= -.24292279E+04 E0= -.24293135E+04 d E =-.157326E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242922665897E+04 0.12211E-02 -0.15236E+00 1704 0.149E+00 0.284E-01 DAV: 2 -0.242922961420E+04 -0.29552E-02 -0.34028E-02 1941 0.202E-01 0.152E-01 DAV: 3 -0.242922942722E+04 0.18698E-03 -0.76342E-04 2094 0.351E-02 0.990E-02 DAV: 4 -0.242922943084E+04 -0.36186E-05 -0.11119E-03 2202 0.366E-02 0.862E-02 DAV: 5 -0.242922934586E+04 0.84980E-04 -0.77759E-04 2229 0.275E-02 0.343E-02 DAV: 6 -0.242922934392E+04 0.19324E-05 -0.14428E-04 1995 0.120E-02 0.224E-02 DAV: 7 -0.242922933912E+04 0.48053E-05 -0.30110E-05 1239 0.691E-03 434 F= -.24292293E+04 E0= -.24293150E+04 d E =-.146068E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242922920534E+04 0.13858E-03 -0.12583E-01 1704 0.429E-01 0.842E-02 DAV: 2 -0.242922945979E+04 -0.25445E-03 -0.28919E-03 1959 0.588E-02 0.437E-02 DAV: 3 -0.242922944537E+04 0.14423E-04 -0.65643E-05 1896 0.102E-02 0.284E-02 DAV: 4 -0.242922944653E+04 -0.11602E-05 -0.98976E-05 1734 0.104E-02 435 F= -.24292294E+04 E0= -.24293152E+04 d E =-.156809E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242922822944E+04 0.12159E-02 -0.16050E+00 1704 0.153E+00 0.294E-01 DAV: 2 -0.242923127683E+04 -0.30474E-02 -0.35422E-02 1950 0.206E-01 0.158E-01 DAV: 3 -0.242923107645E+04 0.20038E-03 -0.99915E-04 2094 0.381E-02 0.107E-01 DAV: 4 -0.242923107397E+04 0.24844E-05 -0.14339E-03 2283 0.367E-02 0.101E-01 DAV: 5 -0.242923097903E+04 0.94937E-04 -0.10942E-03 2247 0.308E-02 0.428E-02 DAV: 6 -0.242923097005E+04 0.89765E-05 -0.20447E-04 2022 0.143E-02 0.235E-02 DAV: 7 -0.242923096514E+04 0.49123E-05 -0.36910E-05 1518 0.793E-03 436 F= -.24292310E+04 E0= -.24293167E+04 d E =-.151861E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242923077068E+04 0.19937E-03 -0.15788E-01 1704 0.480E-01 0.945E-02 DAV: 2 -0.242923108524E+04 -0.31455E-03 -0.36002E-03 1959 0.657E-02 0.494E-02 DAV: 3 -0.242923106562E+04 0.19619E-04 -0.84700E-05 2031 0.118E-02 0.322E-02 DAV: 4 -0.242923106660E+04 -0.98467E-06 -0.14149E-04 1932 0.117E-02 0.266E-02 DAV: 5 -0.242923105650E+04 0.10103E-04 -0.80061E-05 1401 0.876E-03 0.725E-03 DAV: 6 -0.242923105669E+04 -0.18599E-06 -0.91365E-06 1041 0.383E-03 437 F= -.24292311E+04 E0= -.24293168E+04 d E =-.161016E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242922977729E+04 0.12792E-02 -0.14977E+00 1704 0.148E+00 0.278E-01 DAV: 2 -0.242923262416E+04 -0.28469E-02 -0.32975E-02 1941 0.199E-01 0.152E-01 DAV: 3 -0.242923245196E+04 0.17220E-03 -0.95806E-04 2112 0.366E-02 0.108E-01 DAV: 4 -0.242923246295E+04 -0.10988E-04 -0.14059E-03 2382 0.353E-02 0.113E-01 DAV: 5 -0.242923233546E+04 0.12749E-03 -0.99297E-04 2238 0.308E-02 0.281E-02 DAV: 6 -0.242923234359E+04 -0.81277E-05 -0.15128E-04 1995 0.137E-02 0.217E-02 DAV: 7 -0.242923233897E+04 0.46206E-05 -0.26693E-05 1239 0.677E-03 438 F= -.24292323E+04 E0= -.24293179E+04 d E =-.128228E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242923219951E+04 0.14408E-03 -0.11348E-01 1704 0.407E-01 0.789E-02 DAV: 2 -0.242923242347E+04 -0.22396E-03 -0.25683E-03 1959 0.555E-02 0.417E-02 DAV: 3 -0.242923241018E+04 0.13286E-04 -0.60337E-05 1797 0.100E-02 0.277E-02 DAV: 4 -0.242923241176E+04 -0.15810E-05 -0.10893E-04 1536 0.103E-02 0.275E-02 DAV: 5 -0.242923240372E+04 0.80400E-05 -0.70570E-05 1383 0.845E-03 439 F= -.24292324E+04 E0= -.24293179E+04 d E =-.134704E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242923169298E+04 0.71878E-03 -0.11040E+00 1704 0.127E+00 0.244E-01 DAV: 2 -0.242923379778E+04 -0.21048E-02 -0.24448E-02 1950 0.171E-01 0.130E-01 DAV: 3 -0.242923365440E+04 0.14338E-03 -0.53186E-04 2076 0.288E-02 0.838E-02 DAV: 4 -0.242923367276E+04 -0.18360E-04 -0.10063E-03 2211 0.325E-02 0.817E-02 DAV: 5 -0.242923359371E+04 0.79052E-04 -0.64301E-04 2310 0.226E-02 0.262E-02 DAV: 6 -0.242923359537E+04 -0.16632E-05 -0.72580E-05 1887 0.948E-03 440 F= -.24292336E+04 E0= -.24293191E+04 d E =-.119165E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242923341236E+04 0.18135E-03 -0.15169E-01 1704 0.471E-01 0.952E-02 DAV: 2 -0.242923371302E+04 -0.30066E-03 -0.34755E-03 1950 0.646E-02 0.486E-02 DAV: 3 -0.242923369699E+04 0.16031E-04 -0.87512E-05 2040 0.114E-02 0.330E-02 DAV: 4 -0.242923370351E+04 -0.65177E-05 -0.16930E-04 1887 0.120E-02 0.378E-02 DAV: 5 -0.242923368759E+04 0.15916E-04 -0.95038E-05 1536 0.996E-03 0.813E-03 DAV: 6 -0.242923368893E+04 -0.13381E-05 -0.13168E-05 1095 0.425E-03 441 F= -.24292337E+04 E0= -.24293192E+04 d E =-.128521E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242923318659E+04 0.50100E-03 -0.99711E-01 1704 0.120E+00 0.233E-01 DAV: 2 -0.242923506310E+04 -0.18765E-02 -0.22025E-02 1959 0.162E-01 0.127E-01 DAV: 3 -0.242923494063E+04 0.12247E-03 -0.70779E-04 2094 0.298E-02 0.874E-02 DAV: 4 -0.242923495710E+04 -0.16471E-04 -0.11323E-03 2319 0.288E-02 0.905E-02 DAV: 5 -0.242923487080E+04 0.86296E-04 -0.59293E-04 2247 0.244E-02 0.263E-02 DAV: 6 -0.242923487280E+04 -0.19990E-05 -0.12822E-04 1977 0.114E-02 0.180E-02 DAV: 7 -0.242923486940E+04 0.33958E-05 -0.23834E-05 1131 0.600E-03 442 F= -.24292349E+04 E0= -.24293204E+04 d E =-.118047E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242923455626E+04 0.31654E-03 -0.27466E-01 1704 0.632E-01 0.124E-01 DAV: 2 -0.242923508422E+04 -0.52797E-03 -0.61421E-03 1968 0.857E-02 0.664E-02 DAV: 3 -0.242923505037E+04 0.33857E-04 -0.18765E-04 2094 0.157E-02 0.451E-02 DAV: 4 -0.242923505495E+04 -0.45866E-05 -0.30883E-04 2256 0.154E-02 0.458E-02 DAV: 5 -0.242923503320E+04 0.21749E-04 -0.17680E-04 2067 0.127E-02 0.155E-02 DAV: 6 -0.242923503271E+04 0.49191E-06 -0.33828E-05 1320 0.601E-03 443 F= -.24292350E+04 E0= -.24293205E+04 d E =-.134378E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242923420328E+04 0.82993E-03 -0.11804E+00 1704 0.131E+00 0.256E-01 DAV: 2 -0.242923646009E+04 -0.22568E-02 -0.26353E-02 1941 0.178E-01 0.147E-01 DAV: 3 -0.242923637025E+04 0.89840E-04 -0.18958E-03 2220 0.419E-02 0.125E-01 DAV: 4 -0.242923624293E+04 0.12732E-03 -0.12417E-03 2238 0.317E-02 0.815E-02 DAV: 5 -0.242923621015E+04 0.32781E-04 -0.60735E-04 2031 0.288E-02 0.306E-02 DAV: 6 -0.242923620413E+04 0.60150E-05 -0.19930E-04 2040 0.133E-02 0.195E-02 DAV: 7 -0.242923619966E+04 0.44680E-05 -0.23131E-05 1203 0.662E-03 444 F= -.24292362E+04 E0= -.24293216E+04 d E =-.116695E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242923602554E+04 0.17859E-03 -0.14882E-01 1704 0.466E-01 0.920E-02 DAV: 2 -0.242923631983E+04 -0.29429E-03 -0.33809E-03 1950 0.637E-02 0.520E-02 DAV: 3 -0.242923630858E+04 0.11243E-04 -0.21647E-04 2103 0.148E-02 0.439E-02 DAV: 4 -0.242923629365E+04 0.14935E-04 -0.16031E-04 1644 0.115E-02 0.293E-02 DAV: 5 -0.242923629034E+04 0.33101E-05 -0.85543E-05 1887 0.107E-02 445 F= -.24292363E+04 E0= -.24293217E+04 d E =-.125762E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242923520407E+04 0.10896E-02 -0.12982E+00 1704 0.138E+00 0.271E-01 DAV: 2 -0.242923771073E+04 -0.25067E-02 -0.29348E-02 1959 0.187E-01 0.159E-01 DAV: 3 -0.242923761049E+04 0.10024E-03 -0.25924E-03 2256 0.442E-02 0.135E-01 DAV: 4 -0.242923745390E+04 0.15659E-03 -0.14157E-03 2292 0.319E-02 0.829E-02 DAV: 5 -0.242923744435E+04 0.95524E-05 -0.67321E-04 2049 0.301E-02 0.458E-02 DAV: 6 -0.242923741668E+04 0.27674E-04 -0.30537E-04 2058 0.159E-02 0.192E-02 DAV: 7 -0.242923741313E+04 0.35438E-05 -0.23206E-05 1320 0.677E-03 446 F= -.24292374E+04 E0= -.24293230E+04 d E =-.112279E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242923735552E+04 0.61154E-04 -0.56104E-02 1704 0.287E-01 0.578E-02 DAV: 2 -0.242923747154E+04 -0.11602E-03 -0.13183E-03 1959 0.396E-02 0.331E-02 DAV: 3 -0.242923746705E+04 0.44966E-05 -0.97393E-05 1626 0.937E-03 447 F= -.24292375E+04 E0= -.24293230E+04 d E =-.117671E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242923713370E+04 0.33784E-03 -0.89859E-01 1704 0.115E+00 0.236E-01 DAV: 2 -0.242923880905E+04 -0.16754E-02 -0.19993E-02 1959 0.156E-01 0.139E-01 DAV: 3 -0.242923871479E+04 0.94257E-04 -0.16035E-03 2121 0.391E-02 0.110E-01 DAV: 4 -0.242923859776E+04 0.11703E-03 -0.96459E-04 2193 0.297E-02 0.715E-02 DAV: 5 -0.242923860373E+04 -0.59670E-05 -0.72628E-04 2157 0.272E-02 0.571E-02 DAV: 6 -0.242923856278E+04 0.40954E-04 -0.33134E-04 2103 0.155E-02 0.167E-02 DAV: 7 -0.242923856334E+04 -0.56482E-06 -0.32080E-05 1563 0.714E-03 448 F= -.24292386E+04 E0= -.24293241E+04 d E =-.109630E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242923848368E+04 0.79095E-04 -0.80161E-02 1704 0.343E-01 0.708E-02 DAV: 2 -0.242923864500E+04 -0.16132E-03 -0.18765E-03 1968 0.475E-02 0.395E-02 DAV: 3 -0.242923863589E+04 0.91075E-05 -0.13473E-04 1770 0.112E-02 0.294E-02 DAV: 4 -0.242923862795E+04 0.79461E-05 -0.80744E-05 1410 0.833E-03 449 F= -.24292386E+04 E0= -.24293241E+04 d E =-.116090E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242923833279E+04 0.30310E-03 -0.79120E-01 1704 0.108E+00 0.211E-01 DAV: 2 -0.242923980606E+04 -0.14733E-02 -0.17457E-02 1950 0.145E-01 0.132E-01 DAV: 3 -0.242923975730E+04 0.48759E-04 -0.17543E-03 2301 0.376E-02 0.122E-01 DAV: 4 -0.242923961983E+04 0.13747E-03 -0.11222E-03 2310 0.266E-02 0.655E-02 DAV: 5 -0.242923961077E+04 0.90609E-05 -0.43996E-04 2022 0.241E-02 0.281E-02 DAV: 6 -0.242923960163E+04 0.91401E-05 -0.16512E-04 2004 0.120E-02 0.150E-02 DAV: 7 -0.242923959905E+04 0.25777E-05 -0.14868E-05 1095 0.551E-03 450 F= -.24292396E+04 E0= -.24293249E+04 d E =-.971108E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.242923943565E+04 0.16599E-03 -0.16890E-01 1704 0.497E-01 0.976E-02 DAV: 2 -0.242923975866E+04 -0.32301E-03 -0.37587E-03 1977 0.672E-02 0.558E-02 DAV: 3 -0.242923974357E+04 0.15086E-04 -0.22791E-04 2121 0.149E-02 0.467E-02 DAV: 4 -0.242923973018E+04 0.13394E-04 -0.21208E-04 1716 0.119E-02 0.336E-02 DAV: 5 -0.242923972348E+04 0.66978E-05 -0.94709E-05 1860 0.114E-02 451 F= -.24292397E+04 E0= -.24293249E+04 d E =-.109553E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242923921346E+04 0.51672E-03 -0.92966E-01 1704 0.117E+00 0.230E-01 DAV: 2 -0.242924093354E+04 -0.17201E-02 -0.20380E-02 1977 0.158E-01 0.125E-01 DAV: 3 -0.242924080859E+04 0.12495E-03 -0.57958E-04 2076 0.299E-02 0.830E-02 DAV: 4 -0.242924082436E+04 -0.15770E-04 -0.91702E-04 2193 0.300E-02 0.794E-02 DAV: 5 -0.242924075159E+04 0.72771E-04 -0.60264E-04 2229 0.247E-02 0.307E-02 DAV: 6 -0.242924074981E+04 0.17850E-05 -0.13106E-04 1968 0.111E-02 0.196E-02 DAV: 7 -0.242924074567E+04 0.41332E-05 -0.25231E-05 1113 0.609E-03 452 F= -.24292407E+04 E0= -.24293260E+04 d E =-.102219E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242924064908E+04 0.10073E-03 -0.89450E-02 1704 0.362E-01 0.729E-02 DAV: 2 -0.242924082214E+04 -0.17306E-03 -0.20123E-03 1977 0.495E-02 0.390E-02 DAV: 3 -0.242924080996E+04 0.12173E-04 -0.50542E-05 1716 0.946E-03 0.254E-02 DAV: 4 -0.242924081156E+04 -0.15913E-05 -0.87743E-05 1536 0.967E-03 453 F= -.24292408E+04 E0= -.24293261E+04 d E =-.108807E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242924016256E+04 0.64740E-03 -0.96061E-01 1704 0.119E+00 0.237E-01 DAV: 2 -0.242924196036E+04 -0.17978E-02 -0.21336E-02 1959 0.162E-01 0.135E-01 DAV: 3 -0.242924188669E+04 0.73668E-04 -0.16100E-03 2202 0.398E-02 0.113E-01 DAV: 4 -0.242924177433E+04 0.11237E-03 -0.10578E-03 2238 0.293E-02 0.738E-02 DAV: 5 -0.242924175954E+04 0.14789E-04 -0.61755E-04 2094 0.265E-02 0.401E-02 DAV: 6 -0.242924174087E+04 0.18664E-04 -0.24334E-04 2058 0.135E-02 0.175E-02 DAV: 7 -0.242924173823E+04 0.26431E-05 -0.20993E-05 1203 0.633E-03 454 F= -.24292417E+04 E0= -.24293271E+04 d E =-.926675E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.242924169915E+04 0.41727E-04 -0.35541E-02 1704 0.229E-01 0.472E-02 DAV: 2 -0.242924177218E+04 -0.73035E-04 -0.83701E-04 1986 0.319E-02 0.267E-02 DAV: 3 -0.242924176975E+04 0.24315E-05 -0.60814E-05 1437 0.804E-03 455 F= -.24292418E+04 E0= -.24293271E+04 d E =-.958194E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.242924138178E+04 0.39040E-03 -0.82236E-01 1704 0.110E+00 0.222E-01 DAV: 2 -0.242924287501E+04 -0.14932E-02 -0.17832E-02 1977 0.148E-01 0.124E-01 DAV: 3 -0.242924277342E+04 0.10160E-03 -0.86285E-04 2112 0.315E-02 0.922E-02 DAV: 4 -0.242924273735E+04 0.36068E-04 -0.88347E-04 2283 0.274E-02 0.747E-02 DAV: 5 -0.242924269962E+04 0.37732E-04 -0.59122E-04 2175 0.247E-02 0.394E-02 DAV: 6 -0.242924268445E+04 0.15171E-04 -0.18633E-04 2022 0.123E-02 0.160E-02 DAV: 7 -0.242924268283E+04 0.16212E-05 -0.21681E-05 1203 0.625E-03 456 F= -.24292427E+04 E0= -.24293279E+04 d E =-.913076E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.242924263944E+04 0.45011E-04 -0.44732E-02 1704 0.257E-01 0.525E-02 DAV: 2 -0.242924272818E+04 -0.88746E-04 -0.10210E-03 1986 0.351E-02 0.285E-02 DAV: 3 -0.242924272452E+04 0.36636E-05 -0.64459E-05 1464 0.821E-03 457 F= -.24292427E+04 E0= -.24293279E+04 d E =-.954769E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.242924221413E+04 0.51405E-03 -0.81348E-01 1704 0.110E+00 0.221E-01 DAV: 2 -0.242924369993E+04 -0.14858E-02 -0.17703E-02 1986 0.148E-01 0.121E-01 DAV: 3 -0.242924356778E+04 0.13215E-03 -0.39535E-04 2085 0.265E-02 0.764E-02 DAV: 4 -0.242924358747E+04 -0.19686E-04 -0.72892E-04 2139 0.299E-02 0.648E-02 DAV: 5 -0.242924352235E+04 0.65114E-04 -0.44366E-04 2112 0.206E-02 0.241E-02 DAV: 6 -0.242924352171E+04 0.63679E-06 -0.70158E-05 1752 0.837E-03 458 F= -.24292435E+04 E0= -.24293287E+04 d E =-.797196E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.242924351635E+04 0.59996E-05 -0.20014E-03 1734 0.546E-02 0.181E-02 DAV: 2 -0.242924352151E+04 -0.51537E-05 -0.71647E-05 1860 0.938E-03 459 F= -.24292435E+04 E0= -.24293287E+04 d E =-.796987E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.242924326965E+04 0.24670E-03 -0.61328E-01 1704 0.951E-01 0.192E-01 DAV: 2 -0.242924441344E+04 -0.11438E-02 -0.13650E-02 1977 0.130E-01 0.108E-01 DAV: 3 -0.242924433647E+04 0.76976E-04 -0.75749E-04 2130 0.286E-02 0.785E-02 DAV: 4 -0.242924430182E+04 0.34644E-04 -0.65919E-04 2220 0.237E-02 0.605E-02 DAV: 5 -0.242924428944E+04 0.12385E-04 -0.46328E-04 2148 0.208E-02 0.382E-02 DAV: 6 -0.242924427270E+04 0.16732E-04 -0.12620E-04 1833 0.107E-02 0.147E-02 DAV: 7 -0.242924427131E+04 0.13926E-05 -0.18410E-05 1149 0.583E-03 460 F= -.24292443E+04 E0= -.24293295E+04 d E =-.749806E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.242924425357E+04 0.19131E-04 -0.19076E-02 1716 0.168E-01 0.354E-02 DAV: 2 -0.242924429300E+04 -0.39429E-04 -0.45571E-04 1995 0.235E-02 0.194E-02 DAV: 3 -0.242924429072E+04 0.22833E-05 -0.25302E-05 1221 0.529E-03 461 F= -.24292443E+04 E0= -.24293295E+04 d E =-.769213E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.242924397559E+04 0.31741E-03 -0.64333E-01 1704 0.976E-01 0.200E-01 DAV: 2 -0.242924518015E+04 -0.12046E-02 -0.14480E-02 1995 0.133E-01 0.115E-01 DAV: 3 -0.242924509183E+04 0.88318E-04 -0.11082E-03 2103 0.324E-02 0.836E-02 DAV: 4 -0.242924502144E+04 0.70392E-04 -0.59877E-04 2094 0.226E-02 0.519E-02 DAV: 5 -0.242924500468E+04 0.16762E-04 -0.28576E-04 2022 0.200E-02 0.162E-02 DAV: 6 -0.242924500463E+04 0.46304E-07 -0.59356E-05 1752 0.875E-03 462 F= -.24292450E+04 E0= -.24293302E+04 d E =-.713914E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.242924499282E+04 0.11855E-04 -0.12550E-02 1716 0.136E-01 0.322E-02 DAV: 2 -0.242924502069E+04 -0.27867E-04 -0.33000E-04 2004 0.201E-02 0.173E-02 DAV: 3 -0.242924501959E+04 0.10972E-05 -0.35265E-05 1230 0.552E-03 463 F= -.24292450E+04 E0= -.24293302E+04 d E =-.728875E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.242924486304E+04 0.15765E-03 -0.52561E-01 1704 0.883E-01 0.182E-01 DAV: 2 -0.242924585117E+04 -0.98814E-03 -0.11965E-02 1995 0.121E-01 0.104E-01 DAV: 3 -0.242924577885E+04 0.72325E-04 -0.10345E-03 2103 0.299E-02 0.771E-02 DAV: 4 -0.242924571680E+04 0.62044E-04 -0.58481E-04 2094 0.212E-02 0.486E-02 DAV: 5 -0.242924571138E+04 0.54237E-05 -0.28519E-04 2094 0.195E-02 0.344E-02 DAV: 6 -0.242924569977E+04 0.11609E-04 -0.12270E-04 1860 0.100E-02 0.133E-02 DAV: 7 -0.242924569865E+04 0.11162E-05 -0.12236E-05 1050 0.484E-03 464 F= -.24292457E+04 E0= -.24293309E+04 d E =-.679060E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.242924568677E+04 0.13004E-04 -0.14200E-02 1716 0.145E-01 0.307E-02 DAV: 2 -0.242924571647E+04 -0.29703E-04 -0.34448E-04 1995 0.204E-02 0.174E-02 DAV: 3 -0.242924571445E+04 0.20167E-05 -0.29683E-05 1176 0.525E-03 465 F= -.24292457E+04 E0= -.24293309E+04 d E =-.694859E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.242924566645E+04 0.50024E-04 -0.45686E-01 1704 0.822E-01 0.167E-01 DAV: 2 -0.242924649748E+04 -0.83103E-03 -0.10020E-02 1986 0.111E-01 0.945E-02 DAV: 3 -0.242924644027E+04 0.57212E-04 -0.61285E-04 2103 0.252E-02 0.692E-02 DAV: 4 -0.242924641125E+04 0.29015E-04 -0.54417E-04 2148 0.208E-02 0.520E-02 DAV: 5 -0.242924639747E+04 0.13779E-04 -0.29102E-04 2094 0.183E-02 0.313E-02 DAV: 6 -0.242924638760E+04 0.98699E-05 -0.11280E-04 1725 0.941E-03 0.128E-02 DAV: 7 -0.242924638636E+04 0.12453E-05 -0.12230E-05 1059 0.468E-03 466 F= -.24292464E+04 E0= -.24293316E+04 d E =-.671904E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.242924634504E+04 0.42565E-04 -0.53909E-02 1704 0.282E-01 0.577E-02 DAV: 2 -0.242924645092E+04 -0.10588E-03 -0.12359E-03 1986 0.388E-02 0.322E-02 DAV: 3 -0.242924644457E+04 0.63489E-05 -0.79638E-05 1536 0.914E-03 467 F= -.24292464E+04 E0= -.24293317E+04 d E =-.730115E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.242924634537E+04 0.10555E-03 -0.50525E-01 1704 0.863E-01 0.175E-01 DAV: 2 -0.242924723233E+04 -0.88696E-03 -0.10731E-02 1977 0.115E-01 0.984E-02 DAV: 3 -0.242924714598E+04 0.86350E-04 -0.27664E-04 2085 0.219E-02 0.621E-02 DAV: 4 -0.242924715414E+04 -0.81546E-05 -0.54306E-04 2211 0.241E-02 0.564E-02 DAV: 5 -0.242924711707E+04 0.37070E-04 -0.39086E-04 2238 0.174E-02 0.219E-02 DAV: 6 -0.242924711632E+04 0.74417E-06 -0.55590E-05 1563 0.730E-03 468 F= -.24292471E+04 E0= -.24293322E+04 d E =-.671757E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.242924709898E+04 0.18084E-04 -0.21477E-02 1704 0.178E-01 0.393E-02 DAV: 2 -0.242924714289E+04 -0.43909E-04 -0.51176E-04 1977 0.252E-02 0.197E-02 DAV: 3 -0.242924714031E+04 0.25869E-05 -0.12537E-05 1158 0.498E-03 469 F= -.24292471E+04 E0= -.24293322E+04 d E =-.695739E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.242924700516E+04 0.13773E-03 -0.52898E-01 1704 0.883E-01 0.185E-01 DAV: 2 -0.242924797052E+04 -0.96536E-03 -0.11815E-02 1986 0.121E-01 0.108E-01 DAV: 3 -0.242924791757E+04 0.52952E-04 -0.13380E-03 2202 0.333E-02 0.926E-02 DAV: 4 -0.242924782625E+04 0.91319E-04 -0.68601E-04 2211 0.237E-02 0.542E-02 DAV: 5 -0.242924782974E+04 -0.34916E-05 -0.42975E-04 2085 0.213E-02 0.408E-02 DAV: 6 -0.242924780672E+04 0.23017E-04 -0.19358E-04 1977 0.117E-02 0.131E-02 DAV: 7 -0.242924780597E+04 0.75452E-06 -0.16746E-05 1185 0.559E-03 470 F= -.24292478E+04 E0= -.24293329E+04 d E =-.665663E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.242924779055E+04 0.16176E-04 -0.18897E-02 1716 0.167E-01 0.356E-02 DAV: 2 -0.242924782812E+04 -0.37574E-04 -0.43803E-04 1986 0.232E-02 0.193E-02 DAV: 3 -0.242924782596E+04 0.21662E-05 -0.31908E-05 1257 0.580E-03 471 F= -.24292478E+04 E0= -.24293329E+04 d E =-.685648E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.242924789080E+04 -0.62679E-04 -0.42237E-01 1704 0.787E-01 0.160E-01 DAV: 2 -0.242924865992E+04 -0.76912E-03 -0.93506E-03 1959 0.106E-01 0.100E-01 DAV: 3 -0.242924860979E+04 0.50132E-04 -0.10648E-03 2130 0.298E-02 0.817E-02 DAV: 4 -0.242924854125E+04 0.68537E-04 -0.50919E-04 2121 0.206E-02 0.479E-02 DAV: 5 -0.242924855020E+04 -0.89527E-05 -0.35343E-04 2094 0.185E-02 0.406E-02 DAV: 6 -0.242924852776E+04 0.22448E-04 -0.15983E-04 1716 0.106E-02 0.111E-02 DAV: 7 -0.242924852804E+04 -0.28282E-06 -0.14421E-05 1104 0.502E-03 472 F= -.24292485E+04 E0= -.24293336E+04 d E =-.702083E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.242924842557E+04 0.10219E-03 -0.13308E-01 1704 0.442E-01 0.893E-02 DAV: 2 -0.242924868422E+04 -0.25865E-03 -0.30679E-03 1977 0.607E-02 0.578E-02 DAV: 3 -0.242924866693E+04 0.17285E-04 -0.40105E-04 2031 0.180E-02 0.477E-02 DAV: 4 -0.242924864203E+04 0.24908E-04 -0.15166E-04 1473 0.115E-02 0.261E-02 DAV: 5 -0.242924864585E+04 -0.38207E-05 -0.11317E-04 1869 0.105E-02 0.224E-02 DAV: 6 -0.242924863868E+04 0.71708E-05 -0.51231E-05 1212 0.611E-03 473 F= -.24292486E+04 E0= -.24293337E+04 d E =-.812721E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.242924873051E+04 -0.84667E-04 -0.38197E-01 1704 0.748E-01 0.150E-01 DAV: 2 -0.242924941758E+04 -0.68706E-03 -0.81311E-03 1968 0.100E-01 0.825E-02 DAV: 3 -0.242924936678E+04 0.50792E-04 -0.26764E-04 2103 0.191E-02 0.558E-02 DAV: 4 -0.242924936604E+04 0.74701E-06 -0.36316E-04 2103 0.185E-02 0.470E-02 DAV: 5 -0.242924934113E+04 0.24902E-04 -0.23159E-04 2094 0.154E-02 0.222E-02 DAV: 6 -0.242924933756E+04 0.35731E-05 -0.56578E-05 1365 0.708E-03 474 F= -.24292493E+04 E0= -.24293343E+04 d E =-.698885E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.242924921538E+04 0.12575E-03 -0.15798E-01 1704 0.481E-01 0.992E-02 DAV: 2 -0.242924950753E+04 -0.29214E-03 -0.34311E-03 1977 0.650E-02 0.530E-02 DAV: 3 -0.242924948807E+04 0.19460E-04 -0.10614E-04 2076 0.124E-02 0.358E-02 DAV: 4 -0.242924948900E+04 -0.93429E-06 -0.14596E-04 1797 0.122E-02 0.313E-02 DAV: 5 -0.242924947848E+04 0.10518E-04 -0.10264E-04 1725 0.103E-02 0.148E-02 DAV: 6 -0.242924947688E+04 0.16075E-05 -0.25495E-05 1059 0.476E-03 475 F= -.24292495E+04 E0= -.24293344E+04 d E =-.838200E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.242924951291E+04 -0.34423E-04 -0.43493E-01 1704 0.797E-01 0.162E-01 DAV: 2 -0.242925029058E+04 -0.77767E-03 -0.92530E-03 1959 0.107E-01 0.870E-02 DAV: 3 -0.242925022361E+04 0.66970E-04 -0.23808E-04 2094 0.199E-02 0.549E-02 DAV: 4 -0.242925022654E+04 -0.29271E-05 -0.45277E-04 2067 0.204E-02 0.431E-02 DAV: 5 -0.242925019827E+04 0.28270E-04 -0.25880E-04 2076 0.143E-02 0.144E-02 DAV: 6 -0.242925019733E+04 0.93986E-06 -0.22052E-05 1203 0.577E-03 476 F= -.24292502E+04 E0= -.24293350E+04 d E =-.720449E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.242925012813E+04 0.70140E-04 -0.95963E-02 1704 0.374E-01 0.791E-02 DAV: 2 -0.242925030638E+04 -0.17825E-03 -0.21018E-03 1968 0.509E-02 0.418E-02 DAV: 3 -0.242925029428E+04 0.12099E-04 -0.78666E-05 1752 0.105E-02 0.295E-02 DAV: 4 -0.242925029456E+04 -0.28293E-06 -0.12051E-04 1491 0.100E-02 0.286E-02 DAV: 5 -0.242925028633E+04 0.82372E-05 -0.67408E-05 1437 0.897E-03 477 F= -.24292503E+04 E0= -.24293351E+04 d E =-.809450E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.242925026834E+04 0.26223E-04 -0.46300E-01 1704 0.823E-01 0.165E-01 DAV: 2 -0.242925109656E+04 -0.82822E-03 -0.98902E-03 1968 0.111E-01 0.912E-02 DAV: 3 -0.242925103360E+04 0.62964E-04 -0.38274E-04 2103 0.222E-02 0.617E-02 DAV: 4 -0.242925102814E+04 0.54542E-05 -0.54117E-04 2238 0.203E-02 0.531E-02 DAV: 5 -0.242925099977E+04 0.28371E-04 -0.31626E-04 2193 0.172E-02 0.215E-02 DAV: 6 -0.242925099793E+04 0.18407E-05 -0.60323E-05 1554 0.764E-03 478 F= -.24292510E+04 E0= -.24293359E+04 d E =-.711606E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.242925093575E+04 0.64024E-04 -0.77290E-02 1704 0.336E-01 0.708E-02 DAV: 2 -0.242925108186E+04 -0.14611E-03 -0.17214E-03 1959 0.462E-02 0.376E-02 DAV: 3 -0.242925107245E+04 0.94114E-05 -0.63070E-05 1698 0.940E-03 479 F= -.24292511E+04 E0= -.24293360E+04 d E =-.786123E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.242925105761E+04 0.24249E-04 -0.53538E-01 1704 0.884E-01 0.183E-01 DAV: 2 -0.242925197882E+04 -0.92121E-03 -0.11240E-02 1986 0.117E-01 0.111E-01 DAV: 3 -0.242925193195E+04 0.46867E-04 -0.11447E-03 2193 0.317E-02 0.929E-02 DAV: 4 -0.242925184912E+04 0.82833E-04 -0.75917E-04 2247 0.243E-02 0.582E-02 DAV: 5 -0.242925185377E+04 -0.46468E-05 -0.47843E-04 2112 0.210E-02 0.437E-02 DAV: 6 -0.242925182756E+04 0.26210E-04 -0.20724E-04 1914 0.120E-02 0.124E-02 DAV: 7 -0.242925182767E+04 -0.11090E-06 -0.18686E-05 1185 0.547E-03 480 F= -.24292518E+04 E0= -.24293367E+04 d E =-.755219E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.242925174166E+04 0.85903E-04 -0.10857E-01 1704 0.398E-01 0.815E-02 DAV: 2 -0.242925194489E+04 -0.20324E-03 -0.24425E-03 1986 0.540E-02 0.491E-02 DAV: 3 -0.242925192969E+04 0.15207E-04 -0.26969E-04 1959 0.144E-02 0.369E-02 DAV: 4 -0.242925191425E+04 0.15435E-04 -0.11412E-04 1446 0.973E-03 0.215E-02 DAV: 5 -0.242925191555E+04 -0.13016E-05 -0.70930E-05 1752 0.920E-03 481 F= -.24292519E+04 E0= -.24293368E+04 d E =-.843105E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.242925192379E+04 -0.95371E-05 -0.42280E-01 1704 0.786E-01 0.160E-01 DAV: 2 -0.242925270219E+04 -0.77840E-03 -0.92321E-03 1959 0.106E-01 0.102E-01 DAV: 3 -0.242925267101E+04 0.31173E-04 -0.11811E-03 2301 0.311E-02 0.895E-02 DAV: 4 -0.242925258563E+04 0.85386E-04 -0.60527E-04 2283 0.206E-02 0.488E-02 DAV: 5 -0.242925259591E+04 -0.10285E-04 -0.36379E-04 2121 0.187E-02 0.385E-02 DAV: 6 -0.242925257362E+04 0.22294E-04 -0.16728E-04 1833 0.112E-02 0.109E-02 DAV: 7 -0.242925257369E+04 -0.73065E-07 -0.13604E-05 1095 0.457E-03 482 F= -.24292526E+04 E0= -.24293374E+04 d E =-.658136E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.242925240960E+04 0.16402E-03 -0.18191E-01 1704 0.516E-01 0.105E-01 DAV: 2 -0.242925275118E+04 -0.34158E-03 -0.40137E-03 1959 0.698E-02 0.665E-02 DAV: 3 -0.242925273644E+04 0.14743E-04 -0.50198E-04 2265 0.203E-02 0.583E-02 DAV: 4 -0.242925270007E+04 0.36365E-04 -0.25553E-04 1788 0.137E-02 0.319E-02 DAV: 5 -0.242925270422E+04 -0.41462E-05 -0.15647E-04 1986 0.123E-02 0.249E-02 DAV: 6 -0.242925269479E+04 0.94292E-05 -0.69246E-05 1401 0.728E-03 483 F= -.24292527E+04 E0= -.24293375E+04 d E =-.779236E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.242925261933E+04 0.84888E-04 -0.48970E-01 1704 0.845E-01 0.168E-01 DAV: 2 -0.242925349041E+04 -0.87108E-03 -0.10259E-02 1959 0.112E-01 0.933E-02 DAV: 3 -0.242925342566E+04 0.64746E-04 -0.37997E-04 2112 0.222E-02 0.640E-02 DAV: 4 -0.242925343103E+04 -0.53651E-05 -0.61975E-04 2337 0.215E-02 0.648E-02 DAV: 5 -0.242925339442E+04 0.36607E-04 -0.40061E-04 2247 0.181E-02 0.250E-02 DAV: 6 -0.242925339105E+04 0.33753E-05 -0.73754E-05 1617 0.845E-03 484 F= -.24292534E+04 E0= -.24293382E+04 d E =-.696257E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.242925328078E+04 0.11364E-03 -0.12582E-01 1704 0.429E-01 0.881E-02 DAV: 2 -0.242925351310E+04 -0.23231E-03 -0.27169E-03 1959 0.578E-02 0.478E-02 DAV: 3 -0.242925349888E+04 0.14218E-04 -0.11466E-04 1968 0.119E-02 0.338E-02 DAV: 4 -0.242925349872E+04 0.15585E-06 -0.16346E-04 1617 0.110E-02 0.324E-02 DAV: 5 -0.242925349079E+04 0.79364E-05 -0.97681E-05 1689 0.985E-03 485 F= -.24292535E+04 E0= -.24293382E+04 d E =-.795996E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.242925343684E+04 0.61882E-04 -0.51369E-01 1704 0.866E-01 0.178E-01 DAV: 2 -0.242925441503E+04 -0.97819E-03 -0.11603E-02 1986 0.119E-01 0.125E-01 DAV: 3 -0.242925436883E+04 0.46192E-04 -0.21147E-03 2337 0.377E-02 0.110E-01 DAV: 4 -0.242925423260E+04 0.13623E-03 -0.69209E-04 2274 0.232E-02 0.491E-02 DAV: 5 -0.242925423730E+04 -0.46996E-05 -0.27643E-04 2022 0.199E-02 0.249E-02 DAV: 6 -0.242925422918E+04 0.81233E-05 -0.95376E-05 1716 0.969E-03 486 F= -.24292542E+04 E0= -.24293389E+04 d E =-.738391E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.242925418583E+04 0.51472E-04 -0.75305E-02 1704 0.332E-01 0.713E-02 DAV: 2 -0.242925433671E+04 -0.15088E-03 -0.17681E-03 1977 0.464E-02 0.476E-02 DAV: 3 -0.242925433236E+04 0.43574E-05 -0.30788E-04 2049 0.148E-02 0.436E-02 DAV: 4 -0.242925431146E+04 0.20892E-04 -0.11389E-04 1527 0.933E-03 0.194E-02 DAV: 5 -0.242925431330E+04 -0.18366E-05 -0.50388E-05 1734 0.851E-03 487 F= -.24292543E+04 E0= -.24293390E+04 d E =-.822513E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.242925423461E+04 0.76858E-04 -0.55003E-01 1704 0.896E-01 0.180E-01 DAV: 2 -0.242925519323E+04 -0.95862E-03 -0.11459E-02 1968 0.119E-01 0.990E-02 DAV: 3 -0.242925512712E+04 0.66111E-04 -0.46836E-04 2094 0.243E-02 0.709E-02 DAV: 4 -0.242925511934E+04 0.77763E-05 -0.59495E-04 2292 0.227E-02 0.626E-02 DAV: 5 -0.242925508610E+04 0.33244E-04 -0.43645E-04 2220 0.201E-02 0.313E-02 DAV: 6 -0.242925507756E+04 0.85374E-05 -0.11621E-04 1824 0.956E-03 0.140E-02 DAV: 7 -0.242925507616E+04 0.13987E-05 -0.14073E-05 1104 0.505E-03 488 F= -.24292551E+04 E0= -.24293397E+04 d E =-.762859E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.242925499516E+04 0.82401E-04 -0.94722E-02 1704 0.372E-01 0.758E-02 DAV: 2 -0.242925516732E+04 -0.17217E-03 -0.20148E-03 1968 0.496E-02 0.412E-02 DAV: 3 -0.242925515545E+04 0.11873E-04 -0.76335E-05 1734 0.101E-02 0.291E-02 DAV: 4 -0.242925515484E+04 0.60815E-06 -0.10717E-04 1446 0.984E-03 0.259E-02 DAV: 5 -0.242925514844E+04 0.64026E-05 -0.70638E-05 1446 0.863E-03 489 F= -.24292551E+04 E0= -.24293398E+04 d E =-.835139E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.242925508638E+04 0.68460E-04 -0.46773E-01 1704 0.826E-01 0.162E-01 DAV: 2 -0.242925590137E+04 -0.81499E-03 -0.97014E-03 1968 0.109E-01 0.910E-02 DAV: 3 -0.242925584956E+04 0.51815E-04 -0.43001E-04 2112 0.220E-02 0.649E-02 DAV: 4 -0.242925583557E+04 0.13991E-04 -0.46143E-04 2148 0.200E-02 0.524E-02 DAV: 5 -0.242925581495E+04 0.20618E-04 -0.31963E-04 2157 0.179E-02 0.305E-02 DAV: 6 -0.242925580564E+04 0.93097E-05 -0.97941E-05 1617 0.899E-03 490 F= -.24292558E+04 E0= -.24293404E+04 d E =-.657199E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.242925559955E+04 0.21540E-03 -0.21636E-01 1704 0.562E-01 0.112E-01 DAV: 2 -0.242925598829E+04 -0.38874E-03 -0.45765E-03 1977 0.750E-02 0.620E-02 DAV: 3 -0.242925596557E+04 0.22721E-04 -0.19432E-04 2112 0.150E-02 0.440E-02 DAV: 4 -0.242925595984E+04 0.57298E-05 -0.20915E-04 1842 0.138E-02 0.356E-02 DAV: 5 -0.242925595039E+04 0.94491E-05 -0.14807E-04 2004 0.124E-02 0.206E-02 DAV: 6 -0.242925594610E+04 0.42843E-05 -0.44151E-05 1158 0.615E-03 491 F= -.24292559E+04 E0= -.24293405E+04 d E =-.797665E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.242925580514E+04 0.14525E-03 -0.56373E-01 1704 0.908E-01 0.179E-01 DAV: 2 -0.242925680041E+04 -0.99528E-03 -0.11756E-02 1959 0.120E-01 0.101E-01 DAV: 3 -0.242925674377E+04 0.56641E-04 -0.57420E-04 2184 0.250E-02 0.780E-02 DAV: 4 -0.242925672246E+04 0.21309E-04 -0.67576E-04 2274 0.224E-02 0.669E-02 DAV: 5 -0.242925668465E+04 0.37814E-04 -0.37266E-04 2130 0.202E-02 0.216E-02 DAV: 6 -0.242925668339E+04 0.12635E-05 -0.83332E-05 1806 0.923E-03 492 F= -.24292567E+04 E0= -.24293413E+04 d E =-.737283E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.242925656227E+04 0.12238E-03 -0.13069E-01 1704 0.437E-01 0.891E-02 DAV: 2 -0.242925680223E+04 -0.23996E-03 -0.28073E-03 1959 0.587E-02 0.490E-02 DAV: 3 -0.242925679206E+04 0.10174E-04 -0.15170E-04 2067 0.127E-02 0.393E-02 DAV: 4 -0.242925678482E+04 0.72320E-05 -0.16252E-04 1653 0.109E-02 0.315E-02 DAV: 5 -0.242925677751E+04 0.73179E-05 -0.83552E-05 1806 0.103E-02 493 F= -.24292568E+04 E0= -.24293414E+04 d E =-.831402E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.242925660377E+04 0.18105E-03 -0.61052E-01 1704 0.945E-01 0.185E-01 DAV: 2 -0.242925769087E+04 -0.10871E-02 -0.12812E-02 1968 0.125E-01 0.107E-01 DAV: 3 -0.242925762517E+04 0.65703E-04 -0.77537E-04 2103 0.274E-02 0.772E-02 DAV: 4 -0.242925758006E+04 0.45115E-04 -0.56376E-04 2094 0.218E-02 0.535E-02 DAV: 5 -0.242925756798E+04 0.12080E-04 -0.35007E-04 2094 0.198E-02 0.352E-02 DAV: 6 -0.242925755614E+04 0.11838E-04 -0.12877E-04 1824 0.101E-02 0.139E-02 DAV: 7 -0.242925755496E+04 0.11731E-05 -0.12511E-05 1077 0.482E-03 494 F= -.24292576E+04 E0= -.24293422E+04 d E =-.777457E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.242925729046E+04 0.26568E-03 -0.24769E-01 1704 0.602E-01 0.118E-01 DAV: 2 -0.242925774164E+04 -0.45119E-03 -0.52726E-03 1968 0.801E-02 0.689E-02 DAV: 3 -0.242925771397E+04 0.27678E-04 -0.34515E-04 2103 0.179E-02 0.500E-02 DAV: 4 -0.242925769378E+04 0.20186E-04 -0.24939E-04 1968 0.141E-02 0.335E-02 DAV: 5 -0.242925768850E+04 0.52840E-05 -0.13066E-04 1950 0.123E-02 0.205E-02 DAV: 6 -0.242925768459E+04 0.39099E-05 -0.43085E-05 1095 0.605E-03 495 F= -.24292577E+04 E0= -.24293424E+04 d E =-.907078E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.242925764077E+04 0.47723E-04 -0.49633E-01 1704 0.850E-01 0.166E-01 DAV: 2 -0.242925852792E+04 -0.88714E-03 -0.10435E-02 1950 0.113E-01 0.102E-01 DAV: 3 -0.242925848767E+04 0.40246E-04 -0.96076E-04 2148 0.292E-02 0.844E-02 DAV: 4 -0.242925841795E+04 0.69717E-04 -0.58569E-04 2184 0.213E-02 0.530E-02 DAV: 5 -0.242925842448E+04 -0.65267E-05 -0.41999E-04 2094 0.196E-02 0.425E-02 DAV: 6 -0.242925840042E+04 0.24064E-04 -0.19028E-04 1869 0.116E-02 0.116E-02 DAV: 7 -0.242925840078E+04 -0.35933E-06 -0.16084E-05 1122 0.493E-03 496 F= -.24292584E+04 E0= -.24293430E+04 d E =-.716190E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.242925775479E+04 0.64562E-03 -0.60539E-01 1704 0.939E-01 0.182E-01 DAV: 2 -0.242925883873E+04 -0.10839E-02 -0.12739E-02 1959 0.124E-01 0.113E-01 DAV: 3 -0.242925878763E+04 0.51105E-04 -0.12030E-03 2157 0.325E-02 0.935E-02 DAV: 4 -0.242925870158E+04 0.86046E-04 -0.73681E-04 2211 0.237E-02 0.585E-02 DAV: 5 -0.242925870927E+04 -0.76864E-05 -0.51499E-04 2112 0.216E-02 0.469E-02 DAV: 6 -0.242925867948E+04 0.29787E-04 -0.23387E-04 1995 0.128E-02 0.129E-02 DAV: 7 -0.242925867977E+04 -0.28434E-06 -0.20205E-05 1176 0.559E-03 497 F= -.24292587E+04 E0= -.24293431E+04 d E =-.995182E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.242925843164E+04 0.24785E-03 -0.69223E-01 1704 0.100E+00 0.196E-01 DAV: 2 -0.242925965666E+04 -0.12250E-02 -0.14442E-02 1941 0.133E-01 0.112E-01 DAV: 3 -0.242925957357E+04 0.83089E-04 -0.74930E-04 2112 0.286E-02 0.815E-02 DAV: 4 -0.242925954360E+04 0.29969E-04 -0.82438E-04 2193 0.252E-02 0.660E-02 DAV: 5 -0.242925951473E+04 0.28872E-04 -0.49600E-04 2130 0.222E-02 0.378E-02 DAV: 6 -0.242925950128E+04 0.13453E-04 -0.16935E-04 1977 0.109E-02 0.152E-02 DAV: 7 -0.242925949954E+04 0.17338E-05 -0.15999E-05 1131 0.538E-03 498 F= -.24292595E+04 E0= -.24293439E+04 d E =-.819777E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.242925928965E+04 0.21163E-03 -0.21151E-01 1704 0.555E-01 0.109E-01 DAV: 2 -0.242925967106E+04 -0.38142E-03 -0.44528E-03 1941 0.736E-02 0.621E-02 DAV: 3 -0.242925964545E+04 0.25610E-04 -0.20932E-04 2067 0.156E-02 0.445E-02 DAV: 4 -0.242925963802E+04 0.74326E-05 -0.24111E-04 1842 0.140E-02 0.365E-02 DAV: 5 -0.242925962803E+04 0.99886E-05 -0.15076E-04 1932 0.124E-02 0.201E-02 DAV: 6 -0.242925962435E+04 0.36802E-05 -0.46796E-05 1248 0.599E-03 499 F= -.24292596E+04 E0= -.24293441E+04 d E =-.944586E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.242925939181E+04 0.23622E-03 -0.67383E-01 1704 0.991E-01 0.193E-01 DAV: 2 -0.242926056844E+04 -0.11766E-02 -0.13981E-02 1950 0.131E-01 0.112E-01 DAV: 3 -0.242926049549E+04 0.72944E-04 -0.82426E-04 2175 0.280E-02 0.858E-02 DAV: 4 -0.242926046358E+04 0.31917E-04 -0.86000E-04 2328 0.236E-02 0.703E-02 DAV: 5 -0.242926043717E+04 0.26405E-04 -0.49714E-04 2211 0.216E-02 0.343E-02 DAV: 6 -0.242926042301E+04 0.14157E-04 -0.16305E-04 1932 0.112E-02 0.140E-02 DAV: 7 -0.242926042138E+04 0.16345E-05 -0.15615E-05 1113 0.542E-03 500 F= -.24292604E+04 E0= -.24293450E+04 d E =-.797027E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.242926014345E+04 0.27957E-03 -0.26887E-01 1704 0.626E-01 0.122E-01 DAV: 2 -0.242926062064E+04 -0.47719E-03 -0.56073E-03 1959 0.826E-02 0.707E-02 DAV: 3 -0.242926058984E+04 0.30796E-04 -0.30809E-04 2166 0.176E-02 0.529E-02 DAV: 4 -0.242926057936E+04 0.10481E-04 -0.35065E-04 2202 0.151E-02 0.442E-02 DAV: 5 -0.242926056804E+04 0.11325E-04 -0.19113E-04 2040 0.134E-02 0.216E-02 DAV: 6 -0.242926056261E+04 0.54325E-05 -0.58757E-05 1392 0.685E-03 501 F= -.24292606E+04 E0= -.24293453E+04 d E =-.938254E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.242926041943E+04 0.14861E-03 -0.58822E-01 1704 0.924E-01 0.175E-01 DAV: 2 -0.242926143477E+04 -0.10153E-02 -0.11900E-02 1932 0.120E-01 0.101E-01 DAV: 3 -0.242926136150E+04 0.73264E-04 -0.32775E-04 2112 0.214E-02 0.673E-02 DAV: 4 -0.242926139932E+04 -0.37816E-04 -0.77498E-04 2418 0.244E-02 0.849E-02 DAV: 5 -0.242926132035E+04 0.78968E-04 -0.52864E-04 2310 0.192E-02 0.163E-02 DAV: 6 -0.242926132725E+04 -0.68969E-05 -0.49194E-05 1671 0.760E-03 502 F= -.24292613E+04 E0= -.24293459E+04 d E =-.764642E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.242926077242E+04 0.54793E-03 -0.51362E-01 1704 0.863E-01 0.165E-01 DAV: 2 -0.242926166823E+04 -0.89581E-03 -0.10459E-02 1932 0.113E-01 0.948E-02 DAV: 3 -0.242926161082E+04 0.57403E-04 -0.34047E-04 2130 0.209E-02 0.658E-02 DAV: 4 -0.242926163213E+04 -0.21307E-04 -0.66743E-04 2373 0.225E-02 0.754E-02 DAV: 5 -0.242926157081E+04 0.61322E-04 -0.41625E-04 2247 0.185E-02 0.143E-02 DAV: 6 -0.242926157585E+04 -0.50416E-05 -0.42156E-05 1563 0.756E-03 503 F= -.24292616E+04 E0= -.24293461E+04 d E =-.101324E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242926123337E+04 0.33743E-03 -0.81844E-01 1704 0.109E+00 0.213E-01 DAV: 2 -0.242926266172E+04 -0.14283E-02 -0.16824E-02 1959 0.143E-01 0.120E-01 DAV: 3 -0.242926255897E+04 0.10274E-03 -0.65779E-04 2094 0.269E-02 0.797E-02 DAV: 4 -0.242926255293E+04 0.60433E-05 -0.92009E-04 2121 0.266E-02 0.646E-02 DAV: 5 -0.242926249900E+04 0.53930E-04 -0.49042E-04 2076 0.201E-02 0.174E-02 DAV: 6 -0.242926250034E+04 -0.13409E-05 -0.57841E-05 1734 0.847E-03 504 F= -.24292625E+04 E0= -.24293468E+04 d E =-.924492E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.242926225406E+04 0.24494E-03 -0.24047E-01 1704 0.591E-01 0.119E-01 DAV: 2 -0.242926268563E+04 -0.43157E-03 -0.50422E-03 1959 0.784E-02 0.661E-02 DAV: 3 -0.242926266138E+04 0.24255E-04 -0.26040E-04 2112 0.161E-02 0.482E-02 DAV: 4 -0.242926265364E+04 0.77383E-05 -0.29792E-04 1977 0.145E-02 0.402E-02 DAV: 5 -0.242926264327E+04 0.10369E-04 -0.16767E-04 2040 0.126E-02 0.199E-02 DAV: 6 -0.242926263912E+04 0.41484E-05 -0.51098E-05 1311 0.640E-03 505 F= -.24292626E+04 E0= -.24293469E+04 d E =-.106327E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242926218504E+04 0.45823E-03 -0.83099E-01 1704 0.110E+00 0.217E-01 DAV: 2 -0.242926363692E+04 -0.14519E-02 -0.17113E-02 1950 0.145E-01 0.119E-01 DAV: 3 -0.242926352271E+04 0.11421E-03 -0.55524E-04 2103 0.268E-02 0.785E-02 DAV: 4 -0.242926352648E+04 -0.37718E-05 -0.89885E-04 2148 0.267E-02 0.639E-02 DAV: 5 -0.242926346465E+04 0.61839E-04 -0.46848E-04 2076 0.203E-02 0.166E-02 DAV: 6 -0.242926346598E+04 -0.13347E-05 -0.55167E-05 1743 0.845E-03 506 F= -.24292635E+04 E0= -.24293479E+04 d E =-.826859E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.242926331591E+04 0.14874E-03 -0.14205E-01 1704 0.455E-01 0.931E-02 DAV: 2 -0.242926357500E+04 -0.25909E-03 -0.30079E-03 1959 0.606E-02 0.500E-02 DAV: 3 -0.242926356059E+04 0.14411E-04 -0.12883E-04 2004 0.125E-02 0.363E-02 DAV: 4 -0.242926355805E+04 0.25368E-05 -0.16770E-04 1554 0.116E-02 0.319E-02 DAV: 5 -0.242926354979E+04 0.82604E-05 -0.10755E-04 1815 0.105E-02 0.151E-02 DAV: 6 -0.242926354782E+04 0.19670E-05 -0.28394E-05 1068 0.496E-03 507 F= -.24292635E+04 E0= -.24293480E+04 d E =-.908701E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.242926299480E+04 0.55499E-03 -0.91373E-01 1704 0.115E+00 0.223E-01 DAV: 2 -0.242926456634E+04 -0.15715E-02 -0.18494E-02 1959 0.150E-01 0.124E-01 DAV: 3 -0.242926444004E+04 0.12630E-03 -0.38737E-04 2085 0.257E-02 0.782E-02 DAV: 4 -0.242926448565E+04 -0.45612E-04 -0.93020E-04 2247 0.309E-02 0.910E-02 DAV: 5 -0.242926439154E+04 0.94115E-04 -0.70418E-04 2328 0.212E-02 0.250E-02 DAV: 6 -0.242926439481E+04 -0.32743E-05 -0.75238E-05 1761 0.840E-03 508 F= -.24292644E+04 E0= -.24293487E+04 d E =-.846989E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.242926424254E+04 0.14900E-03 -0.13898E-01 1704 0.449E-01 0.915E-02 DAV: 2 -0.242926449390E+04 -0.25136E-03 -0.29185E-03 1959 0.597E-02 0.490E-02 DAV: 3 -0.242926447895E+04 0.14949E-04 -0.74333E-05 2004 0.109E-02 0.328E-02 DAV: 4 -0.242926448793E+04 -0.89744E-05 -0.17248E-04 1743 0.122E-02 0.403E-02 DAV: 5 -0.242926446976E+04 0.18166E-04 -0.12068E-04 1698 0.100E-02 0.810E-03 DAV: 6 -0.242926447117E+04 -0.14084E-05 -0.13084E-05 1059 0.414E-03 509 F= -.24292645E+04 E0= -.24293488E+04 d E =-.923347E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.242926380087E+04 0.66889E-03 -0.99405E-01 1704 0.120E+00 0.235E-01 DAV: 2 -0.242926553136E+04 -0.17305E-02 -0.20459E-02 1950 0.158E-01 0.132E-01 DAV: 3 -0.242926541422E+04 0.11714E-03 -0.94175E-04 2094 0.321E-02 0.920E-02 DAV: 4 -0.242926539018E+04 0.24037E-04 -0.11583E-03 2121 0.286E-02 0.735E-02 DAV: 5 -0.242926533888E+04 0.51297E-04 -0.61975E-04 2121 0.254E-02 0.372E-02 DAV: 6 -0.242926532898E+04 0.99017E-05 -0.16347E-04 2040 0.117E-02 0.180E-02 DAV: 7 -0.242926532598E+04 0.29987E-05 -0.16052E-05 1131 0.559E-03 510 F= -.24292653E+04 E0= -.24293496E+04 d E =-.854815E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.242926516640E+04 0.16259E-03 -0.14011E-01 1704 0.452E-01 0.897E-02 DAV: 2 -0.242926542077E+04 -0.25438E-03 -0.29512E-03 1950 0.599E-02 0.499E-02 DAV: 3 -0.242926540447E+04 0.16303E-04 -0.12445E-04 1941 0.122E-02 0.344E-02 DAV: 4 -0.242926540174E+04 0.27274E-05 -0.15675E-04 1545 0.108E-02 0.274E-02 DAV: 5 -0.242926539400E+04 0.77487E-05 -0.85844E-05 1680 0.985E-03 511 F= -.24292654E+04 E0= -.24293497E+04 d E =-.922826E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.242926498156E+04 0.42018E-03 -0.82862E-01 1704 0.110E+00 0.210E-01 DAV: 2 -0.242926645039E+04 -0.14688E-02 -0.17292E-02 1923 0.145E-01 0.132E-01 DAV: 3 -0.242926639578E+04 0.54608E-04 -0.18059E-03 2193 0.383E-02 0.113E-01 DAV: 4 -0.242926626842E+04 0.12736E-03 -0.10954E-03 2211 0.276E-02 0.679E-02 DAV: 5 -0.242926628135E+04 -0.12927E-04 -0.66541E-04 2112 0.247E-02 0.520E-02 DAV: 6 -0.242926624272E+04 0.38627E-04 -0.30652E-04 2031 0.144E-02 0.145E-02 DAV: 7 -0.242926624282E+04 -0.95039E-07 -0.22822E-05 1347 0.584E-03 512 F= -.24292662E+04 E0= -.24293507E+04 d E =-.848822E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.242926543942E+04 0.80331E-03 -0.69595E-01 1704 0.101E+00 0.192E-01 DAV: 2 -0.242926668732E+04 -0.12479E-02 -0.14598E-02 1932 0.133E-01 0.121E-01 DAV: 3 -0.242926663866E+04 0.48661E-04 -0.14903E-03 2211 0.349E-02 0.105E-01 DAV: 4 -0.242926653227E+04 0.10639E-03 -0.94332E-04 2229 0.257E-02 0.630E-02 DAV: 5 -0.242926654200E+04 -0.97282E-05 -0.56161E-04 2112 0.226E-02 0.472E-02 DAV: 6 -0.242926650959E+04 0.32413E-04 -0.25414E-04 2004 0.131E-02 0.132E-02 DAV: 7 -0.242926650934E+04 0.24418E-06 -0.19574E-05 1239 0.559E-03 513 F= -.24292665E+04 E0= -.24293511E+04 d E =-.111535E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242926601638E+04 0.49321E-03 -0.92083E-01 1704 0.116E+00 0.223E-01 DAV: 2 -0.242926762815E+04 -0.16118E-02 -0.18938E-02 1932 0.152E-01 0.130E-01 DAV: 3 -0.242926753039E+04 0.97759E-04 -0.10123E-03 2103 0.326E-02 0.961E-02 DAV: 4 -0.242926748321E+04 0.47180E-04 -0.10187E-03 2238 0.285E-02 0.760E-02 DAV: 5 -0.242926745370E+04 0.29516E-04 -0.65790E-04 2184 0.257E-02 0.470E-02 DAV: 6 -0.242926743090E+04 0.22794E-04 -0.23504E-04 2013 0.132E-02 0.169E-02 DAV: 7 -0.242926742970E+04 0.12036E-05 -0.24553E-05 1212 0.642E-03 514 F= -.24292674E+04 E0= -.24293520E+04 d E =-.920353E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.242926696490E+04 0.46600E-03 -0.41648E-01 1704 0.777E-01 0.151E-01 DAV: 2 -0.242926770377E+04 -0.73887E-03 -0.86434E-03 1932 0.102E-01 0.878E-02 DAV: 3 -0.242926766024E+04 0.43529E-04 -0.46392E-04 2103 0.221E-02 0.643E-02 DAV: 4 -0.242926763942E+04 0.20819E-04 -0.47390E-04 2121 0.193E-02 0.503E-02 DAV: 5 -0.242926762579E+04 0.13631E-04 -0.28663E-04 2112 0.173E-02 0.309E-02 DAV: 6 -0.242926761598E+04 0.98072E-05 -0.98452E-05 1599 0.867E-03 515 F= -.24292676E+04 E0= -.24293520E+04 d E =-.110664E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242926709743E+04 0.52836E-03 -0.87663E-01 1704 0.113E+00 0.217E-01 DAV: 2 -0.242926863493E+04 -0.15375E-02 -0.17975E-02 1932 0.148E-01 0.125E-01 DAV: 3 -0.242926853766E+04 0.97271E-04 -0.61925E-04 2148 0.280E-02 0.886E-02 DAV: 4 -0.242926856729E+04 -0.29636E-04 -0.11317E-03 2445 0.293E-02 0.992E-02 DAV: 5 -0.242926846539E+04 0.10191E-03 -0.70675E-04 2247 0.242E-02 0.182E-02 DAV: 6 -0.242926847391E+04 -0.85213E-05 -0.71675E-05 1923 0.997E-03 516 F= -.24292685E+04 E0= -.24293528E+04 d E =-.857925E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.242926818446E+04 0.28093E-03 -0.25474E-01 1704 0.608E-01 0.119E-01 DAV: 2 -0.242926864298E+04 -0.45852E-03 -0.53091E-03 1941 0.804E-02 0.676E-02 DAV: 3 -0.242926861750E+04 0.25476E-04 -0.18693E-04 2148 0.156E-02 0.487E-02 DAV: 4 -0.242926862344E+04 -0.59405E-05 -0.32774E-04 2229 0.157E-02 0.514E-02 DAV: 5 -0.242926859675E+04 0.26688E-04 -0.18776E-04 2067 0.131E-02 0.106E-02 DAV: 6 -0.242926859856E+04 -0.18053E-05 -0.25360E-05 1320 0.561E-03 517 F= -.24292686E+04 E0= -.24293528E+04 d E =-.982576E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.242926793451E+04 0.66225E-03 -0.10587E+00 1704 0.124E+00 0.240E-01 DAV: 2 -0.242926978240E+04 -0.18479E-02 -0.21743E-02 1923 0.162E-01 0.140E-01 DAV: 3 -0.242926969084E+04 0.91564E-04 -0.13421E-03 2157 0.366E-02 0.112E-01 DAV: 4 -0.242926961160E+04 0.79240E-04 -0.11914E-03 2265 0.301E-02 0.826E-02 DAV: 5 -0.242926958183E+04 0.29765E-04 -0.77944E-04 2157 0.276E-02 0.442E-02 DAV: 6 -0.242926955694E+04 0.24887E-04 -0.24641E-04 2067 0.146E-02 0.166E-02 DAV: 7 -0.242926955558E+04 0.13612E-05 -0.27642E-05 1374 0.673E-03 518 F= -.24292696E+04 E0= -.24293538E+04 d E =-.957023E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.242926890004E+04 0.65690E-03 -0.54284E-01 1704 0.888E-01 0.173E-01 DAV: 2 -0.242926985981E+04 -0.95977E-03 -0.11213E-02 1923 0.117E-01 0.100E-01 DAV: 3 -0.242926981238E+04 0.47429E-04 -0.68021E-04 2157 0.262E-02 0.797E-02 DAV: 4 -0.242926977261E+04 0.39772E-04 -0.62427E-04 2247 0.217E-02 0.588E-02 DAV: 5 -0.242926975723E+04 0.15385E-04 -0.39522E-04 2139 0.198E-02 0.328E-02 DAV: 6 -0.242926974347E+04 0.13754E-04 -0.12906E-04 1797 0.105E-02 0.118E-02 DAV: 7 -0.242926974270E+04 0.77195E-06 -0.15022E-05 1113 0.509E-03 519 F= -.24292697E+04 E0= -.24293542E+04 d E =-.114414E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242926928880E+04 0.45467E-03 -0.87421E-01 1704 0.113E+00 0.213E-01 DAV: 2 -0.242927079847E+04 -0.15097E-02 -0.17617E-02 1914 0.146E-01 0.121E-01 DAV: 3 -0.242927068878E+04 0.10969E-03 -0.49403E-04 2094 0.264E-02 0.805E-02 DAV: 4 -0.242927071496E+04 -0.26176E-04 -0.94111E-04 2310 0.283E-02 0.786E-02 DAV: 5 -0.242927064188E+04 0.73082E-04 -0.64911E-04 2238 0.231E-02 0.333E-02 DAV: 6 -0.242927063497E+04 0.69085E-05 -0.12972E-04 1923 0.103E-02 0.157E-02 DAV: 7 -0.242927063314E+04 0.18236E-05 -0.16770E-05 1158 0.538E-03 520 F= -.24292706E+04 E0= -.24293550E+04 d E =-.890444E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.242926942588E+04 0.12091E-02 -0.99041E-01 1704 0.120E+00 0.228E-01 DAV: 2 -0.242927114302E+04 -0.17171E-02 -0.20004E-02 1914 0.156E-01 0.129E-01 DAV: 3 -0.242927102051E+04 0.12250E-03 -0.55595E-04 2094 0.282E-02 0.858E-02 DAV: 4 -0.242927105357E+04 -0.33055E-04 -0.10763E-03 2319 0.303E-02 0.860E-02 DAV: 5 -0.242927096786E+04 0.85707E-04 -0.76055E-04 2265 0.248E-02 0.360E-02 DAV: 6 -0.242927095986E+04 0.80056E-05 -0.15119E-04 1986 0.112E-02 0.169E-02 DAV: 7 -0.242927095780E+04 0.20577E-05 -0.19648E-05 1194 0.577E-03 521 F= -.24292710E+04 E0= -.24293552E+04 d E =-.121510E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242927029654E+04 0.66332E-03 -0.10135E+00 1704 0.121E+00 0.233E-01 DAV: 2 -0.242927207428E+04 -0.17777E-02 -0.20765E-02 1923 0.159E-01 0.133E-01 DAV: 3 -0.242927194047E+04 0.13381E-03 -0.55944E-04 2085 0.283E-02 0.865E-02 DAV: 4 -0.242927199830E+04 -0.57827E-04 -0.12827E-03 2328 0.321E-02 0.101E-01 DAV: 5 -0.242927187972E+04 0.11858E-03 -0.71595E-04 2319 0.245E-02 0.245E-02 DAV: 6 -0.242927188522E+04 -0.54947E-05 -0.10414E-04 1932 0.103E-02 0.167E-02 DAV: 7 -0.242927188246E+04 0.27521E-05 -0.20440E-05 1068 0.566E-03 522 F= -.24292719E+04 E0= -.24293561E+04 d E =-.924664E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.242927157947E+04 0.30575E-03 -0.27578E-01 1704 0.632E-01 0.122E-01 DAV: 2 -0.242927207010E+04 -0.49063E-03 -0.56866E-03 1914 0.830E-02 0.689E-02 DAV: 3 -0.242927203255E+04 0.37550E-04 -0.12792E-04 2085 0.144E-02 0.434E-02 DAV: 4 -0.242927204636E+04 -0.13810E-04 -0.31184E-04 2238 0.172E-02 0.486E-02 DAV: 5 -0.242927201842E+04 0.27941E-04 -0.18840E-04 1923 0.117E-02 0.132E-02 DAV: 6 -0.242927201927E+04 -0.85519E-06 -0.21848E-05 1176 0.486E-03 523 F= -.24292720E+04 E0= -.24293562E+04 d E =-.106147E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242927159180E+04 0.42661E-03 -0.79612E-01 1704 0.108E+00 0.213E-01 DAV: 2 -0.242927299582E+04 -0.14040E-02 -0.16364E-02 1959 0.141E-01 0.117E-01 DAV: 3 -0.242927289108E+04 0.10474E-03 -0.39021E-04 2085 0.251E-02 0.758E-02 DAV: 4 -0.242927294422E+04 -0.53135E-04 -0.99616E-04 2310 0.292E-02 0.888E-02 DAV: 5 -0.242927284336E+04 0.10086E-03 -0.61296E-04 2283 0.226E-02 0.201E-02 DAV: 6 -0.242927284933E+04 -0.59773E-05 -0.68452E-05 1878 0.866E-03 524 F= -.24292728E+04 E0= -.24293573E+04 d E =-.830063E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.242927260101E+04 0.24235E-03 -0.22910E-01 1704 0.577E-01 0.118E-01 DAV: 2 -0.242927301752E+04 -0.41651E-03 -0.48188E-03 1959 0.766E-02 0.630E-02 DAV: 3 -0.242927299141E+04 0.26108E-04 -0.12242E-04 2085 0.140E-02 0.419E-02 DAV: 4 -0.242927300738E+04 -0.15972E-04 -0.30324E-04 2193 0.158E-02 0.506E-02 DAV: 5 -0.242927297698E+04 0.30400E-04 -0.17812E-04 2049 0.125E-02 0.101E-02 DAV: 6 -0.242927297903E+04 -0.20460E-05 -0.18061E-05 1257 0.497E-03 525 F= -.24292730E+04 E0= -.24293576E+04 d E =-.959754E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.242927251556E+04 0.46142E-03 -0.83460E-01 1704 0.110E+00 0.216E-01 DAV: 2 -0.242927398027E+04 -0.14647E-02 -0.17273E-02 1950 0.145E-01 0.123E-01 DAV: 3 -0.242927389529E+04 0.84972E-04 -0.91897E-04 2094 0.311E-02 0.903E-02 DAV: 4 -0.242927385665E+04 0.38641E-04 -0.93920E-04 2238 0.272E-02 0.727E-02 DAV: 5 -0.242927382454E+04 0.32110E-04 -0.58529E-04 2175 0.243E-02 0.427E-02 DAV: 6 -0.242927380732E+04 0.17226E-04 -0.20436E-04 2031 0.124E-02 0.162E-02 DAV: 7 -0.242927380596E+04 0.13553E-05 -0.21955E-05 1230 0.598E-03 526 F= -.24292738E+04 E0= -.24293584E+04 d E =-.826935E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.242927361688E+04 0.19043E-03 -0.17805E-01 1704 0.508E-01 0.101E-01 DAV: 2 -0.242927393858E+04 -0.32170E-03 -0.37529E-03 1959 0.675E-02 0.573E-02 DAV: 3 -0.242927392044E+04 0.18147E-04 -0.20517E-04 2067 0.146E-02 0.417E-02 DAV: 4 -0.242927391164E+04 0.87926E-05 -0.20748E-04 1626 0.127E-02 0.324E-02 DAV: 5 -0.242927390553E+04 0.61123E-05 -0.12191E-04 1923 0.115E-02 0.197E-02 DAV: 6 -0.242927390175E+04 0.37795E-05 -0.39753E-05 1113 0.570E-03 527 F= -.24292739E+04 E0= -.24293585E+04 d E =-.922728E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.242927347741E+04 0.42813E-03 -0.79515E-01 1704 0.107E+00 0.208E-01 DAV: 2 -0.242927487076E+04 -0.13933E-02 -0.16597E-02 1941 0.142E-01 0.126E-01 DAV: 3 -0.242927480589E+04 0.64865E-04 -0.14293E-03 2130 0.346E-02 0.101E-01 DAV: 4 -0.242927471608E+04 0.89807E-04 -0.91582E-04 2220 0.267E-02 0.673E-02 DAV: 5 -0.242927471903E+04 -0.29450E-05 -0.62556E-04 2166 0.247E-02 0.523E-02 DAV: 6 -0.242927468411E+04 0.34916E-04 -0.29346E-04 2058 0.146E-02 0.146E-02 DAV: 7 -0.242927468492E+04 -0.80628E-06 -0.28295E-05 1374 0.621E-03 528 F= -.24292747E+04 E0= -.24293591E+04 d E =-.783166E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.242927431756E+04 0.36655E-03 -0.33233E-01 1704 0.693E-01 0.135E-01 DAV: 2 -0.242927491042E+04 -0.59286E-03 -0.70032E-03 1950 0.920E-02 0.812E-02 DAV: 3 -0.242927488286E+04 0.27560E-04 -0.59387E-04 2112 0.225E-02 0.649E-02 DAV: 4 -0.242927484565E+04 0.37215E-04 -0.38799E-04 2076 0.174E-02 0.431E-02 DAV: 5 -0.242927484675E+04 -0.10961E-05 -0.25379E-04 2076 0.159E-02 0.336E-02 DAV: 6 -0.242927483216E+04 0.14582E-04 -0.11485E-04 1491 0.925E-03 0.926E-03 DAV: 7 -0.242927483242E+04 -0.25990E-06 -0.11815E-05 1041 0.423E-03 529 F= -.24292748E+04 E0= -.24293591E+04 d E =-.930671E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.242927428759E+04 0.54457E-03 -0.91700E-01 1704 0.115E+00 0.220E-01 DAV: 2 -0.242927589706E+04 -0.16095E-02 -0.18760E-02 1941 0.150E-01 0.126E-01 DAV: 3 -0.242927578500E+04 0.11206E-03 -0.60746E-04 2085 0.281E-02 0.845E-02 DAV: 4 -0.242927580098E+04 -0.15987E-04 -0.10147E-03 2202 0.291E-02 0.794E-02 DAV: 5 -0.242927572891E+04 0.72072E-04 -0.66361E-04 2229 0.243E-02 0.333E-02 DAV: 6 -0.242927572386E+04 0.50486E-05 -0.13814E-04 1950 0.108E-02 0.178E-02 DAV: 7 -0.242927572083E+04 0.30338E-05 -0.17524E-05 1158 0.558E-03 530 F= -.24292757E+04 E0= -.24293602E+04 d E =-.888404E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.242927507723E+04 0.64663E-03 -0.53000E-01 1704 0.874E-01 0.169E-01 DAV: 2 -0.242927601966E+04 -0.94243E-03 -0.10938E-02 1941 0.115E-01 0.957E-02 DAV: 3 -0.242927595467E+04 0.64987E-04 -0.32956E-04 2085 0.214E-02 0.634E-02 DAV: 4 -0.242927596761E+04 -0.12934E-04 -0.58867E-04 2175 0.223E-02 0.600E-02 DAV: 5 -0.242927592379E+04 0.43823E-04 -0.38485E-04 2220 0.185E-02 0.246E-02 DAV: 6 -0.242927592115E+04 0.26358E-05 -0.73932E-05 1698 0.808E-03 531 F= -.24292759E+04 E0= -.24293605E+04 d E =-.108873E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242927550321E+04 0.42058E-03 -0.78806E-01 1704 0.107E+00 0.207E-01 DAV: 2 -0.242927691227E+04 -0.14091E-02 -0.16433E-02 1914 0.140E-01 0.121E-01 DAV: 3 -0.242927686019E+04 0.52079E-04 -0.11061E-03 2238 0.308E-02 0.101E-01 DAV: 4 -0.242927680101E+04 0.59182E-04 -0.94142E-04 2355 0.253E-02 0.740E-02 DAV: 5 -0.242927677359E+04 0.27423E-04 -0.49580E-04 2103 0.230E-02 0.281E-02 DAV: 6 -0.242927676605E+04 0.75394E-05 -0.16161E-04 1959 0.112E-02 0.148E-02 DAV: 7 -0.242927676358E+04 0.24683E-05 -0.12470E-05 1050 0.491E-03 532 F= -.24292768E+04 E0= -.24293613E+04 d E =-.842427E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.242927482925E+04 0.19368E-02 -0.14720E+00 1704 0.146E+00 0.280E-01 DAV: 2 -0.242927744832E+04 -0.26191E-02 -0.30495E-02 1932 0.191E-01 0.166E-01 DAV: 3 -0.242927733735E+04 0.11098E-03 -0.20361E-03 2247 0.415E-02 0.136E-01 DAV: 4 -0.242927722905E+04 0.10830E-03 -0.17163E-03 2346 0.345E-02 0.101E-01 DAV: 5 -0.242927717461E+04 0.54435E-04 -0.93143E-04 2112 0.311E-02 0.387E-02 DAV: 6 -0.242927716018E+04 0.14432E-04 -0.29547E-04 2013 0.152E-02 0.198E-02 DAV: 7 -0.242927715577E+04 0.44096E-05 -0.24825E-05 1329 0.682E-03 533 F= -.24292772E+04 E0= -.24293617E+04 d E =-.123462E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242927684451E+04 0.31567E-03 -0.71294E-01 1704 0.101E+00 0.191E-01 DAV: 2 -0.242927811241E+04 -0.12679E-02 -0.14580E-02 1914 0.132E-01 0.110E-01 DAV: 3 -0.242927803873E+04 0.73673E-04 -0.43942E-04 2112 0.243E-02 0.772E-02 DAV: 4 -0.242927806467E+04 -0.25931E-04 -0.83805E-04 2373 0.252E-02 0.862E-02 DAV: 5 -0.242927799153E+04 0.73140E-04 -0.58354E-04 2283 0.215E-02 0.209E-02 DAV: 6 -0.242927799490E+04 -0.33755E-05 -0.85963E-05 1878 0.905E-03 534 F= -.24292780E+04 E0= -.24293624E+04 d E =-.839130E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.242927458141E+04 0.34101E-02 -0.26241E+00 1704 0.194E+00 0.368E-01 DAV: 2 -0.242927920730E+04 -0.46259E-02 -0.53593E-02 1914 0.253E-01 0.212E-01 DAV: 3 -0.242927895655E+04 0.25075E-03 -0.20020E-03 2130 0.495E-02 0.155E-01 DAV: 4 -0.242927896352E+04 -0.69741E-05 -0.28823E-03 2364 0.472E-02 0.152E-01 DAV: 5 -0.242927877684E+04 0.18669E-03 -0.22096E-03 2247 0.423E-02 0.546E-02 DAV: 6 -0.242927875757E+04 0.19271E-04 -0.44907E-04 1995 0.200E-02 0.283E-02 DAV: 7 -0.242927875134E+04 0.62300E-05 -0.55234E-05 1815 0.944E-03 535 F= -.24292788E+04 E0= -.24293629E+04 d E =-.159557E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242927856926E+04 0.18830E-03 -0.80532E-01 1704 0.108E+00 0.217E-01 DAV: 2 -0.242928004299E+04 -0.14737E-02 -0.17116E-02 1923 0.144E-01 0.122E-01 DAV: 3 -0.242927998097E+04 0.62025E-04 -0.99344E-04 2220 0.311E-02 0.101E-01 DAV: 4 -0.242927993254E+04 0.48428E-04 -0.11591E-03 2328 0.264E-02 0.775E-02 DAV: 5 -0.242927989788E+04 0.34655E-04 -0.47338E-04 2130 0.232E-02 0.292E-02 DAV: 6 -0.242927989043E+04 0.74578E-05 -0.15595E-04 1995 0.114E-02 0.155E-02 DAV: 7 -0.242927988762E+04 0.28045E-05 -0.14734E-05 1095 0.541E-03 536 F= -.24292799E+04 E0= -.24293642E+04 d E =-.113628E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242927897349E+04 0.91694E-03 -0.80181E-01 1704 0.107E+00 0.215E-01 DAV: 2 -0.242928042165E+04 -0.14482E-02 -0.16895E-02 1932 0.143E-01 0.122E-01 DAV: 3 -0.242928035179E+04 0.69867E-04 -0.95721E-04 2220 0.309E-02 0.101E-01 DAV: 4 -0.242928030598E+04 0.45805E-04 -0.11785E-03 2328 0.265E-02 0.784E-02 DAV: 5 -0.242928026246E+04 0.43519E-04 -0.44801E-04 2085 0.232E-02 0.262E-02 DAV: 6 -0.242928025881E+04 0.36495E-05 -0.13544E-04 1995 0.111E-02 0.154E-02 DAV: 7 -0.242928025578E+04 0.30373E-05 -0.14397E-05 1095 0.544E-03 537 F= -.24292803E+04 E0= -.24293647E+04 d E =-.150444E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242927946131E+04 0.79750E-03 -0.11288E+00 1704 0.127E+00 0.242E-01 DAV: 2 -0.242928146501E+04 -0.20037E-02 -0.23113E-02 1905 0.166E-01 0.139E-01 DAV: 3 -0.242928133825E+04 0.12676E-03 -0.71397E-04 2112 0.305E-02 0.971E-02 DAV: 4 -0.242928137916E+04 -0.40914E-04 -0.15306E-03 2364 0.322E-02 0.105E-01 DAV: 5 -0.242928126793E+04 0.11123E-03 -0.75432E-04 2274 0.260E-02 0.278E-02 DAV: 6 -0.242928127144E+04 -0.35056E-05 -0.14222E-04 1959 0.113E-02 0.185E-02 DAV: 7 -0.242928126785E+04 0.35853E-05 -0.20923E-05 1158 0.600E-03 538 F= -.24292813E+04 E0= -.24293659E+04 d E =-.101208E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242927949138E+04 0.17801E-02 -0.13523E+00 1704 0.139E+00 0.266E-01 DAV: 2 -0.242928189586E+04 -0.24045E-02 -0.27722E-02 1905 0.182E-01 0.152E-01 DAV: 3 -0.242928174400E+04 0.15186E-03 -0.83241E-04 2112 0.333E-02 0.105E-01 DAV: 4 -0.242928179788E+04 -0.53877E-04 -0.18533E-03 2364 0.355E-02 0.115E-01 DAV: 5 -0.242928166267E+04 0.13521E-03 -0.91086E-04 2283 0.286E-02 0.305E-02 DAV: 6 -0.242928166715E+04 -0.44799E-05 -0.16378E-04 1995 0.123E-02 0.204E-02 DAV: 7 -0.242928166283E+04 0.43201E-05 -0.25104E-05 1221 0.652E-03 539 F= -.24292817E+04 E0= -.24293664E+04 d E =-.140705E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242928079242E+04 0.87473E-03 -0.13072E+00 1704 0.137E+00 0.264E-01 DAV: 2 -0.242928312631E+04 -0.23339E-02 -0.27056E-02 1923 0.180E-01 0.148E-01 DAV: 3 -0.242928296685E+04 0.15946E-03 -0.70039E-04 2112 0.326E-02 0.968E-02 DAV: 4 -0.242928304309E+04 -0.76242E-04 -0.16017E-03 2346 0.376E-02 0.118E-01 DAV: 5 -0.242928289532E+04 0.14777E-03 -0.12559E-03 2292 0.296E-02 0.334E-02 DAV: 6 -0.242928289971E+04 -0.43937E-05 -0.16546E-04 1995 0.125E-02 0.212E-02 DAV: 7 -0.242928289577E+04 0.39434E-05 -0.26304E-05 1257 0.643E-03 540 F= -.24292829E+04 E0= -.24293674E+04 d E =-.123294E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242928196386E+04 0.93585E-03 -0.75394E-01 1704 0.104E+00 0.202E-01 DAV: 2 -0.242928331837E+04 -0.13545E-02 -0.15678E-02 1923 0.137E-01 0.112E-01 DAV: 3 -0.242928322480E+04 0.93574E-04 -0.37714E-04 2094 0.245E-02 0.717E-02 DAV: 4 -0.242928326544E+04 -0.40640E-04 -0.90423E-04 2310 0.292E-02 0.824E-02 DAV: 5 -0.242928318797E+04 0.77464E-04 -0.67845E-04 2310 0.220E-02 0.262E-02 DAV: 6 -0.242928318843E+04 -0.45428E-06 -0.88180E-05 1851 0.918E-03 541 F= -.24292832E+04 E0= -.24293676E+04 d E =-.152560E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242928217626E+04 0.10117E-02 -0.13653E+00 1704 0.140E+00 0.268E-01 DAV: 2 -0.242928462356E+04 -0.24473E-02 -0.28340E-02 1914 0.184E-01 0.150E-01 DAV: 3 -0.242928446778E+04 0.15577E-03 -0.74911E-04 2085 0.325E-02 0.980E-02 DAV: 4 -0.242928451796E+04 -0.50172E-04 -0.13671E-03 2247 0.357E-02 0.100E-01 DAV: 5 -0.242928440864E+04 0.10931E-03 -0.93618E-04 2274 0.282E-02 0.386E-02 DAV: 6 -0.242928440195E+04 0.66962E-05 -0.19023E-04 1977 0.126E-02 0.207E-02 DAV: 7 -0.242928439820E+04 0.37483E-05 -0.29429E-05 1293 0.691E-03 542 F= -.24292844E+04 E0= -.24293688E+04 d E =-.120977E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242928324053E+04 0.11614E-02 -0.90869E-01 1704 0.114E+00 0.218E-01 DAV: 2 -0.242928487772E+04 -0.16372E-02 -0.18866E-02 1923 0.150E-01 0.123E-01 DAV: 3 -0.242928477184E+04 0.10588E-03 -0.47866E-04 2085 0.263E-02 0.801E-02 DAV: 4 -0.242928481082E+04 -0.38977E-04 -0.94364E-04 2292 0.294E-02 0.851E-02 DAV: 5 -0.242928472993E+04 0.80888E-04 -0.64007E-04 2301 0.231E-02 0.300E-02 DAV: 6 -0.242928472702E+04 0.29124E-05 -0.12096E-04 1878 0.102E-02 0.166E-02 DAV: 7 -0.242928472444E+04 0.25775E-05 -0.19292E-05 1149 0.574E-03 543 F= -.24292847E+04 E0= -.24293691E+04 d E =-.153601E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242928304964E+04 0.16774E-02 -0.18388E+00 1704 0.162E+00 0.310E-01 DAV: 2 -0.242928635941E+04 -0.33098E-02 -0.38209E-02 1914 0.213E-01 0.176E-01 DAV: 3 -0.242928617340E+04 0.18601E-03 -0.14772E-03 2094 0.423E-02 0.127E-01 DAV: 4 -0.242928616174E+04 0.11658E-04 -0.21996E-03 2310 0.405E-02 0.117E-01 DAV: 5 -0.242928603607E+04 0.12568E-03 -0.11966E-03 2193 0.345E-02 0.453E-02 DAV: 6 -0.242928602672E+04 0.93531E-05 -0.31054E-04 2013 0.160E-02 0.243E-02 DAV: 7 -0.242928602098E+04 0.57326E-05 -0.41277E-05 1590 0.823E-03 544 F= -.24292860E+04 E0= -.24293707E+04 d E =-.129654E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242928554624E+04 0.48047E-03 -0.36478E-01 1704 0.722E-01 0.140E-01 DAV: 2 -0.242928621891E+04 -0.67266E-03 -0.76902E-03 1914 0.954E-02 0.783E-02 DAV: 3 -0.242928618280E+04 0.36113E-04 -0.27475E-04 2094 0.188E-02 0.556E-02 DAV: 4 -0.242928618461E+04 -0.18126E-05 -0.43468E-04 2220 0.182E-02 0.524E-02 DAV: 5 -0.242928615888E+04 0.25727E-04 -0.25104E-04 2121 0.155E-02 0.214E-02 DAV: 6 -0.242928615614E+04 0.27393E-05 -0.60514E-05 1419 0.719E-03 545 F= -.24292862E+04 E0= -.24293709E+04 d E =-.143170E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242928433159E+04 0.18273E-02 -0.19688E+00 1704 0.168E+00 0.316E-01 DAV: 2 -0.242928785173E+04 -0.35201E-02 -0.40807E-02 1914 0.219E-01 0.182E-01 DAV: 3 -0.242928764866E+04 0.20308E-03 -0.17351E-03 2094 0.427E-02 0.125E-01 DAV: 4 -0.242928760285E+04 0.45806E-04 -0.20570E-03 2112 0.389E-02 0.954E-02 DAV: 5 -0.242928750318E+04 0.99669E-04 -0.10256E-03 2049 0.313E-02 0.239E-02 DAV: 6 -0.242928750621E+04 -0.30274E-05 -0.12349E-04 1932 0.132E-02 0.218E-02 DAV: 7 -0.242928750292E+04 0.32916E-05 -0.31900E-05 1239 0.639E-03 546 F= -.24292875E+04 E0= -.24293722E+04 d E =-.134677E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242928701753E+04 0.48868E-03 -0.43497E-01 1704 0.788E-01 0.150E-01 DAV: 2 -0.242928781215E+04 -0.79462E-03 -0.91064E-03 1932 0.104E-01 0.858E-02 DAV: 3 -0.242928777257E+04 0.39585E-04 -0.39840E-04 2130 0.207E-02 0.616E-02 DAV: 4 -0.242928776435E+04 0.82159E-05 -0.49178E-04 2265 0.189E-02 0.530E-02 DAV: 5 -0.242928774766E+04 0.16691E-04 -0.29228E-04 2166 0.163E-02 0.264E-02 DAV: 6 -0.242928774080E+04 0.68564E-05 -0.75655E-05 1536 0.792E-03 547 F= -.24292877E+04 E0= -.24293723E+04 d E =-.158466E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242928660051E+04 0.11471E-02 -0.15249E+00 1704 0.148E+00 0.292E-01 DAV: 2 -0.242928936917E+04 -0.27687E-02 -0.32044E-02 1932 0.196E-01 0.156E-01 DAV: 3 -0.242928916712E+04 0.20205E-03 -0.55502E-04 2085 0.322E-02 0.958E-02 DAV: 4 -0.242928916956E+04 -0.24366E-05 -0.97269E-04 2121 0.393E-02 0.741E-02 DAV: 5 -0.242928911045E+04 0.59107E-04 -0.55562E-04 2229 0.220E-02 0.300E-02 DAV: 6 -0.242928910685E+04 0.36003E-05 -0.53743E-05 1635 0.911E-03 548 F= -.24292891E+04 E0= -.24293737E+04 d E =-.136605E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242928876481E+04 0.34564E-03 -0.27600E-01 1704 0.630E-01 0.128E-01 DAV: 2 -0.242928928456E+04 -0.51975E-03 -0.59584E-03 1932 0.843E-02 0.667E-02 DAV: 3 -0.242928925092E+04 0.33642E-04 -0.13101E-04 2085 0.149E-02 0.423E-02 DAV: 4 -0.242928926006E+04 -0.91462E-05 -0.29548E-04 2211 0.175E-02 0.409E-02 DAV: 5 -0.242928924005E+04 0.20010E-04 -0.18742E-04 2049 0.123E-02 0.148E-02 DAV: 6 -0.242928923994E+04 0.10914E-06 -0.23157E-05 1131 0.493E-03 549 F= -.24292892E+04 E0= -.24293738E+04 d E =-.149914E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242928839635E+04 0.84371E-03 -0.11527E+00 1704 0.128E+00 0.244E-01 DAV: 2 -0.242929049084E+04 -0.20945E-02 -0.24150E-02 1905 0.169E-01 0.138E-01 DAV: 3 -0.242929037399E+04 0.11685E-03 -0.95940E-04 2130 0.324E-02 0.975E-02 DAV: 4 -0.242929036258E+04 0.11414E-04 -0.13361E-03 2328 0.311E-02 0.863E-02 DAV: 5 -0.242929030978E+04 0.52801E-04 -0.72967E-04 2202 0.265E-02 0.393E-02 DAV: 6 -0.242929029718E+04 0.12594E-04 -0.18165E-04 2031 0.125E-02 0.188E-02 DAV: 7 -0.242929029417E+04 0.30110E-05 -0.22971E-05 1194 0.618E-03 550 F= -.24292903E+04 E0= -.24293749E+04 d E =-.105423E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242928829541E+04 0.20018E-02 -0.14617E+00 1704 0.145E+00 0.275E-01 DAV: 2 -0.242929096648E+04 -0.26711E-02 -0.30678E-02 1914 0.190E-01 0.155E-01 DAV: 3 -0.242929081545E+04 0.15103E-03 -0.11802E-03 2139 0.360E-02 0.108E-01 DAV: 4 -0.242929080115E+04 0.14298E-04 -0.16488E-03 2319 0.349E-02 0.939E-02 DAV: 5 -0.242929073188E+04 0.69271E-04 -0.87256E-04 2193 0.291E-02 0.412E-02 DAV: 6 -0.242929071995E+04 0.11931E-04 -0.20084E-04 2022 0.134E-02 0.213E-02 DAV: 7 -0.242929071581E+04 0.41380E-05 -0.28580E-05 1329 0.696E-03 551 F= -.24292907E+04 E0= -.24293754E+04 d E =-.147587E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242928945394E+04 0.12660E-02 -0.16117E+00 1704 0.152E+00 0.289E-01 DAV: 2 -0.242929239971E+04 -0.29458E-02 -0.33879E-02 1923 0.200E-01 0.159E-01 DAV: 3 -0.242929221044E+04 0.18927E-03 -0.82153E-04 2094 0.345E-02 0.103E-01 DAV: 4 -0.242929224949E+04 -0.39043E-04 -0.17078E-03 2238 0.388E-02 0.941E-02 DAV: 5 -0.242929214055E+04 0.10894E-03 -0.98023E-04 2256 0.281E-02 0.321E-02 DAV: 6 -0.242929214108E+04 -0.52777E-06 -0.12100E-04 1995 0.113E-02 0.227E-02 DAV: 7 -0.242929213628E+04 0.47960E-05 -0.29215E-05 1257 0.645E-03 552 F= -.24292921E+04 E0= -.24293767E+04 d E =-.142047E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242929087260E+04 0.12685E-02 -0.96217E-01 1704 0.117E+00 0.224E-01 DAV: 2 -0.242929264253E+04 -0.17699E-02 -0.20298E-02 1914 0.155E-01 0.123E-01 DAV: 3 -0.242929252949E+04 0.11304E-03 -0.47773E-04 2094 0.268E-02 0.789E-02 DAV: 4 -0.242929255071E+04 -0.21221E-04 -0.97615E-04 2130 0.296E-02 0.649E-02 DAV: 5 -0.242929248675E+04 0.63966E-04 -0.53265E-04 2094 0.208E-02 0.191E-02 DAV: 6 -0.242929248709E+04 -0.34949E-06 -0.47183E-05 1797 0.799E-03 553 F= -.24292925E+04 E0= -.24293770E+04 d E =-.177128E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242929083244E+04 0.16543E-02 -0.18724E+00 1704 0.163E+00 0.308E-01 DAV: 2 -0.242929424420E+04 -0.34118E-02 -0.39165E-02 1905 0.215E-01 0.170E-01 DAV: 3 -0.242929403046E+04 0.21374E-03 -0.80588E-04 2085 0.351E-02 0.107E-01 DAV: 4 -0.242929408029E+04 -0.49828E-04 -0.17203E-03 2103 0.419E-02 0.911E-02 DAV: 5 -0.242929395800E+04 0.12229E-03 -0.10690E-03 2094 0.271E-02 0.286E-02 DAV: 6 -0.242929395721E+04 0.78998E-06 -0.77614E-05 1923 0.105E-02 554 F= -.24292940E+04 E0= -.24293783E+04 d E =-.147011E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242929217087E+04 0.17871E-02 -0.12685E+00 1704 0.134E+00 0.257E-01 DAV: 2 -0.242929450789E+04 -0.23370E-02 -0.26747E-02 1905 0.178E-01 0.141E-01 DAV: 3 -0.242929438420E+04 0.12368E-03 -0.69427E-04 2085 0.310E-02 0.974E-02 DAV: 4 -0.242929444921E+04 -0.65008E-04 -0.16226E-03 2409 0.335E-02 0.113E-01 DAV: 5 -0.242929431219E+04 0.13702E-03 -0.80895E-04 2283 0.275E-02 0.255E-02 DAV: 6 -0.242929432146E+04 -0.92659E-05 -0.12602E-04 1950 0.115E-02 0.197E-02 DAV: 7 -0.242929431814E+04 0.33253E-05 -0.23502E-05 1185 0.584E-03 555 F= -.24292943E+04 E0= -.24293785E+04 d E =-.183104E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242929229414E+04 0.20273E-02 -0.21072E+00 1704 0.173E+00 0.323E-01 DAV: 2 -0.242929615879E+04 -0.38646E-02 -0.44099E-02 1914 0.228E-01 0.180E-01 DAV: 3 -0.242929592715E+04 0.23164E-03 -0.94217E-04 2076 0.375E-02 0.118E-01 DAV: 4 -0.242929604278E+04 -0.11564E-03 -0.23951E-03 2355 0.440E-02 0.138E-01 DAV: 5 -0.242929582319E+04 0.21960E-03 -0.13366E-03 2328 0.331E-02 0.344E-02 DAV: 6 -0.242929583468E+04 -0.11493E-04 -0.17905E-04 1986 0.133E-02 0.247E-02 DAV: 7 -0.242929582949E+04 0.51920E-05 -0.38956E-05 1509 0.742E-03 556 F= -.24292958E+04 E0= -.24293802E+04 d E =-.151135E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242929326795E+04 0.25667E-02 -0.17932E+00 1704 0.160E+00 0.299E-01 DAV: 2 -0.242929657277E+04 -0.33048E-02 -0.37643E-02 1914 0.211E-01 0.166E-01 DAV: 3 -0.242929637671E+04 0.19606E-03 -0.78276E-04 2076 0.345E-02 0.109E-01 DAV: 4 -0.242929648146E+04 -0.10475E-03 -0.20556E-03 2346 0.411E-02 0.129E-01 DAV: 5 -0.242929629030E+04 0.19116E-03 -0.11455E-03 2328 0.304E-02 0.314E-02 DAV: 6 -0.242929630101E+04 -0.10708E-04 -0.14457E-04 1986 0.122E-02 0.229E-02 DAV: 7 -0.242929629666E+04 0.43512E-05 -0.32923E-05 1347 0.684E-03 557 F= -.24292963E+04 E0= -.24293808E+04 d E =-.197852E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242929306250E+04 0.32385E-02 -0.29747E+00 1704 0.206E+00 0.387E-01 DAV: 2 -0.242929858465E+04 -0.55222E-02 -0.62891E-02 1905 0.272E-01 0.217E-01 DAV: 3 -0.242929829825E+04 0.28640E-03 -0.21792E-03 2121 0.511E-02 0.158E-01 DAV: 4 -0.242929831584E+04 -0.17589E-04 -0.34322E-03 2328 0.491E-02 0.154E-01 DAV: 5 -0.242929809371E+04 0.22213E-03 -0.17203E-03 2202 0.438E-02 0.478E-02 DAV: 6 -0.242929808911E+04 0.46063E-05 -0.46871E-04 1995 0.205E-02 0.287E-02 DAV: 7 -0.242929808144E+04 0.76710E-05 -0.55374E-05 1788 0.955E-03 558 F= -.24292981E+04 E0= -.24293825E+04 d E =-.178478E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242929681069E+04 0.12784E-02 -0.87771E-01 1704 0.112E+00 0.213E-01 DAV: 2 -0.242929846692E+04 -0.16562E-02 -0.18740E-02 1905 0.148E-01 0.118E-01 DAV: 3 -0.242929838967E+04 0.77246E-04 -0.66382E-04 2103 0.281E-02 0.857E-02 DAV: 4 -0.242929839204E+04 -0.23730E-05 -0.98201E-04 2328 0.269E-02 0.820E-02 DAV: 5 -0.242929833288E+04 0.59164E-04 -0.54178E-04 2193 0.241E-02 0.295E-02 DAV: 6 -0.242929832867E+04 0.42142E-05 -0.14798E-04 1941 0.113E-02 0.162E-02 DAV: 7 -0.242929832622E+04 0.24432E-05 -0.16430E-05 1104 0.541E-03 559 F= -.24292983E+04 E0= -.24293827E+04 d E =-.202957E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242929461993E+04 0.37087E-02 -0.32701E+00 1704 0.216E+00 0.402E-01 DAV: 2 -0.242930065382E+04 -0.60339E-02 -0.68953E-02 1896 0.284E-01 0.231E-01 DAV: 3 -0.242930038450E+04 0.26932E-03 -0.35410E-03 2121 0.580E-02 0.175E-01 DAV: 4 -0.242930025502E+04 0.12947E-03 -0.35190E-03 2292 0.499E-02 0.144E-01 DAV: 5 -0.242930014178E+04 0.11324E-03 -0.20014E-03 2175 0.471E-02 0.755E-02 DAV: 6 -0.242930008236E+04 0.59413E-04 -0.83055E-04 2040 0.250E-02 0.296E-02 DAV: 7 -0.242930007869E+04 0.36780E-05 -0.83101E-05 1905 0.109E-02 560 F= -.24293001E+04 E0= -.24293844E+04 d E =-.175246E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242929800525E+04 0.20771E-02 -0.14006E+00 1704 0.141E+00 0.266E-01 DAV: 2 -0.242930063294E+04 -0.26277E-02 -0.29823E-02 1914 0.187E-01 0.151E-01 DAV: 3 -0.242930052774E+04 0.10520E-03 -0.15044E-03 2112 0.382E-02 0.115E-01 DAV: 4 -0.242930047348E+04 0.54256E-04 -0.15115E-03 2283 0.329E-02 0.937E-02 DAV: 5 -0.242930043001E+04 0.43469E-04 -0.88866E-04 2184 0.310E-02 0.518E-02 DAV: 6 -0.242930040178E+04 0.28231E-04 -0.35451E-04 2058 0.163E-02 0.200E-02 DAV: 7 -0.242930040011E+04 0.16689E-05 -0.35435E-05 1518 0.727E-03 561 F= -.24293004E+04 E0= -.24293846E+04 d E =-.207389E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242929605281E+04 0.43490E-02 -0.37138E+00 1704 0.230E+00 0.430E-01 DAV: 2 -0.242930292195E+04 -0.68691E-02 -0.78051E-02 1887 0.302E-01 0.241E-01 DAV: 3 -0.242930257218E+04 0.34977E-03 -0.26683E-03 2076 0.554E-02 0.170E-01 DAV: 4 -0.242930261828E+04 -0.46103E-04 -0.42496E-03 2301 0.550E-02 0.166E-01 DAV: 5 -0.242930234070E+04 0.27758E-03 -0.22429E-03 2211 0.487E-02 0.564E-02 DAV: 6 -0.242930233778E+04 0.29172E-05 -0.49991E-04 1995 0.213E-02 0.342E-02 DAV: 7 -0.242930232675E+04 0.11029E-04 -0.67067E-05 1833 0.102E-02 0.215E-02 DAV: 8 -0.242930232280E+04 0.39463E-05 -0.29931E-05 1392 0.712E-03 562 F= -.24293023E+04 E0= -.24293867E+04 d E =-.192269E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242929928258E+04 0.30442E-02 -0.19896E+00 1704 0.168E+00 0.315E-01 DAV: 2 -0.242930296182E+04 -0.36792E-02 -0.41774E-02 1887 0.221E-01 0.176E-01 DAV: 3 -0.242930276972E+04 0.19210E-03 -0.13431E-03 2076 0.399E-02 0.123E-01 DAV: 4 -0.242930281088E+04 -0.41158E-04 -0.22541E-03 2301 0.404E-02 0.125E-01 DAV: 5 -0.242930264855E+04 0.16233E-03 -0.12335E-03 2220 0.355E-02 0.400E-02 DAV: 6 -0.242930264880E+04 -0.25136E-06 -0.26634E-04 2004 0.156E-02 0.246E-02 DAV: 7 -0.242930264302E+04 0.57783E-05 -0.35775E-05 1392 0.747E-03 563 F= -.24293026E+04 E0= -.24293871E+04 d E =-.224291E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242929914099E+04 0.35078E-02 -0.30660E+00 1704 0.209E+00 0.385E-01 DAV: 2 -0.242930481007E+04 -0.56691E-02 -0.64044E-02 1878 0.274E-01 0.214E-01 DAV: 3 -0.242930447070E+04 0.33937E-03 -0.11004E-03 2085 0.432E-02 0.135E-01 DAV: 4 -0.242930451227E+04 -0.41570E-04 -0.23286E-03 2076 0.518E-02 0.976E-02 DAV: 5 -0.242930437301E+04 0.13926E-03 -0.13099E-03 2085 0.312E-02 0.378E-02 DAV: 6 -0.242930436660E+04 0.64084E-05 -0.12239E-04 1950 0.120E-02 0.275E-02 DAV: 7 -0.242930436141E+04 0.51910E-05 -0.50897E-05 1518 0.845E-03 564 F= -.24293044E+04 E0= -.24293888E+04 d E =-.171839E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242929595681E+04 0.84098E-02 -0.54057E+00 1704 0.277E+00 0.512E-01 DAV: 2 -0.242930593805E+04 -0.99812E-02 -0.11281E-01 1878 0.363E-01 0.285E-01 DAV: 3 -0.242930534147E+04 0.59658E-03 -0.20875E-03 2085 0.577E-02 0.180E-01 DAV: 4 -0.242930555104E+04 -0.20957E-03 -0.58337E-03 2121 0.714E-02 0.170E-01 DAV: 5 -0.242930515924E+04 0.39180E-03 -0.39707E-03 2166 0.494E-02 0.592E-02 DAV: 6 -0.242930515166E+04 0.75865E-05 -0.32663E-04 1986 0.187E-02 0.401E-02 DAV: 7 -0.242930513828E+04 0.13374E-04 -0.87095E-05 1878 0.112E-02 0.251E-02 DAV: 8 -0.242930513350E+04 0.47873E-05 -0.45163E-05 1518 0.819E-03 565 F= -.24293051E+04 E0= -.24293896E+04 d E =-.249047E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242930023149E+04 0.49068E-02 -0.42382E+00 1704 0.246E+00 0.452E-01 DAV: 2 -0.242930803101E+04 -0.77995E-02 -0.88446E-02 1869 0.321E-01 0.253E-01 DAV: 3 -0.242930757069E+04 0.46032E-03 -0.20033E-03 2094 0.529E-02 0.163E-01 DAV: 4 -0.242930771463E+04 -0.14394E-03 -0.47649E-03 2175 0.603E-02 0.142E-01 DAV: 5 -0.242930739563E+04 0.31901E-03 -0.24900E-03 2094 0.446E-02 0.512E-02 DAV: 6 -0.242930739063E+04 0.49910E-05 -0.35243E-04 2004 0.183E-02 0.356E-02 DAV: 7 -0.242930737971E+04 0.10925E-04 -0.58592E-05 1752 0.968E-03 0.219E-02 DAV: 8 -0.242930737561E+04 0.40970E-05 -0.29999E-05 1356 0.731E-03 566 F= -.24293074E+04 E0= -.24293917E+04 d E =-.224212E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242930289981E+04 0.44799E-02 -0.30060E+00 1710 0.207E+00 0.380E-01 DAV: 2 -0.242930843061E+04 -0.55308E-02 -0.62671E-02 1869 0.271E-01 0.213E-01 DAV: 3 -0.242930809932E+04 0.33129E-03 -0.13004E-03 2088 0.441E-02 0.137E-01 DAV: 4 -0.242930823004E+04 -0.13071E-03 -0.33530E-03 2193 0.522E-02 0.130E-01 DAV: 5 -0.242930798403E+04 0.24600E-03 -0.19537E-03 2184 0.387E-02 0.505E-02 DAV: 6 -0.242930797426E+04 0.97740E-05 -0.29313E-04 2049 0.160E-02 0.300E-02 DAV: 7 -0.242930796689E+04 0.73672E-05 -0.44495E-05 1617 0.858E-03 567 F= -.24293080E+04 E0= -.24293921E+04 d E =-.283339E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242930392207E+04 0.40522E-02 -0.36680E+00 1704 0.228E+00 0.426E-01 DAV: 2 -0.242931068313E+04 -0.67611E-02 -0.77256E-02 1905 0.300E-01 0.244E-01 DAV: 3 -0.242931036367E+04 0.31946E-03 -0.32264E-03 2166 0.581E-02 0.184E-01 DAV: 4 -0.242931029782E+04 0.65850E-04 -0.44481E-03 2346 0.532E-02 0.161E-01 DAV: 5 -0.242931012371E+04 0.17410E-03 -0.20530E-03 2166 0.478E-02 0.654E-02 DAV: 6 -0.242931008730E+04 0.36412E-04 -0.71980E-04 2058 0.234E-02 0.323E-02 DAV: 7 -0.242931007762E+04 0.96845E-05 -0.68602E-05 1824 0.104E-02 568 F= -.24293101E+04 E0= -.24293943E+04 d E =-.211073E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242930825026E+04 0.18370E-02 -0.12662E+00 1704 0.134E+00 0.252E-01 DAV: 2 -0.242931061472E+04 -0.23645E-02 -0.26832E-02 1905 0.177E-01 0.142E-01 DAV: 3 -0.242931050424E+04 0.11048E-03 -0.10384E-03 2142 0.333E-02 0.105E-01 DAV: 4 -0.242931049794E+04 0.63034E-05 -0.14934E-03 2337 0.318E-02 0.970E-02 DAV: 5 -0.242931043069E+04 0.67249E-04 -0.75022E-04 2202 0.280E-02 0.387E-02 DAV: 6 -0.242931041945E+04 0.11238E-04 -0.23608E-04 2031 0.134E-02 0.193E-02 DAV: 7 -0.242931041578E+04 0.36678E-05 -0.22625E-05 1257 0.624E-03 569 F= -.24293104E+04 E0= -.24293947E+04 d E =-.244889E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242930737470E+04 0.30448E-02 -0.28536E+00 1704 0.201E+00 0.376E-01 DAV: 2 -0.242931262731E+04 -0.52526E-02 -0.59702E-02 1914 0.264E-01 0.208E-01 DAV: 3 -0.242931228985E+04 0.33747E-03 -0.10905E-03 2085 0.430E-02 0.133E-01 DAV: 4 -0.242931245716E+04 -0.16731E-03 -0.30887E-03 2256 0.539E-02 0.159E-01 DAV: 5 -0.242931215680E+04 0.30037E-03 -0.15968E-03 2310 0.362E-02 0.375E-02 DAV: 6 -0.242931217566E+04 -0.18863E-04 -0.16788E-04 1986 0.141E-02 0.271E-02 DAV: 7 -0.242931217129E+04 0.43677E-05 -0.62185E-05 1734 0.869E-03 570 F= -.24293122E+04 E0= -.24293965E+04 d E =-.175551E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242931106850E+04 0.11072E-02 -0.79492E-01 1716 0.106E+00 0.201E-01 DAV: 2 -0.242931255222E+04 -0.14837E-02 -0.16766E-02 1914 0.140E-01 0.110E-01 DAV: 3 -0.242931246098E+04 0.91240E-04 -0.30986E-04 2085 0.228E-02 0.691E-02 DAV: 4 -0.242931248555E+04 -0.24564E-04 -0.75303E-04 2157 0.282E-02 0.646E-02 DAV: 5 -0.242931243252E+04 0.53033E-04 -0.45182E-04 2229 0.179E-02 0.212E-02 DAV: 6 -0.242931243315E+04 -0.63218E-06 -0.41426E-05 1464 0.695E-03 571 F= -.24293124E+04 E0= -.24293967E+04 d E =-.201736E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242930900651E+04 0.34260E-02 -0.30898E+00 1704 0.209E+00 0.396E-01 DAV: 2 -0.242931468888E+04 -0.56824E-02 -0.64950E-02 1914 0.276E-01 0.218E-01 DAV: 3 -0.242931435869E+04 0.33019E-03 -0.17407E-03 2094 0.486E-02 0.144E-01 DAV: 4 -0.242931447222E+04 -0.11353E-03 -0.31394E-03 2319 0.549E-02 0.159E-01 DAV: 5 -0.242931422655E+04 0.24567E-03 -0.27132E-03 2283 0.450E-02 0.663E-02 DAV: 6 -0.242931420327E+04 0.23274E-04 -0.49010E-04 2013 0.200E-02 0.326E-02 DAV: 7 -0.242931419588E+04 0.73889E-05 -0.68741E-05 1869 0.101E-02 572 F= -.24293142E+04 E0= -.24293983E+04 d E =-.176274E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242931358867E+04 0.61460E-03 -0.42093E-01 1716 0.774E-01 0.150E-01 DAV: 2 -0.242931438986E+04 -0.80119E-03 -0.90391E-03 1905 0.103E-01 0.804E-02 DAV: 3 -0.242931435173E+04 0.38128E-04 -0.25075E-04 2103 0.183E-02 0.543E-02 DAV: 4 -0.242931436804E+04 -0.16304E-04 -0.46556E-04 2274 0.202E-02 0.592E-02 DAV: 5 -0.242931433458E+04 0.33452E-04 -0.33506E-04 2247 0.169E-02 0.234E-02 DAV: 6 -0.242931433164E+04 0.29467E-05 -0.62241E-05 1536 0.742E-03 573 F= -.24293143E+04 E0= -.24293984E+04 d E =-.189849E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242931070665E+04 0.36279E-02 -0.32013E+00 1704 0.213E+00 0.398E-01 DAV: 2 -0.242931657306E+04 -0.58664E-02 -0.66815E-02 1923 0.280E-01 0.221E-01 DAV: 3 -0.242931622933E+04 0.34373E-03 -0.14621E-03 2103 0.468E-02 0.146E-01 DAV: 4 -0.242931640619E+04 -0.17687E-03 -0.34845E-03 2301 0.534E-02 0.173E-01 DAV: 5 -0.242931606677E+04 0.33942E-03 -0.18783E-03 2301 0.419E-02 0.436E-02 DAV: 6 -0.242931608308E+04 -0.16305E-04 -0.30951E-04 1995 0.173E-02 0.303E-02 DAV: 7 -0.242931607532E+04 0.77534E-05 -0.59296E-05 1824 0.905E-03 574 F= -.24293161E+04 E0= -.24294003E+04 d E =-.174368E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242931556647E+04 0.51660E-03 -0.38073E-01 1716 0.735E-01 0.140E-01 DAV: 2 -0.242931628870E+04 -0.72223E-03 -0.81222E-03 1923 0.974E-02 0.762E-02 DAV: 3 -0.242931625180E+04 0.36899E-04 -0.18121E-04 2076 0.161E-02 0.499E-02 DAV: 4 -0.242931627099E+04 -0.19190E-04 -0.41549E-04 2256 0.189E-02 0.559E-02 DAV: 5 -0.242931623708E+04 0.33911E-04 -0.25096E-04 2274 0.142E-02 0.172E-02 DAV: 6 -0.242931623759E+04 -0.50408E-06 -0.35957E-05 1311 0.586E-03 575 F= -.24293162E+04 E0= -.24294005E+04 d E =-.190595E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242931305673E+04 0.31804E-02 -0.28829E+00 1704 0.203E+00 0.390E-01 DAV: 2 -0.242931836739E+04 -0.53107E-02 -0.61008E-02 1932 0.268E-01 0.213E-01 DAV: 3 -0.242931806771E+04 0.29968E-03 -0.22022E-03 2103 0.509E-02 0.151E-01 DAV: 4 -0.242931810272E+04 -0.35006E-04 -0.36487E-03 2301 0.496E-02 0.152E-01 DAV: 5 -0.242931786830E+04 0.23442E-03 -0.19776E-03 2211 0.444E-02 0.527E-02 DAV: 6 -0.242931786534E+04 0.29668E-05 -0.49997E-04 2013 0.204E-02 0.311E-02 DAV: 7 -0.242931785662E+04 0.87182E-05 -0.65521E-05 1788 0.973E-03 576 F= -.24293179E+04 E0= -.24294021E+04 d E =-.161903E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242931774542E+04 0.11991E-03 -0.76590E-02 1716 0.330E-01 0.681E-02 DAV: 2 -0.242931789974E+04 -0.15432E-03 -0.17248E-03 1932 0.449E-02 0.353E-02 DAV: 3 -0.242931789417E+04 0.55666E-05 -0.75716E-05 1680 0.900E-03 577 F= -.24293179E+04 E0= -.24294021E+04 d E =-.165658E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242931478297E+04 0.31168E-02 -0.29411E+00 1704 0.204E+00 0.390E-01 DAV: 2 -0.242932010261E+04 -0.53196E-02 -0.61808E-02 1914 0.269E-01 0.225E-01 DAV: 3 -0.242931979154E+04 0.31108E-03 -0.37505E-03 2094 0.556E-02 0.157E-01 DAV: 4 -0.242931966871E+04 0.12282E-03 -0.37742E-03 2094 0.480E-02 0.115E-01 DAV: 5 -0.242931955719E+04 0.11153E-03 -0.20205E-03 2049 0.409E-02 0.386E-02 DAV: 6 -0.242931955569E+04 0.14985E-05 -0.30368E-04 1950 0.180E-02 0.308E-02 DAV: 7 -0.242931954614E+04 0.95455E-05 -0.48499E-05 1518 0.855E-03 578 F= -.24293195E+04 E0= -.24294037E+04 d E =-.165197E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242931886044E+04 0.69525E-03 -0.49534E-01 1704 0.840E-01 0.162E-01 DAV: 2 -0.242931981303E+04 -0.95259E-03 -0.10862E-02 1914 0.112E-01 0.931E-02 DAV: 3 -0.242931977284E+04 0.40184E-04 -0.85040E-04 2130 0.254E-02 0.700E-02 DAV: 4 -0.242931973453E+04 0.38314E-04 -0.59521E-04 2121 0.195E-02 0.464E-02 DAV: 5 -0.242931972702E+04 0.75143E-05 -0.23516E-04 2067 0.171E-02 0.224E-02 DAV: 6 -0.242931972341E+04 0.36077E-05 -0.63077E-05 1446 0.776E-03 579 F= -.24293197E+04 E0= -.24294039E+04 d E =-.182924E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242931714214E+04 0.25849E-02 -0.25472E+00 1704 0.190E+00 0.358E-01 DAV: 2 -0.242932183433E+04 -0.46922E-02 -0.53614E-02 1923 0.251E-01 0.200E-01 DAV: 3 -0.242932158084E+04 0.25349E-03 -0.17150E-03 2094 0.450E-02 0.139E-01 DAV: 4 -0.242932166993E+04 -0.89089E-04 -0.33003E-03 2355 0.465E-02 0.150E-01 DAV: 5 -0.242932142477E+04 0.24516E-03 -0.17604E-03 2265 0.411E-02 0.418E-02 DAV: 6 -0.242932143239E+04 -0.76206E-05 -0.34279E-04 1986 0.179E-02 0.284E-02 DAV: 7 -0.242932142469E+04 0.76991E-05 -0.53582E-05 1653 0.852E-03 580 F= -.24293214E+04 E0= -.24294057E+04 d E =-.170128E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242932109143E+04 0.34096E-03 -0.27843E-01 1704 0.629E-01 0.121E-01 DAV: 2 -0.242932162488E+04 -0.53345E-03 -0.60024E-03 1923 0.838E-02 0.662E-02 DAV: 3 -0.242932160044E+04 0.24449E-04 -0.19242E-04 2076 0.152E-02 0.450E-02 DAV: 4 -0.242932160933E+04 -0.88965E-05 -0.35542E-04 2040 0.154E-02 0.448E-02 DAV: 5 -0.242932158793E+04 0.21399E-04 -0.20333E-04 2049 0.136E-02 0.187E-02 DAV: 6 -0.242932158612E+04 0.18086E-05 -0.40974E-05 1248 0.611E-03 581 F= -.24293216E+04 E0= -.24294059E+04 d E =-.186272E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242932029081E+04 0.12971E-02 -0.16400E+00 1704 0.153E+00 0.293E-01 DAV: 2 -0.242932332903E+04 -0.30382E-02 -0.34902E-02 1923 0.203E-01 0.159E-01 DAV: 3 -0.242932311886E+04 0.21017E-03 -0.92473E-04 2085 0.348E-02 0.102E-01 DAV: 4 -0.242932315353E+04 -0.34669E-04 -0.20899E-03 2175 0.382E-02 0.862E-02 DAV: 5 -0.242932303112E+04 0.12241E-03 -0.10709E-03 2103 0.277E-02 0.257E-02 DAV: 6 -0.242932303393E+04 -0.28158E-05 -0.11432E-04 1959 0.115E-02 0.229E-02 DAV: 7 -0.242932302946E+04 0.44675E-05 -0.28129E-05 1140 0.613E-03 582 F= -.24293230E+04 E0= -.24294072E+04 d E =-.144334E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242932291543E+04 0.11851E-03 -0.11552E-01 1704 0.406E-01 0.803E-02 DAV: 2 -0.242932313985E+04 -0.22443E-03 -0.25269E-03 1923 0.545E-02 0.431E-02 DAV: 3 -0.242932312812E+04 0.11733E-04 -0.82808E-05 1833 0.104E-02 0.314E-02 DAV: 4 -0.242932312919E+04 -0.10740E-05 -0.13421E-04 1608 0.997E-03 0.316E-02 DAV: 5 -0.242932312053E+04 0.86673E-05 -0.72899E-05 1563 0.912E-03 583 F= -.24293231E+04 E0= -.24294072E+04 d E =-.153440E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242932229482E+04 0.83438E-03 -0.12510E+00 1704 0.133E+00 0.251E-01 DAV: 2 -0.242932459027E+04 -0.22954E-02 -0.26616E-02 1914 0.177E-01 0.145E-01 DAV: 3 -0.242932449954E+04 0.90722E-04 -0.18066E-03 2175 0.387E-02 0.120E-01 DAV: 4 -0.242932440433E+04 0.95213E-04 -0.15963E-03 2256 0.322E-02 0.887E-02 DAV: 5 -0.242932436810E+04 0.36232E-04 -0.81358E-04 2130 0.297E-02 0.469E-02 DAV: 6 -0.242932434380E+04 0.24300E-04 -0.31546E-04 2058 0.153E-02 0.192E-02 DAV: 7 -0.242932434167E+04 0.21279E-05 -0.31933E-05 1473 0.730E-03 584 F= -.24293243E+04 E0= -.24294083E+04 d E =-.122114E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242932391158E+04 0.43222E-03 -0.35265E-01 1704 0.708E-01 0.135E-01 DAV: 2 -0.242932457571E+04 -0.66412E-03 -0.75910E-03 1914 0.944E-02 0.768E-02 DAV: 3 -0.242932454983E+04 0.25879E-04 -0.46421E-04 2166 0.202E-02 0.623E-02 DAV: 4 -0.242932452757E+04 0.22259E-04 -0.45179E-04 2211 0.173E-02 0.480E-02 DAV: 5 -0.242932451568E+04 0.11887E-04 -0.21943E-04 2067 0.157E-02 0.241E-02 DAV: 6 -0.242932450946E+04 0.62239E-05 -0.80863E-05 1491 0.787E-03 585 F= -.24293245E+04 E0= -.24294085E+04 d E =-.138893E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242932406940E+04 0.44628E-03 -0.89902E-01 1704 0.113E+00 0.214E-01 DAV: 2 -0.242932577207E+04 -0.17027E-02 -0.19903E-02 1923 0.151E-01 0.131E-01 DAV: 3 -0.242932571888E+04 0.53190E-04 -0.23583E-03 2175 0.378E-02 0.113E-01 DAV: 4 -0.242932559505E+04 0.12383E-03 -0.13297E-03 2265 0.278E-02 0.691E-02 DAV: 5 -0.242932561020E+04 -0.15150E-04 -0.65785E-04 2121 0.259E-02 0.570E-02 DAV: 6 -0.242932556809E+04 0.42106E-04 -0.33174E-04 2139 0.151E-02 0.157E-02 DAV: 7 -0.242932556868E+04 -0.58400E-06 -0.26453E-05 1392 0.659E-03 586 F= -.24293256E+04 E0= -.24294095E+04 d E =-.105922E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242932403831E+04 0.15298E-02 -0.11663E+00 1704 0.129E+00 0.243E-01 DAV: 2 -0.242932625051E+04 -0.22122E-02 -0.25765E-02 1923 0.172E-01 0.149E-01 DAV: 3 -0.242932617968E+04 0.70838E-04 -0.30575E-03 2175 0.430E-02 0.129E-01 DAV: 4 -0.242932601687E+04 0.16280E-03 -0.17540E-03 2265 0.317E-02 0.786E-02 DAV: 5 -0.242932603363E+04 -0.16754E-04 -0.83547E-04 2121 0.292E-02 0.633E-02 DAV: 6 -0.242932598114E+04 0.52487E-04 -0.41227E-04 2130 0.169E-02 0.177E-02 DAV: 7 -0.242932598172E+04 -0.58391E-06 -0.35255E-05 1554 0.761E-03 587 F= -.24293260E+04 E0= -.24294099E+04 d E =-.147227E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242932516588E+04 0.81526E-03 -0.12250E+00 1704 0.132E+00 0.246E-01 DAV: 2 -0.242932745738E+04 -0.22915E-02 -0.26159E-02 1905 0.174E-01 0.138E-01 DAV: 3 -0.242932732785E+04 0.12953E-03 -0.12051E-03 2094 0.324E-02 0.964E-02 DAV: 4 -0.242932730993E+04 0.17926E-04 -0.16578E-03 2103 0.292E-02 0.765E-02 DAV: 5 -0.242932724515E+04 0.64778E-04 -0.73147E-04 2049 0.259E-02 0.309E-02 DAV: 6 -0.242932724111E+04 0.40403E-05 -0.13976E-04 2022 0.121E-02 0.204E-02 DAV: 7 -0.242932723719E+04 0.39203E-05 -0.22180E-05 1050 0.554E-03 588 F= -.24293272E+04 E0= -.24294111E+04 d E =-.125547E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242932551248E+04 0.17286E-02 -0.12882E+00 1704 0.135E+00 0.253E-01 DAV: 2 -0.242932792841E+04 -0.24159E-02 -0.27584E-02 1905 0.179E-01 0.142E-01 DAV: 3 -0.242932779246E+04 0.13594E-03 -0.13150E-03 2094 0.337E-02 0.995E-02 DAV: 4 -0.242932776761E+04 0.24853E-04 -0.17501E-03 2103 0.302E-02 0.776E-02 DAV: 5 -0.242932769761E+04 0.69996E-04 -0.74389E-04 2049 0.262E-02 0.239E-02 DAV: 6 -0.242932769876E+04 -0.11454E-05 -0.11289E-04 1977 0.116E-02 0.204E-02 DAV: 7 -0.242932769480E+04 0.39609E-05 -0.23769E-05 1068 0.546E-03 589 F= -.24293277E+04 E0= -.24294115E+04 d E =-.171307E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242932621132E+04 0.14874E-02 -0.17432E+00 1704 0.157E+00 0.297E-01 DAV: 2 -0.242932944344E+04 -0.32321E-02 -0.36884E-02 1905 0.208E-01 0.161E-01 DAV: 3 -0.242932924236E+04 0.20108E-03 -0.10844E-03 2094 0.363E-02 0.109E-01 DAV: 4 -0.242932929339E+04 -0.51028E-04 -0.20750E-03 2292 0.378E-02 0.117E-01 DAV: 5 -0.242932914814E+04 0.14525E-03 -0.13622E-03 2238 0.332E-02 0.443E-02 DAV: 6 -0.242932913999E+04 0.81506E-05 -0.27915E-04 2004 0.156E-02 0.225E-02 DAV: 7 -0.242932913608E+04 0.39140E-05 -0.35955E-05 1437 0.741E-03 590 F= -.24293291E+04 E0= -.24294130E+04 d E =-.144128E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242932801854E+04 0.11215E-02 -0.83348E-01 1704 0.109E+00 0.208E-01 DAV: 2 -0.242932957872E+04 -0.15602E-02 -0.17742E-02 1905 0.144E-01 0.111E-01 DAV: 3 -0.242932948316E+04 0.95561E-04 -0.52691E-04 2085 0.249E-02 0.728E-02 DAV: 4 -0.242932950156E+04 -0.18398E-04 -0.10881E-03 2157 0.258E-02 0.686E-02 DAV: 5 -0.242932944272E+04 0.58844E-04 -0.75933E-04 2139 0.219E-02 0.284E-02 DAV: 6 -0.242932943932E+04 0.33968E-05 -0.10351E-04 1905 0.976E-03 0.168E-02 DAV: 7 -0.242932943682E+04 0.24953E-05 -0.13402E-05 1014 0.472E-03 591 F= -.24293294E+04 E0= -.24294133E+04 d E =-.174202E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242932733271E+04 0.21066E-02 -0.21392E+00 1704 0.175E+00 0.321E-01 DAV: 2 -0.242933135733E+04 -0.40246E-02 -0.46549E-02 1905 0.232E-01 0.188E-01 DAV: 3 -0.242933116820E+04 0.18913E-03 -0.42333E-03 2085 0.507E-02 0.141E-01 DAV: 4 -0.242933099091E+04 0.17729E-03 -0.26477E-03 2094 0.373E-02 0.953E-02 DAV: 5 -0.242933098157E+04 0.93322E-05 -0.13025E-03 2121 0.374E-02 0.752E-02 DAV: 6 -0.242933092286E+04 0.58717E-04 -0.50999E-04 2148 0.200E-02 0.254E-02 DAV: 7 -0.242933092212E+04 0.74244E-06 -0.44800E-05 1635 0.827E-03 592 F= -.24293309E+04 E0= -.24294147E+04 d E =-.148529E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242932987497E+04 0.10479E-02 -0.75081E-01 1704 0.103E+00 0.192E-01 DAV: 2 -0.242933131548E+04 -0.14405E-02 -0.16511E-02 1905 0.138E-01 0.112E-01 DAV: 3 -0.242933125229E+04 0.63194E-04 -0.14126E-03 2085 0.299E-02 0.840E-02 DAV: 4 -0.242933119483E+04 0.57462E-04 -0.98434E-04 2094 0.223E-02 0.573E-02 DAV: 5 -0.242933119034E+04 0.44843E-05 -0.45590E-04 2121 0.223E-02 0.445E-02 DAV: 6 -0.242933117000E+04 0.20339E-04 -0.17057E-04 2022 0.117E-02 0.150E-02 DAV: 7 -0.242933116951E+04 0.49824E-06 -0.14647E-05 1140 0.513E-03 593 F= -.24293312E+04 E0= -.24294148E+04 d E =-.173268E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242932861689E+04 0.25531E-02 -0.24757E+00 1704 0.188E+00 0.347E-01 DAV: 2 -0.242933331201E+04 -0.46951E-02 -0.54791E-02 1914 0.251E-01 0.213E-01 DAV: 3 -0.242933312974E+04 0.18227E-03 -0.69453E-03 2103 0.605E-02 0.170E-01 DAV: 4 -0.242933281209E+04 0.31765E-03 -0.29431E-03 2166 0.429E-02 0.109E-01 DAV: 5 -0.242933288085E+04 -0.68760E-04 -0.17337E-03 2211 0.426E-02 0.114E-01 DAV: 6 -0.242933272737E+04 0.15348E-03 -0.11075E-03 2220 0.269E-02 0.259E-02 DAV: 7 -0.242933273662E+04 -0.92461E-05 -0.91091E-05 1941 0.109E-02 594 F= -.24293327E+04 E0= -.24294164E+04 d E =-.156711E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242933189606E+04 0.83131E-03 -0.60256E-01 1704 0.928E-01 0.175E-01 DAV: 2 -0.242933307147E+04 -0.11754E-02 -0.13617E-02 1914 0.125E-01 0.106E-01 DAV: 3 -0.242933302960E+04 0.41869E-04 -0.17277E-03 2121 0.306E-02 0.859E-02 DAV: 4 -0.242933295130E+04 0.78306E-04 -0.79695E-04 2166 0.217E-02 0.543E-02 DAV: 5 -0.242933296972E+04 -0.18426E-04 -0.43896E-04 2193 0.211E-02 0.564E-02 DAV: 6 -0.242933293158E+04 0.38139E-04 -0.26225E-04 2139 0.133E-02 0.128E-02 DAV: 7 -0.242933293349E+04 -0.19030E-05 -0.20490E-05 1302 0.564E-03 595 F= -.24293329E+04 E0= -.24294165E+04 d E =-.176398E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242932963694E+04 0.32946E-02 -0.28751E+00 1704 0.202E+00 0.368E-01 DAV: 2 -0.242933497097E+04 -0.53340E-02 -0.61263E-02 1905 0.268E-01 0.211E-01 DAV: 3 -0.242933467601E+04 0.29496E-03 -0.32866E-03 2094 0.517E-02 0.155E-01 DAV: 4 -0.242933458728E+04 0.88733E-04 -0.35888E-03 2238 0.455E-02 0.136E-01 DAV: 5 -0.242933445483E+04 0.13245E-03 -0.18199E-03 2220 0.445E-02 0.754E-02 DAV: 6 -0.242933440561E+04 0.49216E-04 -0.69914E-04 2076 0.231E-02 0.298E-02 DAV: 7 -0.242933440127E+04 0.43375E-05 -0.72146E-05 1851 0.998E-03 596 F= -.24293344E+04 E0= -.24294180E+04 d E =-.146779E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242933414071E+04 0.26490E-03 -0.18155E-01 1704 0.509E-01 0.966E-02 DAV: 2 -0.242933449775E+04 -0.35704E-03 -0.40200E-03 1914 0.685E-02 0.533E-02 DAV: 3 -0.242933448212E+04 0.15634E-04 -0.20384E-04 2031 0.134E-02 0.388E-02 DAV: 4 -0.242933447788E+04 0.42388E-05 -0.24393E-04 1581 0.117E-02 0.331E-02 DAV: 5 -0.242933447109E+04 0.67884E-05 -0.12568E-04 1932 0.117E-02 0.203E-02 DAV: 6 -0.242933446719E+04 0.39017E-05 -0.39661E-05 1149 0.582E-03 597 F= -.24293345E+04 E0= -.24294181E+04 d E =-.153370E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242933192316E+04 0.25479E-02 -0.23589E+00 1704 0.183E+00 0.336E-01 DAV: 2 -0.242933628073E+04 -0.43576E-02 -0.50042E-02 1896 0.243E-01 0.188E-01 DAV: 3 -0.242933602955E+04 0.25118E-03 -0.19881E-03 2094 0.442E-02 0.137E-01 DAV: 4 -0.242933602405E+04 0.55032E-05 -0.29772E-03 2310 0.430E-02 0.134E-01 DAV: 5 -0.242933587290E+04 0.15115E-03 -0.17484E-03 2202 0.397E-02 0.639E-02 DAV: 6 -0.242933583580E+04 0.37103E-04 -0.51398E-04 2031 0.196E-02 0.259E-02 DAV: 7 -0.242933583271E+04 0.30849E-05 -0.55939E-05 1797 0.946E-03 598 F= -.24293358E+04 E0= -.24294193E+04 d E =-.136552E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242933541566E+04 0.42014E-03 -0.29007E-01 1704 0.643E-01 0.121E-01 DAV: 2 -0.242933597242E+04 -0.55677E-03 -0.62830E-03 1905 0.859E-02 0.659E-02 DAV: 3 -0.242933594460E+04 0.27818E-04 -0.22740E-04 2067 0.155E-02 0.474E-02 DAV: 4 -0.242933594759E+04 -0.29851E-05 -0.36961E-04 2094 0.154E-02 0.478E-02 DAV: 5 -0.242933592691E+04 0.20682E-04 -0.20114E-04 2085 0.138E-02 0.197E-02 DAV: 6 -0.242933592425E+04 0.26509E-05 -0.51675E-05 1320 0.649E-03 599 F= -.24293359E+04 E0= -.24294193E+04 d E =-.145706E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242933467876E+04 0.12481E-02 -0.15475E+00 1704 0.149E+00 0.267E-01 DAV: 2 -0.242933754671E+04 -0.28679E-02 -0.33192E-02 1905 0.196E-01 0.158E-01 DAV: 3 -0.242933741496E+04 0.13175E-03 -0.23838E-03 2103 0.404E-02 0.123E-01 DAV: 4 -0.242933732165E+04 0.93304E-04 -0.21502E-03 2211 0.329E-02 0.934E-02 DAV: 5 -0.242933729962E+04 0.22031E-04 -0.10536E-03 2166 0.325E-02 0.686E-02 DAV: 6 -0.242933724284E+04 0.56777E-04 -0.44943E-04 2148 0.185E-02 0.203E-02 DAV: 7 -0.242933724370E+04 -0.85631E-06 -0.41509E-05 1671 0.800E-03 600 F= -.24293372E+04 E0= -.24294206E+04 d E =-.131944E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242933230014E+04 0.49427E-02 -0.33889E+00 1704 0.220E+00 0.395E-01 DAV: 2 -0.242933860172E+04 -0.63016E-02 -0.72751E-02 1905 0.290E-01 0.233E-01 DAV: 3 -0.242933830840E+04 0.29333E-03 -0.51485E-03 2112 0.597E-02 0.183E-01 DAV: 4 -0.242933810448E+04 0.20392E-03 -0.48285E-03 2211 0.488E-02 0.138E-01 DAV: 5 -0.242933805365E+04 0.50829E-04 -0.23527E-03 2166 0.480E-02 0.101E-01 DAV: 6 -0.242933792910E+04 0.12455E-03 -0.95082E-04 2148 0.270E-02 0.297E-02 DAV: 7 -0.242933793093E+04 -0.18338E-05 -0.90946E-05 1959 0.119E-02 601 F= -.24293379E+04 E0= -.24294213E+04 d E =-.200667E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242933627240E+04 0.16567E-02 -0.18221E+00 1704 0.161E+00 0.295E-01 DAV: 2 -0.242933966528E+04 -0.33929E-02 -0.38628E-02 1896 0.213E-01 0.164E-01 DAV: 3 -0.242933944774E+04 0.21755E-03 -0.10474E-03 2076 0.352E-02 0.108E-01 DAV: 4 -0.242933949700E+04 -0.49258E-04 -0.24273E-03 2202 0.383E-02 0.101E-01 DAV: 5 -0.242933935144E+04 0.14556E-03 -0.13250E-03 2166 0.311E-02 0.394E-02 DAV: 6 -0.242933934563E+04 0.58096E-05 -0.18668E-04 2031 0.136E-02 0.240E-02 DAV: 7 -0.242933934031E+04 0.53211E-05 -0.30163E-05 1239 0.707E-03 602 F= -.24293393E+04 E0= -.24294227E+04 d E =-.140938E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242933663158E+04 0.27141E-02 -0.19188E+00 1704 0.165E+00 0.302E-01 DAV: 2 -0.242934018523E+04 -0.35537E-02 -0.40581E-02 1896 0.218E-01 0.169E-01 DAV: 3 -0.242933994943E+04 0.23580E-03 -0.11384E-03 2076 0.364E-02 0.111E-01 DAV: 4 -0.242933998945E+04 -0.40023E-04 -0.25748E-03 2193 0.391E-02 0.100E-01 DAV: 5 -0.242933983623E+04 0.15322E-03 -0.13536E-03 2112 0.314E-02 0.354E-02 DAV: 6 -0.242933983450E+04 0.17289E-05 -0.17504E-04 1977 0.137E-02 0.250E-02 DAV: 7 -0.242933982833E+04 0.61682E-05 -0.31574E-05 1212 0.714E-03 603 F= -.24293398E+04 E0= -.24294232E+04 d E =-.189740E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242933867279E+04 0.11617E-02 -0.15549E+00 1704 0.149E+00 0.271E-01 DAV: 2 -0.242934151562E+04 -0.28428E-02 -0.32688E-02 1878 0.196E-01 0.154E-01 DAV: 3 -0.242934133479E+04 0.18082E-03 -0.11413E-03 2085 0.351E-02 0.107E-01 DAV: 4 -0.242934135960E+04 -0.24812E-04 -0.19946E-03 2283 0.347E-02 0.111E-01 DAV: 5 -0.242934123464E+04 0.12496E-03 -0.12106E-03 2220 0.320E-02 0.445E-02 DAV: 6 -0.242934122430E+04 0.10343E-04 -0.26141E-04 2004 0.155E-02 0.216E-02 DAV: 7 -0.242934122047E+04 0.38272E-05 -0.34616E-05 1410 0.735E-03 604 F= -.24293412E+04 E0= -.24294244E+04 d E =-.139214E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242933998023E+04 0.12441E-02 -0.96185E-01 1704 0.117E+00 0.215E-01 DAV: 2 -0.242934174609E+04 -0.17659E-02 -0.20256E-02 1878 0.154E-01 0.120E-01 DAV: 3 -0.242934163277E+04 0.11332E-03 -0.67822E-04 2085 0.272E-02 0.809E-02 DAV: 4 -0.242934165032E+04 -0.17555E-04 -0.13176E-03 2148 0.270E-02 0.789E-02 DAV: 5 -0.242934157596E+04 0.74357E-04 -0.85255E-04 2175 0.245E-02 0.345E-02 DAV: 6 -0.242934157063E+04 0.53296E-05 -0.13725E-04 1968 0.111E-02 0.184E-02 DAV: 7 -0.242934156759E+04 0.30417E-05 -0.16895E-05 1113 0.544E-03 605 F= -.24293416E+04 E0= -.24294246E+04 d E =-.173926E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242934031106E+04 0.12596E-02 -0.15896E+00 1704 0.151E+00 0.278E-01 DAV: 2 -0.242934326130E+04 -0.29502E-02 -0.34259E-02 1905 0.201E-01 0.163E-01 DAV: 3 -0.242934312654E+04 0.13476E-03 -0.26957E-03 2121 0.435E-02 0.131E-01 DAV: 4 -0.242934300328E+04 0.12327E-03 -0.20806E-03 2256 0.342E-02 0.987E-02 DAV: 5 -0.242934298005E+04 0.23231E-04 -0.10331E-03 2184 0.337E-02 0.702E-02 DAV: 6 -0.242934291993E+04 0.60115E-04 -0.55597E-04 2094 0.204E-02 0.209E-02 DAV: 7 -0.242934292099E+04 -0.10592E-05 -0.56029E-05 1797 0.831E-03 606 F= -.24293429E+04 E0= -.24294260E+04 d E =-.135340E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242934177488E+04 0.11451E-02 -0.86833E-01 1704 0.111E+00 0.208E-01 DAV: 2 -0.242934340771E+04 -0.16328E-02 -0.18860E-02 1905 0.149E-01 0.121E-01 DAV: 3 -0.242934333882E+04 0.68892E-04 -0.14891E-03 2121 0.324E-02 0.974E-02 DAV: 4 -0.242934327011E+04 0.68706E-04 -0.11517E-03 2247 0.254E-02 0.728E-02 DAV: 5 -0.242934326097E+04 0.91439E-05 -0.57651E-04 2175 0.251E-02 0.533E-02 DAV: 6 -0.242934322601E+04 0.34958E-04 -0.30231E-04 2085 0.152E-02 0.155E-02 DAV: 7 -0.242934322659E+04 -0.58055E-06 -0.28827E-05 1419 0.622E-03 607 F= -.24293432E+04 E0= -.24294263E+04 d E =-.165900E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242934114474E+04 0.20813E-02 -0.20725E+00 1704 0.172E+00 0.318E-01 DAV: 2 -0.242934501259E+04 -0.38679E-02 -0.44700E-02 1905 0.229E-01 0.185E-01 DAV: 3 -0.242934480349E+04 0.20911E-03 -0.31618E-03 2094 0.484E-02 0.138E-01 DAV: 4 -0.242934467214E+04 0.13135E-03 -0.25906E-03 2166 0.386E-02 0.106E-01 DAV: 5 -0.242934463994E+04 0.32197E-04 -0.14438E-03 2166 0.387E-02 0.836E-02 DAV: 6 -0.242934456537E+04 0.74572E-04 -0.60786E-04 2202 0.219E-02 0.249E-02 DAV: 7 -0.242934456629E+04 -0.91495E-06 -0.58313E-05 1851 0.925E-03 608 F= -.24293446E+04 E0= -.24294278E+04 d E =-.133970E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242934417747E+04 0.38790E-03 -0.28148E-01 1704 0.635E-01 0.120E-01 DAV: 2 -0.242934472089E+04 -0.54343E-03 -0.62172E-03 1905 0.854E-02 0.686E-02 DAV: 3 -0.242934469452E+04 0.26373E-04 -0.44927E-04 2094 0.184E-02 0.515E-02 DAV: 4 -0.242934467604E+04 0.18484E-04 -0.38884E-04 1977 0.144E-02 0.379E-02 DAV: 5 -0.242934467084E+04 0.51980E-05 -0.19095E-04 2031 0.146E-02 0.300E-02 DAV: 6 -0.242934466131E+04 0.95331E-05 -0.72118E-05 1491 0.795E-03 609 F= -.24293447E+04 E0= -.24294279E+04 d E =-.143472E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242934266159E+04 0.20092E-02 -0.20745E+00 1704 0.172E+00 0.315E-01 DAV: 2 -0.242934640329E+04 -0.37417E-02 -0.43557E-02 1896 0.227E-01 0.182E-01 DAV: 3 -0.242934616103E+04 0.24226E-03 -0.21882E-03 2085 0.442E-02 0.127E-01 DAV: 4 -0.242934609519E+04 0.65837E-04 -0.25969E-03 2094 0.382E-02 0.102E-01 DAV: 5 -0.242934599858E+04 0.96611E-04 -0.16077E-03 2049 0.355E-02 0.507E-02 DAV: 6 -0.242934598370E+04 0.14882E-04 -0.31423E-04 2049 0.166E-02 0.272E-02 DAV: 7 -0.242934597714E+04 0.65528E-05 -0.31946E-05 1410 0.761E-03 610 F= -.24293460E+04 E0= -.24294292E+04 d E =-.131584E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242934554329E+04 0.44041E-03 -0.32750E-01 1704 0.683E-01 0.127E-01 DAV: 2 -0.242934615717E+04 -0.61388E-03 -0.70387E-03 1905 0.912E-02 0.728E-02 DAV: 3 -0.242934612067E+04 0.36501E-04 -0.33228E-04 2085 0.177E-02 0.509E-02 DAV: 4 -0.242934611135E+04 0.93198E-05 -0.41546E-04 2049 0.156E-02 0.401E-02 DAV: 5 -0.242934609305E+04 0.18298E-04 -0.19926E-04 1995 0.135E-02 0.995E-03 DAV: 6 -0.242934609353E+04 -0.47957E-06 -0.22805E-05 1158 0.577E-03 611 F= -.24293461E+04 E0= -.24294293E+04 d E =-.143223E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242934395446E+04 0.21386E-02 -0.22177E+00 1704 0.178E+00 0.329E-01 DAV: 2 -0.242934790404E+04 -0.39496E-02 -0.45752E-02 1905 0.233E-01 0.184E-01 DAV: 3 -0.242934762137E+04 0.28267E-03 -0.11359E-03 2076 0.400E-02 0.128E-01 DAV: 4 -0.242934773094E+04 -0.10956E-03 -0.28205E-03 2427 0.435E-02 0.157E-01 DAV: 5 -0.242934744366E+04 0.28728E-03 -0.14694E-03 2247 0.375E-02 0.281E-02 DAV: 6 -0.242934746847E+04 -0.24804E-04 -0.20774E-04 1986 0.155E-02 0.230E-02 DAV: 7 -0.242934746454E+04 0.39274E-05 -0.34033E-05 1491 0.697E-03 612 F= -.24293475E+04 E0= -.24294305E+04 d E =-.137101E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242934720957E+04 0.25890E-03 -0.22681E-01 1704 0.568E-01 0.108E-01 DAV: 2 -0.242934762889E+04 -0.41932E-03 -0.47884E-03 1905 0.753E-02 0.588E-02 DAV: 3 -0.242934760080E+04 0.28085E-04 -0.11074E-04 2058 0.127E-02 0.389E-02 DAV: 4 -0.242934760875E+04 -0.79488E-05 -0.22807E-04 2148 0.138E-02 0.433E-02 DAV: 5 -0.242934758819E+04 0.20566E-04 -0.14399E-04 1941 0.110E-02 0.147E-02 DAV: 6 -0.242934758782E+04 0.36634E-06 -0.29142E-05 1167 0.500E-03 613 F= -.24293476E+04 E0= -.24294306E+04 d E =-.149429E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242934624552E+04 0.13427E-02 -0.16949E+00 1704 0.156E+00 0.297E-01 DAV: 2 -0.242934930390E+04 -0.30584E-02 -0.35933E-02 1905 0.207E-01 0.167E-01 DAV: 3 -0.242934909110E+04 0.21280E-03 -0.18837E-03 2094 0.418E-02 0.118E-01 DAV: 4 -0.242934901971E+04 0.71394E-04 -0.22092E-03 2103 0.364E-02 0.891E-02 DAV: 5 -0.242934892603E+04 0.93684E-04 -0.10338E-03 2049 0.307E-02 0.329E-02 DAV: 6 -0.242934892543E+04 0.59634E-06 -0.21339E-04 2085 0.146E-02 0.262E-02 DAV: 7 -0.242934891874E+04 0.66928E-05 -0.40807E-05 1320 0.707E-03 614 F= -.24293489E+04 E0= -.24294317E+04 d E =-.133092E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242934879784E+04 0.12760E-03 -0.10736E-01 1704 0.392E-01 0.777E-02 DAV: 2 -0.242934900181E+04 -0.20398E-03 -0.23564E-03 1914 0.531E-02 0.431E-02 DAV: 3 -0.242934898982E+04 0.11990E-04 -0.12857E-04 1878 0.117E-02 0.328E-02 DAV: 4 -0.242934898316E+04 0.66663E-05 -0.12328E-04 1509 0.100E-02 0.256E-02 DAV: 5 -0.242934897861E+04 0.45432E-05 -0.66556E-05 1806 0.967E-03 615 F= -.24293490E+04 E0= -.24294318E+04 d E =-.139079E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242934802206E+04 0.96110E-03 -0.13822E+00 1704 0.140E+00 0.254E-01 DAV: 2 -0.242935045522E+04 -0.24332E-02 -0.28244E-02 1878 0.183E-01 0.146E-01 DAV: 3 -0.242935027119E+04 0.18403E-03 -0.64033E-04 2076 0.307E-02 0.950E-02 DAV: 4 -0.242935032210E+04 -0.50909E-04 -0.14166E-03 2301 0.364E-02 0.104E-01 DAV: 5 -0.242935019288E+04 0.12922E-03 -0.89615E-04 2283 0.283E-02 0.333E-02 DAV: 6 -0.242935019630E+04 -0.34185E-05 -0.16585E-04 1977 0.117E-02 0.209E-02 DAV: 7 -0.242935019207E+04 0.42216E-05 -0.30314E-05 1212 0.640E-03 616 F= -.24293502E+04 E0= -.24294329E+04 d E =-.121346E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242934863414E+04 0.15622E-02 -0.12178E+00 1704 0.131E+00 0.239E-01 DAV: 2 -0.242935080492E+04 -0.21708E-02 -0.25058E-02 1878 0.172E-01 0.137E-01 DAV: 3 -0.242935064177E+04 0.16315E-03 -0.55849E-04 2076 0.289E-02 0.892E-02 DAV: 4 -0.242935068773E+04 -0.45961E-04 -0.13002E-03 2265 0.341E-02 0.968E-02 DAV: 5 -0.242935057209E+04 0.11564E-03 -0.78423E-04 2283 0.262E-02 0.300E-02 DAV: 6 -0.242935057553E+04 -0.34391E-05 -0.13687E-04 1986 0.107E-02 0.197E-02 DAV: 7 -0.242935057145E+04 0.40742E-05 -0.25495E-05 1158 0.610E-03 617 F= -.24293506E+04 E0= -.24294333E+04 d E =-.159284E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242934974237E+04 0.83316E-03 -0.13275E+00 1704 0.137E+00 0.252E-01 DAV: 2 -0.242935210839E+04 -0.23660E-02 -0.27396E-02 1905 0.180E-01 0.147E-01 DAV: 3 -0.242935196751E+04 0.14088E-03 -0.11421E-03 2121 0.340E-02 0.110E-01 DAV: 4 -0.242935196396E+04 0.35508E-05 -0.17237E-03 2364 0.328E-02 0.110E-01 DAV: 5 -0.242935185521E+04 0.10875E-03 -0.95191E-04 2193 0.300E-02 0.400E-02 DAV: 6 -0.242935184604E+04 0.91658E-05 -0.24507E-04 2013 0.143E-02 0.193E-02 DAV: 7 -0.242935184306E+04 0.29771E-05 -0.30615E-05 1473 0.680E-03 618 F= -.24293518E+04 E0= -.24294345E+04 d E =-.127161E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242935032687E+04 0.15192E-02 -0.11943E+00 1704 0.130E+00 0.240E-01 DAV: 2 -0.242935246362E+04 -0.21367E-02 -0.24682E-02 1905 0.171E-01 0.138E-01 DAV: 3 -0.242935233070E+04 0.13292E-03 -0.94483E-04 2103 0.315E-02 0.101E-01 DAV: 4 -0.242935234542E+04 -0.14726E-04 -0.16030E-03 2328 0.314E-02 0.105E-01 DAV: 5 -0.242935224126E+04 0.10416E-03 -0.89458E-04 2211 0.285E-02 0.406E-02 DAV: 6 -0.242935223046E+04 0.10802E-04 -0.21787E-04 2004 0.137E-02 0.184E-02 DAV: 7 -0.242935222794E+04 0.25143E-05 -0.27462E-05 1392 0.666E-03 619 F= -.24293522E+04 E0= -.24294349E+04 d E =-.165649E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242935065737E+04 0.15731E-02 -0.17990E+00 1704 0.160E+00 0.298E-01 DAV: 2 -0.242935386420E+04 -0.32068E-02 -0.37130E-02 1887 0.210E-01 0.168E-01 DAV: 3 -0.242935362253E+04 0.24167E-03 -0.93090E-04 2076 0.355E-02 0.109E-01 DAV: 4 -0.242935366019E+04 -0.37667E-04 -0.17999E-03 2247 0.394E-02 0.108E-01 DAV: 5 -0.242935351170E+04 0.14849E-03 -0.11156E-03 2220 0.303E-02 0.351E-02 DAV: 6 -0.242935351412E+04 -0.24114E-05 -0.18092E-04 1986 0.128E-02 0.236E-02 DAV: 7 -0.242935350834E+04 0.57747E-05 -0.39405E-05 1248 0.700E-03 620 F= -.24293535E+04 E0= -.24294362E+04 d E =-.128040E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242935278771E+04 0.72640E-03 -0.57722E-01 1704 0.908E-01 0.171E-01 DAV: 2 -0.242935383034E+04 -0.10426E-02 -0.12026E-02 1887 0.119E-01 0.949E-02 DAV: 3 -0.242935375384E+04 0.76505E-04 -0.32085E-04 2085 0.203E-02 0.616E-02 DAV: 4 -0.242935376937E+04 -0.15534E-04 -0.75775E-04 2211 0.227E-02 0.569E-02 DAV: 5 -0.242935371625E+04 0.53122E-04 -0.44249E-04 2103 0.173E-02 0.177E-02 DAV: 6 -0.242935371666E+04 -0.40879E-06 -0.49459E-05 1644 0.743E-03 621 F= -.24293537E+04 E0= -.24294364E+04 d E =-.148871E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242935207778E+04 0.16385E-02 -0.19819E+00 1704 0.168E+00 0.313E-01 DAV: 2 -0.242935559971E+04 -0.35219E-02 -0.41163E-02 1905 0.221E-01 0.185E-01 DAV: 3 -0.242935544315E+04 0.15656E-03 -0.24222E-03 2184 0.478E-02 0.161E-01 DAV: 4 -0.242935529219E+04 0.15096E-03 -0.26801E-03 2292 0.391E-02 0.121E-01 DAV: 5 -0.242935520156E+04 0.90624E-04 -0.11079E-03 2085 0.366E-02 0.475E-02 DAV: 6 -0.242935517902E+04 0.22545E-04 -0.42003E-04 2040 0.196E-02 0.220E-02 DAV: 7 -0.242935517499E+04 0.40221E-05 -0.42072E-05 1644 0.800E-03 622 F= -.24293552E+04 E0= -.24294378E+04 d E =-.145834E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242935445741E+04 0.72161E-03 -0.58428E-01 1704 0.912E-01 0.172E-01 DAV: 2 -0.242935552018E+04 -0.10628E-02 -0.12292E-02 1896 0.120E-01 0.101E-01 DAV: 3 -0.242935547986E+04 0.40315E-04 -0.82120E-04 2175 0.266E-02 0.889E-02 DAV: 4 -0.242935542719E+04 0.52672E-04 -0.81155E-04 2274 0.216E-02 0.642E-02 DAV: 5 -0.242935540681E+04 0.20378E-04 -0.33243E-04 2067 0.201E-02 0.293E-02 DAV: 6 -0.242935539674E+04 0.10069E-04 -0.13946E-04 1860 0.108E-02 0.122E-02 DAV: 7 -0.242935539550E+04 0.12387E-05 -0.13465E-05 1041 0.468E-03 623 F= -.24293554E+04 E0= -.24294381E+04 d E =-.167884E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242935334703E+04 0.20497E-02 -0.22150E+00 1704 0.178E+00 0.333E-01 DAV: 2 -0.242935727278E+04 -0.39258E-02 -0.46206E-02 1905 0.234E-01 0.195E-01 DAV: 3 -0.242935702597E+04 0.24681E-03 -0.29858E-03 2112 0.511E-02 0.143E-01 DAV: 4 -0.242935687193E+04 0.15404E-03 -0.24422E-03 2121 0.414E-02 0.101E-01 DAV: 5 -0.242935678489E+04 0.87044E-04 -0.11690E-03 2031 0.358E-02 0.355E-02 DAV: 6 -0.242935678482E+04 0.68845E-07 -0.23609E-04 1995 0.156E-02 0.263E-02 DAV: 7 -0.242935677715E+04 0.76720E-05 -0.37668E-05 1284 0.749E-03 624 F= -.24293568E+04 E0= -.24294395E+04 d E =-.138165E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242935656326E+04 0.22157E-03 -0.16997E-01 1704 0.493E-01 0.956E-02 DAV: 2 -0.242935688331E+04 -0.32005E-03 -0.37033E-03 1905 0.658E-02 0.556E-02 DAV: 3 -0.242935687272E+04 0.10589E-04 -0.36541E-04 2031 0.155E-02 0.460E-02 DAV: 4 -0.242935685366E+04 0.19057E-04 -0.25698E-04 1572 0.120E-02 0.310E-02 DAV: 5 -0.242935685570E+04 -0.20440E-05 -0.11946E-04 1914 0.115E-02 0.276E-02 DAV: 6 -0.242935684631E+04 0.93969E-05 -0.54645E-05 1275 0.681E-03 625 F= -.24293568E+04 E0= -.24294396E+04 d E =-.145080E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242935476877E+04 0.20869E-02 -0.22274E+00 1704 0.178E+00 0.335E-01 DAV: 2 -0.242935874388E+04 -0.39751E-02 -0.46951E-02 1905 0.235E-01 0.199E-01 DAV: 3 -0.242935851238E+04 0.23150E-03 -0.40930E-03 2103 0.535E-02 0.150E-01 DAV: 4 -0.242935829315E+04 0.21923E-03 -0.25867E-03 2094 0.400E-02 0.957E-02 DAV: 5 -0.242935822180E+04 0.71350E-04 -0.10588E-03 2022 0.352E-02 0.293E-02 DAV: 6 -0.242935822391E+04 -0.21069E-05 -0.19726E-04 1986 0.155E-02 0.255E-02 DAV: 7 -0.242935821695E+04 0.69534E-05 -0.36945E-05 1293 0.721E-03 626 F= -.24293582E+04 E0= -.24294411E+04 d E =-.137065E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242935803280E+04 0.19110E-03 -0.16941E-01 1704 0.491E-01 0.954E-02 DAV: 2 -0.242935835238E+04 -0.31957E-03 -0.36822E-03 1905 0.657E-02 0.568E-02 DAV: 3 -0.242935833870E+04 0.13677E-04 -0.29096E-04 2157 0.162E-02 0.474E-02 DAV: 4 -0.242935831918E+04 0.19521E-04 -0.17684E-04 1779 0.119E-02 0.307E-02 DAV: 5 -0.242935832250E+04 -0.33225E-05 -0.13362E-04 1986 0.115E-02 0.262E-02 DAV: 6 -0.242935831271E+04 0.97906E-05 -0.76721E-05 1356 0.688E-03 627 F= -.24293583E+04 E0= -.24294412E+04 d E =-.146640E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242935619530E+04 0.21272E-02 -0.23790E+00 1704 0.184E+00 0.344E-01 DAV: 2 -0.242936041554E+04 -0.42202E-02 -0.49947E-02 1905 0.242E-01 0.214E-01 DAV: 3 -0.242936029263E+04 0.12291E-03 -0.49832E-03 2220 0.598E-02 0.197E-01 DAV: 4 -0.242935992835E+04 0.36428E-03 -0.33946E-03 2247 0.457E-02 0.121E-01 DAV: 5 -0.242935994224E+04 -0.13894E-04 -0.16066E-03 2130 0.419E-02 0.875E-02 DAV: 6 -0.242935983340E+04 0.10884E-03 -0.97755E-04 2085 0.253E-02 0.249E-02 DAV: 7 -0.242935983319E+04 0.21361E-06 -0.71909E-05 1887 0.986E-03 628 F= -.24293598E+04 E0= -.24294427E+04 d E =-.152048E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242935970621E+04 0.12719E-03 -0.11122E-01 1704 0.398E-01 0.776E-02 DAV: 2 -0.242935992011E+04 -0.21390E-03 -0.24530E-03 1905 0.536E-02 0.469E-02 DAV: 3 -0.242935991600E+04 0.41085E-05 -0.24109E-04 1941 0.134E-02 0.433E-02 DAV: 4 -0.242935989871E+04 0.17286E-04 -0.16722E-04 1563 0.104E-02 0.261E-02 DAV: 5 -0.242935989933E+04 -0.61313E-06 -0.72345E-05 1788 0.936E-03 629 F= -.24293599E+04 E0= -.24294428E+04 d E =-.158662E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242935745776E+04 0.24410E-02 -0.25377E+00 1704 0.190E+00 0.358E-01 DAV: 2 -0.242936190204E+04 -0.44443E-02 -0.52820E-02 1905 0.250E-01 0.215E-01 DAV: 3 -0.242936162702E+04 0.27502E-03 -0.39627E-03 2148 0.567E-02 0.167E-01