N E dE d eps ncg rms rms(c) DAV: 1 0.646415562482E+04 0.64642E+04 -0.51800E+05 1704 0.107E+03 DAV: 2 -0.190416908189E+04 -0.83683E+04 -0.81099E+04 2061 0.272E+02 DAV: 3 -0.269607918938E+04 -0.79191E+03 -0.78743E+03 2049 0.891E+01 DAV: 4 -0.271349274289E+04 -0.17414E+02 -0.17363E+02 2067 0.141E+01 DAV: 5 -0.271398512530E+04 -0.49238E+00 -0.49187E+00 2103 0.218E+00 0.114E+02 DAV: 6 -0.244585122752E+04 0.26813E+03 -0.93363E+02 1896 0.299E+01 0.555E+01 DAV: 7 -0.243277730256E+04 0.13074E+02 -0.54702E+01 2166 0.751E+00 0.248E+01 DAV: 8 -0.242917469877E+04 0.36026E+01 -0.90927E+00 2058 0.390E+00 0.971E+00 DAV: 9 -0.242868735113E+04 0.48735E+00 -0.18932E+00 2049 0.177E+00 0.186E+00 DAV: 10 -0.242877514769E+04 -0.87797E-01 -0.28379E-01 2040 0.725E-01 0.120E+00 DAV: 11 -0.242879612258E+04 -0.20975E-01 -0.71621E-02 2094 0.410E-01 0.637E-01 DAV: 12 -0.242880695868E+04 -0.10836E-01 -0.32622E-02 1977 0.287E-01 0.282E-01 DAV: 13 -0.242880645022E+04 0.50846E-03 -0.13965E-02 2085 0.191E-01 0.177E-01 DAV: 14 -0.242880561537E+04 0.83485E-03 -0.48421E-03 2049 0.121E-01 0.980E-02 DAV: 15 -0.242880488810E+04 0.72727E-03 -0.97700E-04 2058 0.775E-02 0.601E-02 DAV: 16 -0.242880436075E+04 0.52735E-03 -0.50927E-04 2274 0.752E-02 0.321E-02 DAV: 17 -0.242880429211E+04 0.68642E-04 -0.84394E-04 2076 0.469E-02 0.362E-02 DAV: 18 -0.242880428033E+04 0.11773E-04 -0.14464E-04 2085 0.152E-02 0.305E-02 DAV: 19 -0.242880426402E+04 0.16315E-04 -0.21732E-05 1536 0.889E-03 0.190E-02 DAV: 20 -0.242880426295E+04 0.10663E-05 -0.61781E-05 2004 0.130E-02 1 F= -.24288043E+04 E0= -.24288127E+04 d E =-.242880E+04 N E dE d eps ncg rms rms(c) DAV: 1 -0.242862622215E+04 0.17804E+00 -0.29492E+01 1704 0.658E+00 0.238E+00 DAV: 2 -0.242869072855E+04 -0.64506E-01 -0.10720E+00 2076 0.118E+00 0.100E+00 DAV: 3 -0.242866620860E+04 0.24520E-01 -0.72061E-02 2085 0.406E-01 0.602E-01 DAV: 4 -0.242865618381E+04 0.10025E-01 -0.49700E-02 2112 0.329E-01 0.361E-01 DAV: 5 -0.242864809875E+04 0.80851E-02 -0.21598E-02 2085 0.241E-01 0.316E-01 DAV: 6 -0.242864904209E+04 -0.94334E-03 -0.80193E-03 1905 0.955E-02 0.348E-01 DAV: 7 -0.242864924020E+04 -0.19810E-03 -0.17026E-04 2310 0.128E-02 0.356E-01 DAV: 8 -0.242864998248E+04 -0.74229E-03 -0.17269E-04 2067 0.168E-02 0.380E-01 DAV: 9 -0.242867057964E+04 -0.20597E-01 -0.48583E-02 2013 0.280E-01 0.148E+00 DAV: 10 -0.242869637786E+04 -0.25798E-01 -0.37183E-02 2040 0.226E-01 0.228E+00 DAV: 11 -0.242868683580E+04 0.95421E-02 -0.42247E-03 1914 0.743E-02 0.201E+00 DAV: 12 -0.242866424332E+04 0.22592E-01 -0.29335E-02 1950 0.199E-01 0.119E+00 DAV: 13 -0.242866511429E+04 -0.87098E-03 -0.22668E-01 1968 0.560E-01 0.133E+00 DAV: 14 -0.242871058576E+04 -0.45471E-01 -0.91057E-02 2013 0.359E-01 0.261E+00 DAV: 15 -0.242870609788E+04 0.44879E-02 -0.23277E-03 2040 0.730E-02 0.249E+00 DAV: 16 -0.242870005812E+04 0.60398E-02 -0.21526E-03 2130 0.978E-02 0.230E+00 DAV: 17 -0.242869819240E+04 0.18657E-02 -0.52399E-03 2409 0.219E-01 0.209E+00 DAV: 18 -0.242871190375E+04 -0.13711E-01 -0.10957E-02 2049 0.138E-01 0.235E+00 DAV: 19 -0.242870941267E+04 0.24911E-02 -0.14324E-03 1968 0.453E-02 0.235E+00 DAV: 20 -0.242869520642E+04 0.14206E-01 -0.57864E-03 1959 0.101E-01 0.199E+00 DAV: 21 -0.242869477752E+04 0.42891E-03 -0.68205E-04 2346 0.900E-02 0.208E+00 DAV: 22 -0.242865377609E+04 0.41001E-01 -0.73374E-02 2283 0.479E-01 0.844E-01 DAV: 23 -0.242865122741E+04 0.25487E-02 -0.44626E-02 1995 0.253E-01 0.379E-01 DAV: 24 -0.242864762301E+04 0.36044E-02 -0.11663E-03 2373 0.915E-02 0.480E-01 DAV: 25 -0.242865089753E+04 -0.32745E-02 -0.97013E-04 2256 0.793E-02 0.364E-01 DAV: 26 -0.242865167006E+04 -0.77253E-03 -0.45891E-04 2094 0.332E-02 0.375E-01 DAV: 27 -0.242865184176E+04 -0.17170E-03 -0.16050E-03 2031 0.511E-02 0.258E-01 DAV: 28 -0.242865532806E+04 -0.34863E-02 -0.23742E-03 2211 0.110E-01 0.315E-01 DAV: 29 -0.242865704428E+04 -0.17162E-02 -0.15518E-03 2256 0.842E-02 0.288E-01 DAV: 30 -0.242865757373E+04 -0.52945E-03 -0.14718E-03 2013 0.461E-02 0.258E-01 DAV: 31 -0.242865769157E+04 -0.11784E-03 -0.72402E-05 1941 0.100E-02 0.270E-01 DAV: 32 -0.242865840830E+04 -0.71673E-03 -0.28860E-05 1878 0.278E-02 0.262E-01 DAV: 33 -0.242866041865E+04 -0.20104E-02 -0.77214E-04 2643 0.855E-02 0.239E-01 DAV: 34 -0.242866072056E+04 -0.30191E-03 -0.85052E-04 1950 0.276E-02 0.248E-01 DAV: 35 -0.242866083999E+04 -0.11942E-03 -0.11966E-05 1581 0.524E-03 0.249E-01 DAV: 36 -0.242866048040E+04 0.35958E-03 -0.50074E-06 1455 0.109E-02 0.249E-01 DAV: 37 -0.242866022907E+04 0.25134E-03 -0.14749E-05 1563 0.820E-03 0.248E-01 DAV: 38 -0.242866064021E+04 -0.41115E-03 -0.11967E-05 1536 0.118E-02 0.249E-01 DAV: 39 -0.242866010722E+04 0.53299E-03 -0.23375E-06 1500 0.156E-02 0.246E-01 DAV: 40 -0.242865827702E+04 0.18302E-02 -0.23044E-04 2571 0.591E-02 0.234E-01 DAV: 41 -0.242865752092E+04 0.75611E-03 -0.45341E-04 2031 0.324E-02 0.222E-01 DAV: 42 -0.242865660295E+04 0.91796E-03 -0.87617E-05 2139 0.359E-02 0.219E-01 DAV: 43 -0.242865410037E+04 0.25026E-02 -0.34992E-04 2652 0.861E-02 0.221E-01 DAV: 44 -0.242865016694E+04 0.39334E-02 -0.15766E-03 2337 0.120E-01 0.300E-01 DAV: 45 -0.242865090527E+04 -0.73832E-03 -0.16150E-03 1923 0.385E-02 0.252E-01 DAV: 46 -0.242864678034E+04 0.41249E-02 -0.45455E-04 2571 0.940E-02 0.382E-01 DAV: 47 -0.242865010676E+04 -0.33264E-02 -0.37073E-04 2472 0.755E-02 0.263E-01 DAV: 48 -0.242865049854E+04 -0.39178E-03 -0.10290E-04 1914 0.108E-02 0.256E-01 DAV: 49 -0.242865229417E+04 -0.17956E-02 -0.13345E-04 2364 0.518E-02 0.206E-01 DAV: 50 -0.242865246940E+04 -0.17524E-03 -0.17134E-04 1959 0.139E-02 0.206E-01 DAV: 51 -0.242865199882E+04 0.47058E-03 -0.17182E-05 1635 0.152E-02 0.217E-01 DAV: 52 -0.242864978200E+04 0.22168E-02 -0.23599E-04 2364 0.597E-02 0.277E-01 DAV: 53 -0.242865166891E+04 -0.18869E-02 -0.18262E-04 2265 0.499E-02 0.220E-01 DAV: 54 -0.242865150909E+04 0.15982E-03 -0.26980E-05 1626 0.791E-03 0.227E-01 DAV: 55 -0.242865237893E+04 -0.86985E-03 -0.41596E-05 2022 0.266E-02 0.208E-01 DAV: 56 -0.242865200797E+04 0.37096E-03 -0.15415E-05 1608 0.120E-02 0.219E-01 DAV: 57 -0.242864537571E+04 0.66323E-02 -0.11218E-03 2571 0.144E-01 0.407E-01 DAV: 58 -0.242864578510E+04 -0.40939E-03 -0.11674E-03 1941 0.256E-02 0.372E-01 DAV: 59 -0.242864705345E+04 -0.12684E-02 -0.50858E-05 1797 0.246E-02 0.333E-01 DAV: 60 -0.242865164703E+04 -0.45936E-02 -0.10319E-03 2679 0.115E-01 0.205E-01 DAV: 61 -0.242865469973E+04 -0.30527E-02 -0.22074E-03 2328 0.106E-01 0.182E-01 DAV: 62 -0.242865449737E+04 0.20236E-03 -0.14955E-03 1932 0.378E-02 0.203E-01 DAV: 63 -0.242865509120E+04 -0.59383E-03 -0.26938E-05 1788 0.215E-02 0.197E-01 DAV: 64 -0.242865568582E+04 -0.59462E-03 -0.88312E-05 2211 0.228E-02 0.197E-01 DAV: 65 -0.242865571096E+04 -0.25142E-04 -0.84795E-05 1869 0.876E-03 0.204E-01 DAV: 66 -0.242865695485E+04 -0.12439E-02 -0.82973E-05 2373 0.447E-02 0.201E-01 DAV: 67 -0.242865635058E+04 0.60427E-03 -0.54354E-05 2058 0.235E-02 0.205E-01 DAV: 68 -0.242865630338E+04 0.47199E-04 -0.31111E-05 1824 0.585E-03 0.202E-01 DAV: 69 -0.242865622503E+04 0.78355E-04 -0.27460E-06 1113 0.354E-03 0.202E-01 DAV: 70 -0.242865630006E+04 -0.75026E-04 -0.22758E-06 1041 0.311E-03 0.200E-01 DAV: 71 -0.242865690382E+04 -0.60376E-03 -0.18721E-05 1662 0.215E-02 0.197E-01 DAV: 72 -0.242865546607E+04 0.14377E-02 -0.56355E-05 2094 0.507E-02 0.201E-01 DAV: 73 -0.242865511434E+04 0.35173E-03 -0.14994E-04 1950 0.157E-02 0.197E-01 DAV: 74 -0.242865538106E+04 -0.26671E-03 -0.35092E-05 1923 0.104E-02 0.192E-01 DAV: 75 -0.242865534527E+04 0.35784E-04 -0.25809E-06 1014 0.219E-03 0.193E-01 DAV: 76 -0.242865537244E+04 -0.27172E-04 -0.74347E-07 951 0.123E-03 0.193E-01 DAV: 77 -0.242865661330E+04 -0.12409E-02 -0.87783E-05 2247 0.459E-02 0.184E-01 DAV: 78 -0.242865715676E+04 -0.54346E-03 -0.22133E-04 2013 0.229E-02 0.191E-01 DAV: 79 -0.242865723780E+04 -0.81036E-04 -0.75716E-05 1887 0.907E-03 0.195E-01 DAV: 80 -0.242865754146E+04 -0.30366E-03 -0.48397E-06 1473 0.105E-02 0.195E-01 DAV: 81 -0.242865704690E+04 0.49455E-03 -0.52260E-06 1491 0.166E-02 0.196E-01 DAV: 82 -0.242865328592E+04 0.37610E-02 -0.71225E-04 2652 0.129E-01 0.220E-01 DAV: 83 -0.242865294842E+04 0.33749E-03 -0.14367E-03 1959 0.315E-02 0.203E-01 DAV: 84 -0.242865327588E+04 -0.32746E-03 -0.57202E-05 1941 0.127E-02 0.195E-01 DAV: 85 -0.242865327327E+04 0.26099E-05 -0.84052E-06 1194 0.276E-03 2 F= -.24286533E+04 E0= -.24286677E+04 d E =0.150990E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882685474E+04 -0.17358E+00 -0.13899E+01 1704 0.452E+00 0.163E+00 DAV: 2 -0.242885986581E+04 -0.33011E-01 -0.50405E-01 2067 0.797E-01 0.689E-01 DAV: 3 -0.242884978004E+04 0.10086E-01 -0.32287E-02 2085 0.255E-01 0.413E-01 DAV: 4 -0.242884639309E+04 0.33869E-02 -0.20839E-02 2094 0.196E-01 0.234E-01 DAV: 5 -0.242884516664E+04 0.12265E-02 -0.92968E-03 2058 0.127E-01 0.104E-01 DAV: 6 -0.242884491467E+04 0.25197E-03 -0.23188E-03 2049 0.791E-02 0.853E-02 DAV: 7 -0.242884476030E+04 0.15437E-03 -0.39850E-04 2085 0.366E-02 0.560E-02 DAV: 8 -0.242884461472E+04 0.14558E-03 -0.81550E-05 2013 0.311E-02 0.254E-02 DAV: 9 -0.242884453671E+04 0.78009E-04 -0.12233E-04 2184 0.378E-02 0.138E-02 DAV: 10 -0.242884454016E+04 -0.34503E-05 -0.21983E-04 2049 0.242E-02 0.165E-02 DAV: 11 -0.242884454137E+04 -0.12065E-05 -0.45491E-05 1653 0.771E-03 3 F= -.24288445E+04 E0= -.24288533E+04 d E =-.402784E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242884647804E+04 -0.19379E-02 -0.31039E+00 1704 0.214E+00 0.609E-01 DAV: 2 -0.242885273590E+04 -0.62579E-02 -0.98237E-02 2058 0.345E-01 0.310E-01 DAV: 3 -0.242885119835E+04 0.15375E-02 -0.10089E-02 2112 0.105E-01 0.181E-01 DAV: 4 -0.242885075808E+04 0.44027E-03 -0.33040E-03 2031 0.594E-02 0.101E-01 DAV: 5 -0.242885057870E+04 0.17939E-03 -0.96594E-04 2067 0.405E-02 0.367E-02 DAV: 6 -0.242885056655E+04 0.12149E-04 -0.25667E-04 2076 0.260E-02 0.239E-02 DAV: 7 -0.242885056064E+04 0.59109E-05 -0.83379E-05 2040 0.132E-02 4 F= -.24288506E+04 E0= -.24288599E+04 d E =-.601927E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242885277451E+04 -0.22080E-02 -0.39978E-01 1704 0.768E-01 0.213E-01 DAV: 2 -0.242885354712E+04 -0.77261E-03 -0.11981E-02 2049 0.122E-01 0.109E-01 DAV: 3 -0.242885338268E+04 0.16444E-03 -0.13877E-03 2112 0.362E-02 0.673E-02 DAV: 4 -0.242885332200E+04 0.60686E-04 -0.42537E-04 2058 0.209E-02 0.372E-02 DAV: 5 -0.242885330222E+04 0.19772E-04 -0.12691E-04 2040 0.137E-02 0.126E-02 DAV: 6 -0.242885330269E+04 -0.47134E-06 -0.27827E-05 1572 0.787E-03 5 F= -.24288533E+04 E0= -.24288625E+04 d E =-.876133E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242885844222E+04 -0.51400E-02 -0.23353E+00 1704 0.186E+00 0.427E-01 DAV: 2 -0.242886252188E+04 -0.40797E-02 -0.61374E-02 2058 0.271E-01 0.226E-01 DAV: 3 -0.242886177190E+04 0.74998E-03 -0.59071E-03 2103 0.722E-02 0.136E-01 DAV: 4 -0.242886152806E+04 0.24384E-03 -0.15308E-03 2040 0.404E-02 0.804E-02 DAV: 5 -0.242886142106E+04 0.10700E-03 -0.66299E-04 2049 0.338E-02 0.259E-02 DAV: 6 -0.242886141931E+04 0.17496E-05 -0.16236E-04 2067 0.194E-02 0.184E-02 DAV: 7 -0.242886141396E+04 0.53564E-05 -0.53722E-05 1986 0.112E-02 6 F= -.24288614E+04 E0= -.24288712E+04 d E =-.811126E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242886140990E+04 0.94152E-05 -0.15121E-03 1824 0.480E-02 0.146E-02 DAV: 2 -0.242886141006E+04 -0.16818E-06 -0.50914E-05 1842 0.900E-03 7 F= -.24288614E+04 E0= -.24288713E+04 d E =-.810737E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242886458948E+04 -0.31796E-02 -0.16488E+00 1704 0.155E+00 0.329E-01 DAV: 2 -0.242886758688E+04 -0.29974E-02 -0.39059E-02 2049 0.220E-01 0.166E-01 DAV: 3 -0.242886720917E+04 0.37772E-03 -0.11023E-03 2076 0.466E-02 0.104E-01 DAV: 4 -0.242886703995E+04 0.16922E-03 -0.88600E-04 2040 0.428E-02 0.446E-02 DAV: 5 -0.242886702328E+04 0.16667E-04 -0.38815E-04 2166 0.237E-02 0.315E-02 DAV: 6 -0.242886701162E+04 0.11659E-04 -0.10911E-04 2031 0.131E-02 0.190E-02 DAV: 7 -0.242886700121E+04 0.10413E-04 -0.24704E-05 1671 0.101E-02 0.969E-03 DAV: 8 -0.242886699426E+04 0.69525E-05 -0.11371E-05 1464 0.813E-03 8 F= -.24288670E+04 E0= -.24288777E+04 d E =-.558419E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242886698814E+04 0.13069E-04 -0.69772E-04 1896 0.329E-02 0.812E-03 DAV: 2 -0.242886698801E+04 0.13455E-06 -0.32405E-05 1788 0.734E-03 9 F= -.24288670E+04 E0= -.24288778E+04 d E =-.557794E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242886950728E+04 -0.25191E-02 -0.89336E-01 1704 0.112E+00 0.240E-01 DAV: 2 -0.242887123042E+04 -0.17231E-02 -0.21648E-02 2049 0.161E-01 0.127E-01 DAV: 3 -0.242887101962E+04 0.21080E-03 -0.11699E-03 2130 0.374E-02 0.830E-02 DAV: 4 -0.242887095049E+04 0.69129E-04 -0.73814E-04 2103 0.260E-02 0.518E-02 DAV: 5 -0.242887091245E+04 0.38041E-04 -0.28159E-04 2067 0.194E-02 0.151E-02 DAV: 6 -0.242887091310E+04 -0.64539E-06 -0.56668E-05 1977 0.108E-02 10 F= -.24288709E+04 E0= -.24288814E+04 d E =-.392509E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242887098036E+04 -0.67905E-04 -0.59130E-02 1716 0.289E-01 0.648E-02 DAV: 2 -0.242887109809E+04 -0.11774E-03 -0.14746E-03 2049 0.421E-02 0.327E-02 DAV: 3 -0.242887108220E+04 0.15891E-04 -0.71073E-05 1743 0.103E-02 0.214E-02 DAV: 4 -0.242887107592E+04 0.62775E-05 -0.53442E-05 1491 0.828E-03 11 F= -.24288711E+04 E0= -.24288814E+04 d E =-.408792E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242887346484E+04 -0.23826E-02 -0.67181E-01 1704 0.969E-01 0.218E-01 DAV: 2 -0.242887466070E+04 -0.11959E-02 -0.14744E-02 2022 0.131E-01 0.995E-02 DAV: 3 -0.242887452481E+04 0.13590E-03 -0.35040E-04 2076 0.263E-02 0.601E-02 DAV: 4 -0.242887447729E+04 0.47520E-04 -0.30028E-04 2076 0.256E-02 0.246E-02 DAV: 5 -0.242887447665E+04 0.63187E-06 -0.14517E-04 2067 0.122E-02 0.170E-02 DAV: 6 -0.242887447407E+04 0.25870E-05 -0.21270E-05 1284 0.595E-03 12 F= -.24288745E+04 E0= -.24288851E+04 d E =-.339814E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242887467631E+04 -0.19966E-03 -0.31500E-01 1704 0.664E-01 0.151E-01 DAV: 2 -0.242887524490E+04 -0.56859E-03 -0.69750E-03 2049 0.903E-02 0.676E-02 DAV: 3 -0.242887517737E+04 0.67527E-04 -0.16084E-04 2067 0.187E-02 0.407E-02 DAV: 4 -0.242887514866E+04 0.28712E-04 -0.13915E-04 2076 0.194E-02 0.159E-02 DAV: 5 -0.242887514732E+04 0.13318E-05 -0.74588E-05 1950 0.970E-03 13 F= -.24288751E+04 E0= -.24288862E+04 d E =-.407140E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242887688079E+04 -0.17321E-02 -0.78419E-01 1704 0.105E+00 0.219E-01 DAV: 2 -0.242887830101E+04 -0.14202E-02 -0.17875E-02 2040 0.144E-01 0.114E-01 DAV: 3 -0.242887815092E+04 0.15009E-03 -0.77946E-04 2085 0.310E-02 0.734E-02 DAV: 4 -0.242887810946E+04 0.41460E-04 -0.62816E-04 2184 0.244E-02 0.503E-02 DAV: 5 -0.242887807640E+04 0.33058E-04 -0.30952E-04 2103 0.165E-02 0.157E-02 DAV: 6 -0.242887807484E+04 0.15621E-05 -0.42385E-05 1770 0.916E-03 14 F= -.24288781E+04 E0= -.24288897E+04 d E =-.292751E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242887813368E+04 -0.57279E-04 -0.10749E-01 1704 0.388E-01 0.830E-02 DAV: 2 -0.242887833202E+04 -0.19834E-03 -0.24771E-03 2049 0.537E-02 0.419E-02 DAV: 3 -0.242887830946E+04 0.22559E-04 -0.10695E-04 2076 0.119E-02 0.273E-02 DAV: 4 -0.242887830026E+04 0.91970E-05 -0.91520E-05 1635 0.102E-02 15 F= -.24288783E+04 E0= -.24288903E+04 d E =-.315294E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242887978458E+04 -0.14751E-02 -0.64352E-01 1704 0.957E-01 0.214E-01 DAV: 2 -0.242888098975E+04 -0.12052E-02 -0.15669E-02 2049 0.134E-01 0.112E-01 DAV: 3 -0.242888086337E+04 0.12638E-03 -0.10319E-03 2076 0.303E-02 0.741E-02 DAV: 4 -0.242888081801E+04 0.45358E-04 -0.63701E-04 2139 0.222E-02 0.492E-02 DAV: 5 -0.242888079382E+04 0.24194E-04 -0.27800E-04 2049 0.170E-02 0.145E-02 DAV: 6 -0.242888079436E+04 -0.53929E-06 -0.42537E-05 1734 0.869E-03 16 F= -.24288808E+04 E0= -.24288929E+04 d E =-.249409E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242888083434E+04 -0.40523E-04 -0.71488E-02 1704 0.319E-01 0.735E-02 DAV: 2 -0.242888097375E+04 -0.13941E-03 -0.17652E-03 2049 0.450E-02 0.372E-02 DAV: 3 -0.242888095871E+04 0.15042E-04 -0.11072E-04 1905 0.105E-02 0.247E-02 DAV: 4 -0.242888095244E+04 0.62661E-05 -0.76349E-05 1455 0.834E-03 17 F= -.24288810E+04 E0= -.24288930E+04 d E =-.265218E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242888229273E+04 -0.13340E-02 -0.67177E-01 1704 0.975E-01 0.205E-01 DAV: 2 -0.242888352421E+04 -0.12315E-02 -0.15784E-02 2031 0.134E-01 0.113E-01 DAV: 3 -0.242888340334E+04 0.12088E-03 -0.11045E-03 2085 0.302E-02 0.767E-02 DAV: 4 -0.242888334967E+04 0.53666E-04 -0.66632E-04 2094 0.220E-02 0.486E-02 DAV: 5 -0.242888331240E+04 0.37267E-04 -0.25176E-04 2040 0.189E-02 0.157E-02 DAV: 6 -0.242888330381E+04 0.85908E-05 -0.53710E-05 2013 0.111E-02 18 F= -.24288833E+04 E0= -.24288965E+04 d E =-.235137E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242888331313E+04 -0.72515E-06 -0.10810E-01 1704 0.391E-01 0.866E-02 DAV: 2 -0.242888347956E+04 -0.16643E-03 -0.26695E-03 2031 0.571E-02 0.491E-02 DAV: 3 -0.242888341690E+04 0.62663E-04 -0.27029E-04 2130 0.190E-02 0.398E-02 DAV: 4 -0.242888334909E+04 0.67807E-04 -0.12654E-04 2076 0.161E-02 0.315E-02 DAV: 5 -0.242888326024E+04 0.88853E-04 -0.35716E-05 1887 0.159E-02 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2247 0.455E-02 0.529E-02 DAV: 6 -0.242888519321E+04 -0.13889E-03 -0.21840E-04 1977 0.187E-02 0.459E-02 DAV: 7 -0.242888522198E+04 -0.28766E-04 -0.33474E-05 1779 0.838E-03 0.441E-02 DAV: 8 -0.242888560258E+04 -0.38060E-03 -0.46744E-04 2688 0.593E-02 0.557E-02 DAV: 9 -0.242888591956E+04 -0.31698E-03 -0.90666E-04 2085 0.518E-02 0.876E-02 DAV: 10 -0.242888596917E+04 -0.49613E-04 -0.32978E-04 1950 0.185E-02 0.106E-01 DAV: 11 -0.242888599377E+04 -0.24595E-04 -0.70634E-06 1509 0.793E-03 0.970E-02 DAV: 12 -0.242888596958E+04 0.24185E-04 -0.30895E-06 1365 0.563E-03 0.102E-01 DAV: 13 -0.242888607692E+04 -0.10734E-03 -0.18332E-05 1797 0.216E-02 0.912E-02 DAV: 14 -0.242888664456E+04 -0.56763E-03 -0.49541E-04 2526 0.858E-02 0.953E-02 DAV: 15 -0.242888644651E+04 0.19804E-03 -0.34332E-04 1950 0.327E-02 0.112E-01 DAV: 16 -0.242888646438E+04 -0.17871E-04 -0.50441E-05 1869 0.608E-03 0.110E-01 DAV: 17 -0.242888656967E+04 -0.10529E-03 -0.33210E-06 1455 0.140E-02 0.109E-01 DAV: 18 -0.242888651981E+04 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-0.242888589768E+04 -0.44272E-03 -0.10300E-03 2535 0.808E-02 0.666E-02 DAV: 8 -0.242888628205E+04 -0.38436E-03 -0.14073E-03 2049 0.534E-02 0.116E-01 DAV: 9 -0.242888642930E+04 -0.14725E-03 -0.20875E-04 2013 0.230E-02 0.131E-01 DAV: 10 -0.242888667275E+04 -0.24346E-03 -0.12309E-04 2229 0.289E-02 0.150E-01 DAV: 11 -0.242888559543E+04 0.10773E-02 -0.78406E-04 2733 0.125E-01 0.113E-01 DAV: 12 -0.242888600065E+04 -0.40522E-03 -0.31486E-04 2022 0.430E-02 0.101E-01 DAV: 13 -0.242888636852E+04 -0.36787E-03 -0.27398E-04 2517 0.489E-02 0.127E-01 DAV: 14 -0.242888665593E+04 -0.28741E-03 -0.46839E-04 2067 0.351E-02 0.152E-01 DAV: 15 -0.242888706431E+04 -0.40838E-03 -0.13598E-04 2634 0.439E-02 0.171E-01 DAV: 16 -0.242888741839E+04 -0.35407E-03 -0.47782E-04 2031 0.342E-02 0.201E-01 DAV: 17 -0.242888758114E+04 -0.16276E-03 -0.12203E-04 2004 0.166E-02 0.217E-01 DAV: 18 -0.242888727280E+04 0.30835E-03 -0.22924E-05 1824 0.221E-02 0.208E-01 DAV: 19 -0.242888707323E+04 0.19957E-03 -0.10676E-04 1995 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-0.28287E-03 2157 0.460E-02 0.103E-01 DAV: 4 -0.242888653375E+04 0.35660E-03 -0.83364E-04 2166 0.348E-02 0.786E-02 DAV: 5 -0.242888613804E+04 0.39572E-03 -0.25186E-04 2094 0.310E-02 0.883E-02 DAV: 6 -0.242888686247E+04 -0.72444E-03 -0.34806E-04 2571 0.670E-02 0.538E-02 DAV: 7 -0.242888716914E+04 -0.30666E-03 -0.10672E-03 2202 0.519E-02 0.426E-02 DAV: 8 -0.242888736912E+04 -0.19998E-03 -0.44542E-04 2265 0.416E-02 0.393E-02 DAV: 9 -0.242888752600E+04 -0.15688E-03 -0.84702E-05 2229 0.369E-02 0.364E-02 DAV: 10 -0.242888769285E+04 -0.16685E-03 -0.15834E-04 2148 0.399E-02 0.387E-02 DAV: 11 -0.242888761024E+04 0.82612E-04 -0.22545E-04 2040 0.256E-02 0.486E-02 DAV: 12 -0.242888759664E+04 0.13604E-04 -0.26198E-05 1725 0.508E-03 0.466E-02 DAV: 13 -0.242888760674E+04 -0.10108E-04 -0.24984E-06 1014 0.263E-03 0.454E-02 DAV: 14 -0.242888760332E+04 0.34265E-05 -0.10917E-05 1059 0.484E-03 22 F= -.24288876E+04 E0= -.24288989E+04 d E =-.215233E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242888761923E+04 -0.12485E-04 -0.13762E-02 1716 0.139E-01 0.601E-02 DAV: 2 -0.242888754123E+04 0.77993E-04 -0.71794E-04 2112 0.352E-02 0.377E-02 DAV: 3 -0.242888748491E+04 0.56324E-04 -0.34631E-04 2013 0.192E-02 0.315E-02 DAV: 4 -0.242888741318E+04 0.71730E-04 -0.74368E-05 1950 0.157E-02 0.248E-02 DAV: 5 -0.242888737214E+04 0.41045E-04 -0.48095E-05 1968 0.111E-02 0.254E-02 DAV: 6 -0.242888739116E+04 -0.19020E-04 -0.15118E-05 1419 0.489E-03 0.279E-02 DAV: 7 -0.242888740862E+04 -0.17468E-04 -0.22112E-06 1302 0.405E-03 0.282E-02 DAV: 8 -0.242888776437E+04 -0.35574E-03 -0.36258E-04 2724 0.998E-02 0.349E-02 DAV: 9 -0.242888795735E+04 -0.19298E-03 -0.10220E-03 1986 0.330E-02 0.483E-02 DAV: 10 -0.242888778023E+04 0.17711E-03 -0.12863E-04 2085 0.349E-02 0.459E-02 DAV: 11 -0.242888707333E+04 0.70690E-03 -0.80247E-04 2598 0.124E-01 0.645E-02 DAV: 12 -0.242888678394E+04 0.28939E-03 -0.17193E-03 2049 0.599E-02 0.768E-02 DAV: 13 -0.242888715948E+04 -0.37554E-03 -0.43597E-04 2067 0.446E-02 0.483E-02 DAV: 14 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0.12966E-03 -0.12923E-04 2058 0.149E-02 0.119E-01 DAV: 11 -0.242889439634E+04 0.66826E-03 -0.92218E-05 2265 0.545E-02 0.115E-01 DAV: 12 -0.242889166462E+04 0.27317E-02 -0.17081E-03 2634 0.199E-01 0.186E-01 DAV: 13 -0.242889118768E+04 0.47694E-03 -0.35644E-03 1995 0.621E-02 0.199E-01 DAV: 14 -0.242889148476E+04 -0.29708E-03 -0.34978E-04 1959 0.215E-02 0.181E-01 DAV: 15 -0.242889189740E+04 -0.41263E-03 -0.28906E-05 1752 0.224E-02 0.161E-01 DAV: 16 -0.242889304721E+04 -0.11498E-02 -0.42447E-04 2823 0.857E-02 0.115E-01 DAV: 17 -0.242889343006E+04 -0.38285E-03 -0.95642E-04 2040 0.388E-02 0.120E-01 DAV: 18 -0.242889345492E+04 -0.24863E-04 -0.14744E-04 1914 0.121E-02 0.125E-01 DAV: 19 -0.242889351812E+04 -0.63201E-04 -0.20698E-06 1428 0.603E-03 0.123E-01 DAV: 20 -0.242889354982E+04 -0.31700E-04 -0.12674E-05 1158 0.411E-03 0.127E-01 DAV: 21 -0.242889355043E+04 -0.60524E-06 -0.41312E-06 960 0.230E-03 30 F= -.24288936E+04 E0= -.24289061E+04 d E =-.132277E-03 N E dE d eps ncg rms rms(c) DAV: 1 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0.213E-02 0.845E-02 DAV: 55 -0.242890847002E+04 -0.36627E-04 -0.66047E-05 1914 0.900E-03 0.816E-02 DAV: 56 -0.242890847046E+04 -0.44011E-06 -0.13230E-06 1032 0.121E-03 63 F= -.24289085E+04 E0= -.24289209E+04 d E =-.149018E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242890735554E+04 0.11145E-02 -0.12273E-01 1914 0.436E-01 0.206E-01 DAV: 2 -0.242890576849E+04 0.15871E-02 -0.10291E-02 2049 0.141E-01 0.176E-01 DAV: 3 -0.242890441196E+04 0.13565E-02 -0.27263E-03 2022 0.675E-02 0.211E-01 DAV: 4 -0.242890616455E+04 -0.17526E-02 -0.17213E-03 2400 0.571E-02 0.170E-01 DAV: 5 -0.242890773388E+04 -0.15693E-02 -0.19752E-03 2490 0.107E-01 0.898E-02 DAV: 6 -0.242890854042E+04 -0.80654E-03 -0.29294E-03 2049 0.749E-02 0.916E-02 DAV: 7 -0.242890882499E+04 -0.28457E-03 -0.45081E-04 2031 0.323E-02 0.866E-02 DAV: 8 -0.242890942420E+04 -0.59921E-03 -0.18800E-04 2481 0.603E-02 0.806E-02 DAV: 9 -0.242891025932E+04 -0.83512E-03 -0.65450E-04 2337 0.761E-02 0.960E-02 DAV: 10 -0.242890960844E+04 0.65088E-03 -0.47864E-04 2049 0.601E-02 0.969E-02 DAV: 11 -0.242890960253E+04 0.59085E-05 -0.11458E-04 1896 0.803E-03 0.926E-02 DAV: 12 -0.242890954844E+04 0.54093E-04 -0.22881E-06 1383 0.493E-03 0.922E-02 DAV: 13 -0.242890874063E+04 0.80781E-03 -0.26601E-04 2589 0.743E-02 0.999E-02 DAV: 14 -0.242890598430E+04 0.27563E-02 -0.18090E-03 2562 0.167E-01 0.213E-01 DAV: 15 -0.242890596510E+04 0.19196E-04 -0.32392E-03 1932 0.483E-02 0.196E-01 DAV: 16 -0.242890570397E+04 0.26113E-03 -0.51164E-05 2067 0.128E-02 0.211E-01 DAV: 17 -0.242890610339E+04 -0.39942E-03 -0.31673E-05 1887 0.165E-02 0.184E-01 DAV: 18 -0.242890686868E+04 -0.76529E-03 -0.12903E-04 2301 0.386E-02 0.134E-01 DAV: 19 -0.242890712994E+04 -0.26126E-03 -0.47090E-04 2049 0.282E-02 0.125E-01 DAV: 20 -0.242890718874E+04 -0.58796E-04 -0.12119E-04 1941 0.117E-02 0.129E-01 DAV: 21 -0.242890741068E+04 -0.22195E-03 -0.61923E-06 1536 0.131E-02 0.119E-01 DAV: 22 -0.242890771559E+04 -0.30490E-03 -0.10709E-04 2193 0.208E-02 0.118E-01 DAV: 23 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0.346E-01 DAV: 9 -0.242891858451E+04 0.95633E-03 -0.33210E-04 2139 0.328E-02 0.311E-01 DAV: 10 -0.242891330623E+04 0.52783E-02 -0.73950E-03 2814 0.235E-01 0.242E-01 DAV: 11 -0.242891348345E+04 -0.17721E-03 -0.23583E-02 2049 0.211E-01 0.519E-01 DAV: 12 -0.242891360297E+04 -0.11952E-03 -0.32921E-03 1914 0.620E-02 0.514E-01 DAV: 13 -0.242891360024E+04 0.27218E-05 -0.65156E-05 2058 0.801E-03 71 F= -.24289136E+04 E0= -.24289287E+04 d E =0.129647E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242891448928E+04 -0.88632E-03 -0.10885E-01 1713 0.396E-01 0.509E-01 DAV: 2 -0.242891273106E+04 0.17582E-02 -0.12701E-02 2067 0.111E-01 0.298E-01 DAV: 3 -0.242891140794E+04 0.13231E-02 -0.21515E-02 2634 0.104E-01 0.294E-01 DAV: 4 -0.242890758229E+04 0.38256E-02 -0.49979E-03 2319 0.972E-02 0.248E-01 DAV: 5 -0.242891129801E+04 -0.37157E-02 -0.21278E-03 2553 0.118E-01 0.141E-01 DAV: 6 -0.242891259838E+04 -0.13004E-02 -0.35349E-03 2085 0.854E-02 0.111E-01 DAV: 7 -0.242891364159E+04 -0.10432E-02 -0.12124E-03 2292 0.728E-02 0.116E-01 DAV: 8 -0.242891460334E+04 -0.96175E-03 -0.52104E-04 2319 0.750E-02 0.118E-01 DAV: 9 -0.242891559054E+04 -0.98720E-03 -0.93520E-04 2148 0.700E-02 0.142E-01 DAV: 10 -0.242891526121E+04 0.32933E-03 -0.67025E-04 2013 0.331E-02 0.157E-01 DAV: 11 -0.242891461805E+04 0.64316E-03 -0.19020E-04 2256 0.413E-02 0.140E-01 DAV: 12 -0.242891405452E+04 0.56352E-03 -0.37975E-04 2346 0.443E-02 0.125E-01 DAV: 13 -0.242891223670E+04 0.18178E-02 -0.38511E-04 2805 0.114E-01 0.157E-01 DAV: 14 -0.242891134353E+04 0.89317E-03 -0.19071E-03 2049 0.622E-02 0.170E-01 DAV: 15 -0.242891114703E+04 0.19650E-03 -0.56301E-04 2031 0.267E-02 0.167E-01 DAV: 16 -0.242891111697E+04 0.30060E-04 -0.13435E-05 1401 0.366E-03 0.167E-01 DAV: 17 -0.242891111434E+04 0.26322E-05 -0.13971E-06 1050 0.120E-03 72 F= -.24289111E+04 E0= -.24289293E+04 d E =0.248591E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242891123230E+04 -0.11533E-03 -0.44417E-02 1725 0.253E-01 0.167E-01 DAV: 2 -0.242890836836E+04 0.28639E-02 -0.37608E-03 2481 0.110E-01 0.237E-01 DAV: 3 -0.242891128081E+04 -0.29124E-02 -0.17307E-03 2409 0.845E-02 0.185E-01 DAV: 4 -0.242891270558E+04 -0.14248E-02 -0.65173E-03 2634 0.104E-01 0.118E-01 DAV: 5 -0.242891373108E+04 -0.10255E-02 -0.20715E-03 2103 0.847E-02 0.128E-01 DAV: 6 -0.242891402026E+04 -0.28919E-03 -0.10421E-03 1977 0.357E-02 0.147E-01 DAV: 7 -0.242891401247E+04 0.77965E-05 -0.22891E-05 1599 0.549E-03 73 F= -.24289140E+04 E0= -.24289256E+04 d E =-.412222E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.242891427961E+04 -0.25935E-03 -0.67426E-03 1770 0.994E-02 0.173E-01 DAV: 2 -0.242891298738E+04 0.12922E-02 -0.30802E-03 2805 0.919E-02 0.118E-01 DAV: 3 -0.242891227167E+04 0.71571E-03 -0.34860E-03 2058 0.695E-02 0.122E-01 DAV: 4 -0.242891136472E+04 0.90695E-03 -0.96593E-04 2247 0.530E-02 0.123E-01 DAV: 5 -0.242891304005E+04 -0.16753E-02 -0.75299E-04 2454 0.944E-02 0.869E-02 DAV: 6 -0.242891480100E+04 -0.17609E-02 -0.36227E-03 2517 0.153E-01 0.105E-01 DAV: 7 -0.242891454020E+04 0.26080E-03 -0.22390E-03 1977 0.541E-02 0.126E-01 DAV: 8 -0.242891467543E+04 -0.13524E-03 -0.11232E-04 1995 0.131E-02 0.126E-01 DAV: 9 -0.242891472877E+04 -0.53335E-04 -0.11116E-05 1419 0.559E-03 0.127E-01 DAV: 10 -0.242891313140E+04 0.15974E-02 -0.56804E-04 2679 0.110E-01 0.137E-01 DAV: 11 -0.242890302216E+04 0.10109E-01 -0.10078E-02 2769 0.324E-01 0.457E-01 DAV: 12 -0.242890808596E+04 -0.50638E-02 -0.81553E-03 1995 0.112E-01 0.317E-01 DAV: 13 -0.242890806685E+04 0.19112E-04 -0.70651E-04 1977 0.255E-02 0.311E-01 DAV: 14 -0.242890832939E+04 -0.26254E-03 -0.26192E-05 1761 0.939E-03 0.304E-01 DAV: 15 -0.242890868919E+04 -0.35980E-03 -0.20225E-05 1644 0.102E-02 0.289E-01 DAV: 16 -0.242890985187E+04 -0.11627E-02 -0.14766E-04 2382 0.374E-02 0.231E-01 DAV: 17 -0.242891084953E+04 -0.99766E-03 -0.44112E-04 2220 0.458E-02 0.175E-01 DAV: 18 -0.242891153023E+04 -0.68071E-03 -0.55929E-04 2049 0.413E-02 0.133E-01 DAV: 19 -0.242891172065E+04 -0.19042E-03 -0.97088E-05 2022 0.153E-02 0.127E-01 DAV: 20 -0.242891192881E+04 -0.20815E-03 -0.20137E-05 1851 0.151E-02 0.121E-01 DAV: 21 -0.242891182310E+04 0.10571E-03 -0.23972E-05 1824 0.912E-03 0.125E-01 DAV: 22 -0.242891201509E+04 -0.19199E-03 0.17751E-06 1473 0.129E-02 0.117E-01 DAV: 23 -0.242891246747E+04 -0.45237E-03 -0.21384E-04 2400 0.347E-02 0.103E-01 DAV: 24 -0.242891260330E+04 -0.13584E-03 -0.19610E-04 2004 0.152E-02 0.106E-01 DAV: 25 -0.242891267364E+04 -0.70337E-04 -0.37750E-06 1428 0.685E-03 0.105E-01 DAV: 26 -0.242891269819E+04 -0.24553E-04 -0.10490E-05 1644 0.117E-02 0.109E-01 DAV: 27 -0.242891255044E+04 0.14775E-03 -0.13694E-06 1563 0.122E-02 0.112E-01 DAV: 28 -0.242891251860E+04 0.31838E-04 -0.13318E-04 2229 0.324E-02 0.145E-01 DAV: 29 -0.242891250285E+04 0.15755E-04 -0.70391E-05 1986 0.117E-02 0.136E-01 DAV: 30 -0.242891237367E+04 0.12918E-03 0.19083E-07 1383 0.898E-03 0.139E-01 DAV: 31 -0.242891236431E+04 0.93596E-05 -0.10041E-05 1176 0.282E-03 74 F= -.24289124E+04 E0= -.24289279E+04 d E =0.123594E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242891306668E+04 -0.69301E-03 -0.43682E-02 1704 0.254E-01 0.147E-01 DAV: 2 -0.242891219846E+04 0.86822E-03 -0.17384E-03 2229 0.660E-02 0.123E-01 DAV: 3 -0.242891148692E+04 0.71153E-03 -0.77693E-04 2067 0.413E-02 0.140E-01 DAV: 4 -0.242891270155E+04 -0.12146E-02 -0.12070E-03 2436 0.628E-02 0.124E-01 DAV: 5 -0.242891359693E+04 -0.89538E-03 -0.12844E-03 2409 0.898E-02 0.845E-02 DAV: 6 -0.242891425477E+04 -0.65784E-03 -0.17216E-03 2040 0.663E-02 0.932E-02 DAV: 7 -0.242891476328E+04 -0.50851E-03 -0.36331E-04 2166 0.500E-02 0.955E-02 DAV: 8 -0.242891590771E+04 -0.11444E-02 -0.59325E-04 2688 0.927E-02 0.117E-01 DAV: 9 -0.242891668586E+04 -0.77816E-03 -0.13050E-03 2058 0.546E-02 0.151E-01 DAV: 10 -0.242891351450E+04 0.31714E-02 -0.21792E-03 2472 0.217E-01 0.145E-01 DAV: 11 -0.242891133860E+04 0.21759E-02 -0.63547E-03 2337 0.156E-01 0.199E-01 DAV: 12 -0.242891192902E+04 -0.59042E-03 -0.28344E-03 1923 0.507E-02 0.142E-01 DAV: 13 -0.242891127606E+04 0.65296E-03 -0.55962E-05 2049 0.286E-02 0.182E-01 DAV: 14 -0.242891267253E+04 -0.13965E-02 -0.15618E-04 2391 0.715E-02 0.999E-02 DAV: 15 -0.242891344909E+04 -0.77656E-03 -0.56795E-04 2256 0.605E-02 0.748E-02 DAV: 16 -0.242891427316E+04 -0.82407E-03 -0.54874E-04 2328 0.849E-02 0.650E-02 DAV: 17 -0.242891517684E+04 -0.90368E-03 -0.10307E-03 2265 0.846E-02 0.843E-02 DAV: 18 -0.242891535125E+04 -0.17441E-03 -0.10444E-03 1923 0.319E-02 0.948E-02 DAV: 19 -0.242891535875E+04 -0.75016E-05 -0.11981E-05 1572 0.355E-03 75 F= -.24289154E+04 E0= -.24289253E+04 d E =-.299444E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.242891537188E+04 -0.20632E-04 -0.15554E-06 1086 0.164E-03 0.954E-02 DAV: 2 -0.242891465140E+04 0.72048E-03 -0.12478E-03 2733 0.620E-02 0.710E-02 DAV: 3 -0.242891431090E+04 0.34050E-03 -0.13771E-03 2067 0.426E-02 0.628E-02 DAV: 4 -0.242891372545E+04 0.58545E-03 -0.30891E-04 2373 0.554E-02 0.547E-02 DAV: 5 -0.242891456232E+04 -0.83687E-03 -0.34577E-04 2346 0.755E-02 0.559E-02 DAV: 6 -0.242891556680E+04 -0.10045E-02 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-0.242891847058E+04 -0.16103E-03 -0.81487E-06 1329 0.699E-03 0.189E-01 DAV: 20 -0.242891853737E+04 -0.66786E-04 -0.47899E-06 1311 0.319E-03 0.190E-01 DAV: 21 -0.242891791181E+04 0.62555E-03 -0.31723E-05 1878 0.275E-02 0.178E-01 DAV: 22 -0.242891733005E+04 0.58176E-03 -0.17772E-04 2238 0.299E-02 0.160E-01 DAV: 23 -0.242891695165E+04 0.37840E-03 -0.16316E-04 2130 0.240E-02 0.145E-01 DAV: 24 -0.242891659557E+04 0.35608E-03 -0.31077E-05 1797 0.217E-02 0.138E-01 DAV: 25 -0.242891636951E+04 0.22606E-03 -0.10324E-04 1986 0.173E-02 0.128E-01 DAV: 26 -0.242891561452E+04 0.75499E-03 -0.10544E-04 2409 0.491E-02 0.113E-01 DAV: 27 -0.242891480704E+04 0.80748E-03 -0.44657E-04 2328 0.617E-02 0.997E-02 DAV: 28 -0.242891428101E+04 0.52603E-03 -0.66838E-04 2220 0.545E-02 0.852E-02 DAV: 29 -0.242891392004E+04 0.36096E-03 -0.44378E-04 2238 0.436E-02 0.771E-02 DAV: 30 -0.242891383716E+04 0.82883E-04 -0.18434E-04 2022 0.170E-02 0.764E-02 DAV: 31 -0.242891357757E+04 0.25959E-03 -0.26374E-05 1860 0.232E-02 0.824E-02 DAV: 32 -0.242891389603E+04 -0.31846E-03 -0.20826E-05 1914 0.282E-02 0.731E-02 DAV: 33 -0.242891413459E+04 -0.23857E-03 -0.69907E-05 2085 0.231E-02 0.722E-02 DAV: 34 -0.242891428389E+04 -0.14930E-03 -0.81376E-05 2067 0.169E-02 0.745E-02 DAV: 35 -0.242891474560E+04 -0.46170E-03 -0.43896E-05 2112 0.441E-02 0.746E-02 DAV: 36 -0.242891532722E+04 -0.58163E-03 -0.34646E-04 2283 0.512E-02 0.868E-02 DAV: 37 -0.242891564079E+04 -0.31357E-03 -0.50499E-04 2031 0.297E-02 0.102E-01 DAV: 38 -0.242891569431E+04 -0.53512E-04 -0.65337E-05 1896 0.883E-03 0.103E-01 DAV: 39 -0.242891558342E+04 0.11089E-03 -0.89745E-07 1356 0.783E-03 0.102E-01 DAV: 40 -0.242891527360E+04 0.30982E-03 -0.37309E-05 1914 0.235E-02 0.956E-02 DAV: 41 -0.242891473010E+04 0.54350E-03 -0.15806E-04 2346 0.447E-02 0.881E-02 DAV: 42 -0.242891478598E+04 -0.55882E-04 -0.23029E-04 1905 0.129E-02 0.811E-02 DAV: 43 -0.242891483280E+04 -0.46825E-04 -0.19555E-06 1347 0.443E-03 0.813E-02 DAV: 44 -0.242891484581E+04 -0.13001E-04 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-0.242890510595E+04 -0.77333E-03 -0.20568E-04 2049 0.156E-02 0.621E-01 DAV: 37 -0.242890522830E+04 -0.12235E-03 -0.43034E-05 1914 0.765E-03 0.621E-01 DAV: 38 -0.242890546056E+04 -0.23227E-03 -0.92050E-05 1680 0.125E-02 0.617E-01 DAV: 39 -0.242890704717E+04 -0.15866E-02 -0.51193E-04 2238 0.458E-02 0.630E-01 DAV: 40 -0.242890760564E+04 -0.55847E-03 -0.75046E-04 2094 0.310E-02 0.650E-01 DAV: 41 -0.242890747383E+04 0.13180E-03 -0.84283E-05 1905 0.103E-02 0.651E-01 DAV: 42 -0.242890748878E+04 -0.14951E-04 -0.34705E-06 1005 0.199E-03 0.648E-01 DAV: 43 -0.242890665820E+04 0.83059E-03 -0.13565E-03 2202 0.265E-02 0.625E-01 DAV: 44 -0.242890562412E+04 0.10341E-02 -0.36895E-04 2040 0.300E-02 0.589E-01 DAV: 45 -0.242890646231E+04 -0.83819E-03 -0.69047E-05 2094 0.223E-02 0.609E-01 DAV: 46 -0.242891111656E+04 -0.46543E-02 -0.26326E-03 2616 0.117E-01 0.747E-01 DAV: 47 -0.242891680315E+04 -0.56866E-02 -0.93241E-03 2265 0.147E-01 0.909E-01 DAV: 48 -0.242892574182E+04 -0.89387E-02 -0.66849E-03 2256 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-0.242889320719E+04 -0.11445E-02 -0.18867E-04 2031 0.283E-02 0.483E-01 DAV: 75 -0.242889318093E+04 0.26259E-04 -0.12150E-03 2049 0.492E-02 0.451E-01 DAV: 76 -0.242889320542E+04 -0.24484E-04 -0.51199E-04 2049 0.279E-02 0.447E-01 DAV: 77 -0.242889084021E+04 0.23652E-02 -0.87370E-04 2094 0.415E-02 0.469E-01 DAV: 78 -0.242889127696E+04 -0.43676E-03 -0.13830E-04 1923 0.154E-02 0.464E-01 DAV: 79 -0.242889231867E+04 -0.10417E-02 -0.34919E-04 2130 0.346E-02 0.462E-01 DAV: 80 -0.242889237661E+04 -0.57942E-04 -0.29523E-04 2022 0.197E-02 0.475E-01 DAV: 81 -0.242889300707E+04 -0.63045E-03 -0.79430E-05 2067 0.154E-02 0.484E-01 DAV: 82 -0.242888963553E+04 0.33715E-02 -0.85109E-04 2364 0.684E-02 0.534E-01 DAV: 83 -0.242888849001E+04 0.11455E-02 -0.68509E-04 2022 0.313E-02 0.526E-01 DAV: 84 -0.242888856019E+04 -0.70180E-04 -0.20347E-04 1968 0.151E-02 0.507E-01 DAV: 85 -0.242888948470E+04 -0.92451E-03 -0.67942E-05 2058 0.183E-02 0.484E-01 DAV: 86 -0.242888970873E+04 -0.22403E-03 -0.53062E-05 1914 0.723E-03 0.484E-01 DAV: 87 -0.242889066477E+04 -0.95603E-03 -0.10232E-04 2094 0.179E-02 0.455E-01 DAV: 88 -0.242889339784E+04 -0.27331E-02 -0.22294E-04 2499 0.508E-02 0.435E-01 DAV: 89 -0.242889415777E+04 -0.75993E-03 -0.43432E-04 2022 0.267E-02 0.446E-01 DAV: 90 -0.242889425661E+04 -0.98838E-04 -0.70293E-05 1932 0.959E-03 0.448E-01 DAV: 91 -0.242889422536E+04 0.31250E-04 -0.10944E-05 1275 0.512E-03 0.443E-01 DAV: 92 -0.242889278072E+04 0.14446E-02 -0.28183E-03 2148 0.802E-02 0.447E-01 DAV: 93 -0.242889301298E+04 -0.23225E-03 -0.52700E-04 1932 0.224E-02 0.445E-01 DAV: 94 -0.242889302022E+04 -0.72448E-05 -0.10073E-05 1446 0.368E-03 82 F= -.24288930E+04 E0= -.24289381E+04 d E =0.237710E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242889327886E+04 -0.26588E-03 -0.15363E-03 1824 0.469E-02 0.441E-01 DAV: 2 -0.242887276945E+04 0.20509E-01 -0.18429E-02 3048 0.316E-01 0.496E-01 DAV: 3 -0.242887125432E+04 0.15151E-02 -0.11727E-02 1932 0.102E-01 0.445E-01 DAV: 4 -0.242887348524E+04 -0.22309E-02 -0.90871E-03 2292 0.122E-01 0.615E-01 DAV: 5 -0.242887378364E+04 -0.29840E-03 -0.15125E-03 1977 0.460E-02 0.598E-01 DAV: 6 -0.242888761464E+04 -0.13831E-01 -0.14447E-02 2292 0.277E-01 0.449E-01 DAV: 7 -0.242889789296E+04 -0.10278E-01 -0.16552E-02 2103 0.248E-01 0.552E-01 DAV: 8 -0.242890349396E+04 -0.56010E-02 -0.81721E-03 2085 0.135E-01 0.644E-01 DAV: 9 -0.242890812748E+04 -0.46335E-02 -0.37607E-04 2319 0.916E-02 0.674E-01 DAV: 10 -0.242891545380E+04 -0.73263E-02 -0.98849E-04 2364 0.133E-01 0.732E-01 DAV: 11 -0.242892186247E+04 -0.64087E-02 -0.21159E-03 2202 0.132E-01 0.782E-01 DAV: 12 -0.242892133308E+04 0.52940E-03 -0.12755E-02 2058 0.198E-01 0.704E-01 DAV: 13 -0.242891698813E+04 0.43449E-02 -0.21414E-02 2274 0.328E-01 0.639E-01 DAV: 14 -0.242892943192E+04 -0.12444E-01 -0.14638E-02 2094 0.322E-01 0.646E-01 DAV: 15 -0.242890444692E+04 0.24985E-01 -0.21314E-02 2175 0.599E-01 0.504E-01 DAV: 16 -0.242889477508E+04 0.96718E-02 -0.22780E-02 2157 0.269E-01 0.524E-01 DAV: 17 -0.242889883697E+04 -0.40619E-02 -0.61733E-03 2175 0.191E-01 0.447E-01 DAV: 18 -0.242890731877E+04 -0.84818E-02 -0.13713E-02 2535 0.310E-01 0.361E-01 DAV: 19 -0.242893098437E+04 -0.23666E-01 -0.15236E-02 2778 0.613E-01 0.545E-01 DAV: 20 -0.242891750666E+04 0.13478E-01 -0.21563E-02 2094 0.329E-01 0.585E-01 DAV: 21 -0.242891241735E+04 0.50893E-02 -0.49905E-03 2535 0.143E-01 0.511E-01 DAV: 22 -0.242891244979E+04 -0.32441E-04 -0.24206E-03 1995 0.553E-02 0.449E-01 DAV: 23 -0.242890517641E+04 0.72734E-02 -0.23390E-03 3102 0.191E-01 0.365E-01 DAV: 24 -0.242889132798E+04 0.13848E-01 -0.15968E-02 2760 0.358E-01 0.453E-01 DAV: 25 -0.242889279458E+04 -0.14666E-02 -0.14735E-02 1896 0.116E-01 0.398E-01 DAV: 26 -0.242889029888E+04 0.24957E-02 -0.14951E-04 2139 0.393E-02 0.445E-01 DAV: 27 -0.242889005217E+04 0.24671E-03 -0.40016E-04 1986 0.231E-02 0.445E-01 DAV: 28 -0.242889292967E+04 -0.28775E-02 -0.57565E-04 2157 0.606E-02 0.404E-01 DAV: 29 -0.242889392636E+04 -0.99669E-03 -0.45233E-04 2058 0.330E-02 0.407E-01 DAV: 30 -0.242889067343E+04 0.32529E-02 -0.22001E-04 2652 0.661E-02 0.469E-01 DAV: 31 -0.242888016865E+04 0.10505E-01 -0.17769E-03 2940 0.164E-01 0.616E-01 DAV: 32 -0.242887143219E+04 0.87365E-02 -0.26289E-03 2094 0.113E-01 0.681E-01 DAV: 33 -0.242886981088E+04 0.16213E-02 -0.16192E-03 1977 0.437E-02 0.673E-01 DAV: 34 -0.242886965266E+04 0.15822E-03 -0.38484E-05 1851 0.699E-03 0.673E-01 DAV: 35 -0.242886987632E+04 -0.22366E-03 -0.24686E-05 1410 0.958E-03 0.669E-01 DAV: 36 -0.242886783595E+04 0.20404E-02 -0.92259E-04 2040 0.424E-02 0.668E-01 DAV: 37 -0.242886753262E+04 0.30333E-03 -0.11005E-03 2724 0.937E-02 0.608E-01 DAV: 38 -0.242886112532E+04 0.64073E-02 -0.65116E-03 2355 0.123E-01 0.556E-01 DAV: 39 -0.242886280428E+04 -0.16790E-02 -0.20238E-03 1950 0.489E-02 0.574E-01 DAV: 40 -0.242886289828E+04 -0.93998E-04 -0.11556E-04 2085 0.117E-02 0.580E-01 DAV: 41 -0.242886290203E+04 -0.37530E-05 -0.37164E-06 1140 0.233E-03 83 F= -.24288629E+04 E0= -.24289357E+04 d E =0.538892E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242886314309E+04 -0.24481E-03 -0.31096E-04 1788 0.214E-02 0.577E-01 DAV: 2 -0.242883868809E+04 0.24455E-01 -0.54402E-02 2868 0.392E-01 0.508E-01 DAV: 3 -0.242883371307E+04 0.49750E-02 -0.61985E-02 2121 0.241E-01 0.406E-01 DAV: 4 -0.242883089239E+04 0.28207E-02 -0.29941E-02 2184 0.181E-01 0.336E-01 DAV: 5 -0.242883035819E+04 0.53420E-03 -0.14218E-02 2427 0.136E-01 0.181E-01 DAV: 6 -0.242882878822E+04 0.15700E-02 -0.47836E-03 2031 0.872E-02 0.101E-01 DAV: 7 -0.242882815595E+04 0.63228E-03 -0.19052E-03 2211 0.773E-02 0.731E-02 DAV: 8 -0.242882812971E+04 0.26241E-04 -0.12109E-03 1986 0.364E-02 0.579E-02 DAV: 9 -0.242882804293E+04 0.86778E-04 -0.20566E-04 2094 0.214E-02 0.326E-02 DAV: 10 -0.242882797889E+04 0.64042E-04 -0.71819E-05 1941 0.233E-02 0.193E-02 DAV: 11 -0.242882795892E+04 0.19962E-04 -0.11813E-04 1995 0.174E-02 0.146E-02 DAV: 12 -0.242882795541E+04 0.35097E-05 -0.46498E-05 1797 0.919E-03 84 F= -.24288280E+04 E0= -.24289176E+04 d E =0.888358E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882797654E+04 -0.17614E-04 -0.54791E-05 1959 0.115E-02 0.679E-03 DAV: 2 -0.242882797543E+04 0.11056E-05 -0.10123E-05 1212 0.498E-03 85 F= -.24288280E+04 E0= -.24289177E+04 d E =0.888158E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882798893E+04 -0.12396E-04 -0.16334E-05 1113 0.514E-03 0.527E-03 DAV: 2 -0.242882798851E+04 0.42545E-06 -0.39455E-06 978 0.260E-03 86 F= -.24288280E+04 E0= -.24289178E+04 d E =0.888027E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882799485E+04 -0.59168E-05 -0.60354E-06 960 0.289E-03 0.330E-03 DAV: 2 -0.242882799462E+04 0.22975E-06 -0.21268E-06 1086 0.185E-03 87 F= -.24288280E+04 E0= -.24289178E+04 d E =0.887966E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882799777E+04 -0.29228E-05 -0.22745E-06 933 0.169E-03 0.210E-03 DAV: 2 -0.242882799759E+04 0.17864E-06 -0.70970E-07 942 0.128E-03 88 F= -.24288280E+04 E0= -.24289178E+04 d E =0.887936E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882799919E+04 -0.14126E-05 -0.77435E-07 924 0.987E-04 0.149E-03 DAV: 2 -0.242882799908E+04 0.10832E-06 -0.40054E-07 951 0.952E-04 89 F= -.24288280E+04 E0= -.24289178E+04 d E =0.887921E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882799986E+04 -0.67518E-06 -0.37070E-07 897 0.644E-04 0.102E-03 DAV: 2 -0.242882799979E+04 0.70111E-07 -0.14214E-07 897 0.664E-04 90 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887914E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800017E+04 -0.31167E-06 -0.15852E-07 897 0.437E-04 0.784E-04 DAV: 2 -0.242882800013E+04 0.39334E-07 -0.11071E-07 924 0.531E-04 91 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887910E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800033E+04 -0.16153E-06 -0.10145E-07 897 0.325E-04 0.548E-04 DAV: 2 -0.242882800031E+04 0.24869E-07 -0.35776E-08 897 0.368E-04 92 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887909E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800042E+04 -0.81476E-07 -0.44267E-08 897 0.235E-04 0.444E-04 DAV: 2 -0.242882800040E+04 0.13868E-07 -0.38899E-08 897 0.313E-04 93 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887908E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800045E+04 -0.29744E-07 -0.34637E-08 897 0.185E-04 0.305E-04 DAV: 2 -0.242882800044E+04 0.88912E-08 -0.98627E-09 897 0.207E-04 94 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800046E+04 -0.12224E-07 -0.13712E-08 897 0.137E-04 0.264E-04 DAV: 2 -0.242882800045E+04 0.51077E-08 -0.16484E-08 897 0.190E-04 95 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800046E+04 -0.63301E-08 -0.13322E-08 897 0.112E-04 0.172E-04 DAV: 2 -0.242882800046E+04 0.32014E-08 -0.27859E-09 897 0.117E-04 96 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800048E+04 -0.13009E-07 -0.44004E-09 897 0.856E-05 0.164E-04 DAV: 2 -0.242882800048E+04 0.21100E-08 -0.82641E-09 897 0.120E-04 97 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.53114E-08 -0.58347E-09 897 0.719E-05 0.971E-05 DAV: 2 -0.242882800047E+04 0.17317E-08 -0.82228E-10 897 0.654E-05 98 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.23429E-08 -0.13900E-09 897 0.606E-05 0.106E-04 DAV: 2 -0.242882800047E+04 -0.14552E-10 -0.47825E-09 897 0.794E-05 99 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.43656E-09 -0.28378E-09 897 0.484E-05 0.533E-05 DAV: 2 -0.242882800047E+04 -0.26193E-09 -0.19697E-10 897 0.353E-05 100 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.26193E-09 -0.35337E-10 897 0.516E-05 0.603E-05 DAV: 2 -0.242882800047E+04 0.17462E-09 -0.21103E-09 870 0.482E-05 101 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.20373E-09 -0.11273E-09 870 0.290E-05 0.270E-05 DAV: 2 -0.242882800047E+04 0.32014E-09 -0.64205E-11 870 0.153E-05 102 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.29104E-09 -0.41009E-11 870 0.277E-05 0.972E-06 DAV: 2 -0.242882800047E+04 0.23283E-09 -0.15080E-10 870 0.137E-05 103 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.58208E-10 -0.39202E-11 870 0.704E-06 0.879E-06 DAV: 2 -0.242882800047E+04 -0.58208E-10 -0.27536E-11 870 0.554E-06 104 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.71304E-09 -0.90520E-12 870 0.392E-06 0.689E-06 DAV: 2 -0.242882800047E+04 0.18917E-09 -0.27555E-11 870 0.414E-06 105 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.14552E-10 -0.16983E-11 870 0.272E-06 0.480E-06 DAV: 2 -0.242882800047E+04 0.58208E-09 -0.95468E-11 870 0.297E-06 106 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.29104E-09 -0.32270E-11 870 0.189E-06 0.349E-06 DAV: 2 -0.242882800047E+04 0.87311E-10 -0.96354E-11 870 0.229E-06 107 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.20373E-09 0.92451E-12 870 0.139E-06 0.250E-06 DAV: 2 -0.242882800047E+04 0.14552E-10 -0.45306E-11 870 0.170E-06 108 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.23283E-09 -0.19712E-11 870 0.105E-06 0.193E-06 DAV: 2 -0.242882800047E+04 0.14552E-09 0.32590E-11 870 0.133E-06 109 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.42201E-09 0.76475E-12 870 0.798E-07 0.141E-06 DAV: 2 -0.242882800047E+04 -0.14552E-09 -0.99555E-11 870 0.974E-07 110 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.72760E-10 0.11449E-11 870 0.605E-07 0.112E-06 DAV: 2 -0.242882800047E+04 -0.13097E-09 0.70763E-12 870 0.789E-07 111 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.29104E-10 -0.35727E-11 870 0.471E-07 0.809E-07 DAV: 2 -0.242882800047E+04 -0.30559E-09 -0.62041E-12 870 0.561E-07 112 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.40745E-09 -0.25275E-11 870 0.357E-07 0.668E-07 DAV: 2 -0.242882800047E+04 -0.87311E-10 -0.29125E-11 870 0.476E-07 113 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.40745E-09 -0.23594E-11 870 0.283E-07 0.466E-07 DAV: 2 -0.242882800047E+04 0.72760E-10 -0.27047E-11 870 0.322E-07 114 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.32014E-09 0.37743E-11 870 0.214E-07 0.407E-07 DAV: 2 -0.242882800047E+04 0.11642E-09 -0.31907E-11 870 0.294E-07 115 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.32014E-09 0.63287E-12 870 0.175E-07 0.268E-07 DAV: 2 -0.242882800047E+04 -0.78580E-09 0.30030E-12 870 0.183E-07 116 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.87311E-10 -0.15625E-11 870 0.135E-07 0.258E-07 DAV: 2 -0.242882800047E+04 0.18917E-09 -0.55121E-11 870 0.189E-07 117 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.11642E-09 -0.12836E-11 870 0.114E-07 0.152E-07 DAV: 2 -0.242882800047E+04 0.11642E-09 -0.45320E-11 870 0.103E-07 118 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.40745E-09 0.19483E-12 870 0.964E-08 0.168E-07 DAV: 2 -0.242882800047E+04 -0.29104E-10 -0.83725E-11 870 0.126E-07 119 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.61118E-09 -0.20699E-11 870 0.769E-08 0.843E-08 DAV: 2 -0.242882800047E+04 -0.65484E-09 -0.26445E-12 870 0.563E-08 120 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.55297E-09 0.23435E-11 870 0.822E-08 0.973E-08 DAV: 2 -0.242882800047E+04 0.34925E-09 -0.33219E-11 870 0.773E-08 121 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.20373E-09 -0.25773E-11 870 0.467E-08 0.431E-08 DAV: 2 -0.242882800047E+04 0.56752E-09 -0.21502E-12 870 0.248E-08 122 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.20373E-09 0.99127E-13 870 0.458E-08 0.156E-08 DAV: 2 -0.242882800047E+04 0.32014E-09 -0.73489E-12 870 0.223E-08 123 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.34925E-09 0.39609E-12 870 0.116E-08 0.148E-08 DAV: 2 -0.242882800047E+04 0.26193E-09 -0.27894E-11 870 0.943E-09 124 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.87311E-10 0.22299E-11 870 0.654E-09 0.116E-08 DAV: 2 -0.242882800047E+04 -0.43656E-09 -0.21240E-12 870 0.683E-09 125 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.16007E-09 -0.19608E-11 870 0.480E-09 0.774E-09 DAV: 2 -0.242882800047E+04 0.13097E-09 -0.42544E-11 870 0.538E-09 126 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.14552E-10 0.14617E-11 870 0.374E-09 0.575E-09 DAV: 2 -0.242882800047E+04 -0.21828E-09 0.90865E-12 870 0.434E-09 127 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.32014E-09 -0.63703E-12 870 0.304E-09 0.416E-09 DAV: 2 -0.242882800047E+04 -0.14552E-09 -0.22597E-11 870 0.330E-09 128 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.58208E-10 0.24974E-11 870 0.248E-09 0.332E-09 DAV: 2 -0.242882800047E+04 -0.23283E-09 -0.32624E-11 870 0.309E-09 129 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.10186E-09 -0.11359E-12 870 0.235E-09 0.245E-09 DAV: 2 -0.242882800047E+04 0.14552E-10 -0.37374E-11 870 0.253E-09 130 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.10186E-09 0.20355E-11 870 0.218E-09 0.215E-09 DAV: 2 -0.242882800047E+04 0.87311E-10 -0.33076E-11 870 0.268E-09 131 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.43656E-10 -0.26632E-12 870 0.262E-09 0.155E-09 DAV: 2 -0.242882800047E+04 0.14552E-10 0.48494E-11 870 0.216E-09 132 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.72760E-10 0.41654E-12 870 0.224E-09 0.138E-09 DAV: 2 -0.242882800047E+04 0.00000E+00 -0.39017E-11 870 0.234E-09 133 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.14552E-10 0.12334E-11 870 0.201E-09 0.102E-09 DAV: 2 -0.242882800047E+04 0.11642E-09 0.50737E-12 870 0.181E-09 134 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.10186E-09 0.77073E-12 870 0.181E-09 0.993E-10 DAV: 2 -0.242882800047E+04 0.00000E+00 0.34417E-11 870 0.182E-09 135 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.14552E-10 0.18307E-12 870 0.215E-09 0.919E-10 DAV: 2 -0.242882800047E+04 0.10186E-09 0.16260E-11 870 0.207E-09 136 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.72760E-10 0.13169E-11 870 0.200E-09 0.779E-10 DAV: 2 -0.242882800047E+04 0.26193E-09 -0.71105E-12 870 0.185E-09 137 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.11642E-09 0.27958E-11 870 0.187E-09 0.730E-10 DAV: 2 -0.242882800047E+04 -0.29104E-10 0.41149E-11 870 0.203E-09 138 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.29104E-10 -0.22623E-12 870 0.190E-09 0.675E-10 DAV: 2 -0.242882800047E+04 -0.23283E-09 0.50602E-11 870 0.178E-09 139 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.17462E-09 0.14488E-11 870 0.177E-09 0.667E-10 DAV: 2 -0.242882800047E+04 0.11642E-09 0.18562E-11 870 0.180E-09 140 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.58208E-10 0.29804E-11 870 0.172E-09 0.671E-10 DAV: 2 -0.242882800047E+04 -0.58208E-10 0.30694E-11 870 0.191E-09 141 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.43656E-10 -0.10797E-13 870 0.179E-09 0.660E-10 DAV: 2 -0.242882800047E+04 0.43656E-10 0.19188E-11 870 0.180E-09 142 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.10186E-09 -0.22011E-11 870 0.207E-09 0.725E-10 DAV: 2 -0.242882800047E+04 -0.58208E-10 -0.17762E-11 870 0.181E-09 143 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.43656E-10 0.22407E-11 870 0.201E-09 0.660E-10 DAV: 2 -0.242882800047E+04 -0.43656E-10 -0.70518E-11 870 0.174E-09 144 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.58208E-10 0.97186E-12 870 0.151E-09 0.644E-10 DAV: 2 -0.242882800047E+04 -0.43656E-10 0.48680E-11 870 0.204E-09 145 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.16007E-09 0.22197E-11 870 0.190E-09 0.673E-10 DAV: 2 -0.242882800047E+04 0.14552E-09 -0.46961E-11 870 0.184E-09 146 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.14552E-09 0.16846E-11 870 0.191E-09 0.671E-10 DAV: 2 -0.242882800047E+04 -0.11642E-09 -0.24081E-11 870 0.198E-09 147 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.87311E-10 0.21716E-11 870 0.173E-09 0.584E-10 DAV: 2 -0.242882800047E+04 -0.14552E-10 0.19279E-11 870 0.212E-09 148 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.29104E-10 0.10263E-11 870 0.208E-09 0.661E-10 DAV: 2 -0.242882800047E+04 -0.29104E-09 -0.19831E-11 870 0.197E-09 149 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.13097E-09 -0.21176E-11 870 0.204E-09 0.695E-10 DAV: 2 -0.242882800047E+04 -0.29104E-09 -0.20589E-11 870 0.211E-09 150 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.13097E-09 0.89347E-12 870 0.187E-09 0.615E-10 DAV: 2 -0.242882800047E+04 0.29104E-10 -0.24905E-11 870 0.182E-09 151 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.17462E-09 0.13738E-11 870 0.176E-09 0.653E-10 DAV: 2 -0.242882800047E+04 -0.58208E-10 -0.29444E-11 870 0.189E-09 152 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.13097E-09 0.74632E-12 870 0.192E-09 0.668E-10 DAV: 2 -0.242882800047E+04 0.14552E-10 0.23595E-11 870 0.188E-09 153 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.13097E-09 -0.10998E-11 870 0.210E-09 0.723E-10 DAV: 2 -0.242882800047E+04 0.58208E-10 -0.80661E-11 870 0.208E-09 154 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.87311E-10 0.58648E-12 870 0.192E-09 0.615E-10 DAV: 2 -0.242882800047E+04 -0.87311E-10 -0.27574E-11 870 0.179E-09 155 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.14552E-10 -0.80310E-12 870 0.183E-09 0.635E-10 DAV: 2 -0.242882800047E+04 0.14552E-10 0.33074E-11 870 0.202E-09 156 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.72760E-10 -0.29360E-12 870 0.177E-09 0.589E-10 DAV: 2 -0.242882800047E+04 0.00000E+00 0.36888E-11 870 0.196E-09 157 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.11642E-09 0.81950E-13 870 0.210E-09 0.712E-10 DAV: 2 -0.242882800047E+04 0.23283E-09 0.26015E-11 870 0.189E-09 158 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.87311E-10 -0.27615E-12 870 0.181E-09 0.674E-10 DAV: 2 -0.242882800047E+04 0.58208E-10 0.29882E-11 870 0.200E-09 159 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.58208E-10 0.12860E-13 870 0.202E-09 0.641E-10 DAV: 2 -0.242882800047E+04 0.58208E-10 0.16036E-11 870 0.224E-09 160 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.20373E-09 0.82007E-12 870 0.206E-09 0.640E-10 DAV: 2 -0.242882800047E+04 -0.10186E-09 -0.26785E-11 870 0.189E-09 161 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.26193E-09 0.58845E-12 870 0.222E-09 0.746E-10 DAV: 2 -0.242882800047E+04 0.26193E-09 0.16314E-11 870 0.212E-09 162 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.87311E-10 0.27087E-12 870 0.184E-09 0.623E-10 DAV: 2 -0.242882800047E+04 -0.11642E-09 0.12145E-11 870 0.191E-09 163 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.11642E-09 0.10339E-11 870 0.177E-09 0.687E-10 DAV: 2 -0.242882800047E+04 0.14552E-10 0.10199E-11 870 0.197E-09 164 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.11642E-09 -0.87214E-12 870 0.200E-09 0.692E-10 DAV: 2 -0.242882800047E+04 -0.58208E-10 0.13832E-11 870 0.186E-09 165 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.17462E-09 0.14688E-11 870 0.193E-09 0.696E-10 DAV: 2 -0.242882800047E+04 0.23283E-09 -0.36783E-11 870 0.224E-09 166 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.18917E-09 0.79397E-12 870 0.174E-09 0.650E-10 DAV: 2 -0.242882800047E+04 0.14552E-10 0.11040E-11 870 0.189E-09 167 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.14552E-10 0.32097E-11 870 0.225E-09 0.685E-10 DAV: 2 -0.242882800047E+04 0.14552E-09 -0.96999E-12 870 0.181E-09 168 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.43656E-10 0.15152E-11 870 0.174E-09 0.691E-10 DAV: 2 -0.242882800047E+04 0.43656E-10 0.50500E-11 870 0.195E-09 169 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.72760E-10 0.97408E-12 870 0.192E-09 0.667E-10 DAV: 2 -0.242882800047E+04 -0.29104E-10 0.90242E-12 870 0.213E-09 170 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.00000E+00 0.16867E-11 870 0.166E-09 0.682E-10 DAV: 2 -0.242882800047E+04 -0.58208E-10 0.44563E-11 870 0.176E-09 171 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.29104E-10 0.26477E-11 870 0.200E-09 0.743E-10 DAV: 2 -0.242882800047E+04 -0.29104E-10 0.10234E-11 870 0.205E-09 172 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.14552E-10 0.36689E-11 870 0.198E-09 0.706E-10 DAV: 2 -0.242882800047E+04 -0.14552E-10 -0.19250E-12 870 0.195E-09 173 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.10186E-09 -0.17357E-11 870 0.193E-09 0.685E-10 DAV: 2 -0.242882800047E+04 -0.29104E-10 -0.24998E-11 870 0.183E-09 174 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.26193E-09 0.54594E-12 870 0.199E-09 0.719E-10 DAV: 2 -0.242882800047E+04 0.18917E-09 0.19469E-11 870 0.180E-09 175 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.29104E-09 -0.40023E-12 870 0.188E-09 0.688E-10 DAV: 2 -0.242882800047E+04 -0.18917E-09 -0.81665E-11 870 0.194E-09 176 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.29104E-10 -0.12583E-11 870 0.186E-09 0.661E-10 DAV: 2 -0.242882800047E+04 -0.29104E-10 0.54339E-11 870 0.184E-09 177 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.00000E+00 0.12059E-11 870 0.175E-09 0.653E-10 DAV: 2 -0.242882800047E+04 -0.11642E-09 -0.99805E-12 870 0.184E-09 178 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.14552E-10 -0.19826E-11 870 0.209E-09 0.730E-10 DAV: 2 -0.242882800047E+04 -0.10186E-09 0.34945E-11 870 0.185E-09 179 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.10186E-09 -0.69541E-12 870 0.189E-09 0.692E-10 DAV: 2 -0.242882800047E+04 -0.10186E-09 0.25846E-11 870 0.181E-09 180 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.00000E+00 -0.15318E-11 870 0.185E-09 0.658E-10 DAV: 2 -0.242882800047E+04 -0.29104E-10 -0.28091E-12 870 0.219E-09 181 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.00000E+00 0.16541E-12 870 0.201E-09 0.609E-10 DAV: 2 -0.242882800047E+04 -0.14552E-09 -0.21393E-11 870 0.169E-09 182 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.00000E+00 0.61963E-12 870 0.212E-09 0.696E-10 DAV: 2 -0.242882800047E+04 -0.43656E-10 -0.11060E-11 870 0.206E-09 183 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.11642E-09 0.12873E-11 870 0.193E-09 0.689E-10 DAV: 2 -0.242882800047E+04 0.43656E-10 0.31169E-11 870 0.173E-09 184 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.14552E-09 0.13670E-11 870 0.214E-09 0.695E-10 DAV: 2 -0.242882800047E+04 0.11642E-09 -0.27837E-11 870 0.197E-09 185 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.00000E+00 0.11739E-11 870 0.189E-09 0.651E-10 DAV: 2 -0.242882800047E+04 -0.43656E-10 0.67921E-11 870 0.182E-09 186 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.11642E-09 0.21442E-11 870 0.186E-09 0.672E-10 DAV: 2 -0.242882800047E+04 0.14552E-09 -0.37170E-11 870 0.180E-09 187 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.14552E-09 -0.12315E-11 870 0.190E-09 0.688E-10 DAV: 2 -0.242882800047E+04 0.43656E-10 0.20146E-11 870 0.195E-09 188 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.87311E-10 -0.22937E-11 870 0.191E-09 0.692E-10 DAV: 2 -0.242882800047E+04 0.72760E-10 0.15607E-11 870 0.183E-09 189 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.00000E+00 0.15099E-11 870 0.188E-09 0.662E-10 DAV: 2 -0.242882800047E+04 0.00000E+00 -0.49441E-12 870 0.197E-09 190 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.87311E-10 0.20746E-11 870 0.171E-09 0.599E-10 DAV: 2 -0.242882800047E+04 -0.58208E-10 0.48074E-11 870 0.171E-09 191 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.16007E-09 0.12874E-11 870 0.207E-09 0.701E-10 DAV: 2 -0.242882800047E+04 0.10186E-09 0.55100E-11 870 0.194E-09 192 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.10186E-09 -0.71446E-12 870 0.192E-09 0.627E-10 DAV: 2 -0.242882800047E+04 0.23283E-09 0.16169E-11 864 0.193E-09 193 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.26193E-09 -0.20583E-11 852 0.182E-09 0.643E-10 DAV: 2 -0.242882800047E+04 -0.29104E-10 -0.38901E-11 852 0.204E-09 194 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.11642E-09 0.13263E-11 852 0.201E-09 0.721E-10 DAV: 2 -0.242882800047E+04 -0.72760E-10 0.45914E-11 852 0.193E-09 195 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.11642E-09 -0.15920E-11 852 0.178E-09 0.618E-10 DAV: 2 -0.242882800047E+04 0.87311E-10 -0.56802E-12 852 0.186E-09 196 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.17462E-09 0.10019E-11 852 0.196E-09 0.661E-10 DAV: 2 -0.242882800047E+04 0.29104E-10 0.50268E-12 852 0.179E-09 197 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.58208E-10 -0.84437E-12 852 0.225E-09 0.718E-10 DAV: 2 -0.242882800047E+04 0.23283E-09 -0.58764E-13 852 0.182E-09 198 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.11642E-09 -0.36012E-12 852 0.173E-09 0.649E-10 DAV: 2 -0.242882800047E+04 0.58208E-10 0.79853E-12 852 0.173E-09 199 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.58208E-10 -0.15521E-11 852 0.179E-09 0.677E-10 DAV: 2 -0.242882800047E+04 -0.43656E-10 -0.34129E-11 852 0.206E-09 200 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.58208E-10 0.19559E-11 852 0.210E-09 0.663E-10 DAV: 2 -0.242882800047E+04 -0.58208E-10 0.18056E-11 852 0.180E-09 201 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.14552E-10 0.23385E-12 852 0.170E-09 0.667E-10 DAV: 2 -0.242882800047E+04 0.10186E-09 0.24625E-11 852 0.189E-09 202 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.16007E-09 0.15736E-12 852 0.210E-09 0.755E-10 DAV: 2 -0.242882800047E+04 -0.14552E-09 -0.18243E-11 852 0.221E-09 203 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.11642E-09 -0.32874E-12 852 0.166E-09 0.641E-10 DAV: 2 -0.242882800047E+04 -0.87311E-10 -0.24454E-11 852 0.168E-09 204 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.29104E-10 0.24817E-11 852 0.180E-09 0.599E-10 DAV: 2 -0.242882800047E+04 0.14552E-09 0.48585E-11 852 0.197E-09 205 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.14552E-09 0.77524E-12 852 0.223E-09 0.673E-10 DAV: 2 -0.242882800047E+04 0.58208E-10 -0.11582E-11 852 0.181E-09 206 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.58208E-10 -0.80602E-12 852 0.172E-09 0.698E-10 DAV: 2 -0.242882800047E+04 0.87311E-10 0.52131E-11 852 0.194E-09 207 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.11642E-09 -0.58301E-12 852 0.190E-09 0.700E-10 DAV: 2 -0.242882800047E+04 -0.10186E-09 0.48648E-12 852 0.194E-09 208 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.00000E+00 0.98133E-12 852 0.177E-09 0.612E-10 DAV: 2 -0.242882800047E+04 -0.87311E-10 -0.64426E-11 852 0.173E-09 209 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.72760E-10 -0.31769E-11 852 0.170E-09 0.640E-10 DAV: 2 -0.242882800047E+04 -0.87311E-10 0.39359E-11 852 0.185E-09 210 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.87311E-10 -0.21894E-12 852 0.199E-09 0.661E-10 DAV: 2 -0.242882800047E+04 -0.13097E-09 0.63329E-12 852 0.207E-09 211 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.14552E-09 0.44609E-12 852 0.176E-09 0.644E-10 DAV: 2 -0.242882800047E+04 0.43656E-10 -0.53765E-11 852 0.194E-09 212 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.14552E-10 0.10249E-11 852 0.207E-09 0.692E-10 DAV: 2 -0.242882800047E+04 0.87311E-10 0.89697E-12 852 0.178E-09 213 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.14552E-09 -0.46151E-12 852 0.199E-09 0.667E-10 DAV: 2 -0.242882800047E+04 -0.14552E-10 -0.10255E-10 852 0.193E-09 214 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.58208E-10 -0.13854E-11 852 0.211E-09 0.693E-10 DAV: 2 -0.242882800047E+04 -0.21828E-09 -0.84482E-12 852 0.190E-09 215 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.29104E-09 -0.69896E-12 852 0.161E-09 0.640E-10 DAV: 2 -0.242882800047E+04 0.17462E-09 0.50786E-11 852 0.184E-09 216 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.10186E-09 0.21868E-11 852 0.223E-09 0.767E-10 DAV: 2 -0.242882800047E+04 0.43656E-10 -0.17857E-11 852 0.244E-09 217 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.16007E-09 0.16476E-11 852 0.243E-09 0.718E-10 DAV: 2 -0.242882800047E+04 -0.16007E-09 -0.74535E-11 852 0.207E-09 218 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.23283E-09 0.92033E-12 852 0.201E-09 0.662E-10 DAV: 2 -0.242882800047E+04 0.23283E-09 -0.48256E-11 852 0.194E-09 219 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.11642E-09 0.18171E-11 852 0.211E-09 0.652E-10 DAV: 2 -0.242882800047E+04 0.58208E-10 0.78684E-13 852 0.203E-09 220 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.00000E+00 -0.99309E-12 852 0.197E-09 0.646E-10 DAV: 2 -0.242882800047E+04 -0.13097E-09 0.30949E-11 852 0.184E-09 221 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.58208E-10 -0.16446E-11 852 0.208E-09 0.691E-10 DAV: 2 -0.242882800047E+04 0.58208E-10 -0.65436E-12 852 0.186E-09 222 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.87311E-10 0.19892E-12 852 0.214E-09 0.721E-10 DAV: 2 -0.242882800047E+04 -0.58208E-10 -0.18708E-12 852 0.218E-09 223 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.29104E-10 -0.65830E-13 852 0.227E-09 0.770E-10 DAV: 2 -0.242882800047E+04 -0.32014E-09 0.40808E-11 852 0.183E-09 224 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.16007E-09 0.68323E-12 852 0.192E-09 0.716E-10 DAV: 2 -0.242882800047E+04 0.10186E-09 -0.61289E-12 852 0.211E-09 225 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.14552E-10 -0.18185E-11 852 0.193E-09 0.699E-10 DAV: 2 -0.242882800047E+04 -0.14552E-10 -0.30836E-11 852 0.182E-09 226 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.29104E-10 0.86778E-12 852 0.187E-09 0.678E-10 DAV: 2 -0.242882800047E+04 -0.58208E-10 0.48840E-11 852 0.192E-09 227 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.58208E-10 -0.12344E-11 852 0.205E-09 0.712E-10 DAV: 2 -0.242882800047E+04 0.58208E-10 -0.56232E-11 852 0.203E-09 228 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.87311E-10 0.18107E-11 852 0.199E-09 0.725E-10 DAV: 2 -0.242882800047E+04 0.29104E-10 0.52395E-12 852 0.197E-09 229 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.58208E-10 0.74887E-12 852 0.234E-09 0.717E-10 DAV: 2 -0.242882800047E+04 -0.87311E-10 0.62519E-12 852 0.169E-09 230 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.11642E-09 0.73504E-12 852 0.201E-09 0.728E-10 DAV: 2 -0.242882800047E+04 0.29104E-10 -0.84675E-12 852 0.214E-09 231 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.17462E-09 0.18812E-11 852 0.192E-09 0.728E-10 DAV: 2 -0.242882800047E+04 0.87311E-10 -0.32727E-11 852 0.214E-09 232 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.29104E-10 0.12246E-11 852 0.190E-09 0.683E-10 DAV: 2 -0.242882800047E+04 -0.29104E-10 -0.42699E-11 852 0.185E-09 233 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.29104E-10 0.19194E-11 852 0.193E-09 0.758E-10 DAV: 2 -0.242882800047E+04 -0.58208E-10 0.17846E-11 852 0.181E-09 234 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.29104E-10 -0.50553E-13 852 0.203E-09 0.687E-10 DAV: 2 -0.242882800047E+04 0.87311E-10 -0.35671E-11 852 0.204E-09 235 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.87311E-10 0.40056E-13 852 0.211E-09 0.671E-10 DAV: 2 -0.242882800047E+04 -0.14552E-09 0.66051E-11 852 0.195E-09 236 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.58208E-10 0.11561E-11 852 0.215E-09 0.747E-10 DAV: 2 -0.242882800047E+04 -0.58208E-10 -0.99491E-12 852 0.204E-09 237 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.87311E-10 -0.25094E-11 852 0.197E-09 0.683E-10 DAV: 2 -0.242882800047E+04 0.17462E-09 0.62148E-11 852 0.193E-09 238 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.14552E-09 0.96832E-12 852 0.188E-09 0.665E-10 DAV: 2 -0.242882800047E+04 -0.87311E-10 0.69574E-12 852 0.168E-09 239 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.58208E-10 -0.14357E-11 852 0.169E-09 0.622E-10 DAV: 2 -0.242882800047E+04 -0.14552E-09 -0.63353E-11 852 0.193E-09 240 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.11642E-09 -0.19701E-11 852 0.212E-09 0.645E-10 DAV: 2 -0.242882800047E+04 0.20373E-09 0.80687E-11 852 0.157E-09 241 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.17462E-09 -0.20149E-11 852 0.175E-09 0.670E-10 DAV: 2 -0.242882800047E+04 -0.10186E-09 -0.16540E-11 852 0.200E-09 242 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.10186E-09 -0.18775E-11 852 0.190E-09 0.626E-10 DAV: 2 -0.242882800047E+04 -0.13097E-09 0.37747E-11 852 0.185E-09 243 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.18917E-09 -0.93488E-12 852 0.207E-09 0.679E-10 DAV: 2 -0.242882800047E+04 0.58208E-10 0.35591E-11 852 0.200E-09 244 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.72760E-10 0.32762E-12 852 0.176E-09 0.626E-10 DAV: 2 -0.242882800047E+04 0.14552E-10 -0.52619E-11 852 0.212E-09 245 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.29104E-10 -0.18923E-11 852 0.223E-09 0.689E-10 DAV: 2 -0.242882800047E+04 0.72760E-10 0.34036E-12 852 0.219E-09 246 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.00000E+00 -0.19466E-11 852 0.213E-09 0.670E-10 DAV: 2 -0.242882800047E+04 -0.43656E-10 0.43522E-11 852 0.195E-09 247 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.10186E-09 -0.15139E-11 852 0.186E-09 0.619E-10 DAV: 2 -0.242882800047E+04 -0.29104E-10 0.36388E-11 852 0.199E-09 248 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.00000E+00 -0.17351E-12 852 0.191E-09 0.727E-10 DAV: 2 -0.242882800047E+04 -0.17462E-09 0.34769E-11 852 0.217E-09 249 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.87311E-10 -0.31485E-12 852 0.204E-09 0.659E-10 DAV: 2 -0.242882800047E+04 -0.87311E-10 0.62458E-11 852 0.191E-09 250 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.00000E+00 0.18866E-11 852 0.198E-09 0.674E-10 DAV: 2 -0.242882800047E+04 0.17462E-09 0.14693E-11 852 0.198E-09 251 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.14552E-10 -0.14109E-11 852 0.199E-09 0.693E-10 DAV: 2 -0.242882800047E+04 0.14552E-10 -0.13134E-11 852 0.220E-09 252 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.43656E-10 -0.23938E-12 852 0.190E-09 0.727E-10 DAV: 2 -0.242882800047E+04 -0.23283E-09 -0.59503E-11 852 0.186E-09 253 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.13097E-09 -0.84838E-12 852 0.200E-09 0.702E-10 DAV: 2 -0.242882800047E+04 0.43656E-10 -0.86288E-11 852 0.207E-09 254 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.43656E-10 -0.45316E-12 852 0.235E-09 0.748E-10 DAV: 2 -0.242882800047E+04 -0.13097E-09 -0.58670E-13 852 0.208E-09 255 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.87311E-10 -0.70540E-12 852 0.193E-09 0.730E-10 DAV: 2 -0.242882800047E+04 0.21828E-09 -0.35795E-11 852 0.203E-09 256 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.30559E-09 0.17618E-11 852 0.209E-09 0.717E-10 DAV: 2 -0.242882800047E+04 -0.23283E-09 -0.26991E-11 852 0.222E-09 257 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.24738E-09 0.30066E-12 852 0.200E-09 0.729E-10 DAV: 2 -0.242882800047E+04 0.13097E-09 -0.16750E-12 852 0.216E-09 258 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.58208E-10 0.19858E-11 852 0.210E-09 0.688E-10 DAV: 2 -0.242882800047E+04 0.11642E-09 -0.35155E-11 852 0.188E-09 259 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.17462E-09 0.70395E-12 852 0.194E-09 0.709E-10 DAV: 2 -0.242882800047E+04 -0.29104E-10 0.15836E-11 852 0.223E-09 260 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.58208E-10 0.26763E-13 852 0.213E-09 0.669E-10 DAV: 2 -0.242882800047E+04 -0.10186E-09 0.10266E-12 852 0.191E-09 261 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.16007E-09 0.39312E-12 852 0.198E-09 0.669E-10 DAV: 2 -0.242882800047E+04 -0.72760E-10 -0.68946E-12 852 0.212E-09 262 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.43656E-10 0.94290E-12 852 0.205E-09 0.680E-10 DAV: 2 -0.242882800047E+04 0.00000E+00 0.13518E-11 852 0.204E-09 263 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.58208E-10 0.54935E-13 852 0.194E-09 0.694E-10 DAV: 2 -0.242882800047E+04 -0.14552E-10 0.46134E-12 852 0.177E-09 264 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.87311E-10 0.27729E-11 852 0.183E-09 0.687E-10 DAV: 2 -0.242882800047E+04 -0.11642E-09 0.19235E-11 852 0.197E-09 265 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.27649E-09 0.23705E-11 852 0.185E-09 0.678E-10 DAV: 2 -0.242882800047E+04 0.16007E-09 0.23751E-11 852 0.193E-09 266 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.10186E-09 0.22362E-11 852 0.211E-09 0.716E-10 DAV: 2 -0.242882800047E+04 0.87311E-10 0.36288E-11 852 0.205E-09 267 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.29104E-10 -0.69077E-12 852 0.190E-09 0.630E-10 DAV: 2 -0.242882800047E+04 0.87311E-10 -0.39840E-12 852 0.179E-09 268 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.29104E-10 -0.81667E-12 852 0.188E-09 0.662E-10 DAV: 2 -0.242882800047E+04 -0.29104E-10 -0.17149E-11 852 0.188E-09 269 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.14552E-09 -0.22761E-12 852 0.205E-09 0.757E-10 DAV: 2 -0.242882800047E+04 -0.87311E-10 -0.59092E-11 852 0.182E-09 270 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.58208E-10 -0.81964E-12 852 0.176E-09 0.685E-10 DAV: 2 -0.242882800047E+04 -0.58208E-10 0.56650E-11 852 0.207E-09 271 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.20373E-09 -0.74358E-12 852 0.209E-09 0.644E-10 DAV: 2 -0.242882800047E+04 0.43656E-10 -0.27726E-11 852 0.159E-09 272 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.23283E-09 0.20514E-13 852 0.197E-09 0.698E-10 DAV: 2 -0.242882800047E+04 -0.43656E-10 -0.64867E-12 852 0.211E-09 273 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.29104E-10 0.91080E-12 852 0.187E-09 0.748E-10 DAV: 2 -0.242882800047E+04 -0.14552E-09 0.28776E-11 852 0.202E-09 274 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.58208E-10 -0.11975E-11 852 0.197E-09 0.645E-10 DAV: 2 -0.242882800047E+04 0.43656E-10 -0.22830E-11 852 0.202E-09 275 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.29104E-10 0.35535E-12 852 0.181E-09 0.660E-10 DAV: 2 -0.242882800047E+04 -0.29104E-10 -0.39643E-11 852 0.182E-09 276 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.11642E-09 -0.16235E-11 852 0.167E-09 0.653E-10 DAV: 2 -0.242882800047E+04 0.58208E-10 -0.93367E-11 852 0.184E-09 277 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.17462E-09 0.12825E-11 852 0.206E-09 0.694E-10 DAV: 2 -0.242882800047E+04 0.29104E-10 -0.43528E-12 852 0.192E-09 278 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.00000E+00 -0.13624E-12 852 0.197E-09 0.624E-10 DAV: 2 -0.242882800047E+04 -0.87311E-10 -0.58853E-11 852 0.201E-09 279 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.10186E-09 0.10233E-11 852 0.208E-09 0.652E-10 DAV: 2 -0.242882800047E+04 -0.58208E-10 0.26645E-12 852 0.184E-09 280 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.72760E-10 -0.28527E-13 852 0.170E-09 0.682E-10 DAV: 2 -0.242882800047E+04 -0.11642E-09 0.59413E-11 852 0.189E-09 281 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.00000E+00 0.15623E-11 852 0.193E-09 0.731E-10 DAV: 2 -0.242882800047E+04 0.11642E-09 -0.29946E-11 852 0.194E-09 282 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.11642E-09 -0.18116E-11 852 0.182E-09 0.601E-10 DAV: 2 -0.242882800047E+04 0.29104E-10 -0.46417E-11 852 0.172E-09 283 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.58208E-10 0.10744E-11 852 0.175E-09 0.673E-10 DAV: 2 -0.242882800047E+04 -0.72760E-10 -0.50117E-11 852 0.189E-09 284 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.14552E-09 0.13165E-11 852 0.161E-09 0.625E-10 DAV: 2 -0.242882800047E+04 0.00000E+00 -0.67718E-11 852 0.182E-09 285 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.00000E+00 0.29532E-11 852 0.179E-09 0.617E-10 DAV: 2 -0.242882800047E+04 -0.29104E-10 -0.56081E-11 852 0.212E-09 286 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.58208E-10 0.72070E-12 852 0.188E-09 0.653E-10 DAV: 2 -0.242882800047E+04 0.14552E-10 -0.31978E-11 852 0.194E-09 287 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.87311E-10 0.12507E-11 852 0.181E-09 0.649E-10 DAV: 2 -0.242882800047E+04 0.00000E+00 -0.18956E-11 852 0.204E-09 288 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.11642E-09 0.78247E-12 852 0.193E-09 0.647E-10 DAV: 2 -0.242882800047E+04 -0.14552E-10 -0.65351E-12 852 0.202E-09 289 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.58208E-10 0.13153E-11 852 0.184E-09 0.648E-10 DAV: 2 -0.242882800047E+04 0.43656E-10 0.26310E-11 852 0.180E-09 290 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.29104E-10 -0.14707E-11 852 0.192E-09 0.652E-10 DAV: 2 -0.242882800047E+04 0.11642E-09 -0.47484E-11 852 0.179E-09 291 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.14552E-09 -0.12435E-11 852 0.184E-09 0.649E-10 DAV: 2 -0.242882800047E+04 -0.14552E-09 -0.28853E-12 852 0.182E-09 292 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.29104E-10 0.11705E-11 852 0.195E-09 0.719E-10 DAV: 2 -0.242882800047E+04 -0.14552E-09 0.39918E-11 852 0.231E-09 293 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.11642E-09 0.69650E-12 852 0.182E-09 0.701E-10 DAV: 2 -0.242882800047E+04 0.29104E-10 -0.34593E-11 852 0.194E-09 294 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.11642E-09 0.17166E-11 852 0.198E-09 0.606E-10 DAV: 2 -0.242882800047E+04 -0.58208E-10 0.37330E-11 852 0.207E-09 295 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.87311E-10 -0.18038E-11 852 0.207E-09 0.673E-10 DAV: 2 -0.242882800047E+04 -0.11642E-09 -0.89149E-11 852 0.208E-09 296 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.58208E-10 -0.13615E-11 852 0.215E-09 0.716E-10 DAV: 2 -0.242882800047E+04 -0.43656E-10 -0.11784E-11 852 0.190E-09 297 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.21828E-09 -0.44783E-12 852 0.183E-09 0.694E-10 DAV: 2 -0.242882800047E+04 0.13097E-09 -0.19941E-11 852 0.183E-09 298 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.21828E-09 -0.18709E-11 852 0.169E-09 0.625E-10 DAV: 2 -0.242882800047E+04 -0.14552E-09 0.51751E-12 852 0.196E-09 299 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.00000E+00 0.11447E-11 852 0.212E-09 0.649E-10 DAV: 2 -0.242882800047E+04 0.29104E-10 -0.20160E-11 852 0.198E-09 300 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.29104E-10 -0.18093E-12 852 0.215E-09 0.689E-10 DAV: 2 -0.242882800047E+04 0.29104E-10 0.54327E-12 852 0.213E-09 301 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.17462E-09 0.31113E-11 852 0.182E-09 0.618E-10 DAV: 2 -0.242882800047E+04 0.58208E-10 0.47003E-11 852 0.196E-09 302 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.17462E-09 0.30757E-12 852 0.193E-09 0.713E-10 DAV: 2 -0.242882800047E+04 0.43656E-10 -0.10123E-10 852 0.215E-09 303 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.17462E-09 0.22282E-12 852 0.183E-09 0.673E-10 DAV: 2 -0.242882800047E+04 -0.29104E-10 0.39285E-11 852 0.175E-09 304 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.14552E-10 0.15366E-11 852 0.202E-09 0.707E-10 DAV: 2 -0.242882800047E+04 0.13097E-09 -0.13081E-11 852 0.205E-09 305 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.43656E-10 0.15685E-11 852 0.200E-09 0.720E-10 DAV: 2 -0.242882800047E+04 0.58208E-10 -0.21242E-11 852 0.166E-09 306 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.00000E+00 0.17752E-11 852 0.173E-09 0.636E-10 DAV: 2 -0.242882800047E+04 0.72760E-10 0.62051E-11 852 0.185E-09 307 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.14552E-09 -0.10011E-11 852 0.193E-09 0.644E-10 DAV: 2 -0.242882800047E+04 -0.58208E-10 0.14252E-11 852 0.216E-09 308 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.13097E-09 -0.12728E-11 852 0.222E-09 0.666E-10 DAV: 2 -0.242882800047E+04 0.00000E+00 0.15275E-11 852 0.218E-09 309 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.14552E-10 0.12493E-11 852 0.219E-09 0.698E-10 DAV: 2 -0.242882800047E+04 0.00000E+00 -0.58539E-12 852 0.198E-09 310 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.00000E+00 0.80792E-12 852 0.216E-09 0.761E-10 DAV: 2 -0.242882800047E+04 -0.58208E-10 -0.14761E-11 852 0.202E-09 311 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.11642E-09 0.31708E-11 852 0.181E-09 0.599E-10 DAV: 2 -0.242882800047E+04 0.72760E-10 0.39687E-11 852 0.170E-09 312 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.72760E-10 -0.70113E-12 852 0.203E-09 0.790E-10 DAV: 2 -0.242882800047E+04 0.72760E-10 -0.47463E-11 852 0.212E-09 313 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.14552E-10 -0.10377E-12 852 0.233E-09 0.782E-10 DAV: 2 -0.242882800047E+04 0.58208E-10 0.48208E-11 852 0.218E-09 314 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.14552E-09 -0.13740E-11 852 0.185E-09 0.644E-10 DAV: 2 -0.242882800047E+04 -0.14552E-09 -0.55251E-11 852 0.194E-09 315 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.29104E-10 0.30077E-12 852 0.191E-09 0.610E-10 DAV: 2 -0.242882800047E+04 -0.26193E-09 0.21256E-12 852 0.202E-09 316 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.17462E-09 -0.91216E-12 852 0.215E-09 0.679E-10 DAV: 2 -0.242882800047E+04 0.10186E-09 -0.32978E-11 852 0.201E-09 317 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.11642E-09 -0.10076E-11 852 0.197E-09 0.675E-10 DAV: 2 -0.242882800047E+04 0.30559E-09 -0.89333E-11 852 0.186E-09 318 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.29104E-10 -0.31697E-11 852 0.205E-09 0.665E-10 DAV: 2 -0.242882800047E+04 -0.11642E-09 -0.51517E-11 852 0.197E-09 319 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.29104E-10 0.24488E-11 852 0.179E-09 0.602E-10 DAV: 2 -0.242882800047E+04 0.87311E-10 -0.18531E-11 852 0.165E-09 320 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.11642E-09 -0.73832E-12 852 0.205E-09 0.695E-10 DAV: 2 -0.242882800047E+04 0.10186E-09 -0.57191E-12 852 0.211E-09 321 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.58208E-10 -0.84898E-12 852 0.188E-09 0.636E-10 DAV: 2 -0.242882800047E+04 0.29104E-10 0.16108E-11 852 0.184E-09 322 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.10186E-09 -0.82161E-12 852 0.160E-09 0.615E-10 DAV: 2 -0.242882800047E+04 0.72760E-10 0.59411E-11 852 0.215E-09 323 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.16007E-09 0.41476E-11 852 0.184E-09 0.616E-10 DAV: 2 -0.242882800047E+04 0.29104E-10 -0.25107E-11 852 0.178E-09 324 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.87311E-10 -0.12388E-11 852 0.197E-09 0.711E-10 DAV: 2 -0.242882800047E+04 0.17462E-09 -0.52674E-11 852 0.178E-09 325 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.14552E-09 0.45784E-13 852 0.188E-09 0.646E-10 DAV: 2 -0.242882800047E+04 -0.43656E-10 -0.39186E-12 852 0.174E-09 326 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.58208E-10 -0.20759E-11 852 0.172E-09 0.637E-10 DAV: 2 -0.242882800047E+04 -0.14552E-10 -0.88809E-11 852 0.205E-09 327 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.87311E-10 0.18904E-11 852 0.196E-09 0.729E-10 DAV: 2 -0.242882800047E+04 -0.29104E-10 -0.33856E-11 852 0.216E-09 328 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.29104E-10 0.22255E-11 852 0.187E-09 0.662E-10 DAV: 2 -0.242882800047E+04 -0.87311E-10 0.22256E-11 852 0.201E-09 329 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.14552E-10 0.16171E-11 852 0.201E-09 0.728E-10 DAV: 2 -0.242882800047E+04 -0.10186E-09 -0.25841E-11 852 0.197E-09 330 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.43656E-10 -0.11832E-11 852 0.185E-09 0.719E-10 DAV: 2 -0.242882800047E+04 -0.29104E-10 -0.79053E-11 852 0.198E-09 331 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.14552E-10 -0.17023E-12 852 0.186E-09 0.649E-10 DAV: 2 -0.242882800047E+04 -0.72760E-10 0.70517E-12 852 0.182E-09 332 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.72760E-10 -0.95713E-13 852 0.223E-09 0.728E-10 DAV: 2 -0.242882800047E+04 0.29104E-09 -0.37180E-11 852 0.188E-09 333 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.87311E-10 0.65473E-12 852 0.199E-09 0.644E-10 DAV: 2 -0.242882800047E+04 0.17462E-09 -0.11114E-11 852 0.177E-09 334 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.29104E-10 0.23888E-12 852 0.167E-09 0.668E-10 DAV: 2 -0.242882800047E+04 0.87311E-10 0.19539E-11 852 0.186E-09 335 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.20373E-09 0.21706E-11 852 0.186E-09 0.717E-10 DAV: 2 -0.242882800047E+04 -0.58208E-10 0.67996E-12 852 0.218E-09 336 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.29104E-10 0.15275E-11 852 0.213E-09 0.707E-10 DAV: 2 -0.242882800047E+04 0.58208E-10 -0.28792E-11 852 0.193E-09 337 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.11642E-09 0.43824E-12 852 0.203E-09 0.672E-10 DAV: 2 -0.242882800047E+04 0.43656E-10 -0.76281E-11 852 0.195E-09 338 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.11642E-09 -0.54695E-12 852 0.215E-09 0.711E-10 DAV: 2 -0.242882800047E+04 0.87311E-10 -0.40061E-11 852 0.210E-09 339 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.29104E-10 -0.56663E-12 852 0.202E-09 0.662E-10 DAV: 2 -0.242882800047E+04 -0.29104E-10 -0.13971E-11 852 0.179E-09 340 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.43656E-10 -0.31601E-12 852 0.173E-09 0.686E-10 DAV: 2 -0.242882800047E+04 -0.87311E-10 0.30249E-13 852 0.197E-09 341 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.72760E-10 0.34216E-12 852 0.175E-09 0.686E-10 DAV: 2 -0.242882800047E+04 -0.23283E-09 0.20035E-11 852 0.208E-09 342 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.21828E-09 0.34862E-12 852 0.184E-09 0.640E-10 DAV: 2 -0.242882800047E+04 -0.29104E-10 -0.10042E-10 852 0.179E-09 343 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.43656E-10 -0.20123E-11 852 0.168E-09 0.639E-10 DAV: 2 -0.242882800047E+04 0.72760E-10 -0.85041E-11 852 0.185E-09 344 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.10186E-09 -0.10794E-11 852 0.199E-09 0.669E-10 DAV: 2 -0.242882800047E+04 -0.58208E-10 -0.20077E-11 852 0.207E-09 345 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.16007E-09 0.16187E-11 852 0.223E-09 0.713E-10 DAV: 2 -0.242882800047E+04 0.00000E+00 -0.59175E-12 852 0.166E-09 346 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.58208E-10 -0.19707E-12 852 0.163E-09 0.629E-10 DAV: 2 -0.242882800047E+04 0.14552E-09 0.49845E-12 852 0.194E-09 347 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.58208E-10 0.67164E-13 852 0.183E-09 0.667E-10 DAV: 2 -0.242882800047E+04 0.58208E-10 0.40274E-11 852 0.235E-09 348 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.87311E-10 0.26463E-12 852 0.237E-09 0.711E-10 DAV: 2 -0.242882800047E+04 -0.14552E-10 -0.26201E-11 852 0.212E-09 349 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.16007E-09 -0.92784E-12 852 0.205E-09 0.648E-10 DAV: 2 -0.242882800047E+04 0.20373E-09 -0.99288E-12 852 0.191E-09 350 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.14552E-10 0.28060E-12 852 0.205E-09 0.681E-10 DAV: 2 -0.242882800047E+04 0.30559E-09 -0.38145E-11 852 0.198E-09 351 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.17462E-09 0.13997E-11 852 0.205E-09 0.655E-10 DAV: 2 -0.242882800047E+04 -0.87311E-10 -0.51241E-11 852 0.184E-09 352 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.58208E-10 0.11256E-11 852 0.192E-09 0.710E-10 DAV: 2 -0.242882800047E+04 0.87311E-10 -0.45826E-11 852 0.187E-09 353 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.29104E-10 -0.10657E-11 852 0.189E-09 0.642E-10 DAV: 2 -0.242882800047E+04 0.29104E-10 -0.10196E-11 852 0.181E-09 354 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.17462E-09 0.30930E-11 852 0.184E-09 0.676E-10 DAV: 2 -0.242882800047E+04 -0.87311E-10 0.75639E-12 852 0.193E-09 355 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.11642E-09 -0.67915E-13 852 0.193E-09 0.748E-10 DAV: 2 -0.242882800047E+04 -0.14552E-09 0.10493E-11 852 0.218E-09 356 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.14552E-10 -0.86902E-12 852 0.204E-09 0.708E-10 DAV: 2 -0.242882800047E+04 0.43656E-10 -0.46985E-11 852 0.184E-09 357 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.14552E-10 -0.20157E-12 852 0.218E-09 0.786E-10 DAV: 2 -0.242882800047E+04 -0.11642E-09 -0.33901E-11 852 0.247E-09 358 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.16007E-09 0.55897E-12 852 0.214E-09 0.703E-10 DAV: 2 -0.242882800047E+04 0.16007E-09 -0.51501E-11 852 0.181E-09 359 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.72760E-10 0.12220E-11 852 0.196E-09 0.668E-10 DAV: 2 -0.242882800047E+04 0.14552E-10 -0.71352E-11 852 0.193E-09 360 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.58208E-10 -0.94319E-12 852 0.204E-09 0.712E-10 DAV: 2 -0.242882800047E+04 0.87311E-10 -0.36275E-11 852 0.201E-09 361 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.72760E-10 0.61503E-12 852 0.187E-09 0.702E-10 DAV: 2 -0.242882800047E+04 0.16007E-09 -0.29024E-12 852 0.191E-09 362 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.58208E-10 -0.54328E-13 852 0.178E-09 0.726E-10 DAV: 2 -0.242882800047E+04 -0.72760E-10 -0.65759E-11 852 0.197E-09 363 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.29104E-10 0.41951E-12 852 0.194E-09 0.726E-10 DAV: 2 -0.242882800047E+04 -0.13097E-09 -0.93033E-12 852 0.210E-09 364 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.21828E-09 -0.20517E-11 852 0.212E-09 0.749E-10 DAV: 2 -0.242882800047E+04 0.58208E-10 -0.12694E-11 852 0.199E-09 365 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.13097E-09 0.58567E-13 852 0.193E-09 0.707E-10 DAV: 2 -0.242882800047E+04 0.18917E-09 -0.62954E-11 852 0.170E-09 366 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.14552E-09 0.84360E-12 852 0.168E-09 0.644E-10 DAV: 2 -0.242882800047E+04 -0.43656E-10 0.18034E-11 852 0.187E-09 367 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.29104E-10 0.11359E-11 852 0.193E-09 0.668E-10 DAV: 2 -0.242882800047E+04 -0.23283E-09 -0.74182E-12 852 0.171E-09 368 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.14552E-10 0.78433E-12 852 0.164E-09 0.644E-10 DAV: 2 -0.242882800047E+04 0.00000E+00 0.40383E-11 852 0.176E-09 369 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.00000E+00 0.23834E-11 852 0.196E-09 0.710E-10 DAV: 2 -0.242882800047E+04 -0.17462E-09 -0.33247E-11 852 0.191E-09 370 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.87311E-10 -0.13627E-11 852 0.185E-09 0.611E-10 DAV: 2 -0.242882800047E+04 0.14552E-09 -0.39015E-11 852 0.205E-09 371 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.58208E-10 0.89166E-12 852 0.225E-09 0.695E-10 DAV: 2 -0.242882800047E+04 0.58208E-10 -0.71360E-11 852 0.178E-09 372 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.72760E-10 0.31217E-11 852 0.206E-09 0.639E-10 DAV: 2 -0.242882800047E+04 -0.29104E-10 0.28715E-11 852 0.197E-09 373 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.17462E-09 0.50006E-12 852 0.181E-09 0.614E-10 DAV: 2 -0.242882800047E+04 -0.18917E-09 0.14170E-11 852 0.186E-09 374 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.21828E-09 -0.50096E-12 852 0.214E-09 0.682E-10 DAV: 2 -0.242882800047E+04 0.58208E-10 -0.63105E-11 852 0.168E-09 375 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.58208E-10 -0.74987E-12 852 0.191E-09 0.661E-10 DAV: 2 -0.242882800047E+04 0.23283E-09 0.45973E-11 852 0.177E-09 376 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.26193E-09 0.19034E-12 852 0.199E-09 0.699E-10 DAV: 2 -0.242882800047E+04 0.00000E+00 -0.62873E-13 852 0.207E-09 377 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.14552E-09 -0.10461E-11 852 0.167E-09 0.612E-10 DAV: 2 -0.242882800047E+04 -0.29104E-10 -0.28539E-11 852 0.184E-09 378 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.72760E-10 -0.13843E-11 852 0.201E-09 0.666E-10 DAV: 2 -0.242882800047E+04 -0.13097E-09 -0.27789E-11 852 0.203E-09 379 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.72760E-10 0.20845E-11 852 0.210E-09 0.644E-10 DAV: 2 -0.242882800047E+04 0.87311E-10 -0.28024E-11 852 0.206E-09 380 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.58208E-10 0.48381E-12 852 0.193E-09 0.712E-10 DAV: 2 -0.242882800047E+04 0.00000E+00 -0.49407E-12 852 0.215E-09 381 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.13097E-09 0.21056E-11 852 0.186E-09 0.650E-10 DAV: 2 -0.242882800047E+04 0.58208E-10 0.61634E-11 852 0.172E-09 382 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.72760E-10 -0.32001E-11 852 0.173E-09 0.715E-10 DAV: 2 -0.242882800047E+04 0.14552E-09 0.45260E-12 852 0.178E-09 383 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.20373E-09 -0.92055E-13 852 0.204E-09 0.681E-10 DAV: 2 -0.242882800047E+04 -0.29104E-10 0.68460E-12 852 0.202E-09 384 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.87311E-10 -0.48518E-12 852 0.205E-09 0.617E-10 DAV: 2 -0.242882800047E+04 -0.87311E-10 -0.33748E-11 852 0.176E-09 385 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.20373E-09 -0.10043E-11 852 0.194E-09 0.701E-10 DAV: 2 -0.242882800047E+04 0.43656E-10 -0.26799E-11 852 0.184E-09 386 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.00000E+00 0.13416E-11 852 0.177E-09 0.679E-10 DAV: 2 -0.242882800047E+04 0.20373E-09 -0.22115E-11 852 0.208E-09 387 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.20373E-09 0.12153E-11 852 0.217E-09 0.683E-10 DAV: 2 -0.242882800047E+04 0.00000E+00 -0.40224E-11 852 0.195E-09 388 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.58208E-10 0.87337E-12 852 0.197E-09 0.676E-10 DAV: 2 -0.242882800047E+04 -0.14552E-10 -0.50111E-11 852 0.183E-09 389 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.11642E-09 0.80476E-12 852 0.204E-09 0.656E-10 DAV: 2 -0.242882800047E+04 -0.87311E-10 -0.67265E-12 852 0.199E-09 390 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.18917E-09 0.13747E-11 852 0.185E-09 0.637E-10 DAV: 2 -0.242882800047E+04 0.10186E-09 0.61590E-13 852 0.186E-09 391 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.43656E-10 -0.96099E-12 852 0.178E-09 0.602E-10 DAV: 2 -0.242882800047E+04 0.13097E-09 -0.23791E-11 852 0.194E-09 392 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.87311E-10 -0.19331E-11 852 0.187E-09 0.733E-10 DAV: 2 -0.242882800047E+04 -0.29104E-10 -0.32777E-11 852 0.195E-09 393 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.87311E-10 0.44305E-12 852 0.211E-09 0.730E-10 DAV: 2 -0.242882800047E+04 -0.29104E-10 -0.47190E-11 852 0.212E-09 394 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.29104E-10 -0.61159E-12 852 0.211E-09 0.700E-10 DAV: 2 -0.242882800047E+04 0.14552E-09 0.39597E-11 852 0.209E-09 395 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.29104E-10 -0.58359E-12 852 0.207E-09 0.624E-10 DAV: 2 -0.242882800047E+04 0.29104E-10 -0.13003E-11 852 0.188E-09 396 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.13097E-09 0.34589E-11 852 0.187E-09 0.638E-10 DAV: 2 -0.242882800047E+04 -0.10186E-09 0.24262E-11 852 0.215E-09 397 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.21828E-09 0.73261E-12 852 0.205E-09 0.693E-10 DAV: 2 -0.242882800047E+04 0.10186E-09 0.79380E-11 852 0.185E-09 398 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.18917E-09 0.41340E-11 852 0.188E-09 0.739E-10 DAV: 2 -0.242882800047E+04 -0.43656E-10 0.14576E-11 852 0.208E-09 399 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.13097E-09 -0.15356E-11 852 0.210E-09 0.717E-10 DAV: 2 -0.242882800047E+04 0.18917E-09 0.39900E-11 852 0.218E-09 400 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.29104E-10 0.25940E-11 852 0.180E-09 0.686E-10 DAV: 2 -0.242882800047E+04 0.00000E+00 -0.11869E-11 852 0.186E-09 401 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.18917E-09 0.92959E-12 852 0.194E-09 0.669E-10 DAV: 2 -0.242882800047E+04 -0.14552E-10 0.99055E-12 852 0.199E-09 402 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.21828E-09 0.31408E-11 852 0.173E-09 0.615E-10 DAV: 2 -0.242882800047E+04 0.87311E-10 0.10677E-11 852 0.173E-09 403 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.00000E+00 -0.43959E-12 852 0.184E-09 0.619E-10 DAV: 2 -0.242882800047E+04 0.58208E-10 0.30529E-11 852 0.207E-09 404 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.11642E-09 -0.31528E-12 852 0.181E-09 0.620E-10 DAV: 2 -0.242882800047E+04 -0.58208E-10 -0.43867E-12 852 0.157E-09 405 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.29104E-10 0.21660E-11 852 0.184E-09 0.656E-10 DAV: 2 -0.242882800047E+04 0.72760E-10 0.88513E-12 852 0.189E-09 406 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.72760E-10 -0.38279E-12 852 0.185E-09 0.643E-10 DAV: 2 -0.242882800047E+04 -0.16007E-09 0.26909E-11 852 0.199E-09 407 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.18917E-09 -0.26097E-12 852 0.207E-09 0.703E-10 DAV: 2 -0.242882800047E+04 0.29104E-10 -0.61468E-11 852 0.188E-09 408 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.23283E-09 0.12244E-11 852 0.200E-09 0.758E-10 DAV: 2 -0.242882800047E+04 -0.58208E-10 -0.11152E-11 852 0.210E-09 409 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.11642E-09 0.17673E-11 852 0.206E-09 0.683E-10 DAV: 2 -0.242882800047E+04 -0.58208E-10 -0.49925E-11 852 0.184E-09 410 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.58208E-10 -0.30650E-12 852 0.190E-09 0.671E-10 DAV: 2 -0.242882800047E+04 0.14552E-09 0.33139E-11 852 0.192E-09 411 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.13097E-09 0.10266E-11 852 0.195E-09 0.697E-10 DAV: 2 -0.242882800047E+04 -0.18917E-09 0.23242E-11 852 0.204E-09 412 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.14552E-10 -0.24681E-11 852 0.197E-09 0.672E-10 DAV: 2 -0.242882800047E+04 -0.58208E-10 0.53278E-12 852 0.194E-09 413 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.11642E-09 0.34483E-11 852 0.203E-09 0.720E-10 DAV: 2 -0.242882800047E+04 -0.29104E-10 -0.28487E-11 852 0.209E-09 414 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.14552E-10 0.82009E-12 852 0.211E-09 0.670E-10 DAV: 2 -0.242882800047E+04 -0.72760E-10 -0.31063E-12 852 0.180E-09 415 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.87311E-10 -0.52868E-12 852 0.191E-09 0.648E-10 DAV: 2 -0.242882800047E+04 -0.43656E-10 -0.81937E-12 852 0.209E-09 416 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.14552E-10 0.10601E-11 852 0.215E-09 0.675E-10 DAV: 2 -0.242882800047E+04 -0.14552E-09 -0.14277E-11 852 0.203E-09 417 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.72760E-10 -0.68456E-12 852 0.176E-09 0.655E-10 DAV: 2 -0.242882800047E+04 0.14552E-10 0.42677E-11 852 0.198E-09 418 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.14552E-10 -0.25802E-11 852 0.172E-09 0.636E-10 DAV: 2 -0.242882800047E+04 -0.11642E-09 0.88840E-11 852 0.160E-09 419 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.11642E-09 -0.75854E-12 852 0.186E-09 0.691E-10 DAV: 2 -0.242882800047E+04 0.14552E-09 0.68847E-14 852 0.206E-09 420 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.58208E-10 0.34542E-11 852 0.183E-09 0.651E-10 DAV: 2 -0.242882800047E+04 0.10186E-09 -0.82565E-11 852 0.193E-09 421 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.14552E-09 -0.13554E-11 852 0.202E-09 0.604E-10 DAV: 2 -0.242882800047E+04 0.58208E-10 0.34644E-11 852 0.202E-09 422 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.87311E-10 0.11033E-11 852 0.190E-09 0.669E-10 DAV: 2 -0.242882800047E+04 0.87311E-10 -0.34419E-11 852 0.197E-09 423 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.14552E-10 -0.30816E-11 852 0.206E-09 0.686E-10 DAV: 2 -0.242882800047E+04 0.18917E-09 0.31567E-12 852 0.198E-09 424 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.13097E-09 0.49636E-12 852 0.208E-09 0.706E-10 DAV: 2 -0.242882800047E+04 0.43656E-10 -0.62217E-12 852 0.182E-09 425 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.87311E-10 0.10299E-12 852 0.191E-09 0.724E-10 DAV: 2 -0.242882800047E+04 0.11642E-09 -0.82741E-11 852 0.176E-09 426 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.16007E-09 0.38217E-12 852 0.192E-09 0.610E-10 DAV: 2 -0.242882800047E+04 -0.87311E-10 -0.26959E-13 852 0.192E-09 427 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.13097E-09 0.13305E-11 852 0.215E-09 0.693E-10 DAV: 2 -0.242882800047E+04 0.87311E-10 0.40240E-11 852 0.213E-09 428 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.14552E-10 0.26399E-11 852 0.182E-09 0.696E-10 DAV: 2 -0.242882800047E+04 -0.29104E-10 -0.41053E-11 852 0.191E-09 429 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.43656E-10 0.19708E-11 852 0.187E-09 0.633E-10 DAV: 2 -0.242882800047E+04 0.20373E-09 0.38867E-11 852 0.169E-09 430 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.14552E-09 -0.14542E-11 852 0.203E-09 0.754E-10 DAV: 2 -0.242882800047E+04 -0.13097E-09 0.12010E-11 852 0.179E-09 431 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.87311E-10 0.62740E-12 852 0.202E-09 0.748E-10 DAV: 2 -0.242882800047E+04 0.58208E-10 -0.92595E-13 852 0.216E-09 432 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.43656E-10 -0.54226E-12 852 0.197E-09 0.668E-10 DAV: 2 -0.242882800047E+04 0.72760E-10 -0.23158E-12 852 0.199E-09 433 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.72760E-10 -0.20978E-11 852 0.193E-09 0.678E-10 DAV: 2 -0.242882800047E+04 0.29104E-10 0.24549E-11 852 0.229E-09 434 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.27649E-09 0.15666E-11 852 0.186E-09 0.693E-10 DAV: 2 -0.242882800047E+04 -0.18917E-09 0.49247E-11 852 0.187E-09 435 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.21828E-09 -0.51008E-12 852 0.204E-09 0.656E-10 DAV: 2 -0.242882800047E+04 -0.29104E-10 0.40143E-11 852 0.195E-09 436 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.87311E-10 0.10303E-11 852 0.210E-09 0.725E-10 DAV: 2 -0.242882800047E+04 0.11642E-09 -0.30150E-11 852 0.207E-09 437 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.58208E-10 -0.27403E-12 852 0.190E-09 0.667E-10 DAV: 2 -0.242882800047E+04 -0.29104E-10 0.41627E-12 852 0.199E-09 438 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.00000E+00 -0.12347E-12 852 0.193E-09 0.603E-10 DAV: 2 -0.242882800047E+04 0.11642E-09 0.46967E-12 852 0.211E-09 439 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.29104E-10 -0.52271E-12 852 0.195E-09 0.672E-10 DAV: 2 -0.242882800047E+04 0.00000E+00 -0.71962E-11 852 0.177E-09 440 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.00000E+00 -0.79177E-12 852 0.185E-09 0.597E-10 DAV: 2 -0.242882800047E+04 0.29104E-10 -0.49315E-11 852 0.214E-09 441 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.14552E-10 0.28700E-13 852 0.222E-09 0.708E-10 DAV: 2 -0.242882800047E+04 -0.43656E-10 -0.66468E-11 852 0.209E-09 442 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.13097E-09 -0.97994E-12 852 0.219E-09 0.734E-10 DAV: 2 -0.242882800047E+04 -0.14552E-09 0.59714E-11 852 0.213E-09 443 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.20373E-09 0.67052E-12 852 0.204E-09 0.669E-10 DAV: 2 -0.242882800047E+04 0.58208E-10 0.18794E-11 852 0.178E-09 444 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.14552E-10 -0.18842E-11 852 0.214E-09 0.699E-10 DAV: 2 -0.242882800047E+04 -0.14552E-10 0.40140E-12 852 0.193E-09 445 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.11642E-09 0.19960E-11 852 0.178E-09 0.721E-10 DAV: 2 -0.242882800047E+04 -0.43656E-10 0.39689E-11 852 0.202E-09 446 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.14552E-10 0.18321E-11 852 0.187E-09 0.706E-10 DAV: 2 -0.242882800047E+04 -0.87311E-10 -0.10623E-10 852 0.208E-09 447 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.14552E-10 0.16002E-11 852 0.201E-09 0.719E-10 DAV: 2 -0.242882800047E+04 -0.14552E-10 -0.46015E-12 852 0.193E-09 448 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.43656E-10 -0.75886E-13 852 0.213E-09 0.767E-10 DAV: 2 -0.242882800047E+04 -0.18917E-09 -0.11930E-11 852 0.209E-09 449 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.11642E-09 0.68169E-12 852 0.206E-09 0.722E-10 DAV: 2 -0.242882800047E+04 0.23283E-09 -0.32850E-11 852 0.209E-09 450 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.58208E-10 0.14343E-11 852 0.211E-09 0.783E-10 DAV: 2 -0.242882800047E+04 0.58208E-10 -0.64365E-12 852 0.218E-09 451 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.18917E-09 -0.60666E-12 852 0.219E-09 0.793E-10 DAV: 2 -0.242882800047E+04 -0.24738E-09 0.10983E-11 852 0.227E-09 452 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.21828E-09 -0.98633E-12 852 0.174E-09 0.677E-10 DAV: 2 -0.242882800047E+04 -0.11642E-09 -0.23687E-11 852 0.175E-09 453 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.58208E-10 0.95917E-13 852 0.165E-09 0.695E-10 DAV: 2 -0.242882800047E+04 0.00000E+00 -0.59694E-11 852 0.186E-09 454 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.00000E+00 -0.10300E-11 852 0.187E-09 0.673E-10 DAV: 2 -0.242882800047E+04 0.00000E+00 -0.19386E-11 852 0.174E-09 455 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.58208E-10 -0.87367E-12 852 0.183E-09 0.643E-10 DAV: 2 -0.242882800047E+04 0.43656E-10 -0.13916E-11 852 0.191E-09 456 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.29104E-10 0.32192E-12 852 0.214E-09 0.674E-10 DAV: 2 -0.242882800047E+04 0.87311E-10 0.19490E-13 852 0.180E-09 457 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.87311E-10 0.98767E-12 852 0.189E-09 0.702E-10 DAV: 2 -0.242882800047E+04 0.58208E-10 -0.40621E-11 852 0.181E-09 458 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.00000E+00 -0.15163E-11 852 0.203E-09 0.721E-10 DAV: 2 -0.242882800047E+04 0.87311E-10 0.99272E-11 852 0.193E-09 459 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.87311E-10 -0.20459E-11 852 0.201E-09 0.647E-10 DAV: 2 -0.242882800047E+04 0.14552E-10 -0.43755E-11 852 0.213E-09 460 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.87311E-10 -0.63583E-13 852 0.201E-09 0.642E-10 DAV: 2 -0.242882800047E+04 0.17462E-09 0.34922E-11 852 0.181E-09 461 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.14552E-09 0.42904E-12 852 0.178E-09 0.703E-10 DAV: 2 -0.242882800047E+04 -0.17462E-09 -0.27188E-11 852 0.189E-09 462 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.87311E-10 -0.53875E-12 852 0.178E-09 0.662E-10 DAV: 2 -0.242882800047E+04 0.87311E-10 -0.65301E-11 852 0.195E-09 463 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.29104E-10 -0.17017E-11 852 0.180E-09 0.660E-10 DAV: 2 -0.242882800047E+04 0.29104E-10 -0.20469E-11 852 0.184E-09 464 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.29104E-10 0.72411E-12 852 0.203E-09 0.709E-10 DAV: 2 -0.242882800047E+04 -0.14552E-10 -0.36202E-11 852 0.170E-09 465 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.29104E-10 -0.76389E-12 852 0.178E-09 0.746E-10 DAV: 2 -0.242882800047E+04 -0.43656E-10 -0.21696E-11 852 0.177E-09 466 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.87311E-10 -0.11531E-11 852 0.194E-09 0.713E-10 DAV: 2 -0.242882800047E+04 -0.87311E-10 -0.40663E-11 852 0.190E-09 467 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.87311E-10 0.14322E-11 852 0.186E-09 0.653E-10 DAV: 2 -0.242882800047E+04 -0.29104E-10 -0.32065E-11 852 0.187E-09 468 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.87311E-10 0.45100E-12 852 0.191E-09 0.662E-10 DAV: 2 -0.242882800047E+04 -0.87311E-10 0.45454E-11 852 0.202E-09 469 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.10186E-09 -0.16183E-11 852 0.163E-09 0.675E-10 DAV: 2 -0.242882800047E+04 -0.10186E-09 -0.54675E-11 852 0.182E-09 470 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.11642E-09 -0.13032E-11 852 0.183E-09 0.642E-10 DAV: 2 -0.242882800047E+04 0.87311E-10 0.50109E-11 852 0.183E-09 471 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.29104E-10 0.24554E-12 852 0.187E-09 0.691E-10 DAV: 2 -0.242882800047E+04 -0.29104E-10 -0.75807E-11 852 0.190E-09 472 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.13097E-09 -0.15866E-11 852 0.196E-09 0.661E-10 DAV: 2 -0.242882800047E+04 -0.26193E-09 0.23139E-11 852 0.187E-09 473 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.14552E-09 -0.57986E-12 852 0.193E-09 0.653E-10 DAV: 2 -0.242882800047E+04 0.87311E-10 0.13654E-11 852 0.206E-09 474 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.17462E-09 0.93804E-12 852 0.170E-09 0.652E-10 DAV: 2 -0.242882800047E+04 -0.14552E-09 0.67644E-11 852 0.182E-09 475 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.72760E-10 -0.68986E-12 852 0.207E-09 0.711E-10 DAV: 2 -0.242882800047E+04 -0.11642E-09 -0.83165E-11 852 0.207E-09 476 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.72760E-10 0.17769E-11 852 0.164E-09 0.691E-10 DAV: 2 -0.242882800047E+04 0.29104E-10 0.39231E-11 852 0.173E-09 477 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.87311E-10 -0.26682E-12 852 0.178E-09 0.625E-10 DAV: 2 -0.242882800047E+04 -0.14552E-09 0.47776E-11 852 0.194E-09 478 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.87311E-10 -0.10020E-11 852 0.190E-09 0.586E-10 DAV: 2 -0.242882800047E+04 0.29104E-10 0.74087E-11 852 0.155E-09 479 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.29104E-10 -0.10909E-11 852 0.177E-09 0.696E-10 DAV: 2 -0.242882800047E+04 -0.29104E-10 -0.22096E-11 852 0.193E-09 480 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.58208E-10 -0.20809E-11 852 0.192E-09 0.719E-10 DAV: 2 -0.242882800047E+04 0.72760E-10 -0.37094E-11 852 0.199E-09 481 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.29104E-10 -0.68911E-12 852 0.216E-09 0.750E-10 DAV: 2 -0.242882800047E+04 -0.43656E-10 -0.20851E-11 852 0.188E-09 482 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.14552E-10 0.12833E-11 852 0.192E-09 0.656E-10 DAV: 2 -0.242882800047E+04 -0.14552E-10 -0.37553E-11 852 0.176E-09 483 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.87311E-10 -0.11955E-11 852 0.191E-09 0.644E-10 DAV: 2 -0.242882800047E+04 0.72760E-10 -0.14660E-11 852 0.196E-09 484 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.16007E-09 0.80693E-12 852 0.189E-09 0.650E-10 DAV: 2 -0.242882800047E+04 0.11642E-09 -0.14732E-11 852 0.214E-09 485 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.29104E-10 0.11461E-11 852 0.193E-09 0.655E-10 DAV: 2 -0.242882800047E+04 0.18917E-09 -0.14408E-11 852 0.198E-09 486 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.17462E-09 0.34928E-12 852 0.168E-09 0.659E-10 DAV: 2 -0.242882800047E+04 0.58208E-10 -0.19990E-11 852 0.184E-09 487 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.14552E-09 0.13641E-11 852 0.189E-09 0.715E-10 DAV: 2 -0.242882800047E+04 0.23283E-09 0.39278E-11 852 0.194E-09 488 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.17462E-09 0.13490E-11 852 0.183E-09 0.654E-10 DAV: 2 -0.242882800047E+04 -0.29104E-10 0.49436E-11 852 0.194E-09 489 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.00000E+00 0.13759E-11 852 0.221E-09 0.718E-10 DAV: 2 -0.242882800047E+04 0.58208E-10 -0.53210E-11 852 0.196E-09 490 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.14552E-10 0.93760E-12 852 0.208E-09 0.668E-10 DAV: 2 -0.242882800047E+04 -0.87311E-10 0.27267E-13 852 0.196E-09 491 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.29104E-10 -0.40615E-12 852 0.211E-09 0.698E-10 DAV: 2 -0.242882800047E+04 -0.14552E-10 0.22136E-11 852 0.161E-09 492 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.14552E-10 -0.68710E-12 852 0.170E-09 0.670E-10 DAV: 2 -0.242882800047E+04 -0.14552E-09 -0.11834E-11 852 0.178E-09 493 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.72760E-10 0.30165E-13 852 0.220E-09 0.702E-10 DAV: 2 -0.242882800047E+04 -0.43656E-10 0.18125E-11 852 0.214E-09 494 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.10186E-09 -0.14049E-11 852 0.182E-09 0.672E-10 DAV: 2 -0.242882800047E+04 0.17462E-09 0.25212E-11 852 0.181E-09 495 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.17462E-09 -0.33657E-12 852 0.203E-09 0.689E-10 DAV: 2 -0.242882800047E+04 -0.13097E-09 -0.26451E-11 852 0.194E-09 496 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.87311E-10 0.75799E-12 852 0.213E-09 0.690E-10 DAV: 2 -0.242882800047E+04 0.29104E-10 0.42514E-12 852 0.184E-09 497 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.87311E-10 0.69797E-12 852 0.192E-09 0.750E-10 DAV: 2 -0.242882800047E+04 -0.87311E-10 -0.44616E-11 852 0.207E-09 498 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.11642E-09 0.30245E-12 852 0.201E-09 0.711E-10 DAV: 2 -0.242882800047E+04 0.11642E-09 -0.32751E-11 852 0.196E-09 499 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.17462E-09 -0.25165E-12 852 0.191E-09 0.645E-10 DAV: 2 -0.242882800047E+04 -0.14552E-10 -0.23483E-11 852 0.186E-09 500 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.29104E-10 0.13407E-11 852 0.195E-09 0.681E-10 DAV: 2 -0.242882800047E+04 -0.11642E-09 -0.14696E-11 852 0.195E-09 501 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.87311E-10 -0.91802E-12 852 0.192E-09 0.697E-10 DAV: 2 -0.242882800047E+04 0.20373E-09 -0.54243E-11 852 0.203E-09 502 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.87311E-10 -0.26591E-11 852 0.197E-09 0.698E-10 DAV: 2 -0.242882800047E+04 -0.58208E-10 0.11637E-11 852 0.206E-09 503 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.13097E-09 -0.19422E-12 852 0.200E-09 0.666E-10 DAV: 2 -0.242882800047E+04 0.87311E-10 0.21428E-11 852 0.211E-09 504 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.11642E-09 0.27538E-11 852 0.217E-09 0.701E-10 DAV: 2 -0.242882800047E+04 -0.14552E-10 -0.31245E-11 852 0.189E-09 505 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.00000E+00 -0.14514E-11 852 0.190E-09 0.699E-10 DAV: 2 -0.242882800047E+04 -0.14552E-09 -0.36175E-11 852 0.180E-09 506 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.21828E-09 0.19946E-11 852 0.183E-09 0.764E-10 DAV: 2 -0.242882800047E+04 0.14552E-09 -0.45723E-11 852 0.197E-09 507 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.26193E-09 0.11712E-11 852 0.210E-09 0.756E-10 DAV: 2 -0.242882800047E+04 0.00000E+00 -0.14474E-11 852 0.195E-09 508 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.58208E-10 -0.15242E-11 852 0.176E-09 0.668E-10 DAV: 2 -0.242882800047E+04 -0.58208E-10 -0.34976E-11 852 0.187E-09 509 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.20373E-09 -0.11142E-12 852 0.182E-09 0.575E-10 DAV: 2 -0.242882800047E+04 0.43656E-10 0.12072E-11 852 0.174E-09 510 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.17462E-09 -0.11692E-12 852 0.164E-09 0.638E-10 DAV: 2 -0.242882800047E+04 0.29104E-10 -0.63974E-11 852 0.182E-09 511 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.29104E-10 -0.10946E-11 852 0.177E-09 0.654E-10 DAV: 2 -0.242882800047E+04 0.11642E-09 0.20601E-11 852 0.184E-09 512 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.58208E-10 -0.57670E-13 852 0.179E-09 0.677E-10 DAV: 2 -0.242882800047E+04 -0.14552E-09 -0.53239E-11 852 0.186E-09 513 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.72760E-10 -0.18293E-11 852 0.203E-09 0.692E-10 DAV: 2 -0.242882800047E+04 0.10186E-09 -0.37395E-11 852 0.183E-09 514 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.10186E-09 -0.16090E-11 852 0.178E-09 0.699E-10 DAV: 2 -0.242882800047E+04 0.14552E-10 -0.77235E-11 852 0.204E-09 515 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.58208E-10 0.85248E-12 852 0.193E-09 0.721E-10 DAV: 2 -0.242882800047E+04 -0.58208E-10 -0.28031E-12 852 0.184E-09 516 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.14552E-09 0.18733E-11 852 0.190E-09 0.731E-10 DAV: 2 -0.242882800047E+04 -0.43656E-10 -0.12550E-11 852 0.193E-09 517 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.29104E-09 -0.16011E-11 852 0.193E-09 0.725E-10 DAV: 2 -0.242882800047E+04 0.10186E-09 -0.20728E-12 852 0.210E-09 518 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.17462E-09 -0.63435E-12 852 0.189E-09 0.715E-10 DAV: 2 -0.242882800047E+04 0.16007E-09 -0.79404E-12 852 0.201E-09 519 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.43656E-10 -0.70996E-12 852 0.194E-09 0.732E-10 DAV: 2 -0.242882800047E+04 0.58208E-10 -0.12840E-11 852 0.223E-09 520 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.14552E-10 0.75114E-12 852 0.231E-09 0.769E-10 DAV: 2 -0.242882800047E+04 0.87311E-10 -0.14460E-11 852 0.206E-09 521 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.43656E-10 -0.10965E-11 852 0.177E-09 0.645E-10 DAV: 2 -0.242882800047E+04 0.14552E-10 0.13545E-11 852 0.183E-09 522 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.10186E-09 0.22572E-11 852 0.191E-09 0.728E-10 DAV: 2 -0.242882800047E+04 -0.20373E-09 -0.34022E-11 852 0.188E-09 523 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.14552E-09 0.36662E-12 852 0.201E-09 0.671E-10 DAV: 2 -0.242882800047E+04 0.29104E-10 0.27549E-11 852 0.186E-09 524 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.00000E+00 0.13994E-11 852 0.190E-09 0.666E-10 DAV: 2 -0.242882800047E+04 -0.14552E-09 -0.13459E-11 852 0.188E-09 525 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.58208E-10 0.95005E-12 852 0.187E-09 0.680E-10 DAV: 2 -0.242882800047E+04 -0.29104E-10 0.86729E-12 852 0.190E-09 526 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.10186E-09 -0.29178E-12 852 0.190E-09 0.671E-10 DAV: 2 -0.242882800047E+04 0.00000E+00 0.34273E-11 852 0.188E-09 527 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.21828E-09 0.13656E-11 852 0.190E-09 0.720E-10 DAV: 2 -0.242882800047E+04 0.17462E-09 0.31520E-11 852 0.183E-09 528 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.30559E-09 -0.40529E-12 852 0.176E-09 0.680E-10 DAV: 2 -0.242882800047E+04 0.00000E+00 -0.20942E-11 852 0.204E-09 529 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.16007E-09 0.26228E-13 852 0.200E-09 0.644E-10 DAV: 2 -0.242882800047E+04 -0.58208E-10 -0.15591E-10 852 0.173E-09 530 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.87311E-10 0.10983E-11 852 0.175E-09 0.599E-10 DAV: 2 -0.242882800047E+04 -0.72760E-10 0.68745E-11 852 0.158E-09 531 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.72760E-10 -0.11682E-11 852 0.192E-09 0.701E-10 DAV: 2 -0.242882800047E+04 0.14552E-10 0.88034E-11 852 0.201E-09 532 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.43656E-10 0.11362E-11 852 0.208E-09 0.664E-10 DAV: 2 -0.242882800047E+04 -0.29104E-10 -0.10864E-10 852 0.202E-09 533 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.14552E-09 0.14355E-11 852 0.239E-09 0.730E-10 DAV: 2 -0.242882800047E+04 0.58208E-10 -0.42251E-11 852 0.230E-09 534 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.17462E-09 0.80116E-13 852 0.184E-09 0.620E-10 DAV: 2 -0.242882800047E+04 -0.58208E-10 0.23500E-11 852 0.182E-09 535 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.00000E+00 0.12950E-11 852 0.193E-09 0.721E-10 DAV: 2 -0.242882800047E+04 0.00000E+00 0.42730E-11 852 0.211E-09 536 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.43656E-10 0.15899E-11 852 0.185E-09 0.720E-10 DAV: 2 -0.242882800047E+04 0.11642E-09 0.89153E-12 852 0.196E-09 537 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.14552E-10 0.28711E-11 852 0.188E-09 0.645E-10 DAV: 2 -0.242882800047E+04 0.58208E-10 0.51499E-11 852 0.190E-09 538 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.29104E-10 0.32462E-11 852 0.182E-09 0.619E-10 DAV: 2 -0.242882800047E+04 0.11642E-09 0.46830E-11 852 0.188E-09 539 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.20373E-09 -0.24438E-12 852 0.194E-09 0.651E-10 DAV: 2 -0.242882800047E+04 0.34925E-09 -0.13482E-11 852 0.186E-09 540 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.18917E-09 -0.80349E-12 852 0.190E-09 0.697E-10 DAV: 2 -0.242882800047E+04 0.14552E-10 0.18020E-11 852 0.214E-09 541 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.43656E-10 -0.32649E-12 852 0.217E-09 0.704E-10 DAV: 2 -0.242882800047E+04 0.14552E-10 0.19116E-12 852 0.235E-09 542 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.17462E-09 0.11923E-11 852 0.178E-09 0.623E-10 DAV: 2 -0.242882800047E+04 0.13097E-09 0.49582E-11 852 0.173E-09 543 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.26193E-09 0.60522E-12 852 0.211E-09 0.725E-10 DAV: 2 -0.242882800047E+04 -0.29104E-10 0.84753E-12 852 0.201E-09 544 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.29104E-10 0.77756E-12 852 0.188E-09 0.600E-10 DAV: 2 -0.242882800047E+04 -0.14552E-09 -0.24190E-11 852 0.184E-09 545 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.17462E-09 0.24064E-11 852 0.201E-09 0.704E-10 DAV: 2 -0.242882800047E+04 0.43656E-10 -0.29327E-11 852 0.206E-09 546 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.10186E-09 0.15337E-11 852 0.184E-09 0.687E-10 DAV: 2 -0.242882800047E+04 0.13097E-09 -0.28000E-11 852 0.192E-09 547 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.72760E-10 0.19752E-11 852 0.185E-09 0.655E-10 DAV: 2 -0.242882800047E+04 0.14552E-09 0.18104E-11 852 0.183E-09 548 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.14552E-09 -0.17359E-11 852 0.188E-09 0.658E-10 DAV: 2 -0.242882800047E+04 -0.13097E-09 0.25231E-11 852 0.187E-09 549 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.17462E-09 0.13177E-11 852 0.186E-09 0.713E-10 DAV: 2 -0.242882800047E+04 0.43656E-10 -0.48141E-12 852 0.192E-09 550 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.87311E-10 0.73867E-12 852 0.170E-09 0.603E-10 DAV: 2 -0.242882800047E+04 -0.13097E-09 -0.73264E-12 852 0.195E-09 551 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.43656E-10 0.14216E-11 852 0.173E-09 0.687E-10 DAV: 2 -0.242882800047E+04 0.58208E-10 -0.77961E-11 852 0.202E-09 552 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.72760E-10 0.13382E-12 852 0.204E-09 0.665E-10 DAV: 2 -0.242882800047E+04 0.11642E-09 -0.30698E-11 852 0.205E-09 553 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.43656E-10 -0.17069E-11 852 0.192E-09 0.664E-10 DAV: 2 -0.242882800047E+04 0.43656E-10 0.21865E-11 852 0.188E-09 554 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.43656E-10 -0.47059E-12 852 0.196E-09 0.646E-10 DAV: 2 -0.242882800047E+04 -0.14552E-10 0.20566E-11 852 0.196E-09 555 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.43656E-10 0.15185E-11 852 0.180E-09 0.634E-10 DAV: 2 -0.242882800047E+04 0.72760E-10 -0.36162E-11 852 0.183E-09 556 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.21828E-09 0.17090E-11 852 0.206E-09 0.728E-10 DAV: 2 -0.242882800047E+04 -0.10186E-09 -0.86712E-11 852 0.210E-09 557 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.87311E-10 -0.17807E-11 852 0.172E-09 0.629E-10 DAV: 2 -0.242882800047E+04 -0.58208E-10 -0.24793E-11 852 0.192E-09 558 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.72760E-10 -0.84916E-13 852 0.206E-09 0.677E-10 DAV: 2 -0.242882800047E+04 0.14552E-10 -0.17955E-11 852 0.214E-09 559 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.87311E-10 -0.33319E-12 852 0.211E-09 0.698E-10 DAV: 2 -0.242882800047E+04 -0.58208E-10 -0.14584E-11 852 0.199E-09 560 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.43656E-10 -0.97130E-12 852 0.205E-09 0.702E-10 DAV: 2 -0.242882800047E+04 0.72760E-10 0.69662E-12 852 0.184E-09 561 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.29104E-10 -0.62575E-13 852 0.177E-09 0.664E-10 DAV: 2 -0.242882800047E+04 0.58208E-10 0.70770E-12 852 0.201E-09 562 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.29104E-10 0.29871E-12 852 0.185E-09 0.695E-10 DAV: 2 -0.242882800047E+04 0.00000E+00 0.37636E-11 852 0.205E-09 563 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.29104E-10 -0.12707E-11 852 0.192E-09 0.664E-10 DAV: 2 -0.242882800047E+04 0.00000E+00 0.12236E-11 852 0.208E-09 564 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.43656E-10 -0.67355E-12 852 0.205E-09 0.677E-10 DAV: 2 -0.242882800047E+04 0.16007E-09 -0.40350E-11 852 0.207E-09 565 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.14552E-10 -0.24046E-11 852 0.170E-09 0.672E-10 DAV: 2 -0.242882800047E+04 0.14552E-09 -0.10233E-10 852 0.206E-09 566 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.29104E-10 0.93011E-13 852 0.205E-09 0.741E-10 DAV: 2 -0.242882800047E+04 0.29104E-10 0.72168E-12 852 0.215E-09 567 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.58208E-10 0.10845E-11 852 0.203E-09 0.720E-10 DAV: 2 -0.242882800047E+04 0.87311E-10 0.46236E-11 852 0.224E-09 568 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.00000E+00 0.22942E-12 852 0.175E-09 0.620E-10 DAV: 2 -0.242882800047E+04 0.14552E-10 -0.98606E-12 852 0.200E-09 569 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.87311E-10 0.28124E-11 852 0.190E-09 0.684E-10 DAV: 2 -0.242882800047E+04 -0.58208E-10 0.36756E-11 852 0.193E-09 570 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.58208E-10 0.30901E-12 852 0.197E-09 0.705E-10 DAV: 2 -0.242882800047E+04 0.11642E-09 -0.26028E-11 852 0.181E-09 571 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.14552E-09 -0.17006E-12 852 0.175E-09 0.729E-10 DAV: 2 -0.242882800047E+04 -0.13097E-09 0.30020E-11 852 0.221E-09 572 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.87311E-10 0.11657E-11 852 0.203E-09 0.677E-10 DAV: 2 -0.242882800047E+04 0.00000E+00 -0.13427E-10 852 0.166E-09 573 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.00000E+00 -0.63603E-12 852 0.206E-09 0.743E-10 DAV: 2 -0.242882800047E+04 -0.29104E-10 0.38145E-11 852 0.203E-09 574 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.58208E-10 0.21153E-11 852 0.190E-09 0.659E-10 DAV: 2 -0.242882800047E+04 0.29104E-10 -0.28154E-11 852 0.205E-09 575 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.00000E+00 -0.56399E-13 852 0.200E-09 0.616E-10 DAV: 2 -0.242882800047E+04 0.00000E+00 -0.79096E-12 852 0.190E-09 576 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.43656E-10 -0.66127E-12 852 0.180E-09 0.652E-10 DAV: 2 -0.242882800047E+04 0.72760E-10 0.31545E-11 852 0.198E-09 577 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.72760E-10 0.82010E-12 852 0.194E-09 0.638E-10 DAV: 2 -0.242882800047E+04 -0.72760E-10 -0.74059E-11 852 0.197E-09 578 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.16007E-09 -0.87204E-13 852 0.209E-09 0.701E-10 DAV: 2 -0.242882800047E+04 0.58208E-10 0.24201E-12 852 0.193E-09 579 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.14552E-10 -0.10766E-11 852 0.229E-09 0.781E-10 DAV: 2 -0.242882800047E+04 0.58208E-10 -0.20610E-11 852 0.210E-09 580 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.58208E-10 0.28745E-11 852 0.201E-09 0.706E-10 DAV: 2 -0.242882800047E+04 0.21828E-09 -0.89931E-11 852 0.199E-09 581 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.26193E-09 -0.57128E-12 852 0.206E-09 0.730E-10 DAV: 2 -0.242882800047E+04 -0.20373E-09 0.44594E-11 852 0.175E-09 582 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.20373E-09 -0.12141E-11 852 0.221E-09 0.774E-10 DAV: 2 -0.242882800047E+04 0.24738E-09 0.16221E-11 852 0.195E-09 583 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.00000E+00 0.49125E-12 852 0.206E-09 0.729E-10 DAV: 2 -0.242882800047E+04 -0.87311E-10 0.17341E-11 852 0.195E-09 584 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.29104E-10 -0.14592E-11 852 0.181E-09 0.637E-10 DAV: 2 -0.242882800047E+04 0.20373E-09 -0.45587E-11 852 0.169E-09 585 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.20373E-09 0.90603E-12 852 0.220E-09 0.742E-10 DAV: 2 -0.242882800047E+04 -0.18917E-09 -0.54270E-12 852 0.229E-09 586 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.29104E-10 0.42633E-12 852 0.207E-09 0.707E-10 DAV: 2 -0.242882800047E+04 -0.10186E-09 -0.19611E-11 852 0.194E-09 587 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.11642E-09 -0.89771E-12 852 0.185E-09 0.665E-10 DAV: 2 -0.242882800047E+04 0.00000E+00 -0.31049E-12 852 0.171E-09 588 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.87311E-10 0.19976E-11 852 0.184E-09 0.680E-10 DAV: 2 -0.242882800047E+04 -0.29104E-10 0.49261E-11 852 0.215E-09 589 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.87311E-10 0.87858E-13 852 0.173E-09 0.637E-10 DAV: 2 -0.242882800047E+04 0.00000E+00 0.12551E-11 852 0.198E-09 590 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.29104E-10 -0.13206E-13 852 0.195E-09 0.612E-10 DAV: 2 -0.242882800047E+04 -0.43656E-10 0.19921E-12 852 0.191E-09 591 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.18917E-09 0.93825E-13 852 0.170E-09 0.636E-10 DAV: 2 -0.242882800047E+04 -0.14552E-10 -0.13144E-11 852 0.186E-09 592 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.14552E-10 0.14492E-11 852 0.186E-09 0.712E-10 DAV: 2 -0.242882800047E+04 0.11642E-09 -0.80060E-11 852 0.201E-09 593 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.17462E-09 -0.61540E-12 852 0.181E-09 0.738E-10 DAV: 2 -0.242882800047E+04 -0.87311E-10 -0.20604E-11 852 0.229E-09 594 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.29104E-10 0.11049E-11 852 0.214E-09 0.717E-10 DAV: 2 -0.242882800047E+04 -0.87311E-10 0.16043E-11 852 0.206E-09 595 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.29104E-10 0.22771E-11 852 0.174E-09 0.662E-10 DAV: 2 -0.242882800047E+04 0.43656E-10 0.11391E-11 852 0.182E-09 596 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.10186E-09 0.14585E-11 852 0.205E-09 0.755E-10 DAV: 2 -0.242882800047E+04 0.13097E-09 -0.51961E-11 852 0.210E-09 597 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.14552E-10 0.10107E-11 852 0.204E-09 0.681E-10 DAV: 2 -0.242882800047E+04 -0.14552E-09 -0.41955E-11 852 0.175E-09 598 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.29104E-10 0.12934E-11 852 0.168E-09 0.606E-10 DAV: 2 -0.242882800047E+04 -0.58208E-10 0.17875E-11 852 0.196E-09 599 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.72760E-10 0.25696E-11 852 0.191E-09 0.625E-10 DAV: 2 -0.242882800047E+04 -0.14552E-10 -0.23531E-11 852 0.200E-09 600 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.72760E-10 0.89194E-13 852 0.201E-09 0.648E-10 DAV: 2 -0.242882800047E+04 0.11642E-09 -0.16976E-11 852 0.210E-09 601 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.14552E-09 0.61099E-12 852 0.191E-09 0.658E-10 DAV: 2 -0.242882800047E+04 -0.16007E-09 0.37874E-11 852 0.174E-09 602 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.29104E-10 -0.62102E-13 852 0.180E-09 0.656E-10 DAV: 2 -0.242882800047E+04 -0.17462E-09 0.17152E-11 852 0.183E-09 603 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.00000E+00 -0.53126E-12 852 0.177E-09 0.654E-10 DAV: 2 -0.242882800047E+04 -0.20373E-09 0.27407E-11 852 0.202E-09 604 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.58208E-10 0.25472E-11 852 0.195E-09 0.657E-10 DAV: 2 -0.242882800047E+04 0.58208E-10 -0.44711E-11 852 0.209E-09 605 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.00000E+00 0.26070E-11 852 0.208E-09 0.677E-10 DAV: 2 -0.242882800047E+04 0.18917E-09 0.44213E-12 852 0.200E-09 606 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.13097E-09 0.20942E-12 852 0.210E-09 0.663E-10 DAV: 2 -0.242882800047E+04 -0.13097E-09 0.57144E-11 852 0.194E-09 607 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.20373E-09 0.34875E-12 852 0.196E-09 0.718E-10 DAV: 2 -0.242882800047E+04 0.13097E-09 -0.25914E-11 852 0.186E-09 608 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.14552E-10 0.20508E-11 852 0.169E-09 0.698E-10 DAV: 2 -0.242882800047E+04 0.11642E-09 -0.75526E-11 852 0.193E-09 609 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.24738E-09 0.97287E-12 852 0.192E-09 0.681E-10 DAV: 2 -0.242882800047E+04 -0.43656E-10 0.56445E-11 852 0.187E-09 610 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.16007E-09 0.15782E-11 852 0.180E-09 0.591E-10 DAV: 2 -0.242882800047E+04 -0.17462E-09 0.42123E-11 852 0.177E-09 611 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.11642E-09 -0.34718E-12 852 0.216E-09 0.747E-10 DAV: 2 -0.242882800047E+04 -0.18917E-09 0.21380E-11 852 0.213E-09 612 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.23283E-09 0.12245E-11 852 0.235E-09 0.689E-10 DAV: 2 -0.242882800047E+04 0.10186E-09 -0.36562E-11 852 0.200E-09 613 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.29104E-10 0.15865E-12 852 0.189E-09 0.642E-10 DAV: 2 -0.242882800047E+04 0.58208E-10 -0.58255E-11 852 0.169E-09 614 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.29104E-10 0.54966E-12 852 0.184E-09 0.678E-10 DAV: 2 -0.242882800047E+04 -0.14552E-10 -0.49132E-11 852 0.183E-09 615 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.29104E-10 -0.11718E-11 852 0.192E-09 0.744E-10 DAV: 2 -0.242882800047E+04 0.11642E-09 -0.16341E-11 852 0.204E-09 616 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.87311E-10 -0.35509E-12 852 0.170E-09 0.660E-10 DAV: 2 -0.242882800047E+04 0.00000E+00 -0.60699E-11 852 0.187E-09 617 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.11642E-09 0.64011E-12 852 0.216E-09 0.678E-10 DAV: 2 -0.242882800047E+04 0.16007E-09 0.50979E-11 852 0.221E-09 618 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.20373E-09 0.35702E-15 852 0.209E-09 0.681E-10 DAV: 2 -0.242882800047E+04 -0.11642E-09 0.98509E-12 852 0.190E-09 619 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.20373E-09 -0.15318E-11 852 0.205E-09 0.698E-10 DAV: 2 -0.242882800047E+04 -0.29104E-10 0.61770E-13 852 0.203E-09 620 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.14552E-10 0.11241E-11 852 0.194E-09 0.674E-10 DAV: 2 -0.242882800047E+04 -0.43656E-10 -0.26070E-11 852 0.186E-09 621 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.43656E-10 0.17298E-11 852 0.198E-09 0.671E-10 DAV: 2 -0.242882800047E+04 0.14552E-10 -0.38951E-11 852 0.196E-09 622 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.87311E-10 -0.31327E-12 852 0.194E-09 0.660E-10 DAV: 2 -0.242882800047E+04 0.17462E-09 0.94665E-12 852 0.205E-09 623 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.29104E-10 -0.28909E-12 852 0.181E-09 0.637E-10 DAV: 2 -0.242882800047E+04 0.14552E-09 0.42157E-11 852 0.186E-09 624 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.58208E-10 0.10548E-12 852 0.185E-09 0.664E-10 DAV: 2 -0.242882800047E+04 0.87311E-10 0.56946E-11 852 0.203E-09 625 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.14552E-09 -0.20488E-12 852 0.187E-09 0.635E-10 DAV: 2 -0.242882800047E+04 -0.11642E-09 0.60753E-12 852 0.179E-09 626 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.58208E-10 -0.55371E-13 852 0.204E-09 0.655E-10 DAV: 2 -0.242882800047E+04 -0.14552E-10 -0.56863E-11 852 0.200E-09 627 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.58208E-10 0.11752E-11 852 0.198E-09 0.685E-10 DAV: 2 -0.242882800047E+04 0.16007E-09 0.12591E-11 852 0.223E-09 628 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.87311E-10 -0.34785E-12 852 0.192E-09 0.722E-10 DAV: 2 -0.242882800047E+04 -0.87311E-10 -0.11726E-12 852 0.192E-09 629 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.43656E-10 0.18451E-11 852 0.183E-09 0.636E-10 DAV: 2 -0.242882800047E+04 0.11642E-09 0.52200E-13 852 0.189E-09 630 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.11642E-09 0.39478E-12 852 0.184E-09 0.630E-10 DAV: 2 -0.242882800047E+04 0.10186E-09 -0.28385E-11 852 0.186E-09 631 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.13097E-09 0.19793E-11 852 0.205E-09 0.706E-10 DAV: 2 -0.242882800047E+04 -0.21828E-09 -0.36420E-11 852 0.218E-09 632 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.23283E-09 0.52909E-12 852 0.175E-09 0.597E-10 DAV: 2 -0.242882800047E+04 0.87311E-10 -0.59353E-11 852 0.183E-09 633 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.72760E-10 -0.33932E-12 852 0.178E-09 0.614E-10 DAV: 2 -0.242882800047E+04 0.11642E-09 -0.54298E-12 852 0.196E-09 634 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.72760E-10 0.18975E-11 852 0.176E-09 0.596E-10 DAV: 2 -0.242882800047E+04 -0.87311E-10 0.56321E-12 852 0.191E-09 635 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.29104E-10 0.52977E-12 852 0.202E-09 0.726E-10 DAV: 2 -0.242882800047E+04 -0.11642E-09 -0.18011E-11 852 0.192E-09 636 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.58208E-10 -0.97198E-12 852 0.191E-09 0.709E-10 DAV: 2 -0.242882800047E+04 -0.14552E-10 -0.39464E-11 852 0.176E-09 637 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.24738E-09 0.23537E-11 852 0.198E-09 0.714E-10 DAV: 2 -0.242882800047E+04 0.72760E-10 0.50840E-11 852 0.190E-09 638 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.20373E-09 -0.45134E-12 852 0.202E-09 0.702E-10 DAV: 2 -0.242882800047E+04 -0.13097E-09 -0.86505E-12 852 0.203E-09 639 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.72760E-10 0.76903E-12 852 0.199E-09 0.708E-10 DAV: 2 -0.242882800047E+04 -0.29104E-10 0.56911E-11 852 0.172E-09 640 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.14552E-10 0.10124E-12 852 0.188E-09 0.691E-10 DAV: 2 -0.242882800047E+04 -0.11642E-09 0.23167E-11 852 0.195E-09 641 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.87311E-10 0.12539E-11 852 0.196E-09 0.725E-10 DAV: 2 -0.242882800047E+04 0.18917E-09 0.41373E-11 852 0.206E-09 642 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.10186E-09 0.91271E-12 852 0.190E-09 0.698E-10 DAV: 2 -0.242882800047E+04 0.14552E-09 -0.63523E-11 852 0.192E-09 643 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.14552E-10 -0.39306E-12 852 0.177E-09 0.676E-10 DAV: 2 -0.242882800047E+04 0.14552E-09 -0.11711E-11 852 0.204E-09 644 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.14552E-10 0.13066E-11 852 0.215E-09 0.682E-10 DAV: 2 -0.242882800047E+04 0.00000E+00 -0.11792E-12 852 0.214E-09 645 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.11642E-09 -0.72302E-12 852 0.203E-09 0.645E-10 DAV: 2 -0.242882800047E+04 0.17462E-09 -0.62692E-11 852 0.205E-09 646 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.20373E-09 -0.33399E-12 852 0.191E-09 0.595E-10 DAV: 2 -0.242882800047E+04 -0.87311E-10 -0.11986E-11 852 0.179E-09 647 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.87311E-10 0.30081E-11 852 0.189E-09 0.651E-10 DAV: 2 -0.242882800047E+04 0.00000E+00 0.16382E-11 852 0.194E-09 648 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.29104E-10 -0.10004E-11 852 0.195E-09 0.658E-10 DAV: 2 -0.242882800047E+04 0.72760E-10 -0.11506E-12 852 0.211E-09 649 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.29104E-10 0.24874E-11 852 0.214E-09 0.651E-10 DAV: 2 -0.242882800047E+04 -0.11642E-09 0.69286E-13 852 0.196E-09 650 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.14552E-10 -0.16705E-11 852 0.217E-09 0.713E-10 DAV: 2 -0.242882800047E+04 0.00000E+00 0.40684E-11 852 0.200E-09 651 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.87311E-10 0.21437E-11 852 0.228E-09 0.718E-10 DAV: 2 -0.242882800047E+04 0.72760E-10 -0.11791E-11 852 0.211E-09 652 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.13097E-09 -0.12790E-11 852 0.191E-09 0.650E-10 DAV: 2 -0.242882800047E+04 -0.87311E-10 -0.94079E-12 852 0.176E-09 653 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.16007E-09 -0.10125E-11 852 0.209E-09 0.692E-10 DAV: 2 -0.242882800047E+04 -0.58208E-10 0.23687E-12 852 0.204E-09 654 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.18917E-09 -0.52385E-12 852 0.208E-09 0.720E-10 DAV: 2 -0.242882800047E+04 0.00000E+00 -0.25341E-11 852 0.224E-09 655 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.10186E-09 -0.47925E-12 852 0.176E-09 0.662E-10 DAV: 2 -0.242882800047E+04 0.10186E-09 -0.73350E-11 852 0.211E-09 656 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.10186E-09 0.20260E-11 852 0.214E-09 0.726E-10 DAV: 2 -0.242882800047E+04 0.29104E-09 -0.22648E-11 852 0.193E-09 657 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.17462E-09 -0.52255E-13 852 0.188E-09 0.673E-10 DAV: 2 -0.242882800047E+04 0.10186E-09 0.40200E-12 852 0.205E-09 658 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.14552E-10 -0.73166E-13 852 0.195E-09 0.680E-10 DAV: 2 -0.242882800047E+04 0.14552E-10 0.47148E-11 852 0.159E-09 659 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.14552E-10 -0.37425E-13 852 0.170E-09 0.741E-10 DAV: 2 -0.242882800047E+04 0.58208E-10 -0.57385E-11 852 0.198E-09 660 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.10186E-09 0.27576E-11 852 0.223E-09 0.713E-10 DAV: 2 -0.242882800047E+04 0.14552E-10 0.96827E-12 852 0.228E-09 661 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.16007E-09 0.14188E-11 852 0.215E-09 0.708E-10 DAV: 2 -0.242882800047E+04 -0.43656E-10 0.22336E-11 852 0.192E-09 662 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.13097E-09 -0.13814E-11 852 0.213E-09 0.729E-10 DAV: 2 -0.242882800047E+04 0.17462E-09 -0.26122E-11 852 0.230E-09 663 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.18917E-09 0.51978E-12 852 0.192E-09 0.623E-10 DAV: 2 -0.242882800047E+04 -0.14552E-09 -0.57383E-11 852 0.201E-09 664 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.26193E-09 -0.17693E-11 852 0.201E-09 0.659E-10 DAV: 2 -0.242882800047E+04 -0.43656E-10 -0.13564E-11 852 0.202E-09 665 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.72760E-10 0.18706E-11 852 0.175E-09 0.601E-10 DAV: 2 -0.242882800047E+04 0.58208E-10 -0.66164E-11 852 0.182E-09 666 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.14552E-10 -0.52457E-12 852 0.203E-09 0.697E-10 DAV: 2 -0.242882800047E+04 0.58208E-10 0.69807E-11 852 0.193E-09 667 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.87311E-10 0.21934E-12 852 0.207E-09 0.649E-10 DAV: 2 -0.242882800047E+04 0.87311E-10 -0.18053E-11 852 0.184E-09 668 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.58208E-10 -0.25977E-13 852 0.185E-09 0.703E-10 DAV: 2 -0.242882800047E+04 -0.87311E-10 -0.14298E-11 852 0.177E-09 669 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.43656E-10 0.63891E-13 852 0.186E-09 0.742E-10 DAV: 2 -0.242882800047E+04 0.11642E-09 -0.45681E-13 852 0.182E-09 670 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.14552E-10 -0.17576E-13 852 0.176E-09 0.639E-10 DAV: 2 -0.242882800047E+04 0.00000E+00 -0.37524E-12 852 0.192E-09 671 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.29104E-10 0.20341E-12 852 0.172E-09 0.685E-10 DAV: 2 -0.242882800047E+04 -0.72760E-10 -0.84968E-11 852 0.192E-09 672 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.43656E-10 0.14939E-11 852 0.168E-09 0.688E-10 DAV: 2 -0.242882800047E+04 -0.43656E-10 -0.30787E-11 852 0.173E-09 673 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.14552E-10 0.64455E-12 852 0.197E-09 0.609E-10 DAV: 2 -0.242882800047E+04 0.18917E-09 -0.80765E-11 852 0.178E-09 674 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.13097E-09 0.32925E-12 852 0.199E-09 0.765E-10 DAV: 2 -0.242882800047E+04 -0.21828E-09 -0.44492E-11 852 0.204E-09 675 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.17462E-09 0.15807E-11 852 0.200E-09 0.756E-10 DAV: 2 -0.242882800047E+04 0.72760E-10 0.44378E-11 852 0.202E-09 676 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.11642E-09 0.41887E-12 852 0.213E-09 0.725E-10 DAV: 2 -0.242882800047E+04 0.00000E+00 -0.32890E-11 852 0.226E-09 677 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.72760E-10 0.48576E-12 852 0.199E-09 0.678E-10 DAV: 2 -0.242882800047E+04 0.58208E-10 -0.62003E-11 852 0.208E-09 678 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.58208E-10 -0.43308E-12 852 0.196E-09 0.740E-10 DAV: 2 -0.242882800047E+04 0.00000E+00 -0.33900E-11 852 0.227E-09 679 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.14552E-09 -0.16895E-12 852 0.202E-09 0.671E-10 DAV: 2 -0.242882800047E+04 0.72760E-10 -0.13114E-11 852 0.190E-09 680 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.14552E-10 -0.16743E-11 852 0.204E-09 0.682E-10 DAV: 2 -0.242882800047E+04 0.72760E-10 0.29035E-11 852 0.171E-09 681 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.43656E-10 0.59675E-12 852 0.179E-09 0.659E-10 DAV: 2 -0.242882800047E+04 0.87311E-10 0.35649E-11 852 0.179E-09 682 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.11642E-09 0.55324E-12 852 0.187E-09 0.649E-10 DAV: 2 -0.242882800047E+04 0.20373E-09 0.25858E-11 852 0.176E-09 683 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.29104E-10 -0.17596E-11 852 0.188E-09 0.706E-10 DAV: 2 -0.242882800047E+04 0.20373E-09 -0.22076E-11 852 0.212E-09 684 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.23283E-09 0.13750E-11 852 0.203E-09 0.696E-10 DAV: 2 -0.242882800047E+04 0.29104E-10 -0.11070E-11 852 0.216E-09 685 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.11642E-09 -0.66133E-12 852 0.205E-09 0.637E-10 DAV: 2 -0.242882800047E+04 -0.16007E-09 0.27407E-12 852 0.174E-09 686 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.26193E-09 -0.73828E-12 852 0.201E-09 0.701E-10 DAV: 2 -0.242882800047E+04 0.72760E-10 0.78514E-11 852 0.202E-09 687 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.10186E-09 0.47097E-12 852 0.179E-09 0.620E-10 DAV: 2 -0.242882800047E+04 0.29104E-10 -0.36898E-11 852 0.171E-09 688 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.10186E-09 0.23331E-11 852 0.194E-09 0.695E-10 DAV: 2 -0.242882800047E+04 0.11642E-09 -0.81516E-11 852 0.203E-09 689 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.29104E-10 0.36130E-13 852 0.205E-09 0.697E-10 DAV: 2 -0.242882800047E+04 0.17462E-09 -0.33358E-11 852 0.200E-09 690 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.14552E-09 0.96894E-12 852 0.191E-09 0.621E-10 DAV: 2 -0.242882800047E+04 -0.11642E-09 0.51375E-12 852 0.196E-09 691 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.43656E-10 -0.15482E-12 852 0.194E-09 0.696E-10 DAV: 2 -0.242882800047E+04 -0.10186E-09 -0.60442E-11 852 0.204E-09 692 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.00000E+00 0.12342E-11 852 0.180E-09 0.638E-10 DAV: 2 -0.242882800047E+04 0.58208E-10 0.19111E-11 852 0.211E-09 693 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.14552E-10 -0.69875E-12 852 0.218E-09 0.632E-10 DAV: 2 -0.242882800047E+04 -0.43656E-10 -0.32648E-11 852 0.186E-09 694 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.58208E-10 0.12844E-11 852 0.190E-09 0.699E-10 DAV: 2 -0.242882800047E+04 -0.17462E-09 -0.70408E-12 852 0.208E-09 695 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.11642E-09 0.25147E-11 852 0.177E-09 0.635E-10 DAV: 2 -0.242882800047E+04 0.29104E-10 0.85479E-12 852 0.179E-09 696 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.14552E-09 -0.12789E-13 852 0.193E-09 0.697E-10 DAV: 2 -0.242882800047E+04 -0.17462E-09 0.95668E-11 852 0.197E-09 697 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.87311E-10 0.11611E-11 852 0.193E-09 0.691E-10 DAV: 2 -0.242882800047E+04 -0.72760E-10 0.71576E-12 852 0.162E-09 698 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.29104E-10 0.12344E-11 852 0.181E-09 0.716E-10 DAV: 2 -0.242882800047E+04 0.11642E-09 0.39769E-11 852 0.210E-09 699 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.87311E-10 0.23035E-12 852 0.246E-09 0.820E-10 DAV: 2 -0.242882800047E+04 -0.87311E-10 -0.14123E-11 852 0.212E-09 700 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.14552E-10 0.65400E-13 852 0.197E-09 0.700E-10 DAV: 2 -0.242882800047E+04 -0.87311E-10 -0.26901E-11 852 0.214E-09 701 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.16007E-09 -0.81762E-12 852 0.191E-09 0.644E-10 DAV: 2 -0.242882800047E+04 0.26193E-09 -0.11359E-11 852 0.195E-09 702 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.29104E-10 -0.92259E-12 852 0.182E-09 0.630E-10 DAV: 2 -0.242882800047E+04 0.17462E-09 0.21145E-11 852 0.178E-09 703 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.72760E-10 0.16440E-11 852 0.172E-09 0.605E-10 DAV: 2 -0.242882800047E+04 0.43656E-10 0.33960E-11 852 0.181E-09 704 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.43656E-10 -0.10065E-11 852 0.209E-09 0.726E-10 DAV: 2 -0.242882800047E+04 0.58208E-10 0.20135E-11 852 0.250E-09 705 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.29104E-10 0.32106E-11 852 0.201E-09 0.621E-10 DAV: 2 -0.242882800047E+04 -0.29104E-10 -0.64202E-11 852 0.202E-09 706 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.29104E-10 -0.21966E-12 852 0.194E-09 0.700E-10 DAV: 2 -0.242882800047E+04 0.14552E-09 -0.29587E-11 852 0.204E-09 707 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.43656E-10 -0.67732E-12 852 0.186E-09 0.661E-10 DAV: 2 -0.242882800047E+04 0.72760E-10 -0.59767E-11 852 0.191E-09 708 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.43656E-10 0.43653E-12 852 0.161E-09 0.702E-10 DAV: 2 -0.242882800047E+04 0.58208E-10 -0.17622E-11 852 0.176E-09 709 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.17462E-09 -0.19254E-11 852 0.207E-09 0.696E-10 DAV: 2 -0.242882800047E+04 -0.58208E-10 -0.12981E-10 852 0.195E-09 710 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.17462E-09 -0.21759E-13 852 0.193E-09 0.646E-10 DAV: 2 -0.242882800047E+04 0.87311E-10 -0.67899E-11 852 0.174E-09 711 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.43656E-10 0.54109E-12 852 0.186E-09 0.641E-10 DAV: 2 -0.242882800047E+04 0.29104E-10 -0.13892E-11 852 0.209E-09 712 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.43656E-10 -0.93267E-12 852 0.168E-09 0.627E-10 DAV: 2 -0.242882800047E+04 -0.11642E-09 0.27247E-11 852 0.189E-09 713 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.14552E-09 0.13867E-11 852 0.191E-09 0.652E-10 DAV: 2 -0.242882800047E+04 0.11642E-09 0.37219E-11 852 0.175E-09 714 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.23283E-09 0.29471E-12 852 0.179E-09 0.651E-10 DAV: 2 -0.242882800047E+04 -0.58208E-10 0.32223E-11 852 0.176E-09 715 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.00000E+00 -0.20584E-11 852 0.204E-09 0.680E-10 DAV: 2 -0.242882800047E+04 -0.13097E-09 0.22683E-11 852 0.209E-09 716 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.13097E-09 -0.86650E-12 852 0.218E-09 0.622E-10 DAV: 2 -0.242882800047E+04 0.87311E-10 0.41449E-11 852 0.200E-09 717 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.10186E-09 -0.47378E-13 852 0.190E-09 0.633E-10 DAV: 2 -0.242882800047E+04 0.00000E+00 -0.54031E-11 852 0.212E-09 718 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.11642E-09 0.64755E-12 852 0.195E-09 0.651E-10 DAV: 2 -0.242882800047E+04 0.43656E-10 -0.21257E-11 852 0.164E-09 719 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.00000E+00 0.24839E-11 852 0.206E-09 0.702E-10 DAV: 2 -0.242882800047E+04 0.14552E-10 -0.29877E-11 852 0.200E-09 720 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.43656E-10 0.58162E-12 852 0.211E-09 0.770E-10 DAV: 2 -0.242882800047E+04 0.13097E-09 0.66513E-11 852 0.210E-09 721 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.14552E-10 0.62593E-12 852 0.223E-09 0.678E-10 DAV: 2 -0.242882800047E+04 0.11642E-09 -0.15968E-11 852 0.164E-09 722 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.43656E-10 0.12946E-12 852 0.173E-09 0.686E-10 DAV: 2 -0.242882800047E+04 -0.29104E-10 0.19322E-11 852 0.197E-09 723 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.10186E-09 0.35391E-12 852 0.182E-09 0.623E-10 DAV: 2 -0.242882800047E+04 -0.29104E-10 0.47535E-11 852 0.165E-09 724 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.43656E-10 0.28072E-11 852 0.184E-09 0.652E-10 DAV: 2 -0.242882800047E+04 0.00000E+00 0.21049E-11 852 0.180E-09 725 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.16007E-09 -0.14603E-11 852 0.177E-09 0.655E-10 DAV: 2 -0.242882800047E+04 0.87311E-10 0.54289E-12 852 0.187E-09 726 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.14552E-10 -0.12236E-12 852 0.204E-09 0.719E-10 DAV: 2 -0.242882800047E+04 0.13097E-09 0.21638E-11 852 0.177E-09 727 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.43656E-10 -0.11869E-11 852 0.186E-09 0.738E-10 DAV: 2 -0.242882800047E+04 0.72760E-10 0.59587E-11 852 0.190E-09 728 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.14552E-09 -0.17312E-11 852 0.183E-09 0.669E-10 DAV: 2 -0.242882800047E+04 -0.11642E-09 0.45245E-14 852 0.171E-09 729 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.72760E-10 0.13621E-11 852 0.178E-09 0.672E-10 DAV: 2 -0.242882800047E+04 0.14552E-10 0.21421E-11 852 0.173E-09 730 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.14552E-10 0.85987E-12 852 0.170E-09 0.615E-10 DAV: 2 -0.242882800047E+04 -0.14552E-10 0.13850E-11 852 0.201E-09 731 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.11642E-09 0.48790E-12 852 0.210E-09 0.678E-10 DAV: 2 -0.242882800047E+04 0.29104E-10 -0.29385E-11 852 0.173E-09 732 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.14552E-10 -0.10798E-11 852 0.175E-09 0.659E-10 DAV: 2 -0.242882800047E+04 -0.29104E-10 -0.31739E-11 852 0.176E-09 733 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.43656E-10 0.35840E-12 852 0.208E-09 0.706E-10 DAV: 2 -0.242882800047E+04 -0.58208E-10 -0.14282E-11 852 0.206E-09 734 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.29104E-10 -0.10815E-11 852 0.188E-09 0.639E-10 DAV: 2 -0.242882800047E+04 -0.14552E-10 -0.22056E-11 852 0.189E-09 735 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.16007E-09 0.24560E-11 852 0.181E-09 0.704E-10 DAV: 2 -0.242882800047E+04 0.16007E-09 0.53424E-11 852 0.191E-09 736 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.13097E-09 -0.85702E-12 852 0.179E-09 0.687E-10 DAV: 2 -0.242882800047E+04 0.26193E-09 0.47339E-11 852 0.183E-09 737 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.26193E-09 -0.99226E-12 852 0.190E-09 0.699E-10 DAV: 2 -0.242882800047E+04 0.00000E+00 0.11542E-12 852 0.172E-09 738 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.43656E-10 0.96791E-12 852 0.219E-09 0.761E-10 DAV: 2 -0.242882800047E+04 -0.14552E-10 -0.75706E-12 852 0.213E-09 739 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.10186E-09 0.32990E-11 852 0.209E-09 0.720E-10 DAV: 2 -0.242882800047E+04 0.29104E-10 0.42004E-11 852 0.245E-09 740 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.29104E-10 -0.12429E-12 852 0.194E-09 0.677E-10 DAV: 2 -0.242882800047E+04 0.58208E-10 0.38330E-11 852 0.206E-09 741 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.11642E-09 0.15000E-12 852 0.185E-09 0.672E-10 DAV: 2 -0.242882800047E+04 -0.11642E-09 -0.11617E-11 852 0.180E-09 742 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.14552E-09 -0.73315E-12 852 0.176E-09 0.706E-10 DAV: 2 -0.242882800047E+04 0.00000E+00 -0.64586E-11 852 0.201E-09 743 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.72760E-10 -0.29058E-11 852 0.199E-09 0.665E-10 DAV: 2 -0.242882800047E+04 0.13097E-09 0.35968E-11 852 0.208E-09 744 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.87311E-10 0.52463E-12 852 0.192E-09 0.692E-10 DAV: 2 -0.242882800047E+04 0.14552E-10 0.14037E-11 852 0.209E-09 745 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.14552E-10 -0.39518E-12 852 0.185E-09 0.649E-10 DAV: 2 -0.242882800047E+04 0.87311E-10 -0.34299E-11 852 0.182E-09 746 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.58208E-10 0.12677E-12 852 0.177E-09 0.600E-10 DAV: 2 -0.242882800047E+04 0.11642E-09 -0.49133E-11 852 0.205E-09 747 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.11642E-09 -0.10079E-11 852 0.201E-09 0.695E-10 DAV: 2 -0.242882800047E+04 0.58208E-10 0.16346E-11 852 0.206E-09 748 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.87311E-10 0.57607E-12 852 0.160E-09 0.631E-10 DAV: 2 -0.242882800047E+04 -0.87311E-10 0.11934E-11 852 0.203E-09 749 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.58208E-10 -0.11480E-11 852 0.197E-09 0.735E-10 DAV: 2 -0.242882800047E+04 0.87311E-10 0.13487E-11 852 0.197E-09 750 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.87311E-10 -0.18242E-11 852 0.173E-09 0.646E-10 DAV: 2 -0.242882800047E+04 0.43656E-10 0.17086E-11 852 0.196E-09 751 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.29104E-10 0.22410E-11 852 0.203E-09 0.705E-10 DAV: 2 -0.242882800047E+04 -0.11642E-09 -0.20336E-11 852 0.185E-09 752 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.11642E-09 0.30793E-11 852 0.176E-09 0.673E-10 DAV: 2 -0.242882800047E+04 0.10186E-09 0.91601E-12 852 0.192E-09 753 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.20373E-09 -0.76918E-12 852 0.200E-09 0.704E-10 DAV: 2 -0.242882800047E+04 -0.43656E-10 -0.29591E-11 852 0.184E-09 754 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.43656E-10 0.24737E-11 852 0.216E-09 0.724E-10 DAV: 2 -0.242882800047E+04 -0.16007E-09 0.10870E-11 852 0.210E-09 755 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.72760E-10 -0.10542E-11 852 0.234E-09 0.705E-10 DAV: 2 -0.242882800047E+04 0.29104E-10 0.24714E-11 852 0.218E-09 756 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.87311E-10 -0.13350E-11 852 0.202E-09 0.689E-10 DAV: 2 -0.242882800047E+04 -0.87311E-10 0.15433E-11 852 0.186E-09 757 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.72760E-10 0.23687E-11 852 0.200E-09 0.746E-10 DAV: 2 -0.242882800047E+04 0.14552E-10 -0.34798E-11 852 0.197E-09 758 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.72760E-10 0.64951E-12 852 0.192E-09 0.628E-10 DAV: 2 -0.242882800047E+04 0.27649E-09 0.52565E-11 852 0.198E-09 759 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.14552E-10 0.80876E-12 852 0.181E-09 0.694E-10 DAV: 2 -0.242882800047E+04 0.72760E-10 0.26131E-11 852 0.175E-09 760 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.43656E-10 0.13514E-11 852 0.200E-09 0.716E-10 DAV: 2 -0.242882800047E+04 0.11642E-09 0.22034E-11 852 0.187E-09 761 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.87311E-10 0.19569E-11 852 0.169E-09 0.616E-10 DAV: 2 -0.242882800047E+04 0.11642E-09 -0.14171E-11 852 0.201E-09 762 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.20373E-09 -0.29375E-12 852 0.188E-09 0.656E-10 DAV: 2 -0.242882800047E+04 -0.43656E-10 -0.19911E-11 852 0.190E-09 763 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.11642E-09 0.28380E-11 852 0.201E-09 0.646E-10 DAV: 2 -0.242882800047E+04 0.58208E-10 -0.41891E-11 852 0.191E-09 764 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.58208E-10 0.13809E-11 852 0.188E-09 0.625E-10 DAV: 2 -0.242882800047E+04 0.14552E-10 0.20751E-11 852 0.184E-09 765 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.58208E-10 0.79559E-12 852 0.192E-09 0.676E-10 DAV: 2 -0.242882800047E+04 0.14552E-10 -0.13177E-11 852 0.198E-09 766 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.00000E+00 -0.17946E-12 852 0.181E-09 0.613E-10 DAV: 2 -0.242882800047E+04 0.58208E-10 -0.10523E-11 852 0.183E-09 767 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.00000E+00 0.90640E-12 852 0.205E-09 0.687E-10 DAV: 2 -0.242882800047E+04 0.29104E-10 -0.16424E-11 852 0.203E-09 768 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.29104E-10 0.34994E-12 852 0.185E-09 0.676E-10 DAV: 2 -0.242882800047E+04 0.00000E+00 0.27215E-11 852 0.220E-09 769 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.87311E-10 0.38213E-13 852 0.192E-09 0.619E-10 DAV: 2 -0.242882800047E+04 0.11642E-09 -0.75054E-11 852 0.182E-09 770 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.29104E-10 0.17883E-12 852 0.218E-09 0.778E-10 DAV: 2 -0.242882800047E+04 0.43656E-10 -0.24614E-11 852 0.169E-09 771 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.00000E+00 -0.21893E-11 852 0.200E-09 0.747E-10 DAV: 2 -0.242882800047E+04 0.14552E-10 -0.27816E-12 852 0.187E-09 772 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.00000E+00 0.77338E-12 852 0.181E-09 0.665E-10 DAV: 2 -0.242882800047E+04 0.14552E-09 0.43632E-11 852 0.198E-09 773 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.29104E-10 -0.15263E-11 852 0.202E-09 0.698E-10 DAV: 2 -0.242882800047E+04 0.11642E-09 -0.43103E-12 852 0.203E-09 774 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.11642E-09 -0.11028E-11 852 0.173E-09 0.613E-10 DAV: 2 -0.242882800047E+04 0.43656E-10 -0.53505E-11 852 0.170E-09 775 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.29104E-10 -0.29121E-11 852 0.177E-09 0.662E-10 DAV: 2 -0.242882800047E+04 0.29104E-10 0.45707E-11 852 0.194E-09 776 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.29104E-10 0.12828E-11 852 0.196E-09 0.678E-10 DAV: 2 -0.242882800047E+04 -0.29104E-10 -0.57726E-11 852 0.187E-09 777 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.11642E-09 0.26639E-11 852 0.221E-09 0.700E-10 DAV: 2 -0.242882800047E+04 0.20373E-09 -0.10627E-11 852 0.204E-09 778 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.11642E-09 -0.19710E-11 852 0.199E-09 0.747E-10 DAV: 2 -0.242882800047E+04 0.11642E-09 -0.64953E-11 852 0.185E-09 779 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.58208E-10 0.65517E-12 852 0.172E-09 0.716E-10 DAV: 2 -0.242882800047E+04 0.29104E-10 0.61041E-11 852 0.200E-09 780 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.58208E-10 -0.60986E-12 852 0.183E-09 0.630E-10 DAV: 2 -0.242882800047E+04 0.11642E-09 -0.21395E-11 852 0.220E-09 781 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.14552E-10 -0.19950E-11 852 0.205E-09 0.646E-10 DAV: 2 -0.242882800047E+04 0.10186E-09 -0.35030E-11 852 0.193E-09 782 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.43656E-10 -0.13423E-11 852 0.221E-09 0.796E-10 DAV: 2 -0.242882800047E+04 0.87311E-10 0.51605E-11 852 0.224E-09 783 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.13097E-09 0.60788E-12 852 0.203E-09 0.700E-10 DAV: 2 -0.242882800047E+04 -0.29104E-10 0.42420E-11 852 0.207E-09 784 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.13097E-09 0.78286E-12 852 0.185E-09 0.697E-10 DAV: 2 -0.242882800047E+04 -0.58208E-10 -0.73611E-12 852 0.182E-09 785 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.43656E-10 0.48524E-12 852 0.192E-09 0.702E-10 DAV: 2 -0.242882800047E+04 0.72760E-10 -0.47939E-11 852 0.206E-09 786 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.10186E-09 0.38812E-12 852 0.200E-09 0.698E-10 DAV: 2 -0.242882800047E+04 -0.29104E-10 -0.32566E-11 852 0.196E-09 787 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.14552E-10 -0.17180E-11 852 0.197E-09 0.656E-10 DAV: 2 -0.242882800047E+04 0.10186E-09 -0.35347E-11 852 0.208E-09 788 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.43656E-10 -0.40939E-12 852 0.191E-09 0.597E-10 DAV: 2 -0.242882800047E+04 0.29104E-10 -0.34500E-11 852 0.183E-09 789 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.20373E-09 0.61446E-12 852 0.193E-09 0.625E-10 DAV: 2 -0.242882800047E+04 -0.24738E-09 -0.15603E-11 852 0.212E-09 790 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.24738E-09 0.10302E-11 852 0.231E-09 0.682E-10 DAV: 2 -0.242882800047E+04 -0.72760E-10 0.29579E-11 852 0.222E-09 791 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.13097E-09 -0.12123E-12 852 0.205E-09 0.640E-10 DAV: 2 -0.242882800047E+04 0.29104E-10 -0.43849E-14 852 0.180E-09 792 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.58208E-10 -0.52112E-12 852 0.199E-09 0.707E-10 DAV: 2 -0.242882800047E+04 0.29104E-10 -0.11393E-13 852 0.221E-09 793 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.29104E-10 0.28811E-11 852 0.170E-09 0.636E-10 DAV: 2 -0.242882800047E+04 0.72760E-10 0.67632E-11 852 0.187E-09 794 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.11642E-09 -0.55403E-12 852 0.213E-09 0.677E-10 DAV: 2 -0.242882800047E+04 0.58208E-10 -0.48201E-11 852 0.194E-09 795 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.29104E-10 -0.84477E-12 852 0.192E-09 0.581E-10 DAV: 2 -0.242882800047E+04 0.29104E-10 0.27953E-11 852 0.173E-09 796 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.11642E-09 0.13111E-11 852 0.199E-09 0.632E-10 DAV: 2 -0.242882800047E+04 -0.11642E-09 0.19296E-11 852 0.195E-09 797 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 -0.87311E-10 0.14319E-11 852 0.172E-09 0.676E-10 DAV: 2 -0.242882800047E+04 0.29104E-10 -0.72099E-12 852 0.198E-09 798 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.29104E-10 0.15472E-11 852 0.185E-09 0.679E-10 DAV: 2 -0.242882800047E+04 0.16007E-09 0.12258E-11 852 0.174E-09 799 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.242882800047E+04 0.13097E-09 0.40996E-12 852 0.193E-09 0.706E-10 DAV: 2 -0.242882800047E+04 -0.87311E-10 -0.20946E-11 852 0.179E-09 800 F= -.24288280E+04 E0= -.24289179E+04 d E =0.887907E-01