Stage_1/0.005_-e2 OSZICAR.out output for 744: XXX MT amorphous(poly(oxydiphenylene_pyromellitide)) from job 738 (test-3)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.395465176088E+04 0.39547E+04 -0.29052E+05 890 0.112E+03
DAV: 2 -0.105804245033E+04 -0.50127E+04 -0.48382E+04 1156 0.299E+02
DAV: 3 -0.152774009861E+04 -0.46970E+03 -0.46490E+03 1020 0.975E+01
DAV: 4 -0.153964092848E+04 -0.11901E+02 -0.11851E+02 1076 0.167E+01
DAV: 5 -0.154002919983E+04 -0.38827E+00 -0.38769E+00 1092 0.282E+00 0.630E+01
DAV: 6 -0.144842147329E+04 0.91608E+02 -0.17510E+02 996 0.198E+01 0.343E+01
DAV: 7 -0.143018669200E+04 0.18235E+02 -0.49465E+01 1052 0.115E+01 0.160E+01
DAV: 8 -0.142842755113E+04 0.17591E+01 -0.10552E+01 1036 0.500E+00 0.584E+00
DAV: 9 -0.142837386797E+04 0.53683E-01 -0.13002E+00 1052 0.239E+00 0.197E+00
DAV: 10 -0.142837148377E+04 0.23842E-02 -0.34884E-01 980 0.115E+00 0.695E-01
DAV: 11 -0.142837803935E+04 -0.65556E-02 -0.78583E-02 1020 0.495E-01 0.399E-01
DAV: 12 -0.142837896120E+04 -0.92184E-03 -0.11094E-02 988 0.241E-01 0.231E-01
DAV: 13 -0.142837801356E+04 0.94764E-03 -0.60724E-03 956 0.212E-01 0.111E-01
DAV: 14 -0.142837634991E+04 0.16636E-02 -0.32903E-03 1068 0.155E-01 0.684E-02
DAV: 15 -0.142837582578E+04 0.52414E-03 -0.14631E-03 1028 0.880E-02 0.417E-02
DAV: 16 -0.142837565538E+04 0.17040E-03 -0.22862E-04 1068 0.382E-02 0.248E-02
DAV: 17 -0.142837558612E+04 0.69261E-04 -0.42347E-05 1004 0.258E-02 0.123E-02
DAV: 18 -0.142837555852E+04 0.27601E-04 -0.20838E-05 876 0.221E-02 0.680E-03
DAV: 19 -0.142837555031E+04 0.82064E-05 -0.34119E-05 988 0.169E-02
1 F= -.14283756E+04 E0= -.14283925E+04 d E =-.142838E+04
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142815164892E+04 0.22391E+00 -0.25414E+01 900 0.832E+00 0.149E+00
DAV: 2 -0.142822388468E+04 -0.72236E-01 -0.10073E+00 1060 0.140E+00 0.890E-01
DAV: 3 -0.142821225902E+04 0.11626E-01 -0.26978E-02 1028 0.320E-01 0.559E-01
DAV: 4 -0.142820872914E+04 0.35299E-02 -0.18156E-02 1020 0.259E-01 0.190E-01
DAV: 5 -0.142820880150E+04 -0.72366E-04 -0.43575E-03 1036 0.127E-01 0.822E-02
DAV: 6 -0.142820871501E+04 0.86494E-04 -0.46477E-04 1004 0.450E-02 0.437E-02
DAV: 7 -0.142820865027E+04 0.64736E-04 -0.11404E-04 1044 0.267E-02 0.250E-02
DAV: 8 -0.142820860009E+04 0.50180E-04 -0.21892E-05 836 0.227E-02 0.113E-02
DAV: 9 -0.142820856239E+04 0.37704E-04 -0.32600E-05 884 0.253E-02 0.713E-03
DAV: 10 -0.142820854236E+04 0.20030E-04 -0.39297E-05 932 0.256E-02 0.564E-03
DAV: 11 -0.142820853574E+04 0.66167E-05 -0.30956E-05 868 0.213E-02
2 F= -.14282085E+04 E0= -.14282228E+04 d E =0.167015E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142835377977E+04 -0.14524E+00 -0.16087E+01 900 0.662E+00 0.118E+00
DAV: 2 -0.142839700792E+04 -0.43228E-01 -0.59959E-01 1060 0.110E+00 0.690E-01
DAV: 3 -0.142838987231E+04 0.71356E-02 -0.17313E-02 1028 0.255E-01 0.413E-01
DAV: 4 -0.142838800912E+04 0.18632E-02 -0.10208E-02 1020 0.193E-01 0.138E-01
DAV: 5 -0.142838807697E+04 -0.67843E-04 -0.22226E-03 1036 0.859E-02 0.615E-02
DAV: 6 -0.142838804129E+04 0.35678E-04 -0.21294E-04 1020 0.295E-02 0.310E-02
DAV: 7 -0.142838801598E+04 0.25307E-04 -0.52079E-05 1052 0.174E-02 0.172E-02
DAV: 8 -0.142838799917E+04 0.16812E-04 -0.10212E-05 692 0.131E-02 0.768E-03
DAV: 9 -0.142838798547E+04 0.13703E-04 -0.11899E-05 716 0.150E-02 0.484E-03
DAV: 10 -0.142838797665E+04 0.88116E-05 -0.18704E-05 764 0.158E-02
3 F= -.14283880E+04 E0= -.14284037E+04 d E =-.124263E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142839343603E+04 -0.54506E-02 -0.47110E+00 890 0.376E+00 0.616E-01
DAV: 2 -0.142840348341E+04 -0.10047E-01 -0.14000E-01 1012 0.577E-01 0.408E-01
DAV: 3 -0.142840174379E+04 0.17396E-02 -0.48372E-03 1012 0.155E-01 0.252E-01
DAV: 4 -0.142840157951E+04 0.16428E-03 -0.44186E-03 988 0.118E-01 0.951E-02
DAV: 5 -0.142840155898E+04 0.20536E-04 -0.52638E-04 1084 0.510E-02 0.474E-02
DAV: 6 -0.142840155014E+04 0.88353E-05 -0.14830E-04 1052 0.238E-02 0.246E-02
DAV: 7 -0.142840154149E+04 0.86464E-05 -0.21255E-05 756 0.118E-02
4 F= -.14284015E+04 E0= -.14284179E+04 d E =-.135648E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142840228382E+04 -0.73368E-03 -0.22661E-01 900 0.824E-01 0.134E-01
DAV: 2 -0.142840276045E+04 -0.47663E-03 -0.64924E-03 1020 0.124E-01 0.884E-02
DAV: 3 -0.142840268179E+04 0.78665E-04 -0.22217E-04 1012 0.333E-02 0.546E-02
DAV: 4 -0.142840267711E+04 0.46766E-05 -0.20348E-04 1004 0.256E-02 0.203E-02
DAV: 5 -0.142840267660E+04 0.51713E-06 -0.24721E-05 692 0.114E-02
5 F= -.14284027E+04 E0= -.14284191E+04 d E =-.146999E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142838515931E+04 0.17518E-01 -0.45642E+00 900 0.366E+00 0.564E-01
DAV: 2 -0.142839411874E+04 -0.89594E-02 -0.13181E-01 1060 0.542E-01 0.336E-01
DAV: 3 -0.142839275166E+04 0.13671E-02 -0.38678E-03 1036 0.130E-01 0.207E-01
DAV: 4 -0.142839257078E+04 0.18088E-03 -0.30081E-03 1020 0.101E-01 0.771E-02
DAV: 5 -0.142839257657E+04 -0.57945E-05 -0.49448E-04 1028 0.452E-02 0.337E-02
DAV: 6 -0.142839257503E+04 0.15398E-05 -0.81685E-05 980 0.160E-02
6 F= -.14283926E+04 E0= -.14284088E+04 d E =0.101016E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142840400243E+04 -0.11426E-01 -0.18979E+00 900 0.236E+00 0.360E-01
DAV: 2 -0.142840768159E+04 -0.36792E-02 -0.53601E-02 1060 0.347E-01 0.214E-01
DAV: 3 -0.142840713767E+04 0.54392E-03 -0.15815E-03 1036 0.823E-02 0.132E-01
DAV: 4 -0.142840708004E+04 0.57628E-04 -0.12333E-03 1020 0.638E-02 0.485E-02
DAV: 5 -0.142840708142E+04 -0.13768E-05 -0.19236E-04 1004 0.280E-02 0.213E-02
DAV: 6 -0.142840708280E+04 -0.13838E-05 -0.31219E-05 764 0.987E-03
7 F= -.14284071E+04 E0= -.14284234E+04 d E =-.440620E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142840824547E+04 -0.11641E-02 -0.48661E-01 900 0.121E+00 0.165E-01
DAV: 2 -0.142840922223E+04 -0.97676E-03 -0.12722E-02 1052 0.175E-01 0.101E-01
DAV: 3 -0.142840913858E+04 0.83654E-04 -0.48339E-04 1060 0.404E-02 0.621E-02
DAV: 4 -0.142840911819E+04 0.20384E-04 -0.16953E-04 1020 0.260E-02 0.234E-02
DAV: 5 -0.142840911623E+04 0.19628E-05 -0.30319E-05 812 0.133E-02
8 F= -.14284091E+04 E0= -.14284255E+04 d E =-.203343E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142840913365E+04 -0.15455E-04 -0.49186E-03 900 0.121E-01 0.161E-02
DAV: 2 -0.142840914165E+04 -0.80044E-05 -0.12422E-04 1036 0.178E-02 0.109E-02
DAV: 3 -0.142840914041E+04 0.12353E-05 -0.56682E-06 524 0.468E-03
9 F= -.14284091E+04 E0= -.14284256E+04 d E =-.205762E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841015087E+04 -0.10092E-02 -0.29261E-01 900 0.924E-01 0.120E-01
DAV: 2 -0.142841074470E+04 -0.59383E-03 -0.73652E-03 1020 0.128E-01 0.790E-02
DAV: 3 -0.142841070145E+04 0.43254E-04 -0.22793E-04 1068 0.295E-02 0.499E-02
DAV: 4 -0.142841068887E+04 0.12579E-04 -0.11110E-04 996 0.205E-02 0.165E-02
DAV: 5 -0.142841068876E+04 0.10834E-06 -0.19061E-05 612 0.984E-03
10 F= -.14284107E+04 E0= -.14284271E+04 d E =-.154834E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841071195E+04 -0.23081E-04 -0.11942E-02 900 0.187E-01 0.256E-02
DAV: 2 -0.142841073721E+04 -0.25263E-04 -0.30483E-04 1028 0.258E-02 0.161E-02
DAV: 3 -0.142841073540E+04 0.18078E-05 -0.70833E-06 508 0.590E-03
11 F= -.14284107E+04 E0= -.14284272E+04 d E =-.159499E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841153120E+04 -0.79399E-03 -0.28076E-01 900 0.902E-01 0.118E-01
DAV: 2 -0.142841209274E+04 -0.56154E-03 -0.68189E-03 1028 0.122E-01 0.692E-02
DAV: 3 -0.142841206677E+04 0.25966E-04 -0.19967E-04 1052 0.262E-02 0.423E-02
DAV: 4 -0.142841206478E+04 0.19885E-05 -0.67475E-05 964 0.167E-02
12 F= -.14284121E+04 E0= -.14284285E+04 d E =-.132938E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841211831E+04 -0.51540E-04 -0.15183E-02 900 0.209E-01 0.307E-02
DAV: 2 -0.142841214803E+04 -0.29719E-04 -0.36786E-04 1028 0.285E-02 0.170E-02
DAV: 3 -0.142841214650E+04 0.15304E-05 -0.93042E-06 556 0.656E-03
13 F= -.14284121E+04 E0= -.14284286E+04 d E =-.141110E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841267715E+04 -0.52912E-03 -0.95551E-02 900 0.526E-01 0.706E-02
DAV: 2 -0.142841286423E+04 -0.18708E-03 -0.23922E-03 1044 0.743E-02 0.425E-02
DAV: 3 -0.142841285101E+04 0.13218E-04 -0.76414E-05 1036 0.169E-02 0.255E-02
DAV: 4 -0.142841284883E+04 0.21856E-05 -0.31813E-05 820 0.118E-02
14 F= -.14284128E+04 E0= -.14284292E+04 d E =-.702325E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841290080E+04 -0.49792E-04 -0.19057E-02 900 0.235E-01 0.333E-02
DAV: 2 -0.142841293865E+04 -0.37842E-04 -0.48165E-04 1052 0.335E-02 0.196E-02
DAV: 3 -0.142841293573E+04 0.29113E-05 -0.13386E-05 556 0.800E-03
15 F= -.14284129E+04 E0= -.14284292E+04 d E =-.789233E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841332312E+04 -0.38447E-03 -0.93045E-02 900 0.517E-01 0.666E-02
DAV: 2 -0.142841349770E+04 -0.17458E-03 -0.21525E-03 1020 0.688E-02 0.418E-02
DAV: 3 -0.142841348815E+04 0.95513E-05 -0.60923E-05 1020 0.148E-02
16 F= -.14284135E+04 E0= -.14284297E+04 d E =-.552415E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841353120E+04 -0.33503E-04 -0.38676E-02 900 0.333E-01 0.467E-02
DAV: 2 -0.142841359551E+04 -0.64304E-04 -0.84180E-04 1020 0.434E-02 0.292E-02
DAV: 3 -0.142841359188E+04 0.36300E-05 -0.26944E-05 732 0.101E-02
17 F= -.14284136E+04 E0= -.14284298E+04 d E =-.656144E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841395271E+04 -0.35720E-03 -0.67007E-02 900 0.439E-01 0.565E-02
DAV: 2 -0.142841407498E+04 -0.12227E-03 -0.14988E-03 1012 0.578E-02 0.347E-02
DAV: 3 -0.142841407035E+04 0.46296E-05 -0.38971E-05 900 0.118E-02
18 F= -.14284141E+04 E0= -.14284303E+04 d E =-.478470E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841403553E+04 0.39450E-04 -0.20251E-01 900 0.762E-01 0.976E-02
DAV: 2 -0.142841440223E+04 -0.36670E-03 -0.45220E-03 1020 0.100E-01 0.601E-02
DAV: 3 -0.142841438734E+04 0.14886E-04 -0.12259E-04 1068 0.207E-02 0.361E-02
DAV: 4 -0.142841438760E+04 -0.25667E-06 -0.55280E-05 932 0.161E-02
19 F= -.14284144E+04 E0= -.14284307E+04 d E =-.795722E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841472748E+04 -0.34014E-03 -0.81936E-02 900 0.483E-01 0.612E-02
DAV: 2 -0.142841487175E+04 -0.14427E-03 -0.17842E-03 1012 0.631E-02 0.378E-02
DAV: 3 -0.142841486530E+04 0.64493E-05 -0.45021E-05 932 0.133E-02
20 F= -.14284149E+04 E0= -.14284311E+04 d E =-.477703E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841460285E+04 0.26891E-03 -0.35333E-01 900 0.100E+00 0.127E-01
DAV: 2 -0.142841520053E+04 -0.59768E-03 -0.74705E-03 1012 0.129E-01 0.792E-02
DAV: 3 -0.142841517288E+04 0.27652E-04 -0.20159E-04 1060 0.270E-02 0.470E-02
DAV: 4 -0.142841517516E+04 -0.22837E-05 -0.87940E-05 1020 0.200E-02
21 F= -.14284152E+04 E0= -.14284313E+04 d E =-.787559E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841513847E+04 0.34409E-04 -0.27725E-02 900 0.282E-01 0.322E-02
DAV: 2 -0.142841518654E+04 -0.48076E-04 -0.59713E-04 1012 0.364E-02 0.215E-02
DAV: 3 -0.142841518311E+04 0.34317E-05 -0.13647E-05 596 0.721E-03
22 F= -.14284152E+04 E0= -.14284314E+04 d E =-.795511E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841558052E+04 -0.39397E-03 -0.90417E-02 900 0.510E-01 0.629E-02
DAV: 2 -0.142841574125E+04 -0.16073E-03 -0.20417E-03 1020 0.683E-02 0.404E-02
DAV: 3 -0.142841573042E+04 0.10826E-04 -0.57607E-05 1012 0.148E-02 0.243E-02
DAV: 4 -0.142841572941E+04 0.10123E-05 -0.21865E-05 612 0.996E-03
23 F= -.14284157E+04 E0= -.14284319E+04 d E =-.546296E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841578748E+04 -0.57065E-04 -0.12468E-01 890 0.598E-01 0.768E-02
DAV: 2 -0.142841600200E+04 -0.21452E-03 -0.27497E-03 1020 0.793E-02 0.484E-02
DAV: 3 -0.142841598845E+04 0.13550E-04 -0.79562E-05 1055 0.176E-02 0.288E-02
DAV: 4 -0.142841598851E+04 -0.57422E-07 -0.32392E-05 812 0.117E-02
24 F= -.14284160E+04 E0= -.14284321E+04 d E =-.805398E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841630971E+04 -0.32126E-03 -0.12281E-01 895 0.595E-01 0.757E-02
DAV: 2 -0.142841652646E+04 -0.21674E-03 -0.27305E-03 1020 0.786E-02 0.496E-02
DAV: 3 -0.142841651185E+04 0.14609E-04 -0.72185E-05 1052 0.174E-02 0.301E-02
DAV: 4 -0.142841651165E+04 0.20135E-06 -0.38457E-05 852 0.129E-02
25 F= -.14284165E+04 E0= -.14284326E+04 d E =-.523137E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841653548E+04 -0.23628E-04 -0.95101E-02 900 0.524E-01 0.668E-02
DAV: 2 -0.142841670442E+04 -0.16895E-03 -0.21202E-03 1020 0.693E-02 0.436E-02
DAV: 3 -0.142841669312E+04 0.11305E-04 -0.54493E-05 1012 0.153E-02 0.266E-02
DAV: 4 -0.142841669302E+04 0.93933E-07 -0.30301E-05 772 0.115E-02
26 F= -.14284167E+04 E0= -.14284328E+04 d E =-.704516E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841699778E+04 -0.30466E-03 -0.96018E-02 890 0.525E-01 0.676E-02
DAV: 2 -0.142841716853E+04 -0.17076E-03 -0.21684E-03 1004 0.700E-02 0.434E-02
DAV: 3 -0.142841715691E+04 0.11622E-04 -0.57962E-05 1020 0.153E-02 0.262E-02
DAV: 4 -0.142841715663E+04 0.28400E-06 -0.28506E-05 748 0.114E-02
27 F= -.14284172E+04 E0= -.14284332E+04 d E =-.463604E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841714970E+04 0.72112E-05 -0.14887E-01 890 0.653E-01 0.840E-02
DAV: 2 -0.142841741510E+04 -0.26540E-03 -0.33556E-03 1004 0.870E-02 0.540E-02
DAV: 3 -0.142841739733E+04 0.17769E-04 -0.88644E-05 1060 0.189E-02 0.326E-02
DAV: 4 -0.142841739693E+04 0.40171E-06 -0.45223E-05 908 0.141E-02
28 F= -.14284174E+04 E0= -.14284335E+04 d E =-.703905E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841768480E+04 -0.28747E-03 -0.11785E-01 890 0.580E-01 0.735E-02
DAV: 2 -0.142841788757E+04 -0.20277E-03 -0.25473E-03 1012 0.759E-02 0.484E-02
DAV: 3 -0.142841787390E+04 0.13665E-04 -0.64582E-05 1052 0.164E-02 0.292E-02
DAV: 4 -0.142841787385E+04 0.50801E-07 -0.37176E-05 844 0.123E-02
29 F= -.14284179E+04 E0= -.14284339E+04 d E =-.476922E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841796414E+04 -0.90241E-04 -0.24065E-02 900 0.262E-01 0.340E-02
DAV: 2 -0.142841800605E+04 -0.41912E-04 -0.52778E-04 1012 0.346E-02 0.221E-02
DAV: 3 -0.142841800300E+04 0.30502E-05 -0.11057E-05 588 0.757E-03
30 F= -.14284180E+04 E0= -.14284340E+04 d E =-.606075E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841795662E+04 0.49435E-04 -0.94747E-02 890 0.521E-01 0.662E-02
DAV: 2 -0.142841811207E+04 -0.15545E-03 -0.19915E-03 1012 0.671E-02 0.436E-02
DAV: 3 -0.142841810176E+04 0.10303E-04 -0.52158E-05 988 0.144E-02 0.260E-02
DAV: 4 -0.142841810170E+04 0.60769E-07 -0.29567E-05 796 0.112E-02
31 F= -.14284181E+04 E0= -.14284341E+04 d E =-.704774E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841833079E+04 -0.22902E-03 -0.12232E-01 890 0.589E-01 0.741E-02
DAV: 2 -0.142841853693E+04 -0.20614E-03 -0.25875E-03 1004 0.759E-02 0.483E-02
DAV: 3 -0.142841852353E+04 0.13393E-04 -0.60614E-05 1020 0.159E-02 0.288E-02
DAV: 4 -0.142841852405E+04 -0.52077E-06 -0.36176E-05 836 0.121E-02
32 F= -.14284185E+04 E0= -.14284345E+04 d E =-.422351E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841862092E+04 -0.97390E-04 -0.28607E-02 890 0.285E-01 0.368E-02
DAV: 2 -0.142841866973E+04 -0.48809E-04 -0.61241E-04 1004 0.370E-02 0.236E-02
DAV: 3 -0.142841866642E+04 0.33093E-05 -0.12236E-05 612 0.789E-03
33 F= -.14284187E+04 E0= -.14284346E+04 d E =-.564720E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841866237E+04 0.73618E-05 -0.11258E-01 890 0.565E-01 0.718E-02
DAV: 2 -0.142841884313E+04 -0.18076E-03 -0.23131E-03 1004 0.718E-02 0.467E-02
DAV: 3 -0.142841883170E+04 0.11430E-04 -0.57076E-05 1004 0.150E-02 0.274E-02
DAV: 4 -0.142841883245E+04 -0.74526E-06 -0.31702E-05 804 0.114E-02
34 F= -.14284188E+04 E0= -.14284348E+04 d E =-.730746E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841911204E+04 -0.28034E-03 -0.48513E-02 890 0.376E-01 0.491E-02
DAV: 2 -0.142841920323E+04 -0.91189E-04 -0.11652E-03 1020 0.520E-02 0.327E-02
DAV: 3 -0.142841919465E+04 0.85789E-05 -0.30987E-05 836 0.119E-02
35 F= -.14284192E+04 E0= -.14284352E+04 d E =-.362200E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841921167E+04 -0.84373E-05 -0.46187E-02 890 0.367E-01 0.505E-02
DAV: 2 -0.142841928872E+04 -0.77050E-04 -0.10412E-03 1028 0.494E-02 0.334E-02
DAV: 3 -0.142841928076E+04 0.79573E-05 -0.30881E-05 836 0.117E-02
36 F= -.14284193E+04 E0= -.14284354E+04 d E =-.448309E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841945308E+04 -0.16436E-03 -0.32697E-02 890 0.306E-01 0.409E-02
DAV: 2 -0.142841950546E+04 -0.52387E-04 -0.67469E-04 1020 0.392E-02 0.271E-02
DAV: 3 -0.142841950120E+04 0.42593E-05 -0.17710E-05 676 0.915E-03
37 F= -.14284195E+04 E0= -.14284356E+04 d E =-.220447E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841947767E+04 0.27796E-04 -0.12093E-01 890 0.589E-01 0.755E-02
DAV: 2 -0.142841967811E+04 -0.20045E-03 -0.25345E-03 1020 0.758E-02 0.509E-02
DAV: 3 -0.142841966175E+04 0.16363E-04 -0.69660E-05 1052 0.171E-02 0.303E-02
DAV: 4 -0.142841966123E+04 0.52575E-06 -0.37709E-05 900 0.124E-02
38 F= -.14284197E+04 E0= -.14284357E+04 d E =-.380468E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841994194E+04 -0.28018E-03 -0.46255E-02 890 0.364E-01 0.477E-02
DAV: 2 -0.142842002145E+04 -0.79512E-04 -0.10415E-03 1020 0.494E-02 0.315E-02
DAV: 3 -0.142842001485E+04 0.65993E-05 -0.30843E-05 796 0.112E-02
39 F= -.14284200E+04 E0= -.14284360E+04 d E =-.353623E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842002999E+04 -0.85450E-05 -0.81525E-02 890 0.484E-01 0.651E-02
DAV: 2 -0.142842015999E+04 -0.13000E-03 -0.17674E-03 1028 0.644E-02 0.430E-02
DAV: 3 -0.142842014880E+04 0.11193E-04 -0.59649E-05 1036 0.146E-02 0.250E-02
DAV: 4 -0.142842014728E+04 0.15259E-05 -0.22817E-05 628 0.106E-02
40 F= -.14284201E+04 E0= -.14284360E+04 d E =-.486050E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842036753E+04 -0.21873E-03 -0.54840E-02 890 0.398E-01 0.516E-02
DAV: 2 -0.142842046167E+04 -0.94138E-04 -0.12024E-03 1020 0.529E-02 0.343E-02
DAV: 3 -0.142842045460E+04 0.70624E-05 -0.33754E-05 844 0.120E-02
41 F= -.14284205E+04 E0= -.14284363E+04 d E =-.307327E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842038123E+04 0.80439E-04 -0.14870E-01 890 0.655E-01 0.868E-02
DAV: 2 -0.142842061974E+04 -0.23852E-03 -0.31434E-03 1020 0.856E-02 0.578E-02
DAV: 3 -0.142842060205E+04 0.17691E-04 -0.99830E-05 1060 0.194E-02 0.343E-02
DAV: 4 -0.142842060187E+04 0.18552E-06 -0.49331E-05 868 0.142E-02
42 F= -.14284206E+04 E0= -.14284365E+04 d E =-.454590E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842080914E+04 -0.20709E-03 -0.83624E-02 890 0.492E-01 0.637E-02
DAV: 2 -0.142842096250E+04 -0.15336E-03 -0.19221E-03 1028 0.661E-02 0.420E-02
DAV: 3 -0.142842095088E+04 0.11622E-04 -0.47989E-05 948 0.142E-02 0.253E-02
DAV: 4 -0.142842095004E+04 0.83311E-06 -0.28286E-05 764 0.111E-02
43 F= -.14284210E+04 E0= -.14284369E+04 d E =-.348178E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842096644E+04 -0.15559E-04 -0.33868E-02 890 0.313E-01 0.408E-02
DAV: 2 -0.142842102881E+04 -0.62375E-04 -0.77974E-04 1028 0.421E-02 0.266E-02
DAV: 3 -0.142842102385E+04 0.49639E-05 -0.16819E-05 644 0.909E-03
44 F= -.14284210E+04 E0= -.14284370E+04 d E =-.421981E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842128719E+04 -0.25838E-03 -0.39572E-02 890 0.339E-01 0.445E-02
DAV: 2 -0.142842135048E+04 -0.63291E-04 -0.84521E-04 1028 0.447E-02 0.293E-02
DAV: 3 -0.142842134427E+04 0.62063E-05 -0.24762E-05 732 0.104E-02
45 F= -.14284213E+04 E0= -.14284373E+04 d E =-.320425E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842138689E+04 -0.36408E-04 -0.39346E-02 890 0.338E-01 0.454E-02
DAV: 2 -0.142842144798E+04 -0.61089E-04 -0.82364E-04 1036 0.442E-02 0.296E-02
DAV: 3 -0.142842144207E+04 0.59067E-05 -0.24449E-05 740 0.103E-02
46 F= -.14284214E+04 E0= -.14284374E+04 d E =-.418222E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842162570E+04 -0.17772E-03 -0.52067E-02 890 0.387E-01 0.513E-02
DAV: 2 -0.142842170951E+04 -0.83815E-04 -0.11154E-03 1020 0.507E-02 0.334E-02
DAV: 3 -0.142842170174E+04 0.77674E-05 -0.31327E-05 828 0.118E-02
47 F= -.14284217E+04 E0= -.14284376E+04 d E =-.259676E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842171323E+04 -0.37144E-05 -0.39986E-02 890 0.339E-01 0.464E-02
DAV: 2 -0.142842177468E+04 -0.61458E-04 -0.83657E-04 1020 0.440E-02 0.300E-02
DAV: 3 -0.142842176874E+04 0.59395E-05 -0.23868E-05 740 0.105E-02
48 F= -.14284218E+04 E0= -.14284376E+04 d E =-.326676E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842197371E+04 -0.19903E-03 -0.53826E-02 890 0.394E-01 0.537E-02
DAV: 2 -0.142842206170E+04 -0.87989E-04 -0.11838E-03 1004 0.529E-02 0.338E-02
DAV: 3 -0.142842205461E+04 0.70887E-05 -0.36586E-05 916 0.119E-02
49 F= -.14284221E+04 E0= -.14284380E+04 d E =-.285867E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842205004E+04 0.11657E-04 -0.81517E-02 890 0.485E-01 0.669E-02
DAV: 2 -0.142842218093E+04 -0.13088E-03 -0.17778E-03 1004 0.649E-02 0.422E-02
DAV: 3 -0.142842217031E+04 0.10615E-04 -0.57758E-05 1036 0.147E-02 0.245E-02
DAV: 4 -0.142842216995E+04 0.36660E-06 -0.23982E-05 668 0.104E-02
50 F= -.14284222E+04 E0= -.14284381E+04 d E =-.401200E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842233000E+04 -0.15969E-03 -0.60129E-02 890 0.415E-01 0.549E-02
DAV: 2 -0.142842243171E+04 -0.10171E-03 -0.13471E-03 1020 0.562E-02 0.363E-02
DAV: 3 -0.142842242255E+04 0.91582E-05 -0.39219E-05 884 0.129E-02
51 F= -.14284224E+04 E0= -.14284384E+04 d E =-.252604E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842240838E+04 0.23325E-04 -0.49140E-02 890 0.375E-01 0.526E-02
DAV: 2 -0.142842248193E+04 -0.73547E-04 -0.10375E-03 1020 0.496E-02 0.345E-02
DAV: 3 -0.142842247519E+04 0.67418E-05 -0.35037E-05 868 0.117E-02
52 F= -.14284225E+04 E0= -.14284385E+04 d E =-.305242E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842266564E+04 -0.18371E-03 -0.69065E-02 890 0.443E-01 0.585E-02
DAV: 2 -0.142842277078E+04 -0.10515E-03 -0.13916E-03 1020 0.565E-02 0.381E-02
DAV: 3 -0.142842276254E+04 0.82387E-05 -0.37788E-05 916 0.125E-02
53 F= -.14284228E+04 E0= -.14284388E+04 d E =-.287358E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842262747E+04 0.14331E-03 -0.23606E-01 890 0.819E-01 0.106E-01
DAV: 2 -0.142842299455E+04 -0.36707E-03 -0.47740E-03 1012 0.104E-01 0.693E-02
DAV: 3 -0.142842296600E+04 0.28546E-04 -0.12856E-04 1092 0.229E-02 0.400E-02
DAV: 4 -0.142842296584E+04 0.16041E-06 -0.66968E-05 1004 0.166E-02
54 F= -.14284230E+04 E0= -.14284389E+04 d E =-.490652E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842318118E+04 -0.21518E-03 -0.73343E-02 890 0.456E-01 0.590E-02
DAV: 2 -0.142842330157E+04 -0.12038E-03 -0.15229E-03 1012 0.587E-02 0.381E-02
DAV: 3 -0.142842329308E+04 0.84922E-05 -0.38625E-05 892 0.131E-02
55 F= -.14284233E+04 E0= -.14284392E+04 d E =-.327237E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842250227E+04 0.79929E-03 -0.65290E-01 890 0.136E+00 0.174E-01
DAV: 2 -0.142842353195E+04 -0.10297E-02 -0.13251E-02 1004 0.173E-01 0.114E-01
DAV: 3 -0.142842345579E+04 0.76156E-04 -0.35849E-04 1068 0.378E-02 0.649E-02
DAV: 4 -0.142842345383E+04 0.19641E-05 -0.15776E-04 1004 0.251E-02 0.169E-02
DAV: 5 -0.142842345446E+04 -0.63137E-06 -0.28563E-05 708 0.116E-02
56 F= -.14284235E+04 E0= -.14284395E+04 d E =-.488619E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842339459E+04 0.59233E-04 -0.10039E-01 890 0.534E-01 0.665E-02
DAV: 2 -0.142842354958E+04 -0.15498E-03 -0.20499E-03 1004 0.684E-02 0.442E-02
DAV: 3 -0.142842353605E+04 0.13523E-04 -0.56769E-05 1012 0.149E-02 0.254E-02
DAV: 4 -0.142842353500E+04 0.10526E-05 -0.25375E-05 708 0.103E-02
57 F= -.14284235E+04 E0= -.14284395E+04 d E =-.569160E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842373187E+04 -0.19582E-03 -0.11568E-01 890 0.574E-01 0.702E-02
DAV: 2 -0.142842392076E+04 -0.18889E-03 -0.24016E-03 972 0.737E-02 0.485E-02
DAV: 3 -0.142842390441E+04 0.16347E-04 -0.61712E-05 1036 0.161E-02 0.286E-02
DAV: 4 -0.142842390241E+04 0.20006E-05 -0.32845E-05 804 0.115E-02
58 F= -.14284239E+04 E0= -.14284399E+04 d E =-.367412E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842392860E+04 -0.24184E-04 -0.42951E-02 890 0.350E-01 0.448E-02
DAV: 2 -0.142842400178E+04 -0.73186E-04 -0.90665E-04 1004 0.454E-02 0.303E-02
DAV: 3 -0.142842399611E+04 0.56772E-05 -0.20351E-05 724 0.103E-02
59 F= -.14284240E+04 E0= -.14284400E+04 d E =-.461106E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842364131E+04 0.36047E-03 -0.16989E-01 890 0.696E-01 0.888E-02
DAV: 2 -0.142842391307E+04 -0.27176E-03 -0.34652E-03 996 0.888E-02 0.602E-02
DAV: 3 -0.142842389197E+04 0.21106E-04 -0.92592E-05 1100 0.198E-02 0.355E-02
DAV: 4 -0.142842389111E+04 0.85427E-06 -0.50251E-05 884 0.140E-02
60 F= -.14284239E+04 E0= -.14284399E+04 d E =-.356113E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842385438E+04 0.37589E-04 -0.10604E-01 890 0.550E-01 0.670E-02
DAV: 2 -0.142842402349E+04 -0.16911E-03 -0.21914E-03 980 0.704E-02 0.465E-02
DAV: 3 -0.142842400777E+04 0.15720E-04 -0.57151E-05 1004 0.154E-02 0.273E-02
DAV: 4 -0.142842400586E+04 0.19048E-05 -0.29870E-05 740 0.109E-02
61 F= -.14284240E+04 E0= -.14284400E+04 d E =-.470865E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842419702E+04 -0.18925E-03 -0.11766E-01 890 0.577E-01 0.713E-02
DAV: 2 -0.142842438610E+04 -0.18907E-03 -0.24238E-03 996 0.743E-02 0.474E-02
DAV: 3 -0.142842437079E+04 0.15306E-04 -0.59633E-05 1028 0.156E-02 0.276E-02
DAV: 4 -0.142842436988E+04 0.91116E-06 -0.31926E-05 796 0.115E-02
62 F= -.14284244E+04 E0= -.14284403E+04 d E =-.364015E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842439667E+04 -0.25878E-04 -0.10189E-01 890 0.537E-01 0.686E-02
DAV: 2 -0.142842456541E+04 -0.16874E-03 -0.21223E-03 1012 0.696E-02 0.447E-02
DAV: 3 -0.142842455338E+04 0.12032E-04 -0.51137E-05 988 0.150E-02 0.264E-02
DAV: 4 -0.142842455369E+04 -0.31575E-06 -0.29748E-05 780 0.111E-02
63 F= -.14284246E+04 E0= -.14284405E+04 d E =-.547829E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842454992E+04 0.34612E-05 -0.25490E-02 890 0.268E-01 0.351E-02
DAV: 2 -0.142842459309E+04 -0.43175E-04 -0.53648E-04 1012 0.351E-02 0.226E-02
DAV: 3 -0.142842459012E+04 0.29695E-05 -0.11137E-05 580 0.768E-03
64 F= -.14284246E+04 E0= -.14284405E+04 d E =-.584257E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842479376E+04 -0.20067E-03 -0.11578E-01 890 0.572E-01 0.740E-02
DAV: 2 -0.142842497434E+04 -0.18058E-03 -0.23791E-03 1020 0.741E-02 0.490E-02
DAV: 3 -0.142842495954E+04 0.14801E-04 -0.66399E-05 1044 0.164E-02 0.285E-02
DAV: 4 -0.142842495952E+04 0.20074E-07 -0.36346E-05 844 0.121E-02
65 F= -.14284250E+04 E0= -.14284409E+04 d E =-.369398E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842499113E+04 -0.31586E-04 -0.34145E-02 890 0.310E-01 0.405E-02
DAV: 2 -0.142842504848E+04 -0.57354E-04 -0.72689E-04 1028 0.410E-02 0.267E-02
DAV: 3 -0.142842504373E+04 0.47441E-05 -0.16357E-05 628 0.924E-03
66 F= -.14284250E+04 E0= -.14284409E+04 d E =-.453613E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842478050E+04 0.26798E-03 -0.13453E-01 890 0.617E-01 0.802E-02
DAV: 2 -0.142842498830E+04 -0.20780E-03 -0.27461E-03 1028 0.797E-02 0.529E-02
DAV: 3 -0.142842497139E+04 0.16910E-04 -0.76839E-05 1060 0.176E-02 0.308E-02
DAV: 4 -0.142842497138E+04 0.17943E-07 -0.42201E-05 868 0.131E-02
67 F= -.14284250E+04 E0= -.14284408E+04 d E =-.381254E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842495051E+04 0.20880E-04 -0.76098E-02 890 0.464E-01 0.577E-02
DAV: 2 -0.142842506810E+04 -0.11758E-03 -0.15730E-03 1004 0.602E-02 0.390E-02
DAV: 3 -0.142842505677E+04 0.11323E-04 -0.42423E-05 932 0.130E-02 0.225E-02
DAV: 4 -0.142842505568E+04 0.10918E-05 -0.22339E-05 620 0.949E-03
68 F= -.14284251E+04 E0= -.14284409E+04 d E =-.465561E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842522118E+04 -0.16441E-03 -0.12210E-01 890 0.587E-01 0.728E-02
DAV: 2 -0.142842541433E+04 -0.19314E-03 -0.25025E-03 996 0.752E-02 0.487E-02
DAV: 3 -0.142842539847E+04 0.15854E-04 -0.61276E-05 1044 0.161E-02 0.285E-02
DAV: 4 -0.142842539820E+04 0.27269E-06 -0.36176E-05 860 0.118E-02
69 F= -.14284254E+04 E0= -.14284413E+04 d E =-.342517E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842541363E+04 -0.15159E-04 -0.11629E-01 890 0.572E-01 0.732E-02
DAV: 2 -0.142842560406E+04 -0.19043E-03 -0.24220E-03 1004 0.740E-02 0.482E-02
DAV: 3 -0.142842558989E+04 0.14173E-04 -0.58279E-05 1004 0.163E-02 0.286E-02
DAV: 4 -0.142842559065E+04 -0.76673E-06 -0.37006E-05 844 0.119E-02
70 F= -.14284256E+04 E0= -.14284415E+04 d E =-.534971E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842486756E+04 0.72233E-03 -0.46405E-01 890 0.114E+00 0.145E-01
DAV: 2 -0.142842562328E+04 -0.75572E-03 -0.96388E-03 1004 0.147E-01 0.958E-02
DAV: 3 -0.142842556617E+04 0.57103E-04 -0.23582E-04 1076 0.322E-02 0.567E-02
DAV: 4 -0.142842556757E+04 -0.13944E-05 -0.14074E-04 1004 0.232E-02 0.154E-02
DAV: 5 -0.142842556712E+04 0.45096E-06 -0.21914E-05 676 0.108E-02
71 F= -.14284256E+04 E0= -.14284415E+04 d E =-.511432E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842532332E+04 0.24425E-03 -0.22068E-01 890 0.788E-01 0.986E-02
DAV: 2 -0.142842567094E+04 -0.34762E-03 -0.45283E-03 996 0.101E-01 0.658E-02
DAV: 3 -0.142842564243E+04 0.28506E-04 -0.11443E-04 1076 0.220E-02 0.386E-02
DAV: 4 -0.142842564166E+04 0.77122E-06 -0.65077E-05 980 0.158E-02
72 F= -.14284256E+04 E0= -.14284416E+04 d E =-.585978E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842555965E+04 0.82779E-04 -0.54813E-02 890 0.393E-01 0.478E-02
DAV: 2 -0.142842564441E+04 -0.84758E-04 -0.11168E-03 988 0.502E-02 0.324E-02
DAV: 3 -0.142842563670E+04 0.77082E-05 -0.25505E-05 772 0.106E-02
73 F= -.14284256E+04 E0= -.14284416E+04 d E =-.581020E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842577050E+04 -0.12609E-03 -0.70235E-02 890 0.444E-01 0.582E-02
DAV: 2 -0.142842587873E+04 -0.10823E-03 -0.14142E-03 980 0.564E-02 0.374E-02
DAV: 3 -0.142842587139E+04 0.73410E-05 -0.34385E-05 868 0.121E-02
74 F= -.14284259E+04 E0= -.14284418E+04 d E =-.234684E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842526612E+04 0.61261E-03 -0.63624E-01 890 0.134E+00 0.171E-01
DAV: 2 -0.142842628835E+04 -0.10222E-02 -0.13094E-02 972 0.171E-01 0.111E-01
DAV: 3 -0.142842621637E+04 0.71974E-04 -0.31347E-04 1076 0.362E-02 0.648E-02
DAV: 4 -0.142842621980E+04 -0.34284E-05 -0.17477E-04 1012 0.262E-02 0.167E-02
DAV: 5 -0.142842621989E+04 -0.87064E-07 -0.29739E-05 724 0.118E-02
75 F= -.14284262E+04 E0= -.14284422E+04 d E =-.583185E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842650935E+04 -0.28955E-03 -0.63124E-02 890 0.423E-01 0.542E-02
DAV: 2 -0.142842661807E+04 -0.10872E-03 -0.13575E-03 1020 0.555E-02 0.351E-02
DAV: 3 -0.142842661020E+04 0.78778E-05 -0.32350E-05 852 0.122E-02
76 F= -.14284266E+04 E0= -.14284425E+04 d E =-.390308E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842622569E+04 0.39238E-03 -0.52030E-01 890 0.121E+00 0.157E-01
DAV: 2 -0.142842707183E+04 -0.84614E-03 -0.10943E-02 1012 0.158E-01 0.102E-01
DAV: 3 -0.142842700439E+04 0.67440E-04 -0.29864E-04 1084 0.353E-02 0.596E-02
DAV: 4 -0.142842700122E+04 0.31761E-05 -0.14666E-04 1012 0.255E-02 0.163E-02
DAV: 5 -0.142842700059E+04 0.63227E-06 -0.29487E-05 764 0.127E-02
77 F= -.14284270E+04 E0= -.14284426E+04 d E =-.780698E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842714541E+04 -0.14419E-03 -0.90171E-02 890 0.505E-01 0.642E-02
DAV: 2 -0.142842729744E+04 -0.15203E-03 -0.18893E-03 996 0.651E-02 0.419E-02
DAV: 3 -0.142842728661E+04 0.10837E-04 -0.42824E-05 948 0.141E-02 0.246E-02
DAV: 4 -0.142842728657E+04 0.37100E-07 -0.25304E-05 724 0.106E-02
78 F= -.14284273E+04 E0= -.14284429E+04 d E =-.285984E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842709018E+04 0.19643E-03 -0.29913E-01 890 0.918E-01 0.117E-01
DAV: 2 -0.142842758940E+04 -0.49922E-03 -0.62690E-03 988 0.119E-01 0.766E-02
DAV: 3 -0.142842755275E+04 0.36653E-04 -0.15103E-04 1084 0.259E-02 0.452E-02
DAV: 4 -0.142842755373E+04 -0.98599E-06 -0.84579E-05 988 0.180E-02
79 F= -.14284276E+04 E0= -.14284431E+04 d E =-.553146E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842791168E+04 -0.35893E-03 -0.48618E-02 890 0.373E-01 0.503E-02
DAV: 2 -0.142842799562E+04 -0.83945E-04 -0.11031E-03 1020 0.510E-02 0.327E-02
DAV: 3 -0.142842798784E+04 0.77816E-05 -0.33341E-05 868 0.122E-02
80 F= -.14284280E+04 E0= -.14284436E+04 d E =-.434110E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842798133E+04 0.14298E-04 -0.14232E-01 890 0.639E-01 0.872E-02
DAV: 2 -0.142842820863E+04 -0.22731E-03 -0.31170E-03 1028 0.861E-02 0.567E-02
DAV: 3 -0.142842818616E+04 0.22475E-04 -0.10684E-04 1068 0.203E-02 0.329E-02
DAV: 4 -0.142842818402E+04 0.21335E-05 -0.44500E-05 948 0.135E-02
81 F= -.14284282E+04 E0= -.14284440E+04 d E =-.630291E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842818544E+04 0.71876E-06 -0.97723E-03 890 0.168E-01 0.210E-02
DAV: 2 -0.142842820055E+04 -0.15116E-04 -0.21753E-04 1020 0.228E-02 0.143E-02
DAV: 3 -0.142842819858E+04 0.19741E-05 -0.66322E-06 508 0.525E-03
82 F= -.14284282E+04 E0= -.14284440E+04 d E =-.644848E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842840990E+04 -0.20935E-03 -0.45014E-02 890 0.360E-01 0.457E-02
DAV: 2 -0.142842849100E+04 -0.81098E-04 -0.10391E-03 1012 0.493E-02 0.308E-02
DAV: 3 -0.142842848273E+04 0.82718E-05 -0.27044E-05 788 0.112E-02
83 F= -.14284285E+04 E0= -.14284443E+04 d E =-.284148E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842850248E+04 -0.11479E-04 -0.39475E-02 890 0.337E-01 0.472E-02
DAV: 2 -0.142842856498E+04 -0.62499E-04 -0.85069E-04 1020 0.450E-02 0.306E-02
DAV: 3 -0.142842855875E+04 0.62252E-05 -0.24967E-05 772 0.106E-02
84 F= -.14284286E+04 E0= -.14284443E+04 d E =-.360172E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842874063E+04 -0.17565E-03 -0.54064E-02 890 0.393E-01 0.522E-02
DAV: 2 -0.142842882946E+04 -0.88826E-04 -0.11578E-03 1020 0.518E-02 0.341E-02
DAV: 3 -0.142842882242E+04 0.70416E-05 -0.32071E-05 836 0.119E-02
85 F= -.14284288E+04 E0= -.14284445E+04 d E =-.263665E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842881999E+04 0.94674E-05 -0.64956E-02 890 0.431E-01 0.578E-02
DAV: 2 -0.142842892494E+04 -0.10495E-03 -0.13727E-03 1020 0.563E-02 0.377E-02
DAV: 3 -0.142842891663E+04 0.83066E-05 -0.39118E-05 916 0.130E-02
86 F= -.14284289E+04 E0= -.14284446E+04 d E =-.357882E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842911574E+04 -0.19079E-03 -0.50744E-02 890 0.378E-01 0.516E-02
DAV: 2 -0.142842919781E+04 -0.82075E-04 -0.10801E-03 1004 0.498E-02 0.329E-02
DAV: 3 -0.142842919168E+04 0.61284E-05 -0.32086E-05 860 0.111E-02
87 F= -.14284292E+04 E0= -.14284448E+04 d E =-.275048E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842913308E+04 0.64731E-04 -0.14197E-01 890 0.633E-01 0.843E-02
DAV: 2 -0.142842936836E+04 -0.23528E-03 -0.30496E-03 1004 0.833E-02 0.542E-02
DAV: 3 -0.142842935055E+04 0.17809E-04 -0.87665E-05 1060 0.181E-02 0.312E-02
DAV: 4 -0.142842935159E+04 -0.10439E-05 -0.37097E-05 828 0.121E-02
88 F= -.14284294E+04 E0= -.14284450E+04 d E =-.434958E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842950186E+04 -0.15131E-03 -0.72911E-02 890 0.452E-01 0.583E-02
DAV: 2 -0.142842962880E+04 -0.12694E-03 -0.15922E-03 1004 0.599E-02 0.384E-02
DAV: 3 -0.142842961959E+04 0.92062E-05 -0.39600E-05 932 0.132E-02
89 F= -.14284296E+04 E0= -.14284453E+04 d E =-.268001E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842941551E+04 0.21329E-03 -0.20678E-01 890 0.762E-01 0.100E-01
DAV: 2 -0.142842975347E+04 -0.33796E-03 -0.43787E-03 1004 0.995E-02 0.658E-02
DAV: 3 -0.142842972910E+04 0.24367E-04 -0.12131E-04 1092 0.219E-02 0.385E-02
DAV: 4 -0.142842973122E+04 -0.21183E-05 -0.62099E-05 932 0.155E-02
90 F= -.14284297E+04 E0= -.14284455E+04 d E =-.379625E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842969958E+04 0.29519E-04 -0.28331E-02 890 0.282E-01 0.344E-02
DAV: 2 -0.142842974523E+04 -0.45651E-04 -0.60366E-04 996 0.369E-02 0.235E-02
DAV: 3 -0.142842974080E+04 0.44310E-05 -0.14148E-05 644 0.772E-03
91 F= -.14284297E+04 E0= -.14284455E+04 d E =-.389209E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842994120E+04 -0.19597E-03 -0.78495E-02 890 0.470E-01 0.587E-02
DAV: 2 -0.142843008716E+04 -0.14596E-03 -0.18199E-03 1004 0.641E-02 0.391E-02
DAV: 3 -0.142843007541E+04 0.11750E-04 -0.46485E-05 964 0.138E-02 0.235E-02
DAV: 4 -0.142843007472E+04 0.69168E-06 -0.25025E-05 700 0.103E-02
92 F= -.14284301E+04 E0= -.14284458E+04 d E =-.333923E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843009841E+04 -0.22991E-04 -0.42694E-02 890 0.346E-01 0.459E-02
DAV: 2 -0.142843017625E+04 -0.77847E-04 -0.97422E-04 1012 0.470E-02 0.297E-02
DAV: 3 -0.142843017044E+04 0.58162E-05 -0.24164E-05 788 0.105E-02
93 F= -.14284302E+04 E0= -.14284459E+04 d E =-.429637E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843032823E+04 -0.15197E-03 -0.71589E-02 890 0.448E-01 0.588E-02
DAV: 2 -0.142843045170E+04 -0.12347E-03 -0.15870E-03 1004 0.594E-02 0.392E-02
DAV: 3 -0.142843044188E+04 0.98172E-05 -0.41112E-05 948 0.131E-02
94 F= -.14284304E+04 E0= -.14284462E+04 d E =-.271442E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843044579E+04 0.59025E-05 -0.30903E-02 890 0.294E-01 0.405E-02
DAV: 2 -0.142843049488E+04 -0.49089E-04 -0.65268E-04 1004 0.383E-02 0.265E-02
DAV: 3 -0.142843049112E+04 0.37601E-05 -0.17555E-05 716 0.868E-03
95 F= -.14284305E+04 E0= -.14284462E+04 d E =-.320686E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843062376E+04 -0.12888E-03 -0.42730E-02 890 0.344E-01 0.443E-02
DAV: 2 -0.142843069469E+04 -0.70934E-04 -0.89695E-04 996 0.442E-02 0.287E-02
DAV: 3 -0.142843069045E+04 0.42409E-05 -0.20194E-05 748 0.919E-03
96 F= -.14284307E+04 E0= -.14284464E+04 d E =-.199330E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843033285E+04 0.36184E-03 -0.38659E-01 890 0.103E+00 0.130E-01
DAV: 2 -0.142843099370E+04 -0.66085E-03 -0.82513E-03 996 0.134E-01 0.853E-02
DAV: 3 -0.142843095188E+04 0.41812E-04 -0.19354E-04 1076 0.274E-02 0.500E-02
DAV: 4 -0.142843095608E+04 -0.41938E-05 -0.10459E-04 988 0.207E-02 0.132E-02
DAV: 5 -0.142843095637E+04 -0.29110E-06 -0.18132E-05 676 0.934E-03
97 F= -.14284310E+04 E0= -.14284467E+04 d E =-.465246E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843111603E+04 -0.15995E-03 -0.62936E-02 890 0.416E-01 0.525E-02
DAV: 2 -0.142843122912E+04 -0.11309E-03 -0.13832E-03 996 0.546E-02 0.338E-02
DAV: 3 -0.142843122250E+04 0.66141E-05 -0.28892E-05 828 0.109E-02
98 F= -.14284312E+04 E0= -.14284470E+04 d E =-.266135E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843060418E+04 0.62494E-03 -0.54052E-01 890 0.122E+00 0.155E-01
DAV: 2 -0.142843152660E+04 -0.92242E-03 -0.11608E-02 996 0.159E-01 0.100E-01
DAV: 3 -0.142843146860E+04 0.57998E-04 -0.28245E-04 1068 0.322E-02 0.586E-02
DAV: 4 -0.142843147365E+04 -0.50544E-05 -0.13839E-04 988 0.240E-02 0.157E-02
DAV: 5 -0.142843147397E+04 -0.32199E-06 -0.25899E-05 772 0.114E-02
99 F= -.14284315E+04 E0= -.14284471E+04 d E =-.517605E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843144883E+04 0.24827E-04 -0.26751E-02 890 0.271E-01 0.335E-02
DAV: 2 -0.142843149226E+04 -0.43439E-04 -0.57346E-04 996 0.356E-02 0.224E-02
DAV: 3 -0.142843148838E+04 0.38852E-05 -0.13369E-05 628 0.736E-03
100 F= -.14284315E+04 E0= -.14284471E+04 d E =-.532010E-03