N E dE d eps ncg rms rms(c)
DAV: 1 0.122008296793E+04 0.12201E+04 -0.10037E+05 1400 0.109E+03
DAV: 2 -0.385161194965E+03 -0.16052E+04 -0.15319E+04 1756 0.248E+02
DAV: 3 -0.558498599784E+03 -0.17334E+03 -0.17079E+03 1696 0.799E+01
DAV: 4 -0.567627845302E+03 -0.91292E+01 -0.91022E+01 1856 0.197E+01
DAV: 5 -0.567945783769E+03 -0.31794E+00 -0.31762E+00 1808 0.341E+00 0.503E+01
DAV: 6 -0.499992740738E+03 0.67953E+02 -0.23734E+02 1528 0.253E+01 0.228E+01
DAV: 7 -0.499401380491E+03 0.59136E+00 -0.33011E+01 1800 0.102E+01 0.123E+01
DAV: 8 -0.497433453577E+03 0.19679E+01 -0.88436E+00 1776 0.730E+00 0.699E+00
DAV: 9 -0.497297941629E+03 0.13551E+00 -0.40065E+00 1592 0.381E+00 0.295E+00
DAV: 10 -0.497226575283E+03 0.71366E-01 -0.28887E+00 1672 0.406E+00 0.169E+00
DAV: 11 -0.497090014646E+03 0.13656E+00 -0.34633E-01 1600 0.205E+00 0.114E+00
DAV: 12 -0.497071108576E+03 0.18906E-01 -0.17601E-01 1832 0.999E-01 0.869E-01
DAV: 13 -0.497069231201E+03 0.18774E-02 -0.56506E-02 1600 0.528E-01 0.614E-01
DAV: 14 -0.497065036742E+03 0.41945E-02 -0.14331E-02 1688 0.241E-01 0.401E-01
DAV: 15 -0.497061802976E+03 0.32338E-02 -0.13757E-02 1768 0.215E-01 0.233E-01
DAV: 16 -0.497061389972E+03 0.41300E-03 -0.72717E-03 1608 0.148E-01 0.147E-01
DAV: 17 -0.497061786944E+03 -0.39697E-03 -0.19700E-03 1584 0.114E-01 0.101E-01
DAV: 18 -0.497062780191E+03 -0.99325E-03 -0.18595E-03 1560 0.926E-02 0.735E-02
DAV: 19 -0.497064755269E+03 -0.19751E-02 -0.10817E-03 1616 0.625E-02 0.534E-02
DAV: 20 -0.497065962729E+03 -0.12075E-02 -0.41629E-04 1640 0.541E-02 0.610E-02
DAV: 21 -0.497066984204E+03 -0.10215E-02 -0.41619E-04 1624 0.548E-02 0.350E-02
DAV: 22 -0.497067425765E+03 -0.44156E-03 -0.21947E-04 1592 0.318E-02 0.229E-02
DAV: 23 -0.497067709157E+03 -0.28339E-03 -0.10526E-04 1456 0.204E-02 0.180E-02
DAV: 24 -0.497067810569E+03 -0.10141E-03 -0.60935E-05 1392 0.141E-02 0.115E-02
DAV: 25 -0.497067860654E+03 -0.50085E-04 -0.11738E-05 1000 0.753E-03 0.573E-03
DAV: 26 -0.497067898496E+03 -0.37842E-04 -0.10916E-05 1136 0.776E-03 0.386E-03
DAV: 27 -0.497067916209E+03 -0.17713E-04 -0.47440E-06 992 0.460E-03 0.249E-03
DAV: 28 -0.497067923745E+03 -0.75357E-05 -0.15178E-06 992 0.210E-03
1 F= -.49706792E+03 E0= -.49707495E+03 d E =-.497068E+03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.501047238941E+03 -0.39793E+01 -0.28836E+02 1408 0.413E+01 0.696E+00
DAV: 2 -0.501150314347E+03 -0.10308E+00 -0.82654E+00 1616 0.694E+00 0.280E+00
DAV: 3 -0.501054008853E+03 0.96305E-01 -0.13257E+00 1640 0.253E+00 0.156E+00
DAV: 4 -0.501048793655E+03 0.52152E-02 -0.38832E-01 1744 0.138E+00 0.122E+00
DAV: 5 -0.501027685954E+03 0.21108E-01 -0.17454E-01 1688 0.100E+00 0.642E-01
DAV: 6 -0.501027412159E+03 0.27380E-03 -0.43916E-02 1592 0.563E-01 0.290E-01
DAV: 7 -0.501027780994E+03 -0.36884E-03 -0.12803E-02 1576 0.234E-01 0.176E-01
DAV: 8 -0.501027819859E+03 -0.38865E-04 -0.22825E-03 1624 0.110E-01 0.933E-02
DAV: 9 -0.501027943649E+03 -0.12379E-03 -0.43977E-04 1552 0.561E-02 0.338E-02
DAV: 10 -0.501028012306E+03 -0.68657E-04 -0.13282E-04 1656 0.280E-02 0.197E-02
DAV: 11 -0.501028064793E+03 -0.52487E-04 -0.33540E-05 1304 0.145E-02 0.109E-02
DAV: 12 -0.501028095572E+03 -0.30779E-04 -0.10034E-05 1104 0.774E-03 0.437E-03
DAV: 13 -0.501028128938E+03 -0.33366E-04 -0.63016E-06 1064 0.541E-03 0.223E-03
DAV: 14 -0.501028150056E+03 -0.21118E-04 -0.19694E-06 1008 0.296E-03 0.179E-03
DAV: 15 -0.501028173917E+03 -0.23861E-04 -0.29648E-06 1072 0.246E-03 0.105E-03
DAV: 16 -0.501028192208E+03 -0.18292E-04 -0.24531E-06 1064 0.220E-03 0.586E-04
DAV: 17 -0.501028199553E+03 -0.73446E-05 -0.13924E-06 1048 0.155E-03
2 F= -.50102820E+03 E0= -.50104514E+03 d E =-.396028E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.501041040779E+03 -0.12849E-01 -0.93549E-01 1424 0.242E+00 0.324E-01
DAV: 2 -0.501041591189E+03 -0.55041E-03 -0.28410E-02 1648 0.385E-01 0.181E-01
DAV: 3 -0.501041188191E+03 0.40300E-03 -0.32557E-03 1616 0.167E-01 0.116E-01
DAV: 4 -0.501041056993E+03 0.13120E-03 -0.13648E-03 1608 0.120E-01 0.691E-02
DAV: 5 -0.501041038582E+03 0.18411E-04 -0.54444E-04 1560 0.608E-02 0.370E-02
DAV: 6 -0.501041048792E+03 -0.10210E-04 -0.12042E-04 1680 0.252E-02 0.230E-02
DAV: 7 -0.501041050742E+03 -0.19496E-05 -0.25102E-05 1168 0.144E-02
3 F= -.50104105E+03 E0= -.50105863E+03 d E =-.397313E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.500681316335E+03 0.35973E+00 -0.22004E+02 1384 0.368E+01 0.585E+00
DAV: 2 -0.501339749431E+03 -0.65843E+00 -0.93014E+00 1632 0.685E+00 0.309E+00
DAV: 3 -0.501256900781E+03 0.82849E-01 -0.67062E-01 1720 0.200E+00 0.209E+00
DAV: 4 -0.501232377275E+03 0.24524E-01 -0.16789E-01 1672 0.111E+00 0.977E-01
DAV: 5 -0.501229911265E+03 0.24660E-02 -0.61806E-02 1600 0.744E-01 0.410E-01
DAV: 6 -0.501229764667E+03 0.14660E-03 -0.18328E-02 1584 0.365E-01 0.184E-01
DAV: 7 -0.501230130204E+03 -0.36554E-03 -0.36981E-03 1688 0.144E-01 0.128E-01
DAV: 8 -0.501230400623E+03 -0.27042E-03 -0.99513E-04 1592 0.740E-02 0.470E-02
DAV: 9 -0.501230540962E+03 -0.14034E-03 -0.16554E-04 1624 0.350E-02 0.203E-02
DAV: 10 -0.501230678421E+03 -0.13746E-03 -0.81277E-05 1576 0.193E-02 0.110E-02
DAV: 11 -0.501230740685E+03 -0.62264E-04 -0.10746E-05 1088 0.819E-03 0.698E-03
DAV: 12 -0.501230827887E+03 -0.87202E-04 -0.17536E-05 1136 0.823E-03 0.484E-03
DAV: 13 -0.501230890782E+03 -0.62895E-04 -0.63065E-06 1064 0.517E-03 0.236E-03
DAV: 14 -0.501230928414E+03 -0.37632E-04 -0.55050E-06 1072 0.384E-03 0.179E-03
DAV: 15 -0.501230956634E+03 -0.28219E-04 -0.37670E-06 1072 0.292E-03 0.950E-04
DAV: 16 -0.501230967689E+03 -0.11056E-04 -0.15388E-06 1048 0.185E-03 0.553E-04
DAV: 17 -0.501230971975E+03 -0.42861E-05 -0.80659E-07 1008 0.120E-03
4 F= -.50123097E+03 E0= -.50123664E+03 d E =-.189921E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.501953000150E+03 -0.72203E+00 -0.52317E+01 1396 0.180E+01 0.230E+00
DAV: 2 -0.502068594702E+03 -0.11559E+00 -0.18262E+00 1648 0.305E+00 0.145E+00
DAV: 3 -0.502050777918E+03 0.17817E-01 -0.15033E-01 1664 0.961E-01 0.111E+00
DAV: 4 -0.502046269602E+03 0.45083E-02 -0.41622E-02 1576 0.452E-01 0.671E-01
DAV: 5 -0.502044602761E+03 0.16668E-02 -0.81947E-03 1616 0.215E-01 0.194E-01
DAV: 6 -0.502044640581E+03 -0.37820E-04 -0.27618E-03 1696 0.132E-01 0.739E-02
DAV: 7 -0.502044708022E+03 -0.67441E-04 -0.91538E-04 1632 0.677E-02 0.496E-02
DAV: 8 -0.502044729333E+03 -0.21311E-04 -0.81704E-05 1608 0.232E-02 0.261E-02
DAV: 9 -0.502044768569E+03 -0.39236E-04 -0.37397E-05 1360 0.155E-02 0.102E-02
DAV: 10 -0.502044800616E+03 -0.32046E-04 -0.13819E-05 1088 0.907E-03 0.491E-03
DAV: 11 -0.502044833184E+03 -0.32569E-04 -0.55945E-06 1080 0.537E-03 0.268E-03
DAV: 12 -0.502044858278E+03 -0.25094E-04 -0.28393E-06 1024 0.336E-03 0.209E-03
DAV: 13 -0.502044871695E+03 -0.13416E-04 -0.16394E-06 992 0.255E-03 0.129E-03
DAV: 14 -0.502044883939E+03 -0.12244E-04 -0.21757E-06 1000 0.214E-03 0.769E-04
DAV: 15 -0.502044885509E+03 -0.15703E-05 -0.56372E-07 1000 0.132E-03
5 F= -.50204489E+03 E0= -.50205536E+03 d E =-.100383E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.502435476665E+03 -0.39059E+00 -0.11258E+02 1408 0.262E+01 0.348E+00
DAV: 2 -0.502610029247E+03 -0.17455E+00 -0.32310E+00 1664 0.416E+00 0.190E+00
DAV: 3 -0.502547908978E+03 0.62120E-01 -0.23103E-01 1664 0.133E+00 0.122E+00
DAV: 4 -0.502537220994E+03 0.10688E-01 -0.12074E-01 1648 0.939E-01 0.637E-01
DAV: 5 -0.502536611403E+03 0.60959E-03 -0.51614E-02 1632 0.600E-01 0.286E-01
DAV: 6 -0.502536590199E+03 0.21204E-04 -0.11085E-02 1592 0.259E-01 0.162E-01
DAV: 7 -0.502536854547E+03 -0.26435E-03 -0.31606E-03 1680 0.120E-01 0.854E-02
DAV: 8 -0.502536909522E+03 -0.54976E-04 -0.50923E-04 1720 0.663E-02 0.429E-02
DAV: 9 -0.502537023354E+03 -0.11383E-03 -0.28885E-04 1560 0.432E-02 0.230E-02
DAV: 10 -0.502537113181E+03 -0.89827E-04 -0.76491E-05 1592 0.203E-02 0.777E-03
DAV: 11 -0.502537162536E+03 -0.49355E-04 -0.15186E-05 1072 0.933E-03 0.561E-03
DAV: 12 -0.502537225344E+03 -0.62808E-04 -0.85040E-06 1088 0.546E-03 0.308E-03
DAV: 13 -0.502537273872E+03 -0.48528E-04 -0.73716E-06 1080 0.435E-03 0.194E-03
DAV: 14 -0.502537305348E+03 -0.31477E-04 -0.67936E-06 1112 0.388E-03 0.170E-03
DAV: 15 -0.502537317828E+03 -0.12479E-04 -0.19903E-06 1056 0.297E-03 0.746E-04
DAV: 16 -0.502537323350E+03 -0.55225E-05 -0.11180E-06 1016 0.168E-03
6 F= -.50253732E+03 E0= -.50254061E+03 d E =-.492438E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.502653152825E+03 -0.11583E+00 -0.10378E+01 1408 0.801E+00 0.910E-01
DAV: 2 -0.502668230374E+03 -0.15078E-01 -0.28715E-01 1648 0.123E+00 0.576E-01
DAV: 3 -0.502662334019E+03 0.58964E-02 -0.20850E-02 1760 0.388E-01 0.347E-01
DAV: 4 -0.502661213234E+03 0.11208E-02 -0.99092E-03 1648 0.259E-01 0.143E-01
DAV: 5 -0.502661337516E+03 -0.12428E-03 -0.26972E-03 1632 0.131E-01 0.807E-02
DAV: 6 -0.502661329550E+03 0.79665E-05 -0.58475E-04 1680 0.575E-02 0.432E-02
DAV: 7 -0.502661341238E+03 -0.11689E-04 -0.12127E-04 1616 0.262E-02 0.220E-02
DAV: 8 -0.502661349055E+03 -0.78166E-05 -0.23500E-05 1192 0.131E-02
7 F= -.50266135E+03 E0= -.50266558E+03 d E =-.616464E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.502726602259E+03 -0.65261E-01 -0.46004E+01 1424 0.168E+01 0.199E+00
DAV: 2 -0.502798903099E+03 -0.72301E-01 -0.12698E+00 1640 0.257E+00 0.117E+00
DAV: 3 -0.502781251782E+03 0.17651E-01 -0.99439E-02 1680 0.772E-01 0.795E-01
DAV: 4 -0.502776436663E+03 0.48151E-02 -0.36224E-02 1632 0.466E-01 0.417E-01
DAV: 5 -0.502775281662E+03 0.11550E-02 -0.13866E-02 1632 0.322E-01 0.176E-01
DAV: 6 -0.502775211801E+03 0.69861E-04 -0.42909E-03 1576 0.187E-01 0.718E-02
DAV: 7 -0.502775236427E+03 -0.24626E-04 -0.13512E-03 1608 0.863E-02 0.445E-02
DAV: 8 -0.502775264925E+03 -0.28498E-04 -0.30672E-04 1608 0.384E-02 0.264E-02
DAV: 9 -0.502775276925E+03 -0.12000E-04 -0.27591E-05 1224 0.144E-02 0.145E-02
DAV: 10 -0.502775301199E+03 -0.24274E-04 -0.28527E-05 1208 0.145E-02 0.602E-03
DAV: 11 -0.502775314418E+03 -0.13219E-04 -0.97915E-06 1016 0.805E-03 0.352E-03
DAV: 12 -0.502775321378E+03 -0.69595E-05 -0.25095E-06 984 0.396E-03
8 F= -.50277532E+03 E0= -.50277748E+03 d E =-.113972E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.502838204009E+03 -0.62890E-01 -0.69257E+00 1408 0.652E+00 0.680E-01
DAV: 2 -0.502846853411E+03 -0.86494E-02 -0.16824E-01 1640 0.952E-01 0.442E-01
DAV: 3 -0.502844202401E+03 0.26510E-02 -0.13756E-02 1680 0.291E-01 0.268E-01
DAV: 4 -0.502843476175E+03 0.72623E-03 -0.66879E-03 1608 0.205E-01 0.109E-01
DAV: 5 -0.502843453135E+03 0.23040E-04 -0.22333E-03 1616 0.120E-01 0.570E-02
DAV: 6 -0.502843437377E+03 0.15758E-04 -0.33480E-04 1576 0.545E-02 0.294E-02
DAV: 7 -0.502843442237E+03 -0.48602E-05 -0.17549E-04 1680 0.268E-02 0.152E-02
DAV: 8 -0.502843440595E+03 0.16422E-05 -0.24963E-05 1224 0.153E-02
9 F= -.50284344E+03 E0= -.50284654E+03 d E =-.182092E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.502982584236E+03 -0.13914E+00 -0.23344E+01 1376 0.124E+01 0.128E+00
DAV: 2 -0.503000594222E+03 -0.18010E-01 -0.46508E-01 1616 0.163E+00 0.702E-01
DAV: 3 -0.502992881550E+03 0.77127E-02 -0.39765E-02 1664 0.522E-01 0.424E-01
DAV: 4 -0.502991478230E+03 0.14033E-02 -0.17742E-02 1648 0.340E-01 0.205E-01
DAV: 5 -0.502991401397E+03 0.76833E-04 -0.62065E-03 1600 0.199E-01 0.115E-01
DAV: 6 -0.502991407408E+03 -0.60111E-05 -0.11070E-03 1584 0.897E-02 0.518E-02
DAV: 7 -0.502991433958E+03 -0.26550E-04 -0.34914E-04 1672 0.425E-02 0.246E-02
DAV: 8 -0.502991430002E+03 0.39562E-05 -0.62428E-05 1560 0.218E-02
10 F= -.50299143E+03 E0= -.50299402E+03 d E =-.147989E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.502991439653E+03 -0.56948E-05 -0.76732E-04 1504 0.712E-02 0.925E-03
DAV: 2 -0.502991441893E+03 -0.22399E-05 -0.18009E-05 1064 0.114E-02
11 F= -.50299144E+03 E0= -.50299407E+03 d E =-.148001E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503086444457E+03 -0.95005E-01 -0.20266E+01 1392 0.111E+01 0.109E+00
DAV: 2 -0.503105442917E+03 -0.18998E-01 -0.38038E-01 1656 0.138E+00 0.654E-01
DAV: 3 -0.503099381209E+03 0.60617E-02 -0.25631E-02 1672 0.384E-01 0.404E-01
DAV: 4 -0.503097648232E+03 0.17330E-02 -0.95106E-03 1640 0.232E-01 0.153E-01
DAV: 5 -0.503097768180E+03 -0.11995E-03 -0.22734E-03 1648 0.127E-01 0.705E-02
DAV: 6 -0.503097798910E+03 -0.30730E-04 -0.56919E-04 1584 0.597E-02 0.361E-02
DAV: 7 -0.503097806279E+03 -0.73690E-05 -0.13907E-04 1584 0.300E-02 0.219E-02
DAV: 8 -0.503097817625E+03 -0.11346E-04 -0.50721E-05 1544 0.164E-02 0.982E-03
DAV: 9 -0.503097822314E+03 -0.46886E-05 -0.72531E-06 1024 0.804E-03
12 F= -.50309782E+03 E0= -.50310239E+03 d E =-.106380E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503097892395E+03 -0.74770E-04 -0.15227E-02 1432 0.306E-01 0.287E-02
DAV: 2 -0.503097909396E+03 -0.17001E-04 -0.28164E-04 1656 0.378E-02 0.175E-02
DAV: 3 -0.503097907532E+03 0.18641E-05 -0.18423E-05 1096 0.109E-02
13 F= -.50309791E+03 E0= -.50310251E+03 d E =-.106466E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503174981231E+03 -0.77072E-01 -0.10503E+01 1400 0.819E+00 0.814E-01
DAV: 2 -0.503186143948E+03 -0.11163E-01 -0.20730E-01 1712 0.101E+00 0.510E-01
DAV: 3 -0.503183053060E+03 0.30909E-02 -0.13356E-02 1704 0.281E-01 0.298E-01
DAV: 4 -0.503182353703E+03 0.69936E-03 -0.55721E-03 1624 0.171E-01 0.105E-01
DAV: 5 -0.503182405806E+03 -0.52103E-04 -0.11484E-03 1728 0.769E-02 0.499E-02
DAV: 6 -0.503182412793E+03 -0.69866E-05 -0.22639E-04 1704 0.383E-02 0.290E-02
DAV: 7 -0.503182420122E+03 -0.73291E-05 -0.59511E-05 1520 0.192E-02
14 F= -.50318242E+03 E0= -.50318885E+03 d E =-.845126E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503185867261E+03 -0.34545E-02 -0.75476E-01 1400 0.219E+00 0.215E-01
DAV: 2 -0.503186682076E+03 -0.81482E-03 -0.14882E-02 1712 0.271E-01 0.135E-01
DAV: 3 -0.503186465132E+03 0.21694E-03 -0.95769E-04 1712 0.755E-02 0.784E-02
DAV: 4 -0.503186421761E+03 0.43371E-04 -0.40464E-04 1632 0.463E-02 0.266E-02
DAV: 5 -0.503186428793E+03 -0.70323E-05 -0.81998E-05 1472 0.207E-02
15 F= -.50318643E+03 E0= -.50319337E+03 d E =-.885213E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503240717188E+03 -0.54295E-01 -0.63018E+00 1376 0.636E+00 0.663E-01
DAV: 2 -0.503246557683E+03 -0.58405E-02 -0.11758E-01 1656 0.776E-01 0.364E-01
DAV: 3 -0.503244497345E+03 0.20603E-02 -0.65148E-03 1696 0.233E-01 0.211E-01
DAV: 4 -0.503244228553E+03 0.26879E-03 -0.50424E-03 1640 0.165E-01 0.777E-02
DAV: 5 -0.503244240519E+03 -0.11966E-04 -0.87126E-04 1608 0.680E-02 0.606E-02
DAV: 6 -0.503244227291E+03 0.13227E-04 -0.20689E-04 1680 0.363E-02 0.317E-02
DAV: 7 -0.503244230436E+03 -0.31452E-05 -0.56725E-05 1504 0.179E-02
16 F= -.50324423E+03 E0= -.50325121E+03 d E =-.578016E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503252959048E+03 -0.87318E-02 -0.22234E+00 1376 0.378E+00 0.393E-01
DAV: 2 -0.503255027619E+03 -0.20686E-02 -0.41696E-02 1656 0.462E-01 0.217E-01
DAV: 3 -0.503254291095E+03 0.73652E-03 -0.23120E-03 1704 0.139E-01 0.126E-01
DAV: 4 -0.503254196739E+03 0.94355E-04 -0.17949E-03 1608 0.979E-02 0.463E-02
DAV: 5 -0.503254202664E+03 -0.59249E-05 -0.30822E-04 1616 0.403E-02 0.359E-02
DAV: 6 -0.503254199716E+03 0.29487E-05 -0.73437E-05 1608 0.217E-02
17 F= -.50325420E+03 E0= -.50326120E+03 d E =-.677709E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503281211206E+03 -0.27009E-01 -0.55448E+00 1376 0.569E+00 0.588E-01
DAV: 2 -0.503287252653E+03 -0.60414E-02 -0.11100E-01 1624 0.737E-01 0.360E-01
DAV: 3 -0.503285189270E+03 0.20634E-02 -0.75964E-03 1688 0.223E-01 0.208E-01
DAV: 4 -0.503284823604E+03 0.36567E-03 -0.40423E-03 1608 0.146E-01 0.811E-02
DAV: 5 -0.503284858145E+03 -0.34541E-04 -0.74882E-04 1688 0.631E-02 0.428E-02
DAV: 6 -0.503284857600E+03 0.54483E-06 -0.14506E-04 1728 0.297E-02 0.220E-02
DAV: 7 -0.503284858601E+03 -0.10009E-05 -0.38257E-05 1320 0.147E-02
18 F= -.50328486E+03 E0= -.50329165E+03 d E =-.306589E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503285005052E+03 -0.14745E-03 -0.31319E-02 1400 0.427E-01 0.437E-02
DAV: 2 -0.503285043675E+03 -0.38623E-04 -0.64593E-04 1632 0.561E-02 0.272E-02
DAV: 3 -0.503285033039E+03 0.10637E-04 -0.41383E-05 1496 0.170E-02 0.154E-02
DAV: 4 -0.503285033048E+03 -0.94005E-08 -0.25104E-05 1176 0.121E-02
19 F= -.50328503E+03 E0= -.50329179E+03 d E =-.308333E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503306920310E+03 -0.21887E-01 -0.31728E+00 1376 0.445E+00 0.480E-01
DAV: 2 -0.503309864362E+03 -0.29441E-02 -0.58982E-02 1640 0.555E-01 0.285E-01
DAV: 3 -0.503308812830E+03 0.10515E-02 -0.45895E-03 1720 0.179E-01 0.159E-01
DAV: 4 -0.503308708646E+03 0.10418E-03 -0.23333E-03 1648 0.111E-01 0.612E-02
DAV: 5 -0.503308700982E+03 0.76643E-05 -0.31067E-04 1712 0.429E-02 0.338E-02
DAV: 6 -0.503308705113E+03 -0.41312E-05 -0.10790E-04 1592 0.226E-02 0.137E-02
DAV: 7 -0.503308707185E+03 -0.20725E-05 -0.12985E-05 1000 0.942E-03
20 F= -.50330871E+03 E0= -.50331572E+03 d E =-.236741E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503309405448E+03 -0.70033E-03 -0.14237E-01 1392 0.943E-01 0.101E-01
DAV: 2 -0.503309536391E+03 -0.13094E-03 -0.26507E-03 1632 0.118E-01 0.601E-02
DAV: 3 -0.503309490528E+03 0.45863E-04 -0.20947E-04 1744 0.381E-02 0.336E-02
DAV: 4 -0.503309488501E+03 0.20267E-05 -0.10119E-04 1576 0.232E-02 0.128E-02
DAV: 5 -0.503309490459E+03 -0.19572E-05 -0.12253E-05 1024 0.907E-03
21 F= -.50330949E+03 E0= -.50331655E+03 d E =-.244574E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503329922716E+03 -0.20434E-01 -0.24862E+00 1376 0.390E+00 0.418E-01
DAV: 2 -0.503332626119E+03 -0.27034E-02 -0.46508E-02 1648 0.483E-01 0.251E-01
DAV: 3 -0.503331866213E+03 0.75991E-03 -0.25866E-03 1672 0.141E-01 0.142E-01
DAV: 4 -0.503331797271E+03 0.68942E-04 -0.16545E-03 1656 0.978E-02 0.438E-02
DAV: 5 -0.503331802137E+03 -0.48655E-05 -0.31945E-04 1584 0.442E-02 0.327E-02
DAV: 6 -0.503331808328E+03 -0.61909E-05 -0.11172E-04 1632 0.219E-02 0.142E-02
DAV: 7 -0.503331809267E+03 -0.93947E-06 -0.95524E-06 952 0.920E-03
22 F= -.50333181E+03 E0= -.50333983E+03 d E =-.223188E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503335616624E+03 -0.38083E-02 -0.13019E+00 1376 0.282E+00 0.302E-01
DAV: 2 -0.503337024628E+03 -0.14080E-02 -0.24352E-02 1648 0.349E-01 0.181E-01
DAV: 3 -0.503336629679E+03 0.39495E-03 -0.13469E-03 1664 0.101E-01 0.102E-01
DAV: 4 -0.503336594651E+03 0.35028E-04 -0.86512E-04 1664 0.700E-02 0.313E-02
DAV: 5 -0.503336596591E+03 -0.19403E-05 -0.15808E-04 1584 0.313E-02 0.232E-02
DAV: 6 -0.503336600379E+03 -0.37877E-05 -0.56328E-05 1544 0.155E-02
23 F= -.50333660E+03 E0= -.50334534E+03 d E =-.271099E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503352972690E+03 -0.16376E-01 -0.19838E+00 1400 0.330E+00 0.346E-01
DAV: 2 -0.503355295303E+03 -0.23226E-02 -0.36508E-02 1672 0.417E-01 0.224E-01
DAV: 3 -0.503354728445E+03 0.56686E-03 -0.22714E-03 1656 0.116E-01 0.120E-01
DAV: 4 -0.503354684871E+03 0.43575E-04 -0.11040E-03 1616 0.743E-02 0.347E-02
DAV: 5 -0.503354694887E+03 -0.10016E-04 -0.17481E-04 1560 0.310E-02 0.191E-02
DAV: 6 -0.503354696184E+03 -0.12969E-05 -0.37421E-05 1352 0.139E-02
24 F= -.50335470E+03 E0= -.50336380E+03 d E =-.180958E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503359618167E+03 -0.49233E-02 -0.20990E+00 1400 0.339E+00 0.355E-01
DAV: 2 -0.503362095390E+03 -0.24772E-02 -0.38808E-02 1664 0.429E-01 0.230E-01
DAV: 3 -0.503361502834E+03 0.59256E-03 -0.24063E-03 1656 0.120E-01 0.123E-01
DAV: 4 -0.503361453663E+03 0.49171E-04 -0.11683E-03 1632 0.767E-02 0.356E-02
DAV: 5 -0.503361464163E+03 -0.10499E-04 -0.19079E-04 1568 0.322E-02 0.196E-02
DAV: 6 -0.503361465289E+03 -0.11258E-05 -0.40319E-05 1400 0.143E-02
25 F= -.50336147E+03 E0= -.50337093E+03 d E =-.248649E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503379089433E+03 -0.17625E-01 -0.16305E+00 1376 0.305E+00 0.359E-01
DAV: 2 -0.503380706354E+03 -0.16169E-02 -0.27738E-02 1712 0.378E-01 0.227E-01
DAV: 3 -0.503380360694E+03 0.34566E-03 -0.21858E-03 1624 0.120E-01 0.111E-01
DAV: 4 -0.503380360330E+03 0.36417E-06 -0.78911E-04 1672 0.631E-02 0.375E-02
DAV: 5 -0.503380357770E+03 0.25594E-05 -0.10858E-04 1576 0.256E-02 0.191E-02
DAV: 6 -0.503380357523E+03 0.24705E-06 -0.36229E-05 1240 0.137E-02
26 F= -.50338036E+03 E0= -.50338953E+03 d E =-.188922E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503385140414E+03 -0.47826E-02 -0.14774E+00 1376 0.290E+00 0.341E-01
DAV: 2 -0.503386613106E+03 -0.14727E-02 -0.25171E-02 1712 0.360E-01 0.215E-01
DAV: 3 -0.503386295897E+03 0.31721E-03 -0.20100E-03 1640 0.114E-01 0.105E-01
DAV: 4 -0.503386294285E+03 0.16119E-05 -0.71221E-04 1664 0.604E-02 0.361E-02
DAV: 5 -0.503386292745E+03 0.15395E-05 -0.10030E-04 1568 0.246E-02 0.183E-02
DAV: 6 -0.503386292892E+03 -0.14675E-06 -0.31997E-05 1232 0.130E-02
27 F= -.50338629E+03 E0= -.50339518E+03 d E =-.248276E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503403645893E+03 -0.17353E-01 -0.22660E+00 1376 0.355E+00 0.395E-01
DAV: 2 -0.503406171389E+03 -0.25255E-02 -0.38832E-02 1680 0.431E-01 0.248E-01
DAV: 3 -0.503405543381E+03 0.62801E-03 -0.20211E-03 1640 0.132E-01 0.121E-01
DAV: 4 -0.503405587746E+03 -0.44365E-04 -0.14573E-03 1632 0.853E-02 0.394E-02
DAV: 5 -0.503405581685E+03 0.60606E-05 -0.18959E-04 1608 0.344E-02 0.274E-02
DAV: 6 -0.503405582083E+03 -0.39759E-06 -0.70992E-05 1552 0.186E-02
28 F= -.50340558E+03 E0= -.50341449E+03 d E =-.192892E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503411873803E+03 -0.62921E-02 -0.49549E+00 1376 0.525E+00 0.584E-01
DAV: 2 -0.503417456940E+03 -0.55831E-02 -0.85120E-02 1696 0.638E-01 0.366E-01
DAV: 3 -0.503416103244E+03 0.13537E-02 -0.43879E-03 1632 0.193E-01 0.181E-01
DAV: 4 -0.503416186434E+03 -0.83190E-04 -0.31001E-03 1632 0.125E-01 0.578E-02
DAV: 5 -0.503416177666E+03 0.87686E-05 -0.41868E-04 1608 0.510E-02 0.397E-02
DAV: 6 -0.503416177714E+03 -0.48600E-07 -0.14392E-04 1624 0.267E-02 0.177E-02
DAV: 7 -0.503416179571E+03 -0.18563E-05 -0.13867E-05 1000 0.103E-02
29 F= -.50341618E+03 E0= -.50342510E+03 d E =-.298867E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503431291421E+03 -0.15114E-01 -0.45052E+00 1400 0.493E+00 0.519E-01
DAV: 2 -0.503436248620E+03 -0.49572E-02 -0.76935E-02 1640 0.604E-01 0.336E-01
DAV: 3 -0.503434882779E+03 0.13658E-02 -0.41068E-03 1696 0.177E-01 0.171E-01
DAV: 4 -0.503434894396E+03 -0.11617E-04 -0.30875E-03 1600 0.124E-01 0.496E-02
DAV: 5 -0.503434891336E+03 0.30600E-05 -0.44441E-04 1608 0.505E-02 0.356E-02
DAV: 6 -0.503434892403E+03 -0.10668E-05 -0.14823E-04 1608 0.256E-02 0.158E-02
DAV: 7 -0.503434892782E+03 -0.37899E-06 -0.10429E-05 1024 0.893E-03
30 F= -.50343489E+03 E0= -.50344440E+03 d E =-.187132E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503435913807E+03 -0.10214E-02 -0.61048E-01 1400 0.182E+00 0.189E-01
DAV: 2 -0.503436574517E+03 -0.66071E-03 -0.10374E-02 1640 0.222E-01 0.124E-01
DAV: 3 -0.503436388606E+03 0.18591E-03 -0.56956E-04 1696 0.657E-02 0.610E-02
DAV: 4 -0.503436394486E+03 -0.58808E-05 -0.41141E-04 1600 0.451E-02 0.177E-02
DAV: 5 -0.503436393525E+03 0.96122E-06 -0.56323E-05 1280 0.182E-02
31 F= -.50343639E+03 E0= -.50344613E+03 d E =-.202140E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503452531366E+03 -0.16137E-01 -0.29056E+00 1376 0.413E+00 0.469E-01
DAV: 2 -0.503455269075E+03 -0.27377E-02 -0.46503E-02 1720 0.481E-01 0.283E-01
DAV: 3 -0.503454520066E+03 0.74901E-03 -0.27342E-03 1592 0.142E-01 0.143E-01
DAV: 4 -0.503454529785E+03 -0.97193E-05 -0.16979E-03 1680 0.894E-02 0.463E-02
DAV: 5 -0.503454513772E+03 0.16014E-04 -0.19233E-04 1624 0.367E-02 0.282E-02
DAV: 6 -0.503454514272E+03 -0.50059E-06 -0.11186E-04 1584 0.230E-02 0.125E-02
DAV: 7 -0.503454514173E+03 0.98786E-07 -0.11002E-05 1008 0.834E-03
32 F= -.50345451E+03 E0= -.50346436E+03 d E =-.181206E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503457955169E+03 -0.34409E-02 -0.16939E+00 1376 0.315E+00 0.357E-01
DAV: 2 -0.503459502050E+03 -0.15469E-02 -0.26904E-02 1696 0.367E-01 0.216E-01
DAV: 3 -0.503459068709E+03 0.43334E-03 -0.16042E-03 1592 0.108E-01 0.109E-01
DAV: 4 -0.503459071488E+03 -0.27786E-05 -0.94009E-04 1680 0.667E-02 0.344E-02
DAV: 5 -0.503459063856E+03 0.76317E-05 -0.10855E-04 1600 0.274E-02 0.210E-02
DAV: 6 -0.503459064447E+03 -0.59069E-06 -0.59516E-05 1504 0.169E-02
33 F= -.50345906E+03 E0= -.50346899E+03 d E =-.226709E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503472950542E+03 -0.13887E-01 -0.44046E+00 1376 0.494E+00 0.529E-01
DAV: 2 -0.503477517344E+03 -0.45668E-02 -0.74160E-02 1632 0.589E-01 0.334E-01
DAV: 3 -0.503476245979E+03 0.12714E-02 -0.41398E-03 1688 0.175E-01 0.174E-01
DAV: 4 -0.503476237586E+03 0.83926E-05 -0.28008E-03 1608 0.114E-01 0.532E-02
DAV: 5 -0.503476231861E+03 0.57254E-05 -0.36235E-04 1600 0.443E-02 0.315E-02
DAV: 6 -0.503476233036E+03 -0.11755E-05 -0.11715E-04 1600 0.234E-02 0.139E-02
DAV: 7 -0.503476232396E+03 0.63988E-06 -0.93824E-06 976 0.855E-03
34 F= -.50347623E+03 E0= -.50348521E+03 d E =-.171679E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503477361300E+03 -0.11283E-02 -0.75350E-01 1376 0.204E+00 0.216E-01
DAV: 2 -0.503478122512E+03 -0.76121E-03 -0.12611E-02 1640 0.243E-01 0.138E-01
DAV: 3 -0.503477903231E+03 0.21928E-03 -0.72649E-04 1672 0.727E-02 0.697E-02
DAV: 4 -0.503477905114E+03 -0.18831E-05 -0.46913E-04 1600 0.466E-02 0.214E-02
DAV: 5 -0.503477903861E+03 0.12539E-05 -0.59048E-05 1352 0.182E-02
35 F= -.50347790E+03 E0= -.50348646E+03 d E =-.188394E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503489936493E+03 -0.12031E-01 -0.38088E+00 1400 0.457E+00 0.483E-01
DAV: 2 -0.503493676805E+03 -0.37403E-02 -0.58270E-02 1656 0.532E-01 0.306E-01
DAV: 3 -0.503492682292E+03 0.99451E-03 -0.30370E-03 1696 0.153E-01 0.155E-01
DAV: 4 -0.503492697956E+03 -0.15664E-04 -0.22339E-03 1568 0.102E-01 0.455E-02
DAV: 5 -0.503492686848E+03 0.11107E-04 -0.29188E-04 1624 0.398E-02 0.286E-02
DAV: 6 -0.503492685049E+03 0.17998E-05 -0.99790E-05 1600 0.226E-02
36 F= -.50349269E+03 E0= -.50350040E+03 d E =-.147812E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503494015438E+03 -0.13286E-02 -0.13537E+00 1400 0.272E+00 0.285E-01
DAV: 2 -0.503495347844E+03 -0.13324E-02 -0.20541E-02 1664 0.315E-01 0.182E-01
DAV: 3 -0.503495006374E+03 0.34147E-03 -0.10834E-03 1696 0.905E-02 0.904E-02
DAV: 4 -0.503495016012E+03 -0.96377E-05 -0.75672E-04 1552 0.597E-02 0.264E-02
DAV: 5 -0.503495011995E+03 0.40168E-05 -0.98855E-05 1528 0.231E-02
37 F= -.50349501E+03 E0= -.50350221E+03 d E =-.171081E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503509146458E+03 -0.14130E-01 -0.34293E+00 1376 0.434E+00 0.487E-01
DAV: 2 -0.503512475138E+03 -0.33287E-02 -0.52403E-02 1680 0.502E-01 0.307E-01
DAV: 3 -0.503511664565E+03 0.81057E-03 -0.30304E-03 1600 0.147E-01 0.148E-01
DAV: 4 -0.503511690435E+03 -0.25870E-04 -0.17330E-03 1664 0.891E-02 0.449E-02
DAV: 5 -0.503511667982E+03 0.22454E-04 -0.19802E-04 1656 0.346E-02 0.276E-02
DAV: 6 -0.503511665786E+03 0.21955E-05 -0.10727E-04 1560 0.243E-02 0.116E-02
DAV: 7 -0.503511665749E+03 0.37187E-07 -0.16916E-05 1032 0.106E-02
38 F= -.50351167E+03 E0= -.50351889E+03 d E =-.166538E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503515607978E+03 -0.39422E-02 -0.33966E+00 1376 0.432E+00 0.485E-01
DAV: 2 -0.503518807388E+03 -0.31994E-02 -0.51503E-02 1680 0.497E-01 0.306E-01
DAV: 3 -0.503517990448E+03 0.81694E-03 -0.29041E-03 1592 0.144E-01 0.146E-01
DAV: 4 -0.503518005749E+03 -0.15301E-04 -0.16430E-03 1648 0.869E-02 0.433E-02
DAV: 5 -0.503517986274E+03 0.19475E-04 -0.19219E-04 1624 0.339E-02 0.271E-02
DAV: 6 -0.503517983466E+03 0.28086E-05 -0.96066E-05 1600 0.235E-02
39 F= -.50351798E+03 E0= -.50352523E+03 d E =-.229715E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503532930102E+03 -0.14944E-01 -0.33870E+00 1392 0.422E+00 0.442E-01
DAV: 2 -0.503535931390E+03 -0.30013E-02 -0.49604E-02 1624 0.482E-01 0.285E-01
DAV: 3 -0.503535032753E+03 0.89864E-03 -0.30806E-03 1648 0.139E-01 0.133E-01
DAV: 4 -0.503535054208E+03 -0.21455E-04 -0.15760E-03 1632 0.825E-02 0.396E-02
DAV: 5 -0.503535046078E+03 0.81295E-05 -0.18420E-04 1592 0.322E-02 0.222E-02
DAV: 6 -0.503535046863E+03 -0.78524E-06 -0.54273E-05 1488 0.169E-02
40 F= -.50353505E+03 E0= -.50354241E+03 d E =-.170634E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503524281320E+03 0.10765E-01 -0.28839E+01 1392 0.123E+01 0.136E+00
DAV: 2 -0.503551804647E+03 -0.27523E-01 -0.44636E-01 1624 0.144E+00 0.837E-01
DAV: 3 -0.503544503888E+03 0.73008E-02 -0.25823E-02 1656 0.398E-01 0.452E-01
DAV: 4 -0.503543984735E+03 0.51915E-03 -0.13467E-02 1648 0.248E-01 0.137E-01
DAV: 5 -0.503544049925E+03 -0.65190E-04 -0.18593E-03 1600 0.987E-02 0.633E-02
DAV: 6 -0.503544054038E+03 -0.41129E-05 -0.36117E-04 1704 0.466E-02 0.247E-02
DAV: 7 -0.503544055257E+03 -0.12192E-05 -0.73045E-05 1528 0.222E-02
41 F= -.50354406E+03 E0= -.50355170E+03 d E =-.260718E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503545734818E+03 -0.16808E-02 -0.37649E+00 1392 0.446E+00 0.463E-01
DAV: 2 -0.503549022965E+03 -0.32881E-02 -0.54626E-02 1624 0.508E-01 0.300E-01
DAV: 3 -0.503548013443E+03 0.10095E-02 -0.35057E-03 1656 0.148E-01 0.136E-01
DAV: 4 -0.503548044738E+03 -0.31295E-04 -0.16866E-03 1640 0.855E-02 0.405E-02
DAV: 5 -0.503548035206E+03 0.95320E-05 -0.19757E-04 1640 0.343E-02 0.224E-02
DAV: 6 -0.503548037918E+03 -0.27117E-05 -0.61410E-05 1544 0.169E-02
42 F= -.50354804E+03 E0= -.50355557E+03 d E =-.300545E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503559602813E+03 -0.11568E-01 -0.18599E+00 1392 0.314E+00 0.335E-01
DAV: 2 -0.503561104049E+03 -0.15012E-02 -0.24763E-02 1640 0.344E-01 0.214E-01
DAV: 3 -0.503560651485E+03 0.45256E-03 -0.15660E-03 1672 0.102E-01 0.899E-02
DAV: 4 -0.503560680159E+03 -0.28674E-04 -0.75243E-04 1648 0.569E-02 0.279E-02
DAV: 5 -0.503560670655E+03 0.95044E-05 -0.78441E-05 1512 0.218E-02
43 F= -.50356067E+03 E0= -.50356811E+03 d E =-.126327E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503573490567E+03 -0.12810E-01 -0.11178E+01 1392 0.769E+00 0.831E-01
DAV: 2 -0.503583100568E+03 -0.96100E-02 -0.15369E-01 1624 0.855E-01 0.525E-01
DAV: 3 -0.503580434020E+03 0.26665E-02 -0.92781E-03 1664 0.247E-01 0.237E-01
DAV: 4 -0.503580529567E+03 -0.95547E-04 -0.46243E-03 1640 0.143E-01 0.712E-02
DAV: 5 -0.503580485917E+03 0.43650E-04 -0.55683E-04 1624 0.569E-02 0.405E-02
DAV: 6 -0.503580489106E+03 -0.31888E-05 -0.20844E-04 1608 0.318E-02 0.144E-02
DAV: 7 -0.503580488589E+03 0.51682E-06 -0.20772E-05 1072 0.127E-02
44 F= -.50358049E+03 E0= -.50358771E+03 d E =-.324507E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503536122966E+03 0.44366E-01 -0.44204E+01 1392 0.153E+01 0.170E+00
DAV: 2 -0.503577594782E+03 -0.41472E-01 -0.65041E-01 1632 0.175E+00 0.105E+00
DAV: 3 -0.503567434436E+03 0.10160E-01 -0.36868E-02 1672 0.483E-01 0.548E-01
DAV: 4 -0.503566918329E+03 0.51611E-03 -0.18400E-02 1632 0.293E-01 0.158E-01
DAV: 5 -0.503566950300E+03 -0.31971E-04 -0.27618E-03 1608 0.122E-01 0.780E-02
DAV: 6 -0.503566962178E+03 -0.11878E-04 -0.64748E-04 1640 0.608E-02 0.310E-02
DAV: 7 -0.503566966203E+03 -0.40249E-05 -0.11637E-04 1536 0.282E-02 0.170E-02
DAV: 8 -0.503566970511E+03 -0.43081E-05 -0.40164E-05 1472 0.143E-02
45 F= -.50356697E+03 E0= -.50357375E+03 d E =-.189326E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503570985946E+03 -0.40197E-02 -0.21380E+01 1392 0.107E+01 0.115E+00
DAV: 2 -0.503589342473E+03 -0.18357E-01 -0.29355E-01 1616 0.118E+00 0.721E-01
DAV: 3 -0.503584203835E+03 0.51386E-02 -0.18842E-02 1672 0.342E-01 0.330E-01
DAV: 4 -0.503584318431E+03 -0.11460E-03 -0.79963E-03 1624 0.189E-01 0.100E-01
DAV: 5 -0.503584241810E+03 0.76622E-04 -0.10095E-03 1720 0.809E-02 0.511E-02
DAV: 6 -0.503584262368E+03 -0.20559E-04 -0.36642E-04 1568 0.412E-02 0.198E-02
DAV: 7 -0.503584256568E+03 0.58006E-05 -0.30045E-05 1256 0.142E-02
46 F= -.50358426E+03 E0= -.50359132E+03 d E =-.362186E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503603294817E+03 -0.19032E-01 -0.34261E+00 1384 0.425E+00 0.477E-01
DAV: 2 -0.503606151101E+03 -0.28563E-02 -0.45905E-02 1648 0.467E-01 0.307E-01
DAV: 3 -0.503605292767E+03 0.85833E-03 -0.28869E-03 1680 0.140E-01 0.120E-01
DAV: 4 -0.503605351414E+03 -0.58647E-04 -0.13395E-03 1632 0.763E-02 0.385E-02
DAV: 5 -0.503605327112E+03 0.24302E-04 -0.12951E-04 1640 0.296E-02 0.230E-02
DAV: 6 -0.503605327133E+03 -0.21762E-07 -0.84479E-05 1528 0.193E-02
47 F= -.50360533E+03 E0= -.50361221E+03 d E =-.210706E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503603620288E+03 0.17068E-02 -0.29777E+01 1384 0.125E+01 0.145E+00
DAV: 2 -0.503630089770E+03 -0.26469E-01 -0.41549E-01 1640 0.139E+00 0.910E-01
DAV: 3 -0.503622796249E+03 0.72935E-02 -0.22716E-02 1680 0.392E-01 0.409E-01
DAV: 4 -0.503622909912E+03 -0.11366E-03 -0.12279E-02 1640 0.232E-01 0.112E-01
DAV: 5 -0.503622759638E+03 0.15027E-03 -0.14127E-03 1672 0.928E-02 0.629E-02
DAV: 6 -0.503622775441E+03 -0.15804E-04 -0.65307E-04 1624 0.561E-02 0.252E-02
DAV: 7 -0.503622776596E+03 -0.11547E-05 -0.75361E-05 1504 0.234E-02
48 F= -.50362278E+03 E0= -.50362895E+03 d E =-.385200E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503623717478E+03 -0.94204E-03 -0.16806E+00 1384 0.297E+00 0.335E-01
DAV: 2 -0.503625082376E+03 -0.13649E-02 -0.22131E-02 1648 0.324E-01 0.215E-01
DAV: 3 -0.503624685239E+03 0.39714E-03 -0.13955E-03 1664 0.949E-02 0.805E-02
DAV: 4 -0.503624711584E+03 -0.26345E-04 -0.54418E-04 1624 0.490E-02 0.254E-02
DAV: 5 -0.503624703793E+03 0.77905E-05 -0.52698E-05 1504 0.196E-02
49 F= -.50362470E+03 E0= -.50363107E+03 d E =-.404472E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503645880444E+03 -0.21169E-01 -0.75921E+00 1384 0.619E+00 0.669E-01
DAV: 2 -0.503652387898E+03 -0.65075E-02 -0.10486E-01 1592 0.698E-01 0.435E-01
DAV: 3 -0.503650376147E+03 0.20118E-02 -0.67367E-03 1640 0.206E-01 0.184E-01
DAV: 4 -0.503650501523E+03 -0.12538E-03 -0.34107E-03 1656 0.118E-01 0.538E-02
DAV: 5 -0.503650461448E+03 0.40075E-04 -0.34946E-04 1600 0.448E-02 0.299E-02
DAV: 6 -0.503650462034E+03 -0.58648E-06 -0.13383E-04 1616 0.260E-02 0.110E-02
DAV: 7 -0.503650461607E+03 0.42684E-06 -0.14839E-05 1032 0.107E-02
50 F= -.50365046E+03 E0= -.50365679E+03 d E =-.257578E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503653251605E+03 -0.27896E-02 -0.11177E+01 1384 0.749E+00 0.820E-01
DAV: 2 -0.503663096252E+03 -0.98446E-02 -0.15711E-01 1600 0.852E-01 0.529E-01
DAV: 3 -0.503660183570E+03 0.29127E-02 -0.98312E-03 1648 0.247E-01 0.232E-01
DAV: 4 -0.503660319296E+03 -0.13573E-03 -0.50186E-03 1656 0.143E-01 0.666E-02
DAV: 5 -0.503660274150E+03 0.45147E-04 -0.53226E-04 1584 0.544E-02 0.374E-02
DAV: 6 -0.503660274566E+03 -0.41589E-06 -0.18166E-04 1640 0.322E-02 0.135E-02
DAV: 7 -0.503660275991E+03 -0.14257E-05 -0.30818E-05 1208 0.147E-02
51 F= -.50366028E+03 E0= -.50366657E+03 d E =-.355722E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503679892310E+03 -0.19618E-01 -0.73454E+00 1384 0.616E+00 0.699E-01
DAV: 2 -0.503686010039E+03 -0.61177E-02 -0.97634E-02 1656 0.687E-01 0.442E-01
DAV: 3 -0.503684292045E+03 0.17180E-02 -0.63282E-03 1624 0.206E-01 0.178E-01
DAV: 4 -0.503684408015E+03 -0.11597E-03 -0.26040E-03 1648 0.107E-01 0.553E-02
DAV: 5 -0.503684381471E+03 0.26543E-04 -0.24368E-04 1640 0.405E-02 0.342E-02
DAV: 6 -0.503684382029E+03 -0.55725E-06 -0.10974E-04 1592 0.263E-02 0.112E-02
DAV: 7 -0.503684384108E+03 -0.20794E-05 -0.22922E-05 1096 0.120E-02
52 F= -.50368438E+03 E0= -.50369082E+03 d E =-.241081E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503688545400E+03 -0.41634E-02 -0.88120E+00 1384 0.675E+00 0.762E-01
DAV: 2 -0.503695957181E+03 -0.74118E-02 -0.11789E-01 1656 0.755E-01 0.482E-01
DAV: 3 -0.503693924213E+03 0.20330E-02 -0.77618E-03 1632 0.228E-01 0.196E-01
DAV: 4 -0.503694050153E+03 -0.12594E-03 -0.30788E-03 1640 0.117E-01 0.625E-02
DAV: 5 -0.503694020123E+03 0.30030E-04 -0.29591E-04 1664 0.451E-02 0.379E-02
DAV: 6 -0.503694022909E+03 -0.27867E-05 -0.13759E-04 1592 0.289E-02 0.121E-02
DAV: 7 -0.503694025097E+03 -0.21882E-05 -0.25730E-05 1096 0.128E-02
53 F= -.50369403E+03 E0= -.50370061E+03 d E =-.337491E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503707617652E+03 -0.13595E-01 -0.12132E+00 1376 0.265E+00 0.308E-01
DAV: 2 -0.503708924189E+03 -0.13065E-02 -0.20864E-02 1704 0.320E-01 0.194E-01
DAV: 3 -0.503708570216E+03 0.35397E-03 -0.12944E-03 1656 0.940E-02 0.962E-02
DAV: 4 -0.503708570959E+03 -0.74316E-06 -0.61950E-04 1640 0.573E-02 0.303E-02
DAV: 5 -0.503708568827E+03 0.21321E-05 -0.99231E-05 1584 0.254E-02
54 F= -.50370857E+03 E0= -.50371537E+03 d E =-.145437E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503712505306E+03 -0.39343E-02 -0.97629E-01 1392 0.238E+00 0.277E-01
DAV: 2 -0.503713611061E+03 -0.11058E-02 -0.17101E-02 1704 0.289E-01 0.175E-01
DAV: 3 -0.503713329012E+03 0.28205E-03 -0.10259E-03 1656 0.844E-02 0.878E-02
DAV: 4 -0.503713330523E+03 -0.15108E-05 -0.51949E-04 1624 0.524E-02 0.276E-02
DAV: 5 -0.503713328031E+03 0.24920E-05 -0.83742E-05 1568 0.234E-02
55 F= -.50371333E+03 E0= -.50372029E+03 d E =-.193029E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503726312589E+03 -0.12982E-01 -0.21427E+00 1384 0.352E+00 0.364E-01
DAV: 2 -0.503728835610E+03 -0.25230E-02 -0.38106E-02 1688 0.429E-01 0.230E-01
DAV: 3 -0.503728235152E+03 0.60046E-03 -0.22466E-03 1624 0.119E-01 0.127E-01
DAV: 4 -0.503728188193E+03 0.46959E-04 -0.11356E-03 1632 0.767E-02 0.381E-02
DAV: 5 -0.503728192238E+03 -0.40452E-05 -0.18885E-04 1648 0.333E-02 0.206E-02
DAV: 6 -0.503728194691E+03 -0.24528E-05 -0.49868E-05 1456 0.152E-02
56 F= -.50372819E+03 E0= -.50373548E+03 d E =-.148667E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503730351212E+03 -0.21590E-02 -0.87754E-01 1392 0.225E+00 0.233E-01
DAV: 2 -0.503731387679E+03 -0.10365E-02 -0.15570E-02 1688 0.274E-01 0.147E-01
DAV: 3 -0.503731145401E+03 0.24228E-03 -0.90870E-04 1632 0.755E-02 0.806E-02
DAV: 4 -0.503731128436E+03 0.16965E-04 -0.45477E-04 1640 0.484E-02 0.239E-02
DAV: 5 -0.503731130903E+03 -0.24678E-05 -0.73631E-05 1368 0.210E-02
57 F= -.50373113E+03 E0= -.50373864E+03 d E =-.178029E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503742813644E+03 -0.11685E-01 -0.21815E+00 1376 0.363E+00 0.378E-01
DAV: 2 -0.503745233731E+03 -0.24201E-02 -0.36756E-02 1704 0.422E-01 0.233E-01
DAV: 3 -0.503744694707E+03 0.53902E-03 -0.21692E-03 1648 0.123E-01 0.131E-01
DAV: 4 -0.503744665628E+03 0.29080E-04 -0.11819E-03 1592 0.783E-02 0.421E-02
DAV: 5 -0.503744669012E+03 -0.33840E-05 -0.16535E-04 1648 0.326E-02 0.215E-02
DAV: 6 -0.503744672750E+03 -0.37385E-05 -0.55486E-05 1472 0.159E-02
58 F= -.50374467E+03 E0= -.50375230E+03 d E =-.135418E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503747008791E+03 -0.23398E-02 -0.12139E+00 1376 0.271E+00 0.282E-01
DAV: 2 -0.503748356715E+03 -0.13479E-02 -0.20449E-02 1696 0.315E-01 0.173E-01
DAV: 3 -0.503748060997E+03 0.29572E-03 -0.11972E-03 1656 0.915E-02 0.975E-02
DAV: 4 -0.503748044892E+03 0.16105E-04 -0.65992E-04 1584 0.587E-02 0.312E-02
DAV: 5 -0.503748047211E+03 -0.23190E-05 -0.93685E-05 1584 0.245E-02
59 F= -.50374805E+03 E0= -.50375578E+03 d E =-.169163E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503756359660E+03 -0.83148E-02 -0.20106E+00 1376 0.353E+00 0.356E-01
DAV: 2 -0.503758750077E+03 -0.23904E-02 -0.36037E-02 1696 0.414E-01 0.218E-01
DAV: 3 -0.503758203547E+03 0.54653E-03 -0.18381E-03 1664 0.118E-01 0.124E-01
DAV: 4 -0.503758173209E+03 0.30338E-04 -0.11018E-03 1672 0.789E-02 0.413E-02
DAV: 5 -0.503758177780E+03 -0.45712E-05 -0.21023E-04 1624 0.373E-02 0.237E-02
DAV: 6 -0.503758181228E+03 -0.34480E-05 -0.49020E-05 1504 0.150E-02
60 F= -.50375818E+03 E0= -.50376583E+03 d E =-.101340E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503758566723E+03 -0.38894E-03 -0.14035E-01 1384 0.933E-01 0.948E-02
DAV: 2 -0.503758739297E+03 -0.17257E-03 -0.25192E-03 1696 0.109E-01 0.577E-02
DAV: 3 -0.503758703504E+03 0.35793E-04 -0.12558E-04 1656 0.311E-02 0.333E-02
DAV: 4 -0.503758702925E+03 0.57913E-06 -0.75226E-05 1568 0.210E-02
61 F= -.50375870E+03 E0= -.50376630E+03 d E =-.106557E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503764614870E+03 -0.59114E-02 -0.19965E+00 1384 0.350E+00 0.357E-01
DAV: 2 -0.503766863528E+03 -0.22487E-02 -0.35969E-02 1696 0.419E-01 0.216E-01
DAV: 3 -0.503766315013E+03 0.54851E-03 -0.19825E-03 1624 0.118E-01 0.124E-01
DAV: 4 -0.503766265770E+03 0.49244E-04 -0.10735E-03 1704 0.785E-02 0.418E-02
DAV: 5 -0.503766276840E+03 -0.11070E-04 -0.19943E-04 1584 0.362E-02 0.229E-02
DAV: 6 -0.503766279451E+03 -0.26108E-05 -0.41084E-05 1312 0.142E-02
62 F= -.50376628E+03 E0= -.50377388E+03 d E =-.757653E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503766339118E+03 -0.62278E-04 -0.19935E-02 1408 0.350E-01 0.363E-02
DAV: 2 -0.503766366385E+03 -0.27267E-04 -0.37102E-04 1696 0.423E-02 0.216E-02
DAV: 3 -0.503766361643E+03 0.47418E-05 -0.17123E-05 1040 0.117E-02
63 F= -.50376636E+03 E0= -.50377400E+03 d E =-.765872E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503770496643E+03 -0.41303E-02 -0.83403E-01 1376 0.225E+00 0.225E-01
DAV: 2 -0.503771614581E+03 -0.11179E-02 -0.16639E-02 1688 0.284E-01 0.146E-01
DAV: 3 -0.503771407315E+03 0.20727E-03 -0.10072E-03 1616 0.800E-02 0.838E-02
DAV: 4 -0.503771385474E+03 0.21842E-04 -0.50519E-04 1664 0.509E-02 0.275E-02
DAV: 5 -0.503771387376E+03 -0.19020E-05 -0.66544E-05 1408 0.214E-02
64 F= -.50377139E+03 E0= -.50377900E+03 d E =-.502573E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503771626038E+03 -0.24056E-03 -0.73660E-02 1392 0.670E-01 0.671E-02
DAV: 2 -0.503771739177E+03 -0.11314E-03 -0.15290E-03 1696 0.857E-02 0.433E-02
DAV: 3 -0.503771721582E+03 0.17595E-04 -0.85685E-05 1600 0.238E-02 0.256E-02
DAV: 4 -0.503771720378E+03 0.12042E-05 -0.50203E-05 1440 0.161E-02
65 F= -.50377172E+03 E0= -.50377932E+03 d E =-.535873E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503775892315E+03 -0.41707E-02 -0.80057E-01 1376 0.222E+00 0.231E-01
DAV: 2 -0.503776841347E+03 -0.94903E-03 -0.14294E-02 1632 0.267E-01 0.142E-01
DAV: 3 -0.503776653199E+03 0.18815E-03 -0.81041E-04 1736 0.790E-02 0.785E-02
DAV: 4 -0.503776647796E+03 0.54035E-05 -0.49871E-04 1624 0.522E-02 0.255E-02
DAV: 5 -0.503776647955E+03 -0.15907E-06 -0.68428E-05 1472 0.219E-02
66 F= -.50377665E+03 E0= -.50378437E+03 d E =-.492758E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503777155663E+03 -0.50787E-03 -0.17530E-01 1376 0.104E+00 0.108E-01
DAV: 2 -0.503777383046E+03 -0.22738E-03 -0.31987E-03 1656 0.126E-01 0.660E-02
DAV: 3 -0.503777341610E+03 0.41437E-04 -0.16753E-04 1744 0.369E-02 0.369E-02
DAV: 4 -0.503777342536E+03 -0.92605E-06 -0.11647E-04 1544 0.252E-02 0.123E-02
DAV: 5 -0.503777343248E+03 -0.71187E-06 -0.14686E-05 1064 0.104E-02
67 F= -.50377734E+03 E0= -.50378514E+03 d E =-.562287E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503780040158E+03 -0.26976E-02 -0.11584E+00 1376 0.265E+00 0.272E-01
DAV: 2 -0.503781242269E+03 -0.12021E-02 -0.20941E-02 1616 0.325E-01 0.168E-01
DAV: 3 -0.503780904338E+03 0.33793E-03 -0.12535E-03 1728 0.957E-02 0.901E-02
DAV: 4 -0.503780885147E+03 0.19191E-04 -0.69894E-04 1632 0.615E-02 0.272E-02
DAV: 5 -0.503780887407E+03 -0.22608E-05 -0.11019E-04 1536 0.257E-02 0.187E-02
DAV: 6 -0.503780889916E+03 -0.25088E-05 -0.30534E-05 1160 0.127E-02
68 F= -.50378089E+03 E0= -.50378877E+03 d E =-.354667E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503780901419E+03 -0.14012E-04 -0.43066E-03 1440 0.162E-01 0.162E-02
DAV: 2 -0.503780905550E+03 -0.41307E-05 -0.73391E-05 1624 0.194E-02
69 F= -.50378091E+03 E0= -.50378876E+03 d E =-.356230E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503783354238E+03 -0.24528E-02 -0.10628E+00 1376 0.253E+00 0.256E-01
DAV: 2 -0.503784372100E+03 -0.10179E-02 -0.17895E-02 1656 0.299E-01 0.157E-01
DAV: 3 -0.503784091995E+03 0.28010E-03 -0.11213E-03 1712 0.855E-02 0.830E-02
DAV: 4 -0.503784074911E+03 0.17084E-04 -0.53077E-04 1632 0.516E-02 0.255E-02
DAV: 5 -0.503784074469E+03 0.44223E-06 -0.72573E-05 1376 0.216E-02
70 F= -.50378407E+03 E0= -.50379189E+03 d E =-.316892E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503784086746E+03 -0.11835E-04 -0.27614E-03 1496 0.130E-01 0.152E-02
DAV: 2 -0.503784092579E+03 -0.58331E-05 -0.59960E-05 1496 0.174E-02
71 F= -.50378409E+03 E0= -.50379195E+03 d E =-.318703E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503786333762E+03 -0.22470E-02 -0.57400E-01 1376 0.186E+00 0.193E-01
DAV: 2 -0.503786877278E+03 -0.54352E-03 -0.95255E-03 1704 0.216E-01 0.119E-01
DAV: 3 -0.503786743666E+03 0.13361E-03 -0.58832E-04 1672 0.591E-02 0.634E-02
DAV: 4 -0.503786730328E+03 0.13337E-04 -0.22656E-04 1632 0.350E-02 0.171E-02
DAV: 5 -0.503786732304E+03 -0.19755E-05 -0.45142E-05 1224 0.160E-02
72 F= -.50378673E+03 E0= -.50379458E+03 d E =-.263972E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503786829375E+03 -0.99046E-04 -0.29229E-02 1392 0.420E-01 0.440E-02
DAV: 2 -0.503786862049E+03 -0.32675E-04 -0.50838E-04 1712 0.497E-02 0.267E-02
DAV: 3 -0.503786855713E+03 0.63364E-05 -0.26490E-05 1232 0.133E-02
73 F= -.50378686E+03 E0= -.50379473E+03 d E =-.276313E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503788102891E+03 -0.12408E-02 -0.46656E-01 1376 0.167E+00 0.174E-01
DAV: 2 -0.503788600923E+03 -0.49803E-03 -0.84032E-03 1688 0.202E-01 0.111E-01
DAV: 3 -0.503788476362E+03 0.12456E-03 -0.53569E-04 1648 0.566E-02 0.585E-02
DAV: 4 -0.503788468928E+03 0.74345E-05 -0.20385E-04 1640 0.324E-02 0.159E-02
DAV: 5 -0.503788469899E+03 -0.97179E-06 -0.36011E-05 1176 0.146E-02
74 F= -.50378847E+03 E0= -.50379643E+03 d E =-.161419E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503788479691E+03 -0.10763E-04 -0.35007E-03 1384 0.144E-01 0.148E-02
DAV: 2 -0.503788482003E+03 -0.23121E-05 -0.60119E-05 1528 0.173E-02
75 F= -.50378848E+03 E0= -.50379645E+03 d E =-.162629E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503789758088E+03 -0.12784E-02 -0.35960E-01 1376 0.147E+00 0.151E-01
DAV: 2 -0.503790141740E+03 -0.38365E-03 -0.60749E-03 1688 0.174E-01 0.938E-02
DAV: 3 -0.503790061361E+03 0.80379E-04 -0.40430E-04 1696 0.494E-02 0.484E-02
DAV: 4 -0.503790057237E+03 0.41238E-05 -0.13149E-04 1632 0.269E-02 0.147E-02
DAV: 5 -0.503790057394E+03 -0.15682E-06 -0.24389E-05 1096 0.124E-02
76 F= -.50379006E+03 E0= -.50379810E+03 d E =-.157539E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503790092199E+03 -0.34962E-04 -0.12104E-02 1420 0.270E-01 0.290E-02
DAV: 2 -0.503790107137E+03 -0.14938E-04 -0.21285E-04 1704 0.326E-02 0.177E-02
DAV: 3 -0.503790104603E+03 0.25336E-05 -0.12571E-05 932 0.953E-03
77 F= -.50379010E+03 E0= -.50379818E+03 d E =-.162260E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503791414495E+03 -0.13074E-02 -0.28745E-01 1376 0.132E+00 0.141E-01
DAV: 2 -0.503791717668E+03 -0.30317E-03 -0.48867E-03 1688 0.154E-01 0.874E-02
DAV: 3 -0.503791641001E+03 0.76667E-04 -0.27541E-04 1664 0.430E-02 0.437E-02
DAV: 4 -0.503791639355E+03 0.16461E-05 -0.13031E-04 1600 0.283E-02 0.119E-02
DAV: 5 -0.503791639559E+03 -0.20404E-06 -0.29421E-05 1048 0.135E-02
78 F= -.50379164E+03 E0= -.50379968E+03 d E =-.153496E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503791755588E+03 -0.11623E-03 -0.45982E-02 1384 0.528E-01 0.572E-02
DAV: 2 -0.503791810054E+03 -0.54466E-04 -0.81251E-04 1696 0.623E-02 0.351E-02
DAV: 3 -0.503791798108E+03 0.11946E-04 -0.39914E-05 1424 0.170E-02 0.178E-02
DAV: 4 -0.503791797882E+03 0.22582E-06 -0.22214E-05 1064 0.124E-02
79 F= -.50379180E+03 E0= -.50379986E+03 d E =-.169328E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503792946635E+03 -0.11485E-02 -0.16893E-01 1376 0.101E+00 0.112E-01
DAV: 2 -0.503793111221E+03 -0.16459E-03 -0.26877E-03 1688 0.114E-01 0.702E-02
DAV: 3 -0.503793071978E+03 0.39242E-04 -0.17851E-04 1672 0.346E-02 0.333E-02
DAV: 4 -0.503793072788E+03 -0.80962E-06 -0.65706E-05 1504 0.207E-02
80 F= -.50379307E+03 E0= -.50380113E+03 d E =-.127491E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503793270157E+03 -0.19818E-03 -0.64894E-02 1376 0.626E-01 0.705E-02
DAV: 2 -0.503793339896E+03 -0.69739E-04 -0.10534E-03 1712 0.711E-02 0.438E-02
DAV: 3 -0.503793325427E+03 0.14469E-04 -0.63312E-05 1608 0.209E-02 0.209E-02
DAV: 4 -0.503793325791E+03 -0.36373E-06 -0.23983E-05 1120 0.133E-02
81 F= -.50379333E+03 E0= -.50380134E+03 d E =-.152791E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503794495100E+03 -0.11697E-02 -0.17845E-01 1376 0.102E+00 0.118E-01
DAV: 2 -0.503794675246E+03 -0.18015E-03 -0.28482E-03 1672 0.120E-01 0.743E-02
DAV: 3 -0.503794636522E+03 0.38724E-04 -0.27608E-04 1656 0.406E-02 0.338E-02
DAV: 4 -0.503794639672E+03 -0.31500E-05 -0.79313E-05 1520 0.211E-02
82 F= -.50379464E+03 E0= -.50380273E+03 d E =-.131388E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503794883696E+03 -0.24717E-03 -0.50674E-02 1376 0.543E-01 0.639E-02
DAV: 2 -0.503794941767E+03 -0.58071E-04 -0.84049E-04 1672 0.649E-02 0.402E-02
DAV: 3 -0.503794931045E+03 0.10723E-04 -0.73162E-05 1592 0.214E-02 0.187E-02
DAV: 4 -0.503794932204E+03 -0.11595E-05 -0.23617E-05 1112 0.120E-02
83 F= -.50379493E+03 E0= -.50380304E+03 d E =-.160641E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503794493434E+03 0.43761E-03 -0.20201E-01 1376 0.108E+00 0.125E-01
DAV: 2 -0.503794702960E+03 -0.20953E-03 -0.32478E-03 1680 0.128E-01 0.789E-02
DAV: 3 -0.503794658360E+03 0.44600E-04 -0.30658E-04 1656 0.429E-02 0.361E-02
DAV: 4 -0.503794662090E+03 -0.37300E-05 -0.91418E-05 1544 0.228E-02
84 F= -.50379466E+03 E0= -.50380288E+03 d E =-.133630E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503794892468E+03 -0.23411E-03 -0.11834E-01 1376 0.829E-01 0.941E-02
DAV: 2 -0.503794996925E+03 -0.10446E-03 -0.18425E-03 1648 0.973E-02 0.594E-02
DAV: 3 -0.503794970668E+03 0.26257E-04 -0.19645E-04 1656 0.338E-02 0.268E-02
DAV: 4 -0.503794973120E+03 -0.24512E-05 -0.51709E-05 1328 0.168E-02
85 F= -.50379497E+03 E0= -.50380303E+03 d E =-.164733E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503796017801E+03 -0.10471E-02 -0.21160E-01 1376 0.111E+00 0.125E-01
DAV: 2 -0.503796220733E+03 -0.20293E-03 -0.33472E-03 1680 0.126E-01 0.779E-02
DAV: 3 -0.503796170506E+03 0.50227E-04 -0.20838E-04 1640 0.365E-02 0.362E-02
DAV: 4 -0.503796171811E+03 -0.13052E-05 -0.78873E-05 1504 0.209E-02
86 F= -.50379617E+03 E0= -.50380446E+03 d E =-.119869E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503796340750E+03 -0.17024E-03 -0.69082E-02 1376 0.637E-01 0.740E-02
DAV: 2 -0.503796415088E+03 -0.74338E-04 -0.11201E-03 1688 0.730E-02 0.455E-02
DAV: 3 -0.503796400842E+03 0.14246E-04 -0.66541E-05 1584 0.208E-02 0.216E-02
DAV: 4 -0.503796401574E+03 -0.73212E-06 -0.24332E-05 1040 0.122E-02
87 F= -.50379640E+03 E0= -.50380475E+03 d E =-.142845E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503797388394E+03 -0.98755E-03 -0.17339E-01 1376 0.101E+00 0.115E-01
DAV: 2 -0.503797547345E+03 -0.15895E-03 -0.26021E-03 1680 0.112E-01 0.707E-02
DAV: 3 -0.503797508306E+03 0.39039E-04 -0.14949E-04 1624 0.319E-02 0.328E-02
DAV: 4 -0.503797510539E+03 -0.22324E-05 -0.65519E-05 1472 0.186E-02
88 F= -.50379751E+03 E0= -.50380588E+03 d E =-.110896E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503797666056E+03 -0.15775E-03 -0.57009E-02 1376 0.581E-01 0.669E-02
DAV: 2 -0.503797723217E+03 -0.57162E-04 -0.87834E-04 1688 0.652E-02 0.409E-02
DAV: 3 -0.503797711496E+03 0.11722E-04 -0.47347E-05 1504 0.181E-02 0.193E-02
DAV: 4 -0.503797712293E+03 -0.79722E-06 -0.20507E-05 1064 0.109E-02
89 F= -.50379771E+03 E0= -.50380607E+03 d E =-.131072E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503798666369E+03 -0.95487E-03 -0.15990E-01 1376 0.958E-01 0.110E-01
DAV: 2 -0.503798803939E+03 -0.13757E-03 -0.22848E-03 1672 0.106E-01 0.677E-02
DAV: 3 -0.503798771860E+03 0.32079E-04 -0.17776E-04 1648 0.330E-02 0.278E-02
DAV: 4 -0.503798774170E+03 -0.23097E-05 -0.47223E-05 1296 0.154E-02
90 F= -.50379877E+03 E0= -.50380701E+03 d E =-.106188E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503799125815E+03 -0.35395E-03 -0.27019E-01 1376 0.125E+00 0.142E-01
DAV: 2 -0.503799366640E+03 -0.24083E-03 -0.38866E-03 1672 0.138E-01 0.878E-02
DAV: 3 -0.503799312622E+03 0.54018E-04 -0.29582E-04 1656 0.427E-02 0.365E-02
DAV: 4 -0.503799317016E+03 -0.43941E-05 -0.83046E-05 1528 0.203E-02
91 F= -.50379932E+03 E0= -.50380741E+03 d E =-.160472E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503800219410E+03 -0.90679E-03 -0.16343E-01 1376 0.967E-01 0.114E-01
DAV: 2 -0.503800354878E+03 -0.13547E-03 -0.22134E-03 1680 0.103E-01 0.708E-02
DAV: 3 -0.503800327991E+03 0.26888E-04 -0.15496E-04 1664 0.314E-02 0.275E-02
DAV: 4 -0.503800330557E+03 -0.25661E-05 -0.44210E-05 1256 0.147E-02
92 F= -.50380033E+03 E0= -.50380840E+03 d E =-.101354E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503800627145E+03 -0.29915E-03 -0.28884E-01 1376 0.129E+00 0.151E-01
DAV: 2 -0.503800869507E+03 -0.24236E-03 -0.39108E-03 1688 0.137E-01 0.934E-02
DAV: 3 -0.503800821074E+03 0.48433E-04 -0.27256E-04 1664 0.416E-02 0.367E-02
DAV: 4 -0.503800825676E+03 -0.46021E-05 -0.81333E-05 1504 0.196E-02
93 F= -.50380083E+03 E0= -.50380889E+03 d E =-.150866E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503801559568E+03 -0.73849E-03 -0.20463E-01 1376 0.107E+00 0.121E-01
DAV: 2 -0.503801762496E+03 -0.20293E-03 -0.29868E-03 1664 0.119E-01 0.768E-02
DAV: 3 -0.503801722689E+03 0.39807E-04 -0.19435E-04 1672 0.369E-02 0.308E-02
DAV: 4 -0.503801728053E+03 -0.53636E-05 -0.75459E-05 1448 0.191E-02
94 F= -.50380173E+03 E0= -.50380989E+03 d E =-.902377E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503801849860E+03 -0.12717E-03 -0.36593E-02 1384 0.453E-01 0.521E-02
DAV: 2 -0.503801890871E+03 -0.41011E-04 -0.55732E-04 1664 0.512E-02 0.326E-02
DAV: 3 -0.503801884916E+03 0.59547E-05 -0.29763E-05 1272 0.151E-02
95 F= -.50380188E+03 E0= -.50381011E+03 d E =-.105924E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503801691372E+03 0.19950E-03 -0.14474E-01 1376 0.902E-01 0.102E-01
DAV: 2 -0.503801828383E+03 -0.13701E-03 -0.20446E-03 1656 0.988E-02 0.643E-02
DAV: 3 -0.503801801790E+03 0.26593E-04 -0.13174E-04 1664 0.300E-02 0.252E-02
DAV: 4 -0.503801805150E+03 -0.33594E-05 -0.47444E-05 1216 0.152E-02
96 F= -.50380181E+03 E0= -.50381010E+03 d E =-.979474E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503801876291E+03 -0.74501E-04 -0.67540E-02 1376 0.615E-01 0.681E-02
DAV: 2 -0.503801931756E+03 -0.55466E-04 -0.95036E-04 1664 0.679E-02 0.438E-02
DAV: 3 -0.503801916957E+03 0.14800E-04 -0.73975E-05 1568 0.224E-02 0.167E-02
DAV: 4 -0.503801918971E+03 -0.20141E-05 -0.24039E-05 1136 0.110E-02
97 F= -.50380192E+03 E0= -.50381015E+03 d E =-.109329E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503802581636E+03 -0.66468E-03 -0.11666E-01 1376 0.812E-01 0.920E-02
DAV: 2 -0.503802674944E+03 -0.93308E-04 -0.16059E-03 1648 0.905E-02 0.574E-02
DAV: 3 -0.503802650776E+03 0.24168E-04 -0.13772E-04 1656 0.298E-02 0.231E-02
DAV: 4 -0.503802652090E+03 -0.13144E-05 -0.35108E-05 1176 0.139E-02
98 F= -.50380265E+03 E0= -.50381092E+03 d E =-.733119E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503802849980E+03 -0.19920E-03 -0.11175E-01 1376 0.795E-01 0.916E-02
DAV: 2 -0.503802950367E+03 -0.10039E-03 -0.15724E-03 1664 0.887E-02 0.566E-02
DAV: 3 -0.503802929001E+03 0.21366E-04 -0.11972E-04 1664 0.284E-02 0.230E-02
DAV: 4 -0.503802930774E+03 -0.17726E-05 -0.35686E-05 1192 0.140E-02
99 F= -.50380293E+03 E0= -.50381125E+03 d E =-.101180E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503803562429E+03 -0.63343E-03 -0.99981E-02 1376 0.750E-01 0.887E-02
DAV: 2 -0.503803648384E+03 -0.85955E-04 -0.14079E-03 1664 0.821E-02 0.548E-02
DAV: 3 -0.503803630773E+03 0.17610E-04 -0.89829E-05 1656 0.240E-02 0.237E-02
DAV: 4 -0.503803631038E+03 -0.26479E-06 -0.27637E-05 1192 0.147E-02
100 F= -.50380363E+03 E0= -.50381174E+03 d E =-.700264E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503803808075E+03 -0.17730E-03 -0.11806E-01 1376 0.815E-01 0.962E-02
DAV: 2 -0.503803911083E+03 -0.10301E-03 -0.16561E-03 1656 0.892E-02 0.592E-02
DAV: 3 -0.503803891845E+03 0.19238E-04 -0.10617E-04 1664 0.259E-02 0.258E-02
DAV: 4 -0.503803892135E+03 -0.29020E-06 -0.30538E-05 1224 0.156E-02
101 F= -.50380389E+03 E0= -.50381180E+03 d E =-.961361E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503804348453E+03 -0.45661E-03 -0.87625E-02 1376 0.696E-01 0.757E-02
DAV: 2 -0.503804432541E+03 -0.84088E-04 -0.12751E-03 1680 0.777E-02 0.477E-02
DAV: 3 -0.503804415804E+03 0.16737E-04 -0.82315E-05 1592 0.232E-02 0.209E-02
DAV: 4 -0.503804417052E+03 -0.12483E-05 -0.30816E-05 1192 0.139E-02
102 F= -.50380442E+03 E0= -.50381221E+03 d E =-.524917E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503804566043E+03 -0.15024E-03 -0.16396E-01 1376 0.952E-01 0.104E-01
DAV: 2 -0.503804724978E+03 -0.15894E-03 -0.23893E-03 1680 0.106E-01 0.652E-02
DAV: 3 -0.503804693678E+03 0.31300E-04 -0.15023E-04 1632 0.312E-02 0.287E-02
DAV: 4 -0.503804695842E+03 -0.21639E-05 -0.56167E-05 1424 0.187E-02
103 F= -.50380470E+03 E0= -.50381230E+03 d E =-.803706E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503805151768E+03 -0.45809E-03 -0.73170E-02 1376 0.658E-01 0.744E-02
DAV: 2 -0.503805220130E+03 -0.68362E-04 -0.10871E-03 1672 0.731E-02 0.459E-02
DAV: 3 -0.503805202549E+03 0.17581E-04 -0.64565E-05 1624 0.239E-02 0.203E-02
DAV: 4 -0.503805204536E+03 -0.19869E-05 -0.38960E-05 1224 0.139E-02
104 F= -.50380520E+03 E0= -.50381288E+03 d E =-.508695E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503805319408E+03 -0.11686E-03 -0.57092E-02 1376 0.581E-01 0.657E-02
DAV: 2 -0.503805375444E+03 -0.56036E-04 -0.85476E-04 1664 0.647E-02 0.401E-02
DAV: 3 -0.503805362262E+03 0.13182E-04 -0.48762E-05 1560 0.206E-02 0.181E-02
DAV: 4 -0.503805363702E+03 -0.14400E-05 -0.29996E-05 1160 0.123E-02
105 F= -.50380536E+03 E0= -.50381308E+03 d E =-.667860E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503805706985E+03 -0.34472E-03 -0.46136E-02 1376 0.520E-01 0.585E-02
DAV: 2 -0.503805753717E+03 -0.46733E-04 -0.70728E-04 1672 0.595E-02 0.367E-02
DAV: 3 -0.503805743985E+03 0.97326E-05 -0.44251E-05 1472 0.183E-02
106 F= -.50380574E+03 E0= -.50381356E+03 d E =-.380283E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503805845894E+03 -0.92176E-04 -0.63536E-02 1376 0.611E-01 0.696E-02
DAV: 2 -0.503805907817E+03 -0.61923E-04 -0.92839E-04 1672 0.681E-02 0.432E-02
DAV: 3 -0.503805895186E+03 0.12630E-04 -0.54709E-05 1552 0.204E-02 0.184E-02
DAV: 4 -0.503805896353E+03 -0.11670E-05 -0.25327E-05 1072 0.118E-02
107 F= -.50380590E+03 E0= -.50381373E+03 d E =-.532652E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503806175774E+03 -0.28059E-03 -0.35601E-02 1376 0.448E-01 0.496E-02
DAV: 2 -0.503806211364E+03 -0.35589E-04 -0.50579E-04 1664 0.504E-02 0.317E-02
DAV: 3 -0.503806205046E+03 0.63174E-05 -0.34507E-05 1296 0.149E-02
108 F= -.50380621E+03 E0= -.50381403E+03 d E =-.308693E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503806348195E+03 -0.13683E-03 -0.12817E-01 1376 0.850E-01 0.939E-02
DAV: 2 -0.503806468751E+03 -0.12056E-03 -0.17581E-03 1672 0.938E-02 0.599E-02
DAV: 3 -0.503806445027E+03 0.23724E-04 -0.12160E-04 1648 0.277E-02 0.235E-02
DAV: 4 -0.503806447303E+03 -0.22759E-05 -0.37946E-05 1216 0.138E-02
109 F= -.50380645E+03 E0= -.50381418E+03 d E =-.550949E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503806812394E+03 -0.36737E-03 -0.64364E-02 1376 0.611E-01 0.688E-02
DAV: 2 -0.503806878987E+03 -0.66593E-04 -0.96570E-04 1688 0.687E-02 0.432E-02
DAV: 3 -0.503806866044E+03 0.12943E-04 -0.57278E-05 1544 0.194E-02 0.189E-02
DAV: 4 -0.503806866763E+03 -0.71878E-06 -0.20709E-05 1080 0.104E-02
110 F= -.50380687E+03 E0= -.50381452E+03 d E =-.419460E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503806964903E+03 -0.98859E-04 -0.70437E-02 1376 0.639E-01 0.716E-02
DAV: 2 -0.503807039617E+03 -0.74714E-04 -0.10692E-03 1688 0.723E-02 0.448E-02
DAV: 3 -0.503807025442E+03 0.14176E-04 -0.61328E-05 1584 0.202E-02 0.201E-02
DAV: 4 -0.503807026083E+03 -0.64187E-06 -0.23590E-05 1096 0.110E-02
111 F= -.50380703E+03 E0= -.50381458E+03 d E =-.578781E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503807294889E+03 -0.26945E-03 -0.61396E-02 1376 0.607E-01 0.623E-02
DAV: 2 -0.503807362856E+03 -0.67968E-04 -0.99145E-04 1664 0.700E-02 0.388E-02
DAV: 3 -0.503807348207E+03 0.14650E-04 -0.56100E-05 1528 0.194E-02 0.195E-02
DAV: 4 -0.503807347943E+03 0.26375E-06 -0.26602E-05 1128 0.121E-02
112 F= -.50380735E+03 E0= -.50381496E+03 d E =-.321860E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503807405625E+03 -0.57418E-04 -0.35643E-02 1376 0.462E-01 0.480E-02
DAV: 2 -0.503807446500E+03 -0.40875E-04 -0.58017E-04 1672 0.535E-02 0.297E-02
DAV: 3 -0.503807438147E+03 0.83529E-05 -0.29815E-05 1256 0.146E-02
113 F= -.50380744E+03 E0= -.50381505E+03 d E =-.412064E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503807672194E+03 -0.22569E-03 -0.53973E-02 1376 0.582E-01 0.614E-02
DAV: 2 -0.503807727931E+03 -0.55737E-04 -0.85110E-04 1696 0.653E-02 0.383E-02
DAV: 3 -0.503807715431E+03 0.12500E-04 -0.50547E-05 1536 0.180E-02 0.193E-02
DAV: 4 -0.503807714624E+03 0.80654E-06 -0.18601E-05 1016 0.105E-02
114 F= -.50380771E+03 E0= -.50381547E+03 d E =-.276477E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503807724815E+03 -0.93838E-05 -0.33150E-03 1392 0.144E-01 0.156E-02
DAV: 2 -0.503807728833E+03 -0.40188E-05 -0.54865E-05 1456 0.167E-02
115 F= -.50380773E+03 E0= -.50381550E+03 d E =-.290686E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503807920270E+03 -0.19546E-03 -0.48462E-02 1376 0.541E-01 0.576E-02
DAV: 2 -0.503807969244E+03 -0.48974E-04 -0.80393E-04 1688 0.638E-02 0.364E-02
DAV: 3 -0.503807958322E+03 0.10921E-04 -0.60535E-05 1600 0.190E-02 0.186E-02
DAV: 4 -0.503807957611E+03 0.71163E-06 -0.16449E-05 1048 0.104E-02
116 F= -.50380796E+03 E0= -.50381580E+03 d E =-.228777E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503807979741E+03 -0.21419E-04 -0.16763E-02 1376 0.319E-01 0.325E-02
DAV: 2 -0.503807999286E+03 -0.19544E-04 -0.28202E-04 1696 0.375E-02 0.202E-02
DAV: 3 -0.503807995929E+03 0.33567E-05 -0.16156E-05 976 0.106E-02
117 F= -.50380800E+03 E0= -.50381584E+03 d E =-.267096E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503808148660E+03 -0.14937E-03 -0.55976E-02 1376 0.582E-01 0.586E-02
DAV: 2 -0.503808205376E+03 -0.56716E-04 -0.91851E-04 1680 0.668E-02 0.360E-02
DAV: 3 -0.503808191385E+03 0.13991E-04 -0.52916E-05 1552 0.179E-02 0.192E-02
DAV: 4 -0.503808189867E+03 0.15185E-05 -0.22034E-05 1104 0.118E-02
118 F= -.50380819E+03 E0= -.50381608E+03 d E =-.193938E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503808196174E+03 -0.47892E-05 -0.23169E-03 1392 0.118E-01 0.126E-02
DAV: 2 -0.503808199063E+03 -0.28887E-05 -0.38121E-05 1336 0.139E-02
119 F= -.50380820E+03 E0= -.50381607E+03 d E =-.203134E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503808282617E+03 -0.86442E-04 -0.26153E-02 1376 0.409E-01 0.454E-02
DAV: 2 -0.503808307936E+03 -0.25319E-04 -0.46583E-04 1672 0.486E-02 0.284E-02
DAV: 3 -0.503808299957E+03 0.79792E-05 -0.27479E-05 1264 0.137E-02
120 F= -.50380830E+03 E0= -.50381618E+03 d E =-.100894E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503808300888E+03 0.70481E-05 -0.24995E-04 1408 0.388E-02 0.482E-03
DAV: 2 -0.503808300946E+03 -0.58106E-07 -0.85372E-06 888 0.710E-03
121 F= -.50380830E+03 E0= -.50381620E+03 d E =-.101883E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503808370901E+03 -0.70013E-04 -0.26125E-02 1392 0.399E-01 0.391E-02
DAV: 2 -0.503808394246E+03 -0.23345E-04 -0.42659E-04 1664 0.471E-02 0.237E-02
DAV: 3 -0.503808388208E+03 0.60380E-05 -0.32519E-05 1400 0.146E-02
122 F= -.50380839E+03 E0= -.50381633E+03 d E =-.872616E-04
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503808389733E+03 0.45121E-05 -0.67738E-04 1456 0.652E-02 0.923E-03
DAV: 2 -0.503808389876E+03 -0.14232E-06 -0.77652E-06 920 0.694E-03
123 F= -.50380839E+03 E0= -.50381635E+03 d E =-.889298E-04
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503808435951E+03 -0.46218E-04 -0.11899E-02 1376 0.266E-01 0.267E-02
DAV: 2 -0.503808447195E+03 -0.11244E-04 -0.20706E-04 1640 0.324E-02 0.166E-02
DAV: 3 -0.503808443490E+03 0.37050E-05 -0.12942E-05 1024 0.959E-03
124 F= -.50380844E+03 E0= -.50381640E+03 d E =-.536143E-04
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503808443347E+03 0.38478E-05 -0.10858E-04 1464 0.264E-02 0.404E-03
DAV: 2 -0.503808443397E+03 -0.49396E-07 -0.12400E-06 792 0.290E-03
125 F= -.50380844E+03 E0= -.50381641E+03 d E =-.535209E-04
N E dE d eps ncg rms rms(c)
DAV: 1 -0.503808482541E+03 -0.39194E-04 -0.64161E-03 1376 0.201E-01 0.214E-02
DAV: 2 -0.503808488960E+03 -0.64194E-05 -0.11401E-04 1648 0.240E-02 0.130E-02
DAV: 3 -0.503808487135E+03 0.18249E-05 -0.55332E-06 832 0.691E-03
126 F= -.50380849E+03 E0= -.50381645E+03 d E =-.437388E-04