N E dE d eps ncg rms rms(c)
DAV: 1 0.177238253915E+04 0.17724E+04 -0.12623E+05 672 0.690E+02
DAV: 2 -0.442067288276E+03 -0.22144E+04 -0.21259E+04 832 0.175E+02
DAV: 3 -0.624049633123E+03 -0.18198E+03 -0.17791E+03 760 0.513E+01
DAV: 4 -0.634620434673E+03 -0.10571E+02 -0.10448E+02 1016 0.118E+01
DAV: 5 -0.634815106084E+03 -0.19467E+00 -0.19427E+00 840 0.178E+00 0.454E+01
DAV: 6 -0.618525468212E+03 0.16290E+02 -0.25670E+01 752 0.622E+00 0.272E+01
DAV: 7 -0.614887417802E+03 0.36381E+01 -0.22446E+01 768 0.635E+00 0.644E+00
DAV: 8 -0.615148260192E+03 -0.26084E+00 -0.90933E+00 880 0.561E+00 0.449E+00
DAV: 9 -0.614145583111E+03 0.10027E+01 -0.19776E+00 856 0.293E+00 0.226E+00
DAV: 10 -0.614122628062E+03 0.22955E-01 -0.89151E-01 776 0.130E+00 0.182E+00
DAV: 11 -0.614094131983E+03 0.28496E-01 -0.33519E-01 792 0.824E-01 0.108E+00
DAV: 12 -0.614096448906E+03 -0.23169E-02 -0.17361E-01 824 0.549E-01 0.854E-01
DAV: 13 -0.614084437622E+03 0.12011E-01 -0.72497E-02 824 0.324E-01 0.469E-01
DAV: 14 -0.614082905886E+03 0.15317E-02 -0.17437E-02 736 0.163E-01 0.257E-01
DAV: 15 -0.614081758058E+03 0.11478E-02 -0.54456E-03 768 0.111E-01 0.152E-01
DAV: 16 -0.614081566574E+03 0.19148E-03 -0.24342E-03 744 0.628E-02 0.998E-02
DAV: 17 -0.614082093162E+03 -0.52659E-03 -0.17639E-03 760 0.472E-02 0.767E-02
DAV: 18 -0.614082670816E+03 -0.57765E-03 -0.11650E-03 768 0.391E-02 0.586E-02
DAV: 19 -0.614083553686E+03 -0.88287E-03 -0.55174E-04 752 0.286E-02 0.434E-02
DAV: 20 -0.614084932772E+03 -0.13791E-02 -0.26439E-04 704 0.196E-02 0.295E-02
DAV: 21 -0.614086572534E+03 -0.16398E-02 -0.15529E-04 696 0.160E-02 0.218E-02
DAV: 22 -0.614087791613E+03 -0.12191E-02 -0.10072E-04 608 0.121E-02 0.155E-02
DAV: 23 -0.614088612451E+03 -0.82084E-03 -0.55354E-05 552 0.806E-03 0.111E-02
DAV: 24 -0.614089088741E+03 -0.47629E-03 -0.20784E-05 512 0.509E-03 0.680E-03
DAV: 25 -0.614089464384E+03 -0.37564E-03 -0.11228E-05 504 0.353E-03 0.398E-03
DAV: 26 -0.614089645229E+03 -0.18084E-03 -0.45870E-06 448 0.237E-03 0.304E-03
DAV: 27 -0.614089768322E+03 -0.12309E-03 -0.45887E-06 480 0.188E-03 0.187E-03
DAV: 28 -0.614089837309E+03 -0.68987E-04 -0.32505E-06 440 0.148E-03 0.117E-03
DAV: 29 -0.614089852852E+03 -0.15542E-04 -0.12358E-06 424 0.911E-04 0.920E-04
DAV: 30 -0.614089858835E+03 -0.59828E-05 -0.47640E-07 376 0.626E-04
1 F= -.61408986E+03 E0= -.61409261E+03 d E =-.614090E+03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.604086912925E+03 0.10003E+02 -0.22348E+03 776 0.715E+01 0.234E+01
DAV: 2 -0.623766095153E+03 -0.19679E+02 -0.20741E+02 776 0.179E+01 0.900E+00
DAV: 3 -0.623647481755E+03 0.11861E+00 -0.14981E+01 800 0.638E+00 0.973E+00
DAV: 4 -0.623224518623E+03 0.42296E+00 -0.36118E+00 808 0.326E+00 0.819E+00
DAV: 5 -0.623194653222E+03 0.29865E-01 -0.77378E-01 800 0.147E+00 0.621E+00
DAV: 6 -0.623150390203E+03 0.44263E-01 -0.50781E-01 816 0.129E+00 0.171E+00
DAV: 7 -0.623120412441E+03 0.29978E-01 -0.64305E-01 848 0.103E+00 0.113E+00
DAV: 8 -0.623097041827E+03 0.23371E-01 -0.12076E-01 832 0.511E-01 0.729E-01
DAV: 9 -0.623096378310E+03 0.66352E-03 -0.30698E-02 864 0.209E-01 0.498E-01
DAV: 10 -0.623095468787E+03 0.90952E-03 -0.42059E-03 792 0.889E-02 0.320E-01
DAV: 11 -0.623095617613E+03 -0.14883E-03 -0.58040E-03 824 0.101E-01 0.152E-01
DAV: 12 -0.623095401516E+03 0.21610E-03 -0.41054E-03 840 0.757E-02 0.681E-02
DAV: 13 -0.623095365671E+03 0.35844E-04 -0.76983E-04 824 0.377E-02 0.449E-02
DAV: 14 -0.623095389785E+03 -0.24113E-04 -0.13786E-04 760 0.165E-02 0.333E-02
DAV: 15 -0.623095483728E+03 -0.93944E-04 -0.44909E-05 568 0.896E-03 0.233E-02
DAV: 16 -0.623095607762E+03 -0.12403E-03 -0.35535E-05 576 0.782E-03 0.134E-02
DAV: 17 -0.623095656923E+03 -0.49161E-04 -0.83674E-06 440 0.439E-03 0.732E-03
DAV: 18 -0.623095713530E+03 -0.56607E-04 -0.48744E-06 432 0.286E-03 0.424E-03
DAV: 19 -0.623095805954E+03 -0.92424E-04 -0.76753E-06 488 0.290E-03 0.228E-03
DAV: 20 -0.623095850309E+03 -0.44355E-04 -0.27526E-06 440 0.180E-03 0.219E-03
DAV: 21 -0.623095886247E+03 -0.35938E-04 -0.21061E-06 424 0.136E-03 0.189E-03
DAV: 22 -0.623095923721E+03 -0.37474E-04 -0.36879E-06 456 0.138E-03 0.106E-03
DAV: 23 -0.623095932467E+03 -0.87454E-05 -0.72643E-07 384 0.791E-04
2 F= -.62309593E+03 E0= -.62311988E+03 d E =-.900607E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.627675422238E+03 -0.45795E+01 -0.42902E+02 688 0.249E+01 0.153E+01
DAV: 2 -0.630572452904E+03 -0.28970E+01 -0.32016E+01 784 0.727E+00 0.384E+00
DAV: 3 -0.630517942377E+03 0.54511E-01 -0.19490E+00 824 0.240E+00 0.385E+00
DAV: 4 -0.630462481020E+03 0.55461E-01 -0.75515E-01 840 0.146E+00 0.324E+00
DAV: 5 -0.630415365838E+03 0.47115E-01 -0.20925E-01 824 0.717E-01 0.185E+00
DAV: 6 -0.630424247755E+03 -0.88819E-02 -0.14623E-01 776 0.466E-01 0.641E-01
DAV: 7 -0.630416755225E+03 0.74925E-02 -0.96780E-02 808 0.332E-01 0.383E-01
DAV: 8 -0.630414749963E+03 0.20053E-02 -0.22106E-02 776 0.156E-01 0.265E-01
DAV: 9 -0.630414724832E+03 0.25131E-04 -0.29824E-03 792 0.778E-02 0.177E-01
DAV: 10 -0.630414786547E+03 -0.61715E-04 -0.13549E-03 768 0.534E-02 0.824E-02
DAV: 11 -0.630414847368E+03 -0.60821E-04 -0.66600E-04 808 0.360E-02 0.414E-02
DAV: 12 -0.630414898298E+03 -0.50930E-04 -0.14306E-04 784 0.188E-02 0.256E-02
DAV: 13 -0.630414934702E+03 -0.36404E-04 -0.32517E-05 552 0.102E-02 0.157E-02
DAV: 14 -0.630414996048E+03 -0.61346E-04 -0.18986E-05 488 0.666E-03 0.859E-03
DAV: 15 -0.630415078646E+03 -0.82597E-04 -0.14058E-05 496 0.473E-03 0.420E-03
DAV: 16 -0.630415116993E+03 -0.38347E-04 -0.37831E-06 440 0.281E-03 0.331E-03
DAV: 17 -0.630415156359E+03 -0.39366E-04 -0.29886E-06 448 0.208E-03 0.250E-03
DAV: 18 -0.630415219286E+03 -0.62928E-04 -0.59509E-06 488 0.215E-03 0.162E-03
DAV: 19 -0.630415267496E+03 -0.48210E-04 -0.51526E-06 488 0.174E-03 0.176E-03
DAV: 20 -0.630415282921E+03 -0.15425E-04 -0.89588E-07 416 0.954E-04 0.115E-03
DAV: 21 -0.630415299274E+03 -0.16353E-04 -0.15174E-06 440 0.925E-04 0.688E-04
DAV: 22 -0.630415308105E+03 -0.88311E-05 -0.10031E-06 416 0.722E-04
3 F= -.63041531E+03 E0= -.63042675E+03 d E =-.163254E+02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.630422025840E+03 -0.67266E-02 -0.18836E+00 664 0.164E+00 0.689E-01
DAV: 2 -0.630433730680E+03 -0.11705E-01 -0.13724E-01 824 0.530E-01 0.251E-01
DAV: 3 -0.630433046040E+03 0.68464E-03 -0.75413E-03 856 0.138E-01 0.204E-01
DAV: 4 -0.630433130505E+03 -0.84465E-04 -0.32036E-03 872 0.884E-02 0.173E-01
DAV: 5 -0.630432737947E+03 0.39256E-03 -0.16126E-03 840 0.595E-02 0.846E-02
DAV: 6 -0.630432818536E+03 -0.80589E-04 -0.10889E-03 808 0.384E-02 0.497E-02
DAV: 7 -0.630432745136E+03 0.73400E-04 -0.49447E-04 808 0.279E-02 0.275E-02
DAV: 8 -0.630432734927E+03 0.10209E-04 -0.65790E-05 608 0.110E-02 0.184E-02
DAV: 9 -0.630432732309E+03 0.26174E-05 -0.26477E-05 504 0.730E-03
4 F= -.63043273E+03 E0= -.63044488E+03 d E =-.163429E+02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.630932911556E+03 -0.50018E+00 -0.18388E+02 712 0.170E+01 0.631E+00
DAV: 2 -0.632142318799E+03 -0.12094E+01 -0.13661E+01 784 0.513E+00 0.311E+00
DAV: 3 -0.632039174861E+03 0.10314E+00 -0.64681E-01 824 0.116E+00 0.266E+00
DAV: 4 -0.632033286381E+03 0.58885E-02 -0.18203E-01 856 0.682E-01 0.177E+00
DAV: 5 -0.631996318139E+03 0.36968E-01 -0.15221E-01 840 0.743E-01 0.785E-01
DAV: 6 -0.631992335299E+03 0.39828E-02 -0.11004E-01 792 0.467E-01 0.442E-01
DAV: 7 -0.631990211502E+03 0.21238E-02 -0.29060E-02 784 0.225E-01 0.319E-01
DAV: 8 -0.631989299204E+03 0.91230E-03 -0.41272E-03 784 0.913E-02 0.209E-01
DAV: 9 -0.631989001424E+03 0.29778E-03 -0.36910E-03 768 0.768E-02 0.889E-02
DAV: 10 -0.631988971931E+03 0.29493E-04 -0.18082E-03 816 0.530E-02 0.567E-02
DAV: 11 -0.631988913780E+03 0.58151E-04 -0.44198E-04 808 0.277E-02 0.299E-02
DAV: 12 -0.631988924393E+03 -0.10613E-04 -0.91895E-05 784 0.126E-02 0.169E-02
DAV: 13 -0.631988949454E+03 -0.25061E-04 -0.20137E-05 440 0.640E-03 0.105E-02
DAV: 14 -0.631988977164E+03 -0.27710E-04 -0.11225E-05 408 0.506E-03 0.591E-03
DAV: 15 -0.631988992382E+03 -0.15217E-04 -0.48601E-06 376 0.357E-03 0.290E-03
DAV: 16 -0.631989007717E+03 -0.15335E-04 -0.17277E-06 400 0.205E-03 0.207E-03
DAV: 17 -0.631989025661E+03 -0.17944E-04 -0.13093E-06 400 0.142E-03 0.135E-03
DAV: 18 -0.631989044277E+03 -0.18615E-04 -0.16003E-06 400 0.130E-03 0.935E-04
DAV: 19 -0.631989050352E+03 -0.60752E-05 -0.53121E-07 376 0.899E-04
5 F= -.63198905E+03 E0= -.63200726E+03 d E =-.155632E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.632470824771E+03 -0.48178E+00 -0.31274E+01 664 0.654E+00 0.315E+00
DAV: 2 -0.632626160113E+03 -0.15534E+00 -0.18778E+00 792 0.206E+00 0.917E-01
DAV: 3 -0.632615662201E+03 0.10498E-01 -0.10017E-01 832 0.544E-01 0.829E-01
DAV: 4 -0.632614565296E+03 0.10969E-02 -0.39545E-02 840 0.350E-01 0.679E-01
DAV: 5 -0.632610016094E+03 0.45492E-02 -0.17425E-02 816 0.235E-01 0.341E-01
DAV: 6 -0.632611037224E+03 -0.10211E-02 -0.15409E-02 784 0.150E-01 0.179E-01
DAV: 7 -0.632610215933E+03 0.82129E-03 -0.47090E-03 800 0.897E-02 0.903E-02
DAV: 8 -0.632610160668E+03 0.55265E-04 -0.95731E-04 776 0.368E-02 0.673E-02
DAV: 9 -0.632610132602E+03 0.28067E-04 -0.36898E-04 784 0.240E-02 0.402E-02
DAV: 10 -0.632610128816E+03 0.37859E-05 -0.16678E-04 800 0.173E-02 0.181E-02
DAV: 11 -0.632610128927E+03 -0.11129E-06 -0.38112E-05 512 0.920E-03
6 F= -.63261013E+03 E0= -.63262559E+03 d E =-.217740E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.633666626978E+03 -0.10565E+01 -0.99656E+01 712 0.102E+01 0.284E+00
DAV: 2 -0.634088467916E+03 -0.42184E+00 -0.45610E+00 752 0.259E+00 0.112E+00
DAV: 3 -0.634092158089E+03 -0.36902E-02 -0.25907E-01 880 0.648E-01 0.109E+00
DAV: 4 -0.634091453482E+03 0.70461E-03 -0.20724E-02 864 0.252E-01 0.846E-01
DAV: 5 -0.634090017112E+03 0.14364E-02 -0.16793E-02 872 0.267E-01 0.507E-01
DAV: 6 -0.634087932881E+03 0.20842E-02 -0.21967E-02 792 0.244E-01 0.220E-01
DAV: 7 -0.634087335855E+03 0.59703E-03 -0.83676E-03 808 0.128E-01 0.141E-01
DAV: 8 -0.634087099293E+03 0.23656E-03 -0.97215E-04 776 0.475E-02 0.851E-02
DAV: 9 -0.634087053259E+03 0.46034E-04 -0.26467E-04 792 0.222E-02 0.572E-02
DAV: 10 -0.634087059306E+03 -0.60473E-05 -0.19201E-04 784 0.184E-02 0.256E-02
DAV: 11 -0.634087067345E+03 -0.80385E-05 -0.12312E-04 664 0.137E-02 0.171E-02
DAV: 12 -0.634087068780E+03 -0.14351E-05 -0.36421E-05 440 0.770E-03
7 F= -.63408707E+03 E0= -.63410609E+03 d E =-.147694E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.634083944385E+03 0.31230E-02 -0.62118E+01 696 0.776E+00 0.215E+00
DAV: 2 -0.634339672929E+03 -0.25573E+00 -0.27442E+00 776 0.200E+00 0.815E-01
DAV: 3 -0.634342132571E+03 -0.24596E-02 -0.14413E-01 896 0.502E-01 0.766E-01
DAV: 4 -0.634342673367E+03 -0.54080E-03 -0.17689E-02 880 0.248E-01 0.636E-01
DAV: 5 -0.634339475022E+03 0.31983E-02 -0.95123E-03 880 0.199E-01 0.373E-01
DAV: 6 -0.634339427929E+03 0.47092E-04 -0.12123E-02 768 0.154E-01 0.145E-01
DAV: 7 -0.634339170690E+03 0.25724E-03 -0.31166E-03 784 0.792E-02 0.938E-02
DAV: 8 -0.634339063285E+03 0.10741E-03 -0.55196E-04 800 0.345E-02 0.596E-02
DAV: 9 -0.634339063635E+03 -0.34952E-06 -0.33551E-04 776 0.214E-02 0.394E-02
DAV: 10 -0.634339076965E+03 -0.13330E-04 -0.15567E-04 760 0.146E-02 0.197E-02
DAV: 11 -0.634339086844E+03 -0.98788E-05 -0.40093E-05 472 0.862E-03
8 F= -.63433909E+03 E0= -.63436127E+03 d E =-.172896E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.635230932507E+03 -0.89186E+00 -0.53548E+01 664 0.856E+00 0.259E+00
DAV: 2 -0.635491091153E+03 -0.26016E+00 -0.28492E+00 800 0.238E+00 0.123E+00
DAV: 3 -0.635500705284E+03 -0.96141E-02 -0.26987E-01 840 0.904E-01 0.105E+00
DAV: 4 -0.635475280877E+03 0.25424E-01 -0.85211E-02 848 0.575E-01 0.821E-01
DAV: 5 -0.635471796464E+03 0.34844E-02 -0.29898E-02 752 0.273E-01 0.399E-01
DAV: 6 -0.635472829423E+03 -0.10330E-02 -0.12909E-02 792 0.147E-01 0.205E-01
DAV: 7 -0.635472389692E+03 0.43973E-03 -0.65783E-03 824 0.943E-02 0.115E-01
DAV: 8 -0.635472306846E+03 0.82846E-04 -0.16529E-03 856 0.471E-02 0.827E-02
DAV: 9 -0.635472298138E+03 0.87087E-05 -0.56358E-04 832 0.278E-02 0.583E-02
DAV: 10 -0.635472306279E+03 -0.81417E-05 -0.25008E-04 800 0.209E-02 0.232E-02
DAV: 11 -0.635472333718E+03 -0.27439E-04 -0.79304E-05 752 0.127E-02 0.115E-02
DAV: 12 -0.635472352528E+03 -0.18810E-04 -0.16463E-05 408 0.661E-03 0.697E-03
DAV: 13 -0.635472371457E+03 -0.18929E-04 -0.43539E-06 384 0.381E-03 0.494E-03
DAV: 14 -0.635472397848E+03 -0.26390E-04 -0.29436E-06 408 0.275E-03 0.309E-03
DAV: 15 -0.635472432657E+03 -0.34810E-04 -0.27459E-06 432 0.210E-03 0.179E-03
DAV: 16 -0.635472454489E+03 -0.21832E-04 -0.11139E-06 392 0.140E-03 0.147E-03
DAV: 17 -0.635472482086E+03 -0.27597E-04 -0.14693E-06 432 0.127E-03 0.106E-03
DAV: 18 -0.635472505778E+03 -0.23692E-04 -0.18950E-06 424 0.118E-03 0.689E-04
DAV: 19 -0.635472514487E+03 -0.87090E-05 -0.78331E-07 408 0.848E-04
9 F= -.63547251E+03 E0= -.63549142E+03 d E =-.113343E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.635539815194E+03 -0.67309E-01 -0.38873E+01 664 0.721E+00 0.211E+00
DAV: 2 -0.635723772544E+03 -0.18396E+00 -0.19651E+00 800 0.198E+00 0.105E+00
DAV: 3 -0.635734163237E+03 -0.10391E-01 -0.23549E-01 840 0.846E-01 0.895E-01
DAV: 4 -0.635708331302E+03 0.25832E-01 -0.70357E-02 856 0.521E-01 0.613E-01
DAV: 5 -0.635706980493E+03 0.13508E-02 -0.25764E-02 760 0.242E-01 0.293E-01
DAV: 6 -0.635707738984E+03 -0.75849E-03 -0.99008E-03 824 0.127E-01 0.195E-01
DAV: 7 -0.635707358687E+03 0.38030E-03 -0.59008E-03 816 0.855E-02 0.108E-01
DAV: 8 -0.635707245125E+03 0.11356E-03 -0.16157E-03 840 0.459E-02 0.686E-02
DAV: 9 -0.635707222788E+03 0.22337E-04 -0.43202E-04 824 0.268E-02 0.448E-02
DAV: 10 -0.635707229654E+03 -0.68657E-05 -0.13734E-04 776 0.169E-02 0.214E-02
DAV: 11 -0.635707247043E+03 -0.17389E-04 -0.51579E-05 592 0.110E-02 0.112E-02
DAV: 12 -0.635707258855E+03 -0.11812E-04 -0.15807E-05 416 0.661E-03 0.604E-03
DAV: 13 -0.635707272204E+03 -0.13349E-04 -0.46374E-06 384 0.374E-03 0.394E-03
DAV: 14 -0.635707288055E+03 -0.15850E-04 -0.22904E-06 400 0.246E-03 0.247E-03
DAV: 15 -0.635707310707E+03 -0.22652E-04 -0.18906E-06 424 0.192E-03 0.144E-03
DAV: 16 -0.635707325310E+03 -0.14603E-04 -0.90138E-07 400 0.130E-03 0.119E-03
DAV: 17 -0.635707340059E+03 -0.14749E-04 -0.78181E-07 424 0.105E-03 0.928E-04
DAV: 18 -0.635707354978E+03 -0.14919E-04 -0.10486E-06 432 0.994E-04 0.597E-04
DAV: 19 -0.635707363911E+03 -0.89333E-05 -0.87469E-07 424 0.814E-04
10 F= -.63570736E+03 E0= -.63572338E+03 d E =-.136828E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.636330065443E+03 -0.62271E+00 -0.62428E+01 672 0.805E+00 0.237E+00
DAV: 2 -0.636579605947E+03 -0.24954E+00 -0.26965E+00 776 0.207E+00 0.937E-01
DAV: 3 -0.636595795838E+03 -0.16190E-01 -0.23767E-01 864 0.792E-01 0.857E-01
DAV: 4 -0.636575833185E+03 0.19963E-01 -0.64608E-02 880 0.500E-01 0.615E-01
DAV: 5 -0.636574627038E+03 0.12061E-02 -0.22068E-02 776 0.234E-01 0.313E-01
DAV: 6 -0.636575322817E+03 -0.69578E-03 -0.90029E-03 816 0.131E-01 0.178E-01
DAV: 7 -0.636574852332E+03 0.47048E-03 -0.37787E-03 832 0.839E-02 0.818E-02
DAV: 8 -0.636574843908E+03 0.84245E-05 -0.69799E-04 848 0.382E-02 0.603E-02
DAV: 9 -0.636574846393E+03 -0.24849E-05 -0.21011E-04 816 0.215E-02 0.424E-02
DAV: 10 -0.636574843631E+03 0.27618E-05 -0.12931E-04 784 0.173E-02 0.223E-02
DAV: 11 -0.636574848357E+03 -0.47257E-05 -0.48496E-05 536 0.108E-02
11 F= -.63657485E+03 E0= -.63658915E+03 d E =-.867484E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.636526255812E+03 0.48588E-01 -0.11809E+02 680 0.113E+01 0.326E+00
DAV: 2 -0.637011835334E+03 -0.48558E+00 -0.51859E+00 768 0.280E+00 0.126E+00
DAV: 3 -0.637040752985E+03 -0.28918E-01 -0.43550E-01 864 0.106E+00 0.113E+00
DAV: 4 -0.637006161458E+03 0.34592E-01 -0.10793E-01 872 0.667E-01 0.820E-01
DAV: 5 -0.637004008630E+03 0.21528E-02 -0.40406E-02 760 0.313E-01 0.406E-01
DAV: 6 -0.637005492916E+03 -0.14843E-02 -0.14942E-02 824 0.172E-01 0.243E-01
DAV: 7 -0.637004648120E+03 0.84480E-03 -0.64844E-03 832 0.114E-01 0.126E-01
DAV: 8 -0.637004608011E+03 0.40109E-04 -0.20292E-03 864 0.585E-02 0.930E-02
DAV: 9 -0.637004551817E+03 0.56194E-04 -0.79031E-04 832 0.359E-02 0.615E-02
DAV: 10 -0.637004561183E+03 -0.93662E-05 -0.32202E-04 824 0.239E-02 0.305E-02
DAV: 11 -0.637004577627E+03 -0.16444E-04 -0.10981E-04 792 0.147E-02 0.146E-02
DAV: 12 -0.637004596356E+03 -0.18730E-04 -0.33583E-05 472 0.830E-03 0.101E-02
DAV: 13 -0.637004611837E+03 -0.15481E-04 -0.11267E-05 400 0.501E-03 0.602E-03
DAV: 14 -0.637004636820E+03 -0.24983E-04 -0.43009E-06 408 0.323E-03 0.352E-03
DAV: 15 -0.637004660735E+03 -0.23915E-04 -0.23687E-06 392 0.227E-03 0.213E-03
DAV: 16 -0.637004681918E+03 -0.21183E-04 -0.11934E-06 376 0.160E-03 0.153E-03
DAV: 17 -0.637004702034E+03 -0.20116E-04 -0.91633E-07 424 0.117E-03 0.120E-03
DAV: 18 -0.637004725680E+03 -0.23646E-04 -0.12918E-06 408 0.108E-03 0.784E-04
DAV: 19 -0.637004744285E+03 -0.18605E-04 -0.16449E-06 432 0.969E-04 0.710E-04
DAV: 20 -0.637004748411E+03 -0.41261E-05 -0.44466E-07 368 0.663E-04
12 F= -.63700475E+03 E0= -.63701583E+03 d E =-.129738E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.637461207219E+03 -0.45646E+00 -0.63723E+01 672 0.857E+00 0.250E+00
DAV: 2 -0.637729033036E+03 -0.26783E+00 -0.29371E+00 792 0.222E+00 0.984E-01
DAV: 3 -0.637732649811E+03 -0.36168E-02 -0.16182E-01 840 0.612E-01 0.888E-01
DAV: 4 -0.637731735010E+03 0.91480E-03 -0.55816E-02 880 0.344E-01 0.684E-01
DAV: 5 -0.637727456099E+03 0.42789E-02 -0.24131E-02 864 0.240E-01 0.380E-01
DAV: 6 -0.637728006577E+03 -0.55048E-03 -0.15270E-02 792 0.163E-01 0.190E-01
DAV: 7 -0.637727141728E+03 0.86485E-03 -0.47526E-03 832 0.982E-02 0.100E-01
DAV: 8 -0.637727069425E+03 0.72303E-04 -0.10508E-03 768 0.462E-02 0.751E-02
DAV: 9 -0.637727017907E+03 0.51518E-04 -0.40954E-04 808 0.306E-02 0.434E-02
DAV: 10 -0.637727030822E+03 -0.12915E-04 -0.20096E-04 792 0.208E-02 0.221E-02
DAV: 11 -0.637727035418E+03 -0.45955E-05 -0.54288E-05 552 0.114E-02
13 F= -.63772704E+03 E0= -.63773368E+03 d E =-.722287E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.637749421672E+03 -0.22391E-01 -0.34146E+01 664 0.619E+00 0.183E+00
DAV: 2 -0.637890133384E+03 -0.14071E+00 -0.15479E+00 816 0.164E+00 0.732E-01
DAV: 3 -0.637892965075E+03 -0.28317E-02 -0.88590E-02 808 0.493E-01 0.659E-01
DAV: 4 -0.637889460338E+03 0.35047E-02 -0.35546E-02 880 0.308E-01 0.482E-01
DAV: 5 -0.637887784583E+03 0.16758E-02 -0.10999E-02 832 0.176E-01 0.269E-01
DAV: 6 -0.637888374036E+03 -0.58945E-03 -0.73456E-03 816 0.118E-01 0.154E-01
DAV: 7 -0.637887835689E+03 0.53835E-03 -0.35957E-03 832 0.797E-02 0.705E-02
DAV: 8 -0.637887764296E+03 0.71393E-04 -0.86271E-04 800 0.387E-02 0.479E-02
DAV: 9 -0.637887751987E+03 0.12309E-04 -0.17640E-04 768 0.210E-02 0.296E-02
DAV: 10 -0.637887767975E+03 -0.15987E-04 -0.91482E-05 760 0.134E-02 0.163E-02
DAV: 11 -0.637887779366E+03 -0.11392E-04 -0.27979E-05 448 0.759E-03 0.715E-03
DAV: 12 -0.637887789837E+03 -0.10471E-04 -0.85988E-06 400 0.456E-03 0.563E-03
DAV: 13 -0.637887797826E+03 -0.79888E-05 -0.47414E-06 384 0.317E-03
14 F= -.63788780E+03 E0= -.63789191E+03 d E =-.883049E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.638320862486E+03 -0.43307E+00 -0.37043E+01 664 0.681E+00 0.195E+00
DAV: 2 -0.638487367482E+03 -0.16650E+00 -0.18457E+00 832 0.185E+00 0.890E-01
DAV: 3 -0.638482654535E+03 0.47129E-02 -0.67762E-02 880 0.401E-01 0.720E-01
DAV: 4 -0.638483170933E+03 -0.51640E-03 -0.17773E-02 832 0.180E-01 0.501E-01
DAV: 5 -0.638482636864E+03 0.53407E-03 -0.21749E-02 848 0.183E-01 0.307E-01
DAV: 6 -0.638481221304E+03 0.14156E-02 -0.12020E-02 856 0.139E-01 0.132E-01
DAV: 7 -0.638480929655E+03 0.29165E-03 -0.28465E-03 792 0.714E-02 0.841E-02
DAV: 8 -0.638480881090E+03 0.48565E-04 -0.46248E-04 760 0.330E-02 0.593E-02
DAV: 9 -0.638480879758E+03 0.13327E-05 -0.20848E-04 808 0.216E-02 0.362E-02
DAV: 10 -0.638480894572E+03 -0.14814E-04 -0.14237E-04 816 0.181E-02 0.195E-02
DAV: 11 -0.638480900542E+03 -0.59699E-05 -0.51926E-05 552 0.108E-02
15 F= -.63848090E+03 E0= -.63848534E+03 d E =-.593103E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.638511176109E+03 -0.30282E-01 -0.40059E+01 664 0.707E+00 0.201E+00
DAV: 2 -0.638687121175E+03 -0.17595E+00 -0.19446E+00 808 0.191E+00 0.869E-01
DAV: 3 -0.638685221743E+03 0.18994E-02 -0.10663E-01 864 0.471E-01 0.758E-01
DAV: 4 -0.638686309172E+03 -0.10874E-02 -0.21009E-02 856 0.198E-01 0.558E-01
DAV: 5 -0.638685421392E+03 0.88778E-03 -0.23110E-02 840 0.179E-01 0.375E-01
DAV: 6 -0.638684228576E+03 0.11928E-02 -0.14740E-02 840 0.148E-01 0.157E-01
DAV: 7 -0.638683715606E+03 0.51297E-03 -0.42487E-03 792 0.880E-02 0.898E-02
DAV: 8 -0.638683665063E+03 0.50542E-04 -0.72785E-04 752 0.390E-02 0.634E-02
DAV: 9 -0.638683650587E+03 0.14476E-04 -0.23492E-04 816 0.198E-02 0.467E-02
DAV: 10 -0.638683662970E+03 -0.12383E-04 -0.15476E-04 792 0.165E-02 0.248E-02
DAV: 11 -0.638683680716E+03 -0.17745E-04 -0.80162E-05 704 0.115E-02 0.132E-02
DAV: 12 -0.638683688981E+03 -0.82655E-05 -0.22528E-05 440 0.764E-03
16 F= -.63868369E+03 E0= -.63868876E+03 d E =-.795891E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.638989656475E+03 -0.30598E+00 -0.23922E+01 664 0.550E+00 0.161E+00
DAV: 2 -0.639089489567E+03 -0.99833E-01 -0.11505E+00 808 0.148E+00 0.717E-01
DAV: 3 -0.639091177452E+03 -0.16879E-02 -0.85052E-02 832 0.514E-01 0.640E-01
DAV: 4 -0.639084497474E+03 0.66800E-02 -0.38679E-02 816 0.322E-01 0.441E-01
DAV: 5 -0.639084628147E+03 -0.13067E-03 -0.16050E-02 824 0.168E-01 0.288E-01
DAV: 6 -0.639084178136E+03 0.45001E-03 -0.11161E-02 840 0.129E-01 0.178E-01
DAV: 7 -0.639083897066E+03 0.28107E-03 -0.37702E-03 848 0.836E-02 0.769E-02
DAV: 8 -0.639083749777E+03 0.14729E-03 -0.97379E-04 848 0.455E-02 0.386E-02
DAV: 9 -0.639083756289E+03 -0.65121E-05 -0.17904E-04 792 0.197E-02 0.264E-02
DAV: 10 -0.639083767596E+03 -0.11307E-04 -0.41922E-05 528 0.911E-03 0.161E-02
DAV: 11 -0.639083786997E+03 -0.19402E-04 -0.32224E-05 448 0.753E-03 0.104E-02
DAV: 12 -0.639083792933E+03 -0.59353E-05 -0.18445E-05 408 0.575E-03
17 F= -.63908379E+03 E0= -.63908953E+03 d E =-.400104E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.639129449172E+03 -0.45662E-01 -0.23921E+01 664 0.549E+00 0.159E+00
DAV: 2 -0.639230729357E+03 -0.10128E+00 -0.11599E+00 824 0.148E+00 0.724E-01
DAV: 3 -0.639233061672E+03 -0.23323E-02 -0.10406E-01 872 0.563E-01 0.650E-01
DAV: 4 -0.639223896418E+03 0.91653E-02 -0.44130E-02 856 0.345E-01 0.427E-01
DAV: 5 -0.639224688870E+03 -0.79245E-03 -0.18440E-02 808 0.176E-01 0.308E-01
DAV: 6 -0.639223661910E+03 0.10270E-02 -0.11431E-02 856 0.126E-01 0.181E-01
DAV: 7 -0.639223608312E+03 0.53598E-04 -0.29517E-03 824 0.728E-02 0.812E-02
DAV: 8 -0.639223465282E+03 0.14303E-03 -0.10030E-03 808 0.452E-02 0.362E-02
DAV: 9 -0.639223464444E+03 0.83791E-06 -0.18203E-04 792 0.206E-02 0.225E-02
DAV: 10 -0.639223472366E+03 -0.79220E-05 -0.43047E-05 560 0.929E-03
18 F= -.63922347E+03 E0= -.63922954E+03 d E =-.539783E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.639403189887E+03 -0.17973E+00 -0.18033E+01 664 0.475E+00 0.145E+00
DAV: 2 -0.639485466288E+03 -0.82276E-01 -0.92307E-01 832 0.132E+00 0.645E-01
DAV: 3 -0.639486037636E+03 -0.57135E-03 -0.99730E-02 880 0.578E-01 0.558E-01
DAV: 4 -0.639476327471E+03 0.97102E-02 -0.31108E-02 848 0.333E-01 0.327E-01
DAV: 5 -0.639477664542E+03 -0.13371E-02 -0.18025E-02 792 0.173E-01 0.267E-01
DAV: 6 -0.639476456945E+03 0.12076E-02 -0.80022E-03 808 0.106E-01 0.146E-01
DAV: 7 -0.639476494141E+03 -0.37196E-04 -0.15931E-03 800 0.506E-02 0.783E-02
DAV: 8 -0.639476446515E+03 0.47626E-04 -0.75868E-04 816 0.329E-02 0.347E-02
DAV: 9 -0.639476432902E+03 0.13613E-04 -0.17418E-04 800 0.189E-02 0.176E-02
DAV: 10 -0.639476436424E+03 -0.35217E-05 -0.48455E-05 560 0.958E-03
19 F= -.63947644E+03 E0= -.63948283E+03 d E =-.252964E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.639491576307E+03 -0.15143E-01 -0.55340E+00 680 0.262E+00 0.787E-01
DAV: 2 -0.639515987882E+03 -0.24412E-01 -0.27077E-01 840 0.723E-01 0.344E-01
DAV: 3 -0.639516023939E+03 -0.36057E-04 -0.21600E-02 896 0.295E-01 0.290E-01
DAV: 4 -0.639513607644E+03 0.24163E-02 -0.80611E-03 888 0.176E-01 0.174E-01
DAV: 5 -0.639513947900E+03 -0.34026E-03 -0.50089E-03 800 0.928E-02 0.138E-01
DAV: 6 -0.639513623501E+03 0.32440E-03 -0.23646E-03 816 0.574E-02 0.736E-02
DAV: 7 -0.639513627305E+03 -0.38043E-05 -0.47521E-04 800 0.273E-02 0.375E-02
DAV: 8 -0.639513617683E+03 0.96218E-05 -0.21039E-04 816 0.171E-02 0.185E-02
DAV: 9 -0.639513617321E+03 0.36202E-06 -0.46330E-05 528 0.967E-03
20 F= -.63951362E+03 E0= -.63952010E+03 d E =-.290145E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.639607645400E+03 -0.94028E-01 -0.66455E+00 664 0.302E+00 0.892E-01
DAV: 2 -0.639636894049E+03 -0.29249E-01 -0.33760E-01 808 0.841E-01 0.377E-01
DAV: 3 -0.639636648718E+03 0.24533E-03 -0.23154E-02 808 0.229E-01 0.290E-01
DAV: 4 -0.639636251636E+03 0.39708E-03 -0.12172E-02 832 0.141E-01 0.235E-01
DAV: 5 -0.639635509219E+03 0.74242E-03 -0.49471E-03 800 0.876E-02 0.117E-01
DAV: 6 -0.639635605906E+03 -0.96687E-04 -0.20915E-03 848 0.630E-02 0.713E-02
DAV: 7 -0.639635481582E+03 0.12432E-03 -0.84085E-04 856 0.462E-02 0.354E-02
DAV: 8 -0.639635482321E+03 -0.73887E-06 -0.20512E-04 840 0.185E-02 0.289E-02
DAV: 9 -0.639635477816E+03 0.45052E-05 -0.74707E-05 552 0.109E-02
21 F= -.63963548E+03 E0= -.63964160E+03 d E =-.121860E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.639645489148E+03 -0.10007E-01 -0.20742E+00 680 0.169E+00 0.494E-01
DAV: 2 -0.639654666622E+03 -0.91775E-02 -0.10542E-01 816 0.471E-01 0.209E-01
DAV: 3 -0.639654535207E+03 0.13141E-03 -0.70078E-03 808 0.126E-01 0.158E-01
DAV: 4 -0.639654443378E+03 0.91829E-04 -0.35758E-03 824 0.779E-02 0.128E-01
DAV: 5 -0.639654226993E+03 0.21639E-03 -0.15645E-03 800 0.496E-02 0.656E-02
DAV: 6 -0.639654239736E+03 -0.12743E-04 -0.65832E-04 840 0.355E-02 0.388E-02
DAV: 7 -0.639654210180E+03 0.29556E-04 -0.24612E-04 832 0.249E-02 0.200E-02
DAV: 8 -0.639654212114E+03 -0.19340E-05 -0.67051E-05 560 0.104E-02
22 F= -.63965421E+03 E0= -.63966009E+03 d E =-.140595E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.639711895878E+03 -0.57686E-01 -0.11339E+01 664 0.351E+00 0.916E-01
DAV: 2 -0.639759097534E+03 -0.47202E-01 -0.50550E-01 808 0.991E-01 0.434E-01
DAV: 3 -0.639758839650E+03 0.25788E-03 -0.39414E-02 856 0.379E-01 0.374E-01
DAV: 4 -0.639755691891E+03 0.31478E-02 -0.10743E-02 832 0.201E-01 0.240E-01
DAV: 5 -0.639756565918E+03 -0.87403E-03 -0.86546E-03 872 0.116E-01 0.223E-01
DAV: 6 -0.639755564695E+03 0.10012E-02 -0.46151E-03 848 0.838E-02 0.891E-02
DAV: 7 -0.639755641929E+03 -0.77234E-04 -0.70614E-04 784 0.352E-02 0.440E-02
DAV: 8 -0.639755610195E+03 0.31733E-04 -0.24176E-04 816 0.202E-02 0.204E-02
DAV: 9 -0.639755612751E+03 -0.25558E-05 -0.60633E-05 544 0.101E-02
23 F= -.63975561E+03 E0= -.63976082E+03 d E =-.101401E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.639758276987E+03 -0.26668E-02 -0.20737E+00 680 0.150E+00 0.384E-01
DAV: 2 -0.639766494894E+03 -0.82179E-02 -0.88558E-02 792 0.422E-01 0.180E-01
DAV: 3 -0.639766527141E+03 -0.32246E-04 -0.66825E-03 856 0.155E-01 0.155E-01
DAV: 4 -0.639765976592E+03 0.55055E-03 -0.20691E-03 824 0.853E-02 0.974E-02
DAV: 5 -0.639766122671E+03 -0.14608E-03 -0.16448E-03 856 0.494E-02 0.888E-02
DAV: 6 -0.639765960112E+03 0.16256E-03 -0.82685E-04 848 0.356E-02 0.349E-02
DAV: 7 -0.639765977030E+03 -0.16918E-04 -0.13285E-04 784 0.153E-02 0.202E-02
DAV: 8 -0.639765972640E+03 0.43901E-05 -0.60026E-05 488 0.968E-03
24 F= -.63976597E+03 E0= -.63977094E+03 d E =-.111761E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.639826094221E+03 -0.60117E-01 -0.11382E+01 664 0.304E+00 0.756E-01
DAV: 2 -0.639862839648E+03 -0.36745E-01 -0.39318E-01 800 0.743E-01 0.329E-01
DAV: 3 -0.639862891124E+03 -0.51476E-04 -0.15028E-02 832 0.223E-01 0.271E-01
DAV: 4 -0.639862199673E+03 0.69145E-03 -0.40213E-03 816 0.124E-01 0.203E-01
DAV: 5 -0.639862225036E+03 -0.25362E-04 -0.28936E-03 800 0.756E-02 0.111E-01
DAV: 6 -0.639862138852E+03 0.86184E-04 -0.20544E-03 832 0.532E-02 0.647E-02
DAV: 7 -0.639862089965E+03 0.48887E-04 -0.49711E-04 824 0.297E-02 0.260E-02
DAV: 8 -0.639862080504E+03 0.94609E-05 -0.98678E-05 688 0.138E-02
25 F= -.63986208E+03 E0= -.63986662E+03 d E =-.961079E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.639822425586E+03 0.39664E-01 -0.67989E+01 688 0.770E+00 0.172E+00
DAV: 2 -0.639968528745E+03 -0.14610E+00 -0.15866E+00 784 0.169E+00 0.672E-01
DAV: 3 -0.639970129297E+03 -0.16006E-02 -0.80854E-02 848 0.428E-01 0.609E-01
DAV: 4 -0.639968853688E+03 0.12756E-02 -0.22734E-02 856 0.216E-01 0.492E-01
DAV: 5 -0.639968447850E+03 0.40584E-03 -0.14813E-02 816 0.148E-01 0.308E-01
DAV: 6 -0.639967794279E+03 0.65357E-03 -0.94533E-03 840 0.151E-01 0.152E-01
DAV: 7 -0.639967362521E+03 0.43176E-03 -0.27895E-03 808 0.939E-02 0.616E-02
DAV: 8 -0.639967367310E+03 -0.47887E-05 -0.82863E-04 808 0.378E-02 0.484E-02
DAV: 9 -0.639967348123E+03 0.19187E-04 -0.16693E-04 792 0.175E-02 0.331E-02
DAV: 10 -0.639967344276E+03 0.38468E-05 -0.97994E-05 744 0.123E-02
26 F= -.63996734E+03 E0= -.63997087E+03 d E =-.201372E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.640004162059E+03 -0.36814E-01 -0.24463E+01 688 0.423E+00 0.112E+00
DAV: 2 -0.640084830604E+03 -0.80669E-01 -0.84766E-01 768 0.103E+00 0.398E-01
DAV: 3 -0.640088701138E+03 -0.38705E-02 -0.58788E-02 840 0.332E-01 0.431E-01
DAV: 4 -0.640086048220E+03 0.26529E-02 -0.14889E-02 824 0.173E-01 0.322E-01
DAV: 5 -0.640085972461E+03 0.75758E-04 -0.45804E-03 896 0.881E-02 0.234E-01
DAV: 6 -0.640085726121E+03 0.24634E-03 -0.24750E-03 856 0.799E-02 0.108E-01
DAV: 7 -0.640085689318E+03 0.36803E-04 -0.98410E-04 776 0.490E-02 0.380E-02
DAV: 8 -0.640085689636E+03 -0.31759E-06 -0.24746E-04 768 0.219E-02 0.291E-02
DAV: 9 -0.640085687174E+03 0.24618E-05 -0.45746E-05 560 0.940E-03
27 F= -.64008569E+03 E0= -.64008951E+03 d E =-.118343E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.640079029329E+03 0.66603E-02 -0.96060E+00 696 0.262E+00 0.707E-01
DAV: 2 -0.640109677401E+03 -0.30648E-01 -0.32341E-01 768 0.655E-01 0.279E-01
DAV: 3 -0.640110063906E+03 -0.38651E-03 -0.14114E-02 816 0.191E-01 0.236E-01
DAV: 4 -0.640109374296E+03 0.68961E-03 -0.51982E-03 808 0.107E-01 0.179E-01
DAV: 5 -0.640109358639E+03 0.15657E-04 -0.26636E-03 848 0.659E-02 0.121E-01
DAV: 6 -0.640109153243E+03 0.20540E-03 -0.12446E-03 840 0.557E-02 0.449E-02
DAV: 7 -0.640109174512E+03 -0.21269E-04 -0.32096E-04 760 0.254E-02 0.245E-02
DAV: 8 -0.640109168867E+03 0.56457E-05 -0.92640E-05 632 0.120E-02
28 F= -.64010917E+03 E0= -.64011330E+03 d E =-.141825E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.640185405923E+03 -0.76231E-01 -0.22589E+00 664 0.163E+00 0.479E-01
DAV: 2 -0.640194259907E+03 -0.88540E-02 -0.10265E-01 784 0.450E-01 0.221E-01
DAV: 3 -0.640194292903E+03 -0.32996E-04 -0.13441E-02 832 0.190E-01 0.189E-01
DAV: 4 -0.640193514688E+03 0.77822E-03 -0.50202E-03 824 0.991E-02 0.116E-01
DAV: 5 -0.640193465092E+03 0.49596E-04 -0.20323E-03 880 0.580E-02 0.858E-02
DAV: 6 -0.640193388013E+03 0.77079E-04 -0.60129E-04 808 0.382E-02 0.403E-02
DAV: 7 -0.640193408641E+03 -0.20628E-04 -0.16749E-04 776 0.170E-02 0.213E-02
DAV: 8 -0.640193404648E+03 0.39932E-05 -0.65347E-05 544 0.105E-02
29 F= -.64019340E+03 E0= -.64019668E+03 d E =-.842358E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.640232515038E+03 -0.39106E-01 -0.10078E+01 664 0.345E+00 0.103E+00
DAV: 2 -0.640272790863E+03 -0.40276E-01 -0.46341E-01 784 0.945E-01 0.438E-01
DAV: 3 -0.640273268411E+03 -0.47755E-03 -0.48587E-02 800 0.353E-01 0.379E-01
DAV: 4 -0.640270533377E+03 0.27350E-02 -0.20308E-02 800 0.195E-01 0.242E-01
DAV: 5 -0.640270347130E+03 0.18625E-03 -0.84549E-03 856 0.120E-01 0.169E-01
DAV: 6 -0.640269964540E+03 0.38259E-03 -0.27388E-03 824 0.840E-02 0.742E-02
DAV: 7 -0.640270036592E+03 -0.72051E-04 -0.71582E-04 776 0.361E-02 0.438E-02
DAV: 8 -0.640270010706E+03 0.25885E-04 -0.24115E-04 792 0.207E-02 0.237E-02
DAV: 9 -0.640270013947E+03 -0.32412E-05 -0.84216E-05 576 0.112E-02
30 F= -.64027001E+03 E0= -.64027221E+03 d E =-.160845E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.640325780543E+03 -0.55770E-01 -0.28941E+00 672 0.167E+00 0.476E-01
DAV: 2 -0.640334427790E+03 -0.86472E-02 -0.10704E-01 784 0.446E-01 0.215E-01
DAV: 3 -0.640334648395E+03 -0.22060E-03 -0.13007E-02 824 0.181E-01 0.193E-01
DAV: 4 -0.640333992697E+03 0.65570E-03 -0.48099E-03 816 0.920E-02 0.123E-01
DAV: 5 -0.640333919775E+03 0.72922E-04 -0.13984E-03 832 0.544E-02 0.877E-02
DAV: 6 -0.640333883256E+03 0.36519E-04 -0.54888E-04 792 0.375E-02 0.424E-02
DAV: 7 -0.640333914249E+03 -0.30993E-04 -0.22589E-04 800 0.194E-02 0.239E-02
DAV: 8 -0.640333902524E+03 0.11725E-04 -0.99699E-05 576 0.121E-02 0.116E-02
DAV: 9 -0.640333904661E+03 -0.21369E-05 -0.31574E-05 424 0.624E-03
31 F= -.64033390E+03 E0= -.64033638E+03 d E =-.638907E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.640351513711E+03 -0.17611E-01 -0.15408E+01 672 0.389E+00 0.112E+00
DAV: 2 -0.640401475905E+03 -0.49962E-01 -0.59078E-01 784 0.101E+00 0.468E-01
DAV: 3 -0.640402269079E+03 -0.79317E-03 -0.45580E-02 800 0.333E-01 0.402E-01
DAV: 4 -0.640400453888E+03 0.18152E-02 -0.21031E-02 784 0.180E-01 0.281E-01
DAV: 5 -0.640400077759E+03 0.37613E-03 -0.76506E-03 808 0.118E-01 0.179E-01
DAV: 6 -0.640399775772E+03 0.30199E-03 -0.32244E-03 824 0.918E-02 0.780E-02
DAV: 7 -0.640399830622E+03 -0.54850E-04 -0.11152E-03 784 0.457E-02 0.459E-02
DAV: 8 -0.640399778858E+03 0.51764E-04 -0.32475E-04 816 0.253E-02 0.236E-02
DAV: 9 -0.640399783270E+03 -0.44116E-05 -0.86442E-05 720 0.115E-02
32 F= -.64039978E+03 E0= -.64040331E+03 d E =-.129769E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.640453070273E+03 -0.53291E-01 -0.67253E+00 664 0.241E+00 0.637E-01
DAV: 2 -0.640474699026E+03 -0.21629E-01 -0.23105E-01 824 0.589E-01 0.264E-01
DAV: 3 -0.640474512854E+03 0.18617E-03 -0.81885E-03 872 0.136E-01 0.204E-01
DAV: 4 -0.640474806743E+03 -0.29389E-03 -0.56114E-03 864 0.760E-02 0.178E-01
DAV: 5 -0.640474322347E+03 0.48440E-03 -0.36142E-03 840 0.607E-02 0.714E-02
DAV: 6 -0.640474358068E+03 -0.35722E-04 -0.93799E-04 808 0.378E-02 0.418E-02
DAV: 7 -0.640474326822E+03 0.31246E-04 -0.23109E-04 800 0.217E-02 0.241E-02
DAV: 8 -0.640474327072E+03 -0.24934E-06 -0.36771E-05 544 0.939E-03
33 F= -.64047433E+03 E0= -.64047837E+03 d E =-.745438E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.640463721192E+03 0.10606E-01 -0.18818E+01 656 0.406E+00 0.109E+00
DAV: 2 -0.640527970376E+03 -0.64249E-01 -0.68588E-01 824 0.986E-01 0.445E-01
DAV: 3 -0.640527045246E+03 0.92513E-03 -0.20084E-02 864 0.226E-01 0.324E-01
DAV: 4 -0.640527976024E+03 -0.93078E-03 -0.11667E-02 864 0.122E-01 0.268E-01
DAV: 5 -0.640526915778E+03 0.10602E-02 -0.10450E-02 840 0.104E-01 0.130E-01
DAV: 6 -0.640526815977E+03 0.99801E-04 -0.29972E-03 832 0.653E-02 0.662E-02
DAV: 7 -0.640526751994E+03 0.63983E-04 -0.60299E-04 800 0.378E-02 0.422E-02
DAV: 8 -0.640526757002E+03 -0.50080E-05 -0.16915E-04 832 0.180E-02 0.344E-02
DAV: 9 -0.640526752560E+03 0.44416E-05 -0.11872E-04 728 0.133E-02 0.184E-02
DAV: 10 -0.640526753723E+03 -0.11628E-05 -0.51239E-05 488 0.859E-03
34 F= -.64052675E+03 E0= -.64053140E+03 d E =-.126970E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.640557099429E+03 -0.30347E-01 -0.98917E+00 656 0.312E+00 0.840E-01
DAV: 2 -0.640592956082E+03 -0.35857E-01 -0.38161E-01 816 0.795E-01 0.351E-01
DAV: 3 -0.640592273011E+03 0.68307E-03 -0.12978E-02 904 0.178E-01 0.257E-01
DAV: 4 -0.640592517901E+03 -0.24489E-03 -0.40484E-03 840 0.828E-02 0.180E-01
DAV: 5 -0.640592179814E+03 0.33809E-03 -0.44528E-03 832 0.760E-02 0.973E-02
DAV: 6 -0.640592137354E+03 0.42460E-04 -0.20945E-03 816 0.491E-02 0.628E-02
DAV: 7 -0.640592044251E+03 0.93103E-04 -0.55182E-04 800 0.287E-02 0.322E-02
DAV: 8 -0.640592042637E+03 0.16134E-05 -0.83525E-05 672 0.124E-02
35 F= -.64059204E+03 E0= -.64059744E+03 d E =-.652889E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.640592851030E+03 -0.80678E-03 -0.13967E+00 656 0.117E+00 0.313E-01
DAV: 2 -0.640597759979E+03 -0.49089E-02 -0.52004E-02 816 0.299E-01 0.130E-01
DAV: 3 -0.640597691785E+03 0.68194E-04 -0.20609E-03 880 0.675E-02 0.993E-02
DAV: 4 -0.640597774224E+03 -0.82440E-04 -0.14409E-03 864 0.384E-02 0.879E-02
DAV: 5 -0.640597648598E+03 0.12563E-03 -0.99492E-04 824 0.315E-02 0.342E-02
DAV: 6 -0.640597663755E+03 -0.15157E-04 -0.21830E-04 800 0.179E-02 0.220E-02
DAV: 7 -0.640597655851E+03 0.79036E-05 -0.50829E-05 568 0.993E-03
36 F= -.64059766E+03 E0= -.64060340E+03 d E =-.709021E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.640619010055E+03 -0.21346E-01 -0.63390E+00 664 0.252E+00 0.683E-01
DAV: 2 -0.640639723561E+03 -0.20714E-01 -0.23247E-01 816 0.628E-01 0.289E-01
DAV: 3 -0.640639413377E+03 0.31018E-03 -0.10151E-02 784 0.166E-01 0.215E-01
DAV: 4 -0.640639530683E+03 -0.11731E-03 -0.51747E-03 832 0.955E-02 0.169E-01
DAV: 5 -0.640639400154E+03 0.13053E-03 -0.45062E-03 808 0.712E-02 0.107E-01
DAV: 6 -0.640639215621E+03 0.18453E-03 -0.17348E-03 840 0.531E-02 0.435E-02
DAV: 7 -0.640639207546E+03 0.80756E-05 -0.34331E-04 776 0.271E-02 0.267E-02
DAV: 8 -0.640639198211E+03 0.93350E-05 -0.93540E-05 664 0.140E-02
37 F= -.64063920E+03 E0= -.64064576E+03 d E =-.415424E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.640639731113E+03 -0.52357E-03 -0.12410E+00 656 0.112E+00 0.301E-01
DAV: 2 -0.640643819331E+03 -0.40882E-02 -0.45109E-02 824 0.278E-01 0.129E-01
DAV: 3 -0.640643830397E+03 -0.11066E-04 -0.24549E-03 816 0.749E-02 0.107E-01
DAV: 4 -0.640643764605E+03 0.65791E-04 -0.14024E-03 808 0.438E-02 0.806E-02
DAV: 5 -0.640643732716E+03 0.31890E-04 -0.59682E-04 808 0.303E-02 0.427E-02
DAV: 6 -0.640643723017E+03 0.96990E-05 -0.23403E-04 800 0.236E-02 0.207E-02
DAV: 7 -0.640643724178E+03 -0.11617E-05 -0.77509E-05 608 0.123E-02
38 F= -.64064372E+03 E0= -.64065058E+03 d E =-.460683E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.640656316984E+03 -0.12594E-01 -0.31053E+00 672 0.177E+00 0.503E-01
DAV: 2 -0.640666879483E+03 -0.10562E-01 -0.11684E-01 816 0.454E-01 0.201E-01
DAV: 3 -0.640666677937E+03 0.20155E-03 -0.52071E-03 800 0.115E-01 0.149E-01
DAV: 4 -0.640666767037E+03 -0.89100E-04 -0.26662E-03 832 0.650E-02 0.122E-01
DAV: 5 -0.640666620885E+03 0.14615E-03 -0.20105E-03 792 0.500E-02 0.687E-02
DAV: 6 -0.640666566161E+03 0.54724E-04 -0.67955E-04 816 0.366E-02 0.303E-02
DAV: 7 -0.640666564067E+03 0.20941E-05 -0.17995E-04 792 0.186E-02 0.202E-02
DAV: 8 -0.640666560581E+03 0.34853E-05 -0.42887E-05 504 0.926E-03
39 F= -.64066656E+03 E0= -.64067367E+03 d E =-.228364E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.640666921256E+03 -0.35719E-03 -0.72019E-01 672 0.853E-01 0.244E-01
DAV: 2 -0.640669396582E+03 -0.24753E-02 -0.27068E-02 816 0.219E-01 0.985E-02
DAV: 3 -0.640669402914E+03 -0.63323E-05 -0.17211E-03 832 0.581E-02 0.827E-02
DAV: 4 -0.640669350159E+03 0.52755E-04 -0.10488E-03 816 0.342E-02 0.614E-02
DAV: 5 -0.640669325228E+03 0.24931E-04 -0.39536E-04 816 0.232E-02 0.294E-02
DAV: 6 -0.640669325631E+03 -0.40304E-06 -0.14097E-04 816 0.177E-02 0.164E-02
DAV: 7 -0.640669325749E+03 -0.11826E-06 -0.49005E-05 520 0.903E-03
40 F= -.64066933E+03 E0= -.64067646E+03 d E =-.256016E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.640675803524E+03 -0.64779E-02 -0.25679E+00 672 0.152E+00 0.415E-01
DAV: 2 -0.640683947258E+03 -0.81437E-02 -0.87986E-02 800 0.384E-01 0.166E-01
DAV: 3 -0.640683849623E+03 0.97636E-04 -0.34063E-03 896 0.871E-02 0.123E-01
DAV: 4 -0.640683936664E+03 -0.87041E-04 -0.11641E-03 880 0.409E-02 0.912E-02
DAV: 5 -0.640683845229E+03 0.91435E-04 -0.13329E-03 840 0.365E-02 0.499E-02
DAV: 6 -0.640683842278E+03 0.29509E-05 -0.52931E-04 840 0.242E-02 0.308E-02
DAV: 7 -0.640683818809E+03 0.23470E-04 -0.12736E-04 736 0.146E-02 0.147E-02
DAV: 8 -0.640683819133E+03 -0.32403E-06 -0.21490E-05 400 0.644E-03
41 F= -.64068382E+03 E0= -.64069104E+03 d E =-.144934E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.640683906177E+03 -0.87369E-04 -0.49828E-01 672 0.670E-01 0.182E-01
DAV: 2 -0.640685460316E+03 -0.15541E-02 -0.16733E-02 808 0.169E-01 0.732E-02
DAV: 3 -0.640685455735E+03 0.45814E-05 -0.73973E-04 888 0.389E-02 0.579E-02
DAV: 4 -0.640685469350E+03 -0.13615E-04 -0.42649E-04 856 0.217E-02 0.499E-02
DAV: 5 -0.640685435403E+03 0.33947E-04 -0.22640E-04 784 0.167E-02 0.194E-02
DAV: 6 -0.640685441738E+03 -0.63352E-05 -0.58482E-05 576 0.104E-02
42 F= -.64068544E+03 E0= -.64069264E+03 d E =-.161160E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.640688289068E+03 -0.28537E-02 -0.25319E+00 672 0.158E+00 0.421E-01
DAV: 2 -0.640696316775E+03 -0.80277E-02 -0.88500E-02 816 0.392E-01 0.174E-01
DAV: 3 -0.640696234264E+03 0.82511E-04 -0.37344E-03 864 0.888E-02 0.129E-01
DAV: 4 -0.640696385522E+03 -0.15126E-03 -0.21062E-03 856 0.484E-02 0.110E-01
DAV: 5 -0.640696193019E+03 0.19250E-03 -0.18057E-03 840 0.408E-02 0.507E-02
DAV: 6 -0.640696188386E+03 0.46336E-05 -0.47193E-04 824 0.262E-02 0.280E-02
DAV: 7 -0.640696173867E+03 0.14519E-04 -0.11978E-04 776 0.146E-02 0.156E-02
DAV: 8 -0.640696172701E+03 0.11663E-05 -0.23700E-05 416 0.670E-03
43 F= -.64069617E+03 E0= -.64070345E+03 d E =-.107310E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.640696190484E+03 -0.16617E-04 -0.30615E-02 680 0.174E-01 0.489E-02
DAV: 2 -0.640696299794E+03 -0.10931E-03 -0.11566E-03 832 0.449E-02 0.232E-02
DAV: 3 -0.640696308987E+03 -0.91930E-05 -0.15692E-04 664 0.148E-02 0.242E-02
DAV: 4 -0.640696293823E+03 0.15164E-04 -0.68579E-05 480 0.943E-03 0.119E-02
DAV: 5 -0.640696295768E+03 -0.19445E-05 -0.12778E-05 376 0.516E-03
44 F= -.64069630E+03 E0= -.64070356E+03 d E =-.108540E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.640698685412E+03 -0.23916E-02 -0.19040E+00 664 0.132E+00 0.342E-01
DAV: 2 -0.640704194040E+03 -0.55086E-02 -0.60626E-02 808 0.315E-01 0.146E-01
DAV: 3 -0.640704168935E+03 0.25105E-04 -0.24131E-03 880 0.720E-02 0.109E-01
DAV: 4 -0.640704270704E+03 -0.10177E-03 -0.12845E-03 864 0.385E-02 0.917E-02
DAV: 5 -0.640704151495E+03 0.11921E-03 -0.12086E-03 856 0.342E-02 0.443E-02
DAV: 6 -0.640704142319E+03 0.91760E-05 -0.36594E-04 840 0.220E-02 0.245E-02
DAV: 7 -0.640704129320E+03 0.12999E-04 -0.86719E-05 592 0.121E-02 0.130E-02
DAV: 8 -0.640704128836E+03 0.48411E-06 -0.16688E-05 400 0.570E-03
45 F= -.64070413E+03 E0= -.64071117E+03 d E =-.783307E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.640704082485E+03 0.46836E-04 -0.18617E-01 664 0.413E-01 0.108E-01
DAV: 2 -0.640704616059E+03 -0.53357E-03 -0.58158E-03 808 0.983E-02 0.460E-02
DAV: 3 -0.640704629763E+03 -0.13703E-04 -0.33167E-04 888 0.248E-02 0.393E-02
DAV: 4 -0.640704616542E+03 0.13221E-04 -0.18341E-04 640 0.147E-02 0.294E-02
DAV: 5 -0.640704610803E+03 0.57388E-05 -0.58106E-05 456 0.941E-03
46 F= -.64070461E+03 E0= -.64071159E+03 d E =-.831504E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.640705237490E+03 -0.62095E-03 -0.15213E+00 664 0.115E+00 0.302E-01
DAV: 2 -0.640709642696E+03 -0.44052E-02 -0.48459E-02 824 0.275E-01 0.127E-01
DAV: 3 -0.640709618388E+03 0.24309E-04 -0.19355E-03 832 0.652E-02 0.987E-02
DAV: 4 -0.640709621039E+03 -0.26520E-05 -0.63976E-04 832 0.340E-02 0.768E-02
DAV: 5 -0.640709598377E+03 0.22663E-04 -0.54422E-04 816 0.274E-02 0.433E-02
DAV: 6 -0.640709585173E+03 0.13204E-04 -0.40684E-04 840 0.216E-02 0.260E-02
DAV: 7 -0.640709568711E+03 0.16462E-04 -0.12060E-04 616 0.125E-02 0.101E-02
DAV: 8 -0.640709567761E+03 0.95071E-06 -0.13849E-05 392 0.586E-03
47 F= -.64070957E+03 E0= -.64071669E+03 d E =-.495696E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.640709560445E+03 0.82667E-05 -0.31768E-02 680 0.167E-01 0.455E-02
DAV: 2 -0.640709658387E+03 -0.97943E-04 -0.10515E-03 832 0.404E-02 0.207E-02
DAV: 3 -0.640709665079E+03 -0.66918E-05 -0.13186E-04 600 0.130E-02 0.213E-02
DAV: 4 -0.640709654112E+03 0.10967E-04 -0.60202E-05 456 0.834E-03 0.113E-02
DAV: 5 -0.640709654673E+03 -0.56060E-06 -0.10061E-05 376 0.457E-03
48 F= -.64070965E+03 E0= -.64071680E+03 d E =-.504387E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.640709754937E+03 -0.10083E-03 -0.13530E+00 672 0.107E+00 0.279E-01
DAV: 2 -0.640713533398E+03 -0.37785E-02 -0.41826E-02 824 0.248E-01 0.114E-01
DAV: 3 -0.640713493317E+03 0.40081E-04 -0.14312E-03 880 0.552E-02 0.860E-02
DAV: 4 -0.640713521691E+03 -0.28374E-04 -0.40856E-04 864 0.259E-02 0.622E-02
DAV: 5 -0.640713487571E+03 0.34120E-04 -0.43515E-04 848 0.234E-02 0.331E-02
DAV: 6 -0.640713489908E+03 -0.23366E-05 -0.25890E-04 816 0.168E-02 0.231E-02
DAV: 7 -0.640713473586E+03 0.16322E-04 -0.68139E-05 520 0.106E-02 0.921E-03
DAV: 8 -0.640713473589E+03 -0.35216E-08 -0.10216E-05 376 0.444E-03
49 F= -.64071347E+03 E0= -.64072080E+03 d E =-.381892E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.640713456391E+03 0.17195E-04 -0.36998E-02 696 0.176E-01 0.476E-02
DAV: 2 -0.640713558778E+03 -0.10239E-03 -0.11264E-03 816 0.412E-02 0.187E-02
DAV: 3 -0.640713559370E+03 -0.59170E-06 -0.50243E-05 608 0.997E-03
50 F= -.64071356E+03 E0= -.64072090E+03 d E =-.390470E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.640713318359E+03 0.24042E-03 -0.13692E+00 672 0.106E+00 0.258E-01
DAV: 2 -0.640717054197E+03 -0.37358E-02 -0.41337E-02 816 0.248E-01 0.115E-01
DAV: 3 -0.640717045326E+03 0.88714E-05 -0.14754E-03 856 0.561E-02 0.902E-02
DAV: 4 -0.640717106229E+03 -0.60903E-04 -0.87784E-04 872 0.311E-02 0.789E-02
DAV: 5 -0.640717016617E+03 0.89612E-04 -0.65367E-04 848 0.261E-02 0.342E-02
DAV: 6 -0.640717017643E+03 -0.10256E-05 -0.14829E-04 800 0.162E-02 0.166E-02
DAV: 7 -0.640717012496E+03 0.51468E-05 -0.39305E-05 512 0.902E-03
51 F= -.64071701E+03 E0= -.64072450E+03 d E =-.345313E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.640716945114E+03 0.72529E-04 -0.72951E-02 688 0.244E-01 0.626E-02
DAV: 2 -0.640717143890E+03 -0.19878E-03 -0.21619E-03 816 0.572E-02 0.273E-02
DAV: 3 -0.640717153808E+03 -0.99175E-05 -0.15909E-04 800 0.163E-02 0.258E-02
DAV: 4 -0.640717142161E+03 0.11647E-04 -0.77692E-05 496 0.997E-03 0.161E-02
DAV: 5 -0.640717141504E+03 0.65628E-06 -0.13097E-05 392 0.514E-03
52 F= -.64071714E+03 E0= -.64072465E+03 d E =-.358213E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.640716276102E+03 0.86606E-03 -0.13654E+00 680 0.107E+00 0.266E-01
DAV: 2 -0.640719839813E+03 -0.35637E-02 -0.40340E-02 808 0.246E-01 0.114E-01
DAV: 3 -0.640719858559E+03 -0.18745E-04 -0.16960E-03 840 0.595E-02 0.892E-02
DAV: 4 -0.640719879315E+03 -0.20756E-04 -0.90300E-04 832 0.331E-02 0.756E-02
DAV: 5 -0.640719813502E+03 0.65812E-04 -0.48504E-04 816 0.248E-02 0.362E-02
DAV: 6 -0.640719817032E+03 -0.35296E-05 -0.14831E-04 800 0.174E-02 0.206E-02
DAV: 7 -0.640719807701E+03 0.93313E-05 -0.52617E-05 560 0.106E-02
53 F= -.64071981E+03 E0= -.64072734E+03 d E =-.266620E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.640719798873E+03 0.18159E-04 -0.68522E-03 688 0.758E-02 0.237E-02
DAV: 2 -0.640719820227E+03 -0.21354E-04 -0.23141E-04 824 0.187E-02 0.131E-02
DAV: 3 -0.640719822335E+03 -0.21079E-05 -0.55967E-05 456 0.800E-03
54 F= -.64071982E+03 E0= -.64072736E+03 d E =-.268083E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.640718855232E+03 0.96499E-03 -0.10983E+00 680 0.902E-01 0.226E-01
DAV: 2 -0.640721610746E+03 -0.27555E-02 -0.31347E-02 792 0.214E-01 0.973E-02
DAV: 3 -0.640721641015E+03 -0.30269E-04 -0.12249E-03 840 0.506E-02 0.769E-02
DAV: 4 -0.640721655698E+03 -0.14683E-04 -0.60103E-04 840 0.273E-02 0.665E-02
DAV: 5 -0.640721599914E+03 0.55784E-04 -0.32954E-04 808 0.209E-02 0.287E-02
DAV: 6 -0.640721605328E+03 -0.54141E-05 -0.10017E-04 776 0.131E-02 0.157E-02
DAV: 7 -0.640721600006E+03 0.53221E-05 -0.23531E-05 424 0.727E-03
55 F= -.64072160E+03 E0= -.64072920E+03 d E =-.177767E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.640721599546E+03 0.57818E-05 -0.42001E-04 704 0.184E-02 0.894E-03
DAV: 2 -0.640721601450E+03 -0.19033E-05 -0.20137E-05 392 0.585E-03
56 F= -.64072160E+03 E0= -.64072920E+03 d E =-.177911E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.640721751065E+03 -0.15152E-03 -0.38192E-01 672 0.635E-01 0.164E-01
DAV: 2 -0.640722820242E+03 -0.10692E-02 -0.13075E-02 800 0.154E-01 0.712E-02
DAV: 3 -0.640722828526E+03 -0.82835E-05 -0.64592E-04 840 0.362E-02 0.521E-02
DAV: 4 -0.640722846010E+03 -0.17484E-04 -0.27792E-04 856 0.185E-02 0.433E-02
DAV: 5 -0.640722822783E+03 0.23227E-04 -0.26057E-04 704 0.161E-02 0.225E-02
DAV: 6 -0.640722820920E+03 0.18633E-05 -0.79491E-05 520 0.109E-02
57 F= -.64072282E+03 E0= -.64073037E+03 d E =-.121947E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.640722812078E+03 0.10705E-04 -0.41025E-03 680 0.664E-02 0.203E-02
DAV: 2 -0.640722825140E+03 -0.13062E-04 -0.15671E-04 824 0.167E-02 0.949E-03
DAV: 3 -0.640722826287E+03 -0.11478E-05 -0.16524E-05 408 0.539E-03
58 F= -.64072283E+03 E0= -.64073039E+03 d E =-.122484E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.640723020348E+03 -0.19521E-03 -0.35534E-01 664 0.621E-01 0.165E-01
DAV: 2 -0.640723873726E+03 -0.85338E-03 -0.11937E-02 800 0.154E-01 0.738E-02
DAV: 3 -0.640723888741E+03 -0.15015E-04 -0.67532E-04 808 0.374E-02 0.514E-02
DAV: 4 -0.640723905787E+03 -0.17047E-04 -0.24281E-04 872 0.189E-02 0.418E-02
DAV: 5 -0.640723886427E+03 0.19360E-04 -0.24657E-04 712 0.166E-02 0.236E-02
DAV: 6 -0.640723881909E+03 0.45187E-05 -0.81314E-05 536 0.109E-02
59 F= -.64072388E+03 E0= -.64073129E+03 d E =-.105562E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.640723873231E+03 0.13196E-04 -0.62266E-03 672 0.827E-02 0.236E-02
DAV: 2 -0.640723890679E+03 -0.17448E-04 -0.22879E-04 808 0.210E-02 0.120E-02
DAV: 3 -0.640723893198E+03 -0.25188E-05 -0.38943E-05 448 0.752E-03
60 F= -.64072389E+03 E0= -.64073131E+03 d E =-.106691E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.640724420701E+03 -0.53002E-03 -0.28027E-01 656 0.595E-01 0.159E-01
DAV: 2 -0.640724985394E+03 -0.56469E-03 -0.99578E-03 784 0.143E-01 0.744E-02
DAV: 3 -0.640725015338E+03 -0.29944E-04 -0.73951E-04 784 0.388E-02 0.514E-02
DAV: 4 -0.640725033703E+03 -0.18365E-04 -0.32272E-04 864 0.219E-02 0.448E-02
DAV: 5 -0.640725005702E+03 0.28001E-04 -0.22915E-04 720 0.169E-02 0.230E-02
DAV: 6 -0.640725005069E+03 0.63300E-06 -0.71127E-05 560 0.111E-02
61 F= -.64072501E+03 E0= -.64073243E+03 d E =-.111187E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.640724993324E+03 0.12378E-04 -0.38446E-02 656 0.221E-01 0.595E-02
DAV: 2 -0.640725075743E+03 -0.82419E-04 -0.14016E-03 792 0.535E-02 0.291E-02
DAV: 3 -0.640725088803E+03 -0.13061E-04 -0.19328E-04 800 0.175E-02 0.249E-02
DAV: 4 -0.640725079572E+03 0.92317E-05 -0.99221E-05 528 0.107E-02
62 F= -.64072508E+03 E0= -.64073257E+03 d E =-.118637E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.640725713699E+03 -0.62490E-03 -0.17075E-01 656 0.436E-01 0.113E-01
DAV: 2 -0.640726031747E+03 -0.31805E-03 -0.55752E-03 800 0.105E-01 0.570E-02
DAV: 3 -0.640726063921E+03 -0.32174E-04 -0.50237E-04 792 0.307E-02 0.451E-02
DAV: 4 -0.640726047782E+03 0.16139E-04 -0.27390E-04 752 0.188E-02 0.339E-02
DAV: 5 -0.640726036187E+03 0.11596E-04 -0.86810E-05 584 0.116E-02 0.149E-02
DAV: 6 -0.640726039255E+03 -0.30683E-05 -0.28945E-05 448 0.846E-03
63 F= -.64072604E+03 E0= -.64073353E+03 d E =-.959683E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.640725551571E+03 0.48462E-03 -0.63092E-01 664 0.838E-01 0.216E-01
DAV: 2 -0.640726711615E+03 -0.11600E-02 -0.20611E-02 792 0.203E-01 0.103E-01
DAV: 3 -0.640726791338E+03 -0.79724E-04 -0.15902E-03 792 0.576E-02 0.746E-02
DAV: 4 -0.640726788594E+03 0.27443E-05 -0.77302E-04 832 0.333E-02 0.623E-02
DAV: 5 -0.640726739361E+03 0.49233E-04 -0.38367E-04 824 0.223E-02 0.320E-02
DAV: 6 -0.640726740303E+03 -0.94173E-06 -0.11455E-04 800 0.153E-02 0.167E-02
DAV: 7 -0.640726736355E+03 0.39485E-05 -0.28924E-05 512 0.848E-03
64 F= -.64072674E+03 E0= -.64073427E+03 d E =-.165678E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.640727532839E+03 -0.79254E-03 -0.15799E-01 664 0.439E-01 0.114E-01
DAV: 2 -0.640727754017E+03 -0.22118E-03 -0.53916E-03 784 0.106E-01 0.560E-02
DAV: 3 -0.640727779601E+03 -0.25584E-04 -0.47253E-04 784 0.312E-02 0.390E-02
DAV: 4 -0.640727782042E+03 -0.24411E-05 -0.21313E-04 776 0.179E-02 0.331E-02
DAV: 5 -0.640727768830E+03 0.13212E-04 -0.10988E-04 568 0.120E-02 0.181E-02
DAV: 6 -0.640727769992E+03 -0.11620E-05 -0.39336E-05 480 0.884E-03
65 F= -.64072777E+03 E0= -.64073527E+03 d E =-.103364E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.640727356801E+03 0.41203E-03 -0.14215E+00 664 0.131E+00 0.348E-01
DAV: 2 -0.640729304251E+03 -0.19475E-02 -0.49190E-02 784 0.321E-01 0.169E-01
DAV: 3 -0.640729519887E+03 -0.21564E-03 -0.45498E-03 776 0.985E-02 0.121E-01
DAV: 4 -0.640729477602E+03 0.42285E-04 -0.21049E-03 840 0.563E-02 0.993E-02
DAV: 5 -0.640729358081E+03 0.11952E-03 -0.10212E-03 792 0.363E-02 0.549E-02
DAV: 6 -0.640729352674E+03 0.54068E-05 -0.32585E-04 800 0.255E-02 0.279E-02
DAV: 7 -0.640729345962E+03 0.67118E-05 -0.86006E-05 752 0.138E-02
66 F= -.64072935E+03 E0= -.64073680E+03 d E =-.260961E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.640730325871E+03 -0.97320E-03 -0.98095E-02 664 0.350E-01 0.942E-02
DAV: 2 -0.640730387866E+03 -0.61995E-04 -0.33912E-03 784 0.860E-02 0.474E-02
DAV: 3 -0.640730412234E+03 -0.24368E-04 -0.36892E-04 784 0.275E-02 0.320E-02
DAV: 4 -0.640730412795E+03 -0.56097E-06 -0.14311E-04 752 0.152E-02 0.264E-02
DAV: 5 -0.640730407366E+03 0.54292E-05 -0.66743E-05 504 0.974E-03
67 F= -.64073041E+03 E0= -.64073786E+03 d E =-.106140E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.640733029671E+03 -0.26169E-02 -0.88159E-01 664 0.105E+00 0.286E-01
DAV: 2 -0.640733507684E+03 -0.47801E-03 -0.30357E-02 776 0.257E-01 0.142E-01
DAV: 3 -0.640733642996E+03 -0.13531E-03 -0.30979E-03 784 0.831E-02 0.940E-02
DAV: 4 -0.640733631183E+03 0.11813E-04 -0.10264E-03 856 0.443E-02 0.766E-02
DAV: 5 -0.640733583563E+03 0.47620E-04 -0.66751E-04 792 0.292E-02 0.493E-02
DAV: 6 -0.640733568527E+03 0.15036E-04 -0.28731E-04 800 0.214E-02 0.244E-02
DAV: 7 -0.640733568637E+03 -0.10982E-06 -0.74499E-05 608 0.119E-02
68 F= -.64073357E+03 E0= -.64074091E+03 d E =-.422268E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.640737561128E+03 -0.39926E-02 -0.35334E+00 664 0.210E+00 0.574E-01
DAV: 2 -0.640739869675E+03 -0.23085E-02 -0.12431E-01 784 0.517E-01 0.280E-01
DAV: 3 -0.640740507012E+03 -0.63734E-03 -0.12777E-02 792 0.169E-01 0.193E-01
DAV: 4 -0.640740349700E+03 0.15731E-03 -0.48574E-03 848 0.933E-02 0.156E-01
DAV: 5 -0.640740102043E+03 0.24766E-03 -0.25457E-03 792 0.581E-02 0.959E-02
DAV: 6 -0.640740062269E+03 0.39774E-04 -0.93370E-04 800 0.424E-02 0.469E-02
DAV: 7 -0.640740069253E+03 -0.69841E-05 -0.31426E-04 744 0.239E-02 0.230E-02
DAV: 8 -0.640740069509E+03 -0.25619E-06 -0.12747E-04 632 0.125E-02 0.161E-02
DAV: 9 -0.640740077304E+03 -0.77952E-05 -0.29435E-05 448 0.684E-03
69 F= -.64074008E+03 E0= -.64074729E+03 d E =-.107313E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.640731510551E+03 0.85590E-02 -0.14189E+01 664 0.421E+00 0.115E+00
DAV: 2 -0.640747949675E+03 -0.16439E-01 -0.52190E-01 784 0.103E+00 0.541E-01
DAV: 3 -0.640750350661E+03 -0.24010E-02 -0.46384E-02 784 0.325E-01 0.386E-01
DAV: 4 -0.640749730354E+03 0.62031E-03 -0.16839E-02 848 0.179E-01 0.321E-01
DAV: 5 -0.640748956347E+03 0.77401E-03 -0.96985E-03 808 0.111E-01 0.219E-01
DAV: 6 -0.640748679128E+03 0.27722E-03 -0.43337E-03 784 0.852E-02 0.106E-01
DAV: 7 -0.640748694075E+03 -0.14947E-04 -0.11287E-03 760 0.494E-02 0.415E-02
DAV: 8 -0.640748713344E+03 -0.19268E-04 -0.33606E-04 832 0.234E-02 0.324E-02
DAV: 9 -0.640748730822E+03 -0.17479E-04 -0.13802E-04 624 0.132E-02 0.205E-02
DAV: 10 -0.640748749329E+03 -0.18507E-04 -0.57482E-05 488 0.865E-03 0.109E-02
DAV: 11 -0.640748774200E+03 -0.24872E-04 -0.16700E-05 456 0.563E-03 0.499E-03
DAV: 12 -0.640748788959E+03 -0.14759E-04 -0.46305E-06 392 0.334E-03 0.318E-03
DAV: 13 -0.640748803772E+03 -0.14813E-04 -0.20139E-06 416 0.208E-03 0.177E-03
DAV: 14 -0.640748820025E+03 -0.16252E-04 -0.16154E-06 408 0.145E-03 0.114E-03
DAV: 15 -0.640748832831E+03 -0.12806E-04 -0.11054E-06 424 0.108E-03 0.782E-04
DAV: 16 -0.640748841847E+03 -0.90155E-05 -0.67989E-07 368 0.815E-04
70 F= -.64074884E+03 E0= -.64075581E+03 d E =-.194959E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.640749316726E+03 -0.48389E-03 -0.26989E-02 656 0.185E-01 0.486E-02
DAV: 2 -0.640749349964E+03 -0.33238E-04 -0.97608E-04 792 0.451E-02 0.240E-02
DAV: 3 -0.640749353861E+03 -0.38973E-05 -0.86645E-05 760 0.146E-02
71 F= -.64074935E+03 E0= -.64075622E+03 d E =-.512014E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.640750299198E+03 -0.94923E-03 -0.24341E-01 664 0.554E-01 0.146E-01
DAV: 2 -0.640750595099E+03 -0.29590E-03 -0.87428E-03 784 0.135E-01 0.750E-02
DAV: 3 -0.640750628113E+03 -0.33014E-04 -0.88550E-04 792 0.422E-02 0.518E-02
DAV: 4 -0.640750621451E+03 0.66618E-05 -0.36493E-04 824 0.239E-02 0.407E-02
DAV: 5 -0.640750618697E+03 0.27546E-05 -0.21029E-04 736 0.167E-02 0.278E-02
DAV: 6 -0.640750606473E+03 0.12223E-04 -0.65273E-05 592 0.130E-02 0.966E-03
DAV: 7 -0.640750607720E+03 -0.12469E-05 -0.14769E-05 392 0.656E-03
72 F= -.64075061E+03 E0= -.64075756E+03 d E =-.176587E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.640750217964E+03 0.38851E-03 -0.97348E-01 656 0.111E+00 0.284E-01
DAV: 2 -0.640751751648E+03 -0.15337E-02 -0.35924E-02 792 0.271E-01 0.141E-01
DAV: 3 -0.640751876085E+03 -0.12444E-03 -0.29664E-03 792 0.845E-02 0.958E-02
DAV: 4 -0.640751843833E+03 0.32252E-04 -0.94896E-04 824 0.470E-02 0.753E-02
DAV: 5 -0.640751827245E+03 0.16588E-04 -0.77537E-04 824 0.312E-02 0.542E-02
DAV: 6 -0.640751787948E+03 0.39297E-04 -0.36678E-04 808 0.237E-02 0.215E-02
DAV: 7 -0.640751791441E+03 -0.34931E-05 -0.65256E-05 680 0.120E-02
73 F= -.64075179E+03 E0= -.64075873E+03 d E =-.294959E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.640753509835E+03 -0.17219E-02 -0.52845E-03 680 0.877E-02 0.258E-02
DAV: 2 -0.640753525247E+03 -0.15411E-04 -0.25664E-04 784 0.231E-02 0.133E-02
DAV: 3 -0.640753528687E+03 -0.34403E-05 -0.29549E-05 544 0.819E-03
74 F= -.64075353E+03 E0= -.64076042E+03 d E =-.173725E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.640758282469E+03 -0.47572E-02 -0.47483E-02 664 0.262E-01 0.788E-02
DAV: 2 -0.640758387934E+03 -0.10546E-03 -0.21294E-03 776 0.678E-02 0.387E-02
DAV: 3 -0.640758399333E+03 -0.11399E-04 -0.27954E-04 800 0.261E-02 0.314E-02
DAV: 4 -0.640758385476E+03 0.13857E-04 -0.13795E-04 664 0.151E-02 0.211E-02
DAV: 5 -0.640758383642E+03 0.18335E-05 -0.54561E-05 512 0.967E-03
75 F= -.64075838E+03 E0= -.64076532E+03 d E =-.659220E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.640766100013E+03 -0.77145E-02 -0.18890E-01 664 0.523E-01 0.154E-01
DAV: 2 -0.640766533802E+03 -0.43379E-03 -0.84942E-03 776 0.135E-01 0.714E-02
DAV: 3 -0.640766546541E+03 -0.12739E-04 -0.84409E-04 792 0.484E-02 0.483E-02
DAV: 4 -0.640766525397E+03 0.21144E-04 -0.24578E-04 792 0.261E-02 0.339E-02
DAV: 5 -0.640766534704E+03 -0.93070E-05 -0.20635E-04 808 0.167E-02 0.281E-02
DAV: 6 -0.640766520946E+03 0.13758E-04 -0.10243E-04 576 0.126E-02 0.102E-02
DAV: 7 -0.640766523751E+03 -0.28057E-05 -0.19898E-05 392 0.631E-03
76 F= -.64076652E+03 E0= -.64077324E+03 d E =-.147323E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.640774432057E+03 -0.79111E-02 -0.75819E-01 664 0.105E+00 0.304E-01
DAV: 2 -0.640776396328E+03 -0.19643E-02 -0.34426E-02 776 0.269E-01 0.137E-01
DAV: 3 -0.640776428775E+03 -0.32447E-04 -0.30683E-03 800 0.907E-02 0.910E-02
DAV: 4 -0.640776353469E+03 0.75306E-04 -0.75103E-04 768 0.488E-02 0.624E-02
DAV: 5 -0.640776395088E+03 -0.41619E-04 -0.58784E-04 824 0.310E-02 0.514E-02
DAV: 6 -0.640776344477E+03 0.50611E-04 -0.39344E-04 792 0.229E-02 0.221E-02
DAV: 7 -0.640776347154E+03 -0.26778E-05 -0.73882E-05 608 0.114E-02
77 F= -.64077635E+03 E0= -.64078285E+03 d E =-.245557E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.640759529653E+03 0.16815E-01 -0.30341E+00 664 0.211E+00 0.599E-01
DAV: 2 -0.640768850933E+03 -0.93213E-02 -0.14086E-01 792 0.535E-01 0.268E-01
DAV: 3 -0.640768875743E+03 -0.24810E-04 -0.11035E-02 800 0.167E-01 0.182E-01
DAV: 4 -0.640768684688E+03 0.19105E-03 -0.29105E-03 816 0.904E-02 0.131E-01
DAV: 5 -0.640768791558E+03 -0.10687E-03 -0.24019E-03 840 0.601E-02 0.101E-01
DAV: 6 -0.640768619770E+03 0.17179E-03 -0.17206E-03 840 0.458E-02 0.469E-02
DAV: 7 -0.640768620184E+03 -0.41325E-06 -0.37357E-04 824 0.246E-02 0.287E-02
DAV: 8 -0.640768605081E+03 0.15103E-04 -0.89482E-05 664 0.142E-02 0.145E-02
DAV: 9 -0.640768611435E+03 -0.63545E-05 -0.27966E-05 448 0.711E-03
78 F= -.64076861E+03 E0= -.64077485E+03 d E =-.168200E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.640773321062E+03 -0.47160E-02 -0.15443E+00 664 0.150E+00 0.434E-01
DAV: 2 -0.640778102926E+03 -0.47819E-02 -0.70540E-02 784 0.381E-01 0.193E-01
DAV: 3 -0.640778138276E+03 -0.35351E-04 -0.59967E-03 792 0.129E-01 0.134E-01
DAV: 4 -0.640778006405E+03 0.13187E-03 -0.16624E-03 800 0.703E-02 0.939E-02
DAV: 5 -0.640778109421E+03 -0.10302E-03 -0.14704E-03 848 0.463E-02 0.808E-02
DAV: 6 -0.640777962858E+03 0.14656E-03 -0.84340E-04 832 0.352E-02 0.284E-02
DAV: 7 -0.640777972170E+03 -0.93119E-05 -0.15568E-04 800 0.166E-02 0.197E-02
DAV: 8 -0.640777963509E+03 0.86615E-05 -0.39470E-05 496 0.923E-03
79 F= -.64077796E+03 E0= -.64078437E+03 d E =-.261721E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.640785777053E+03 -0.78049E-02 -0.10235E-01 656 0.402E-01 0.119E-01
DAV: 2 -0.640786041576E+03 -0.26452E-03 -0.48686E-03 792 0.101E-01 0.579E-02
DAV: 3 -0.640786054627E+03 -0.13051E-04 -0.76450E-04 800 0.400E-02 0.448E-02
DAV: 4 -0.640786025666E+03 0.28960E-04 -0.39780E-04 808 0.224E-02 0.310E-02
DAV: 5 -0.640786017986E+03 0.76801E-05 -0.14227E-04 640 0.139E-02 0.197E-02
DAV: 6 -0.640786014257E+03 0.37294E-05 -0.36841E-05 488 0.994E-03
80 F= -.64078601E+03 E0= -.64079233E+03 d E =-.805075E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.640799833031E+03 -0.13815E-01 -0.92050E-01 656 0.121E+00 0.356E-01
DAV: 2 -0.640802455829E+03 -0.26228E-02 -0.43813E-02 792 0.299E-01 0.166E-01
DAV: 3 -0.640802438998E+03 0.16831E-04 -0.42466E-03 784 0.105E-01 0.111E-01
DAV: 4 -0.640802357607E+03 0.81392E-04 -0.11701E-03 800 0.558E-02 0.764E-02
DAV: 5 -0.640802401889E+03 -0.44282E-04 -0.82610E-04 848 0.349E-02 0.565E-02
DAV: 6 -0.640802355752E+03 0.46137E-04 -0.54028E-04 832 0.253E-02 0.290E-02
DAV: 7 -0.640802355429E+03 0.32332E-06 -0.13700E-04 736 0.147E-02 0.175E-02
DAV: 8 -0.640802348065E+03 0.73642E-05 -0.35446E-05 488 0.884E-03
81 F= -.64080235E+03 E0= -.64080850E+03 d E =-.243846E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.640784875898E+03 0.17480E-01 -0.36822E+00 656 0.242E+00 0.718E-01
DAV: 2 -0.640797506133E+03 -0.12630E-01 -0.17944E-01 800 0.590E-01 0.328E-01
DAV: 3 -0.640797323268E+03 0.18287E-03 -0.14576E-02 824 0.186E-01 0.233E-01
DAV: 4 -0.640797139959E+03 0.18331E-03 -0.39684E-03 816 0.979E-02 0.171E-01
DAV: 5 -0.640797147672E+03 -0.77127E-05 -0.24672E-03 792 0.659E-02 0.109E-01
DAV: 6 -0.640797084807E+03 0.62865E-04 -0.18119E-03 864 0.529E-02 0.657E-02
DAV: 7 -0.640797028542E+03 0.56265E-04 -0.68935E-04 840 0.341E-02 0.359E-02
DAV: 8 -0.640796995360E+03 0.33182E-04 -0.14716E-04 800 0.185E-02 0.177E-02
DAV: 9 -0.640796999069E+03 -0.37092E-05 -0.35273E-05 536 0.808E-03
82 F= -.64079700E+03 E0= -.64080299E+03 d E =-.190356E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.640801932963E+03 -0.49376E-02 -0.13850E+00 656 0.148E+00 0.419E-01
DAV: 2 -0.640806704583E+03 -0.47716E-02 -0.66484E-02 800 0.363E-01 0.200E-01
DAV: 3 -0.640806689147E+03 0.15437E-04 -0.59272E-03 792 0.123E-01 0.140E-01
DAV: 4 -0.640806597307E+03 0.91840E-04 -0.23113E-03 816 0.685E-02 0.102E-01
DAV: 5 -0.640806649322E+03 -0.52015E-04 -0.20139E-03 864 0.466E-02 0.786E-02
DAV: 6 -0.640806535241E+03 0.11408E-03 -0.10040E-03 848 0.354E-02 0.316E-02
DAV: 7 -0.640806543513E+03 -0.82715E-05 -0.18519E-04 816 0.186E-02 0.210E-02
DAV: 8 -0.640806532546E+03 0.10967E-04 -0.50114E-05 568 0.109E-02 0.987E-03
DAV: 9 -0.640806533566E+03 -0.10195E-05 -0.16813E-05 400 0.550E-03
83 F= -.64080653E+03 E0= -.64081256E+03 d E =-.285701E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.640819131815E+03 -0.12599E-01 -0.36140E-01 656 0.760E-01 0.226E-01
DAV: 2 -0.640820211377E+03 -0.10796E-02 -0.16971E-02 792 0.180E-01 0.104E-01
DAV: 3 -0.640820184268E+03 0.27109E-04 -0.14165E-03 832 0.567E-02 0.720E-02
DAV: 4 -0.640820168261E+03 0.16007E-04 -0.33437E-04 800 0.300E-02 0.498E-02
DAV: 5 -0.640820162542E+03 0.57194E-05 -0.15109E-04 792 0.200E-02 0.255E-02
DAV: 6 -0.640820164281E+03 -0.17390E-05 -0.99765E-05 792 0.139E-02
84 F= -.64082016E+03 E0= -.64082586E+03 d E =-.136307E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.640825969299E+03 -0.58068E-02 -0.17880E+00 656 0.169E+00 0.512E-01
DAV: 2 -0.640832087081E+03 -0.61178E-02 -0.86566E-02 792 0.397E-01 0.233E-01
DAV: 3 -0.640831924976E+03 0.16210E-03 -0.66664E-03 864 0.116E-01 0.174E-01
DAV: 4 -0.640831933325E+03 -0.83492E-05 -0.18070E-03 824 0.584E-02 0.128E-01
DAV: 5 -0.640831944804E+03 -0.11479E-04 -0.20110E-03 816 0.484E-02 0.877E-02
DAV: 6 -0.640831861202E+03 0.83602E-04 -0.15645E-03 832 0.403E-02 0.426E-02
DAV: 7 -0.640831822565E+03 0.38637E-04 -0.37479E-04 816 0.243E-02 0.212E-02
DAV: 8 -0.640831816832E+03 0.57331E-05 -0.55634E-05 592 0.107E-02
85 F= -.64083182E+03 E0= -.64083697E+03 d E =-.252833E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.640842258673E+03 -0.10436E-01 -0.66203E-01 656 0.102E+00 0.298E-01
DAV: 2 -0.640844501397E+03 -0.22427E-02 -0.29816E-02 816 0.235E-01 0.139E-01
DAV: 3 -0.640844390646E+03 0.11075E-03 -0.19473E-03 848 0.653E-02 0.104E-01
DAV: 4 -0.640844426866E+03 -0.36220E-04 -0.77127E-04 840 0.379E-02 0.827E-02
DAV: 5 -0.640844368010E+03 0.58856E-04 -0.58594E-04 840 0.310E-02 0.502E-02
DAV: 6 -0.640844351985E+03 0.16025E-04 -0.37639E-04 848 0.238E-02 0.271E-02
DAV: 7 -0.640844335115E+03 0.16871E-04 -0.11391E-04 776 0.144E-02 0.118E-02
DAV: 8 -0.640844334159E+03 0.95559E-06 -0.17647E-05 416 0.623E-03
86 F= -.64084433E+03 E0= -.64084872E+03 d E =-.125173E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.640845992368E+03 -0.16573E-02 -0.28911E-01 656 0.674E-01 0.197E-01
DAV: 2 -0.640846993424E+03 -0.10011E-02 -0.13139E-02 816 0.155E-01 0.917E-02
DAV: 3 -0.640846954132E+03 0.39293E-04 -0.93149E-04 856 0.434E-02 0.698E-02
DAV: 4 -0.640846968889E+03 -0.14757E-04 -0.55886E-04 856 0.263E-02 0.573E-02
DAV: 5 -0.640846932375E+03 0.36514E-04 -0.38822E-04 848 0.206E-02 0.314E-02
DAV: 6 -0.640846930612E+03 0.17631E-05 -0.16232E-04 760 0.154E-02 0.175E-02
DAV: 7 -0.640846923355E+03 0.72568E-05 -0.48893E-05 512 0.968E-03
87 F= -.64084692E+03 E0= -.64085077E+03 d E =-.151065E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.640855358803E+03 -0.84282E-02 -0.30422E-01 664 0.691E-01 0.199E-01
DAV: 2 -0.640856613362E+03 -0.12546E-02 -0.14802E-02 816 0.167E-01 0.915E-02
DAV: 3 -0.640856559024E+03 0.54338E-04 -0.82018E-04 880 0.421E-02 0.635E-02
DAV: 4 -0.640856589438E+03 -0.30414E-04 -0.36528E-04 856 0.222E-02 0.483E-02
DAV: 5 -0.640856558481E+03 0.30957E-04 -0.42699E-04 816 0.204E-02 0.271E-02
DAV: 6 -0.640856552420E+03 0.60612E-05 -0.13987E-04 648 0.130E-02 0.129E-02
DAV: 7 -0.640856549164E+03 0.32559E-05 -0.27990E-05 440 0.756E-03
88 F= -.64085655E+03 E0= -.64085987E+03 d E =-.962581E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.640859150092E+03 -0.25977E-02 -0.58092E-01 664 0.956E-01 0.278E-01
DAV: 2 -0.640861563361E+03 -0.24133E-02 -0.28367E-02 816 0.231E-01 0.127E-01
DAV: 3 -0.640861469992E+03 0.93369E-04 -0.16269E-03 880 0.594E-02 0.900E-02
DAV: 4 -0.640861553592E+03 -0.83601E-04 -0.94000E-04 856 0.350E-02 0.778E-02
DAV: 5 -0.640861441741E+03 0.11185E-03 -0.76916E-04 840 0.299E-02 0.351E-02
DAV: 6 -0.640861446306E+03 -0.45651E-05 -0.23970E-04 832 0.187E-02 0.215E-02
DAV: 7 -0.640861434235E+03 0.12071E-04 -0.64623E-05 576 0.111E-02 0.103E-02
DAV: 8 -0.640861434405E+03 -0.16986E-06 -0.11888E-05 392 0.508E-03
89 F= -.64086143E+03 E0= -.64086401E+03 d E =-.145110E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.640867488750E+03 -0.60545E-02 -0.22405E-01 664 0.585E-01 0.159E-01
DAV: 2 -0.640868412425E+03 -0.92367E-03 -0.10657E-02 816 0.141E-01 0.779E-02
DAV: 3 -0.640868405984E+03 0.64409E-05 -0.67472E-04 880 0.378E-02 0.621E-02
DAV: 4 -0.640868403721E+03 0.22627E-05 -0.39635E-04 856 0.238E-02 0.502E-02
DAV: 5 -0.640868369951E+03 0.33770E-04 -0.16852E-04 816 0.167E-02 0.192E-02
DAV: 6 -0.640868375275E+03 -0.53239E-05 -0.73484E-05 600 0.110E-02
90 F= -.64086838E+03 E0= -.64087051E+03 d E =-.694087E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.640870321627E+03 -0.19517E-02 -0.10564E+00 664 0.127E+00 0.351E-01
DAV: 2 -0.640874659493E+03 -0.43379E-02 -0.50128E-02 816 0.306E-01 0.168E-01
DAV: 3 -0.640874575845E+03 0.83649E-04 -0.30151E-03 880 0.789E-02 0.128E-01
DAV: 4 -0.640874664267E+03 -0.88422E-04 -0.19825E-03 856 0.493E-02 0.110E-01
DAV: 5 -0.640874468242E+03 0.19602E-03 -0.11020E-03 824 0.383E-02 0.447E-02
DAV: 6 -0.640874482556E+03 -0.14313E-04 -0.37232E-04 808 0.248E-02 0.280E-02
DAV: 7 -0.640874463515E+03 0.19041E-04 -0.12103E-04 720 0.147E-02 0.145E-02
DAV: 8 -0.640874462821E+03 0.69371E-06 -0.20853E-05 408 0.626E-03
91 F= -.64087446E+03 E0= -.64087567E+03 d E =-.130284E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.640878441349E+03 -0.39778E-02 -0.29512E-01 664 0.649E-01 0.182E-01
DAV: 2 -0.640879700500E+03 -0.12592E-02 -0.14080E-02 816 0.164E-01 0.819E-02
DAV: 3 -0.640879673235E+03 0.27266E-04 -0.74886E-04 864 0.400E-02 0.603E-02
DAV: 4 -0.640879707857E+03 -0.34622E-04 -0.43305E-04 848 0.245E-02 0.549E-02
DAV: 5 -0.640879648504E+03 0.59353E-04 -0.25211E-04 832 0.196E-02 0.179E-02
DAV: 6 -0.640879654511E+03 -0.60073E-05 -0.58424E-05 696 0.108E-02
92 F= -.64087965E+03 E0= -.64088042E+03 d E =-.519169E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.640880119033E+03 -0.47053E-03 -0.18850E-01 664 0.520E-01 0.148E-01
DAV: 2 -0.640880930705E+03 -0.81167E-03 -0.90154E-03 816 0.131E-01 0.656E-02
DAV: 3 -0.640880915306E+03 0.15399E-04 -0.49355E-04 864 0.321E-02 0.472E-02
DAV: 4 -0.640880937343E+03 -0.22037E-04 -0.33881E-04 792 0.197E-02 0.422E-02
DAV: 5 -0.640880905138E+03 0.32205E-04 -0.22892E-04 728 0.162E-02 0.160E-02
DAV: 6 -0.640880906587E+03 -0.14487E-05 -0.42631E-05 512 0.991E-03
93 F= -.64088091E+03 E0= -.64088134E+03 d E =-.644377E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.640883300761E+03 -0.23956E-02 -0.22196E-01 664 0.510E-01 0.134E-01
DAV: 2 -0.640884055371E+03 -0.75461E-03 -0.83280E-03 816 0.125E-01 0.599E-02
DAV: 3 -0.640884051694E+03 0.36770E-05 -0.39731E-04 872 0.295E-02 0.444E-02
DAV: 4 -0.640884065343E+03 -0.13649E-04 -0.22602E-04 744 0.183E-02 0.389E-02
DAV: 5 -0.640884041495E+03 0.23848E-04 -0.13745E-04 648 0.146E-02 0.151E-02
DAV: 6 -0.640884040880E+03 0.61570E-06 -0.45377E-05 496 0.989E-03
94 F= -.64088404E+03 E0= -.64088421E+03 d E =-.313429E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.640884252471E+03 -0.21098E-03 -0.32144E-01 664 0.613E-01 0.163E-01
DAV: 2 -0.640885346614E+03 -0.10941E-02 -0.12050E-02 816 0.150E-01 0.716E-02
DAV: 3 -0.640885336281E+03 0.10333E-04 -0.53219E-04 864 0.345E-02 0.506E-02
DAV: 4 -0.640885368910E+03 -0.32629E-04 -0.30306E-04 848 0.211E-02 0.456E-02
DAV: 5 -0.640885330012E+03 0.38898E-04 -0.23769E-04 712 0.178E-02 0.181E-02
DAV: 6 -0.640885327331E+03 0.26810E-05 -0.52380E-05 552 0.112E-02
95 F= -.64088533E+03 E0= -.64088514E+03 d E =-.442074E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.640887279683E+03 -0.19497E-02 -0.27557E-01 664 0.568E-01 0.144E-01
DAV: 2 -0.640888181715E+03 -0.90203E-03 -0.99253E-03 824 0.136E-01 0.672E-02
DAV: 3 -0.640888171679E+03 0.10037E-04 -0.42290E-04 888 0.304E-02 0.464E-02
DAV: 4 -0.640888207670E+03 -0.35991E-04 -0.28247E-04 816 0.190E-02 0.428E-02
DAV: 5 -0.640888165325E+03 0.42344E-04 -0.22383E-04 696 0.163E-02 0.149E-02
DAV: 6 -0.640888165392E+03 -0.66233E-07 -0.44725E-05 504 0.938E-03
96 F= -.64088817E+03 E0= -.64088785E+03 d E =-.283806E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.640888191750E+03 -0.26425E-04 -0.27005E-01 664 0.563E-01 0.145E-01
DAV: 2 -0.640889083429E+03 -0.89168E-03 -0.97520E-03 824 0.135E-01 0.664E-02
DAV: 3 -0.640889076121E+03 0.73084E-05 -0.42015E-04 888 0.299E-02 0.452E-02
DAV: 4 -0.640889111019E+03 -0.34899E-04 -0.29509E-04 744 0.183E-02 0.415E-02
DAV: 5 -0.640889070274E+03 0.40746E-04 -0.24924E-04 656 0.164E-02 0.142E-02
DAV: 6 -0.640889069608E+03 0.66563E-06 -0.37703E-05 472 0.876E-03
97 F= -.64088907E+03 E0= -.64088857E+03 d E =-.374228E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.640890622660E+03 -0.15524E-02 -0.25075E-01 656 0.566E-01 0.145E-01
DAV: 2 -0.640891465757E+03 -0.84310E-03 -0.93068E-03 824 0.134E-01 0.690E-02
DAV: 3 -0.640891451216E+03 0.14541E-04 -0.38599E-04 896 0.294E-02 0.463E-02
DAV: 4 -0.640891483755E+03 -0.32539E-04 -0.23912E-04 816 0.185E-02 0.401E-02
DAV: 5 -0.640891445505E+03 0.38251E-04 -0.20809E-04 688 0.165E-02 0.151E-02
DAV: 6 -0.640891444024E+03 0.14807E-05 -0.55296E-05 480 0.903E-03
98 F= -.64089144E+03 E0= -.64089104E+03 d E =-.237442E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.640891459328E+03 -0.13823E-04 -0.18733E-01 656 0.490E-01 0.127E-01
DAV: 2 -0.640892096503E+03 -0.63718E-03 -0.69863E-03 824 0.116E-01 0.598E-02
DAV: 3 -0.640892089140E+03 0.73629E-05 -0.30136E-04 888 0.260E-02 0.403E-02
DAV: 4 -0.640892115920E+03 -0.26779E-04 -0.22218E-04 728 0.169E-02 0.374E-02
DAV: 5 -0.640892083547E+03 0.32372E-04 -0.17058E-04 632 0.147E-02 0.134E-02
DAV: 6 -0.640892081861E+03 0.16862E-05 -0.32170E-05 480 0.835E-03
99 F= -.64089208E+03 E0= -.64089174E+03 d E =-.301225E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.640893187735E+03 -0.11042E-02 -0.38855E-01 656 0.670E-01 0.164E-01
DAV: 2 -0.640894413871E+03 -0.12261E-02 -0.13332E-02 832 0.158E-01 0.808E-02
DAV: 3 -0.640894397533E+03 0.16339E-04 -0.49506E-04 904 0.339E-02 0.552E-02
DAV: 4 -0.640894440286E+03 -0.42753E-04 -0.39168E-04 848 0.230E-02 0.487E-02
DAV: 5 -0.640894389759E+03 0.50527E-04 -0.36388E-04 800 0.200E-02 0.191E-02
DAV: 6 -0.640894383413E+03 0.63466E-05 -0.69959E-05 576 0.117E-02
100 F= -.64089438E+03 E0= -.64089406E+03 d E =-.230155E-02