N E dE d eps ncg rms rms(c)
DAV: 1 0.169233144713E+05 0.16923E+05 -0.10388E+06 3208 0.113E+03
DAV: 2 -0.236367516301E+04 -0.19287E+05 -0.18604E+05 4200 0.310E+02
DAV: 3 -0.452120986837E+04 -0.21575E+04 -0.21293E+04 3608 0.109E+02
DAV: 4 -0.458508869980E+04 -0.63879E+02 -0.63508E+02 3896 0.199E+01
DAV: 5 -0.458728502590E+04 -0.21963E+01 -0.21930E+01 4224 0.339E+00 0.109E+02
DAV: 6 -0.432005512111E+04 0.26723E+03 -0.66835E+02 3848 0.255E+01 0.664E+01
DAV: 7 -0.427782878086E+04 0.42226E+02 -0.24574E+02 4072 0.184E+01 0.403E+01
DAV: 8 -0.425998739326E+04 0.17841E+02 -0.11660E+02 3952 0.126E+01 0.211E+01
DAV: 9 -0.425794569905E+04 0.20417E+01 -0.52052E+01 4040 0.737E+00 0.125E+01
DAV: 10 -0.425644265188E+04 0.15030E+01 -0.98993E+00 3768 0.347E+00 0.731E+00
DAV: 11 -0.425648078666E+04 -0.38135E-01 -0.62318E+00 3976 0.258E+00 0.661E+00
DAV: 12 -0.425630485641E+04 0.17593E+00 -0.37487E+00 4096 0.161E+00 0.417E+00
DAV: 13 -0.425610523573E+04 0.19962E+00 -0.18354E+00 4128 0.106E+00 0.244E+00
DAV: 14 -0.425605542964E+04 0.49806E-01 -0.33551E-01 3832 0.697E-01 0.139E+00
DAV: 15 -0.425605871487E+04 -0.32852E-02 -0.16607E-01 3648 0.436E-01 0.102E+00
DAV: 16 -0.425606139137E+04 -0.26765E-02 -0.61632E-02 3936 0.276E-01 0.968E-01
DAV: 17 -0.425606131670E+04 0.74670E-04 -0.27886E-02 3808 0.168E-01 0.412E-01
DAV: 18 -0.425606997370E+04 -0.86570E-02 -0.12438E-02 3656 0.129E-01 0.381E-01
DAV: 19 -0.425607442341E+04 -0.44497E-02 -0.60608E-03 3960 0.103E-01 0.281E-01
DAV: 20 -0.425608058929E+04 -0.61659E-02 -0.40846E-03 3552 0.788E-02 0.153E-01
DAV: 21 -0.425608736901E+04 -0.67797E-02 -0.28195E-03 3712 0.594E-02 0.122E-01
DAV: 22 -0.425609279466E+04 -0.54256E-02 -0.14424E-03 3840 0.434E-02 0.772E-02
DAV: 23 -0.425609681770E+04 -0.40230E-02 -0.70601E-04 3784 0.290E-02 0.593E-02
DAV: 24 -0.425609898566E+04 -0.21680E-02 -0.31301E-04 3824 0.189E-02 0.422E-02
DAV: 25 -0.425610048557E+04 -0.14999E-02 -0.14321E-04 3752 0.123E-02 0.262E-02
DAV: 26 -0.425610174221E+04 -0.12566E-02 -0.79995E-05 3376 0.103E-02 0.203E-02
DAV: 27 -0.425610241920E+04 -0.67699E-03 -0.48080E-05 3176 0.759E-03 0.155E-02
DAV: 28 -0.425610274216E+04 -0.32296E-03 -0.24814E-05 2656 0.467E-03 0.863E-03
DAV: 29 -0.425610295590E+04 -0.21374E-03 -0.12903E-05 2496 0.332E-03 0.750E-03
DAV: 30 -0.425610307892E+04 -0.12302E-03 -0.98528E-06 2464 0.259E-03 0.348E-03
DAV: 31 -0.425610312118E+04 -0.42265E-04 -0.42559E-06 2400 0.163E-03 0.242E-03
DAV: 32 -0.425610314278E+04 -0.21596E-04 -0.22029E-06 2328 0.125E-03 0.156E-03
DAV: 33 -0.425610315504E+04 -0.12260E-04 -0.15451E-06 2320 0.919E-04 0.959E-04
DAV: 34 -0.425610315913E+04 -0.40871E-05 -0.63817E-07 2296 0.527E-04
1 F= -.42561032E+04 E0= -.42561357E+04 d E =-.425610E+04
N E dE d eps ncg rms rms(c)
DAV: 1 -0.209960695076E+04 0.21565E+04 -0.12982E+05 3328 0.341E+02 0.292E+02
DAV: 2 -0.368830357628E+04 -0.15887E+04 -0.15986E+04 3640 0.112E+02 0.172E+02
DAV: 3 -0.360115008623E+04 0.87153E+02 -0.77991E+02 3760 0.295E+01 0.139E+02
DAV: 4 -0.357041899731E+04 0.30731E+02 -0.46960E+02 3728 0.299E+01 0.437E+01
DAV: 5 -0.355833258633E+04 0.12086E+02 -0.15741E+02 3840 0.159E+01 0.352E+01
DAV: 6 -0.355116262458E+04 0.71700E+01 -0.51502E+01 4080 0.868E+00 0.211E+01
DAV: 7 -0.355024835354E+04 0.91427E+00 -0.14618E+01 3736 0.465E+00 0.129E+01
DAV: 8 -0.355005043842E+04 0.19792E+00 -0.47250E+00 3712 0.246E+00 0.922E+00
DAV: 9 -0.354992088300E+04 0.12956E+00 -0.24492E+00 3832 0.137E+00 0.693E+00
DAV: 10 -0.354964929364E+04 0.27159E+00 -0.11944E+00 3744 0.122E+00 0.402E+00
DAV: 11 -0.354960169169E+04 0.47602E-01 -0.98202E-01 3800 0.908E-01 0.262E+00
DAV: 12 -0.354952268819E+04 0.79003E-01 -0.32881E-01 3616 0.557E-01 0.104E+00
DAV: 13 -0.354952136775E+04 0.13204E-02 -0.73697E-02 3592 0.306E-01 0.964E-01
DAV: 14 -0.354952142592E+04 -0.58176E-04 -0.22862E-02 3712 0.221E-01 0.821E-01
DAV: 15 -0.354951561940E+04 0.58065E-02 -0.14184E-02 3712 0.188E-01 0.250E-01
DAV: 16 -0.354952134901E+04 -0.57296E-02 -0.20427E-02 3624 0.154E-01 0.497E-01
DAV: 17 -0.354952165918E+04 -0.31017E-03 -0.13309E-02 3648 0.932E-02 0.169E-01
DAV: 18 -0.354952464778E+04 -0.29886E-02 -0.29163E-03 3576 0.626E-02 0.186E-01
DAV: 19 -0.354952641577E+04 -0.17680E-02 -0.17855E-03 3656 0.376E-02 0.719E-02
DAV: 20 -0.354952791221E+04 -0.14964E-02 -0.56358E-04 3624 0.254E-02 0.724E-02
DAV: 21 -0.354952897583E+04 -0.10636E-02 -0.31150E-04 3624 0.170E-02 0.313E-02
DAV: 22 -0.354952993713E+04 -0.96130E-03 -0.12152E-04 3568 0.126E-02 0.183E-02
DAV: 23 -0.354953035807E+04 -0.42094E-03 -0.40188E-05 3312 0.709E-03 0.135E-02
DAV: 24 -0.354953066325E+04 -0.30517E-03 -0.16370E-05 2592 0.451E-03 0.894E-03
DAV: 25 -0.354953081511E+04 -0.15187E-03 -0.13572E-05 2408 0.323E-03 0.638E-03
DAV: 26 -0.354953089486E+04 -0.79749E-04 -0.46699E-06 2344 0.217E-03 0.524E-03
DAV: 27 -0.354953094195E+04 -0.47084E-04 -0.35524E-06 2304 0.197E-03 0.225E-03
DAV: 28 -0.354953095591E+04 -0.13965E-04 -0.18406E-06 2320 0.108E-03 0.197E-03
DAV: 29 -0.354953096528E+04 -0.93731E-05 -0.98822E-07 2264 0.796E-04
2 F= -.35495310E+04 E0= -.35495229E+04 d E =0.706572E+03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.347350584398E+04 0.76025E+02 -0.10612E+05 3224 0.307E+02 0.220E+02
DAV: 2 -0.450643813403E+04 -0.10329E+04 -0.13353E+04 4448 0.950E+01 0.152E+02
DAV: 3 -0.436860362595E+04 0.13783E+03 -0.14711E+03 4328 0.356E+01 0.103E+02
DAV: 4 -0.433422030159E+04 0.34383E+02 -0.60079E+02 3832 0.338E+01 0.552E+01
DAV: 5 -0.434305497576E+04 -0.88347E+01 -0.28523E+02 3808 0.146E+01 0.353E+01
DAV: 6 -0.433187957598E+04 0.11175E+02 -0.41029E+01 4448 0.927E+00 0.191E+01
DAV: 7 -0.433239086412E+04 -0.51129E+00 -0.49432E+01 3776 0.759E+00 0.188E+01
DAV: 8 -0.433026470353E+04 0.21262E+01 -0.45210E+01 4064 0.379E+00 0.589E+00
DAV: 9 -0.432990504488E+04 0.35966E+00 -0.27848E+00 3696 0.200E+00 0.373E+00
DAV: 10 -0.432985480815E+04 0.50237E-01 -0.15077E+00 3864 0.132E+00 0.247E+00
DAV: 11 -0.432976378423E+04 0.91024E-01 -0.30135E-01 3872 0.850E-01 0.123E+00
DAV: 12 -0.432976123481E+04 0.25494E-02 -0.12610E-01 3832 0.474E-01 0.922E-01
DAV: 13 -0.432975740678E+04 0.38280E-02 -0.43968E-02 3912 0.331E-01 0.567E-01
DAV: 14 -0.432976054477E+04 -0.31380E-02 -0.23884E-02 3744 0.219E-01 0.429E-01
DAV: 15 -0.432976372035E+04 -0.31756E-02 -0.93931E-03 3776 0.147E-01 0.318E-01
DAV: 16 -0.432976724473E+04 -0.35244E-02 -0.38489E-03 3752 0.124E-01 0.169E-01
DAV: 17 -0.432977121775E+04 -0.39730E-02 -0.36299E-03 3696 0.964E-02 0.963E-02
DAV: 18 -0.432977390873E+04 -0.26910E-02 -0.16706E-03 3856 0.637E-02 0.733E-02
DAV: 19 -0.432977594636E+04 -0.20376E-02 -0.64011E-04 3744 0.440E-02 0.459E-02
DAV: 20 -0.432977829924E+04 -0.23529E-02 -0.47768E-04 3880 0.560E-02 0.381E-02
DAV: 21 -0.432977916996E+04 -0.87072E-03 -0.66702E-04 3800 0.359E-02 0.285E-02
DAV: 22 -0.432977975740E+04 -0.58743E-03 -0.20370E-04 3928 0.267E-02 0.189E-02
DAV: 23 -0.432978019712E+04 -0.43972E-03 -0.10656E-04 3760 0.202E-02 0.127E-02
DAV: 24 -0.432978046822E+04 -0.27110E-03 -0.77617E-05 3752 0.152E-02 0.104E-02
DAV: 25 -0.432978060934E+04 -0.14111E-03 -0.42117E-05 3368 0.896E-03 0.775E-03
DAV: 26 -0.432978071071E+04 -0.10137E-03 -0.10349E-05 2504 0.590E-03 0.403E-03
DAV: 27 -0.432978080866E+04 -0.97948E-04 -0.15538E-05 2680 0.646E-03 0.272E-03
DAV: 28 -0.432978084200E+04 -0.33345E-04 -0.11044E-05 2464 0.395E-03 0.224E-03
DAV: 29 -0.432978086297E+04 -0.20967E-04 -0.32039E-06 2368 0.234E-03 0.146E-03
DAV: 30 -0.432978088079E+04 -0.17823E-04 -0.26791E-06 2400 0.191E-03 0.812E-04
DAV: 31 -0.432978088847E+04 -0.76773E-05 -0.15766E-06 2328 0.117E-03
3 F= -.43297809E+04 E0= -.43297923E+04 d E =-.736777E+02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.436383960279E+04 -0.34059E+02 -0.12722E+03 3168 0.355E+01 0.833E+00
DAV: 2 -0.436832329791E+04 -0.44837E+01 -0.50138E+01 3760 0.600E+00 0.515E+00
DAV: 3 -0.436816849040E+04 0.15481E+00 -0.13678E+00 3864 0.115E+00 0.360E+00
DAV: 4 -0.436816916197E+04 -0.67157E-03 -0.12293E+00 4296 0.851E-01 0.336E+00
DAV: 5 -0.436810422000E+04 0.64942E-01 -0.10318E+00 3976 0.742E-01 0.124E+00
DAV: 6 -0.436811585611E+04 -0.11636E-01 -0.11877E-01 3808 0.415E-01 0.824E-01
DAV: 7 -0.436810869491E+04 0.71612E-02 -0.28599E-02 3728 0.214E-01 0.399E-01
DAV: 8 -0.436810807779E+04 0.61713E-03 -0.96419E-03 3664 0.134E-01 0.280E-01
DAV: 9 -0.436810743892E+04 0.63886E-03 -0.43286E-03 3680 0.746E-02 0.148E-01
DAV: 10 -0.436810754392E+04 -0.10499E-03 -0.12520E-03 3648 0.423E-02 0.800E-02
DAV: 11 -0.436810767221E+04 -0.12829E-03 -0.43039E-04 3664 0.265E-02 0.386E-02
DAV: 12 -0.436810780440E+04 -0.13219E-03 -0.12715E-04 3760 0.138E-02 0.215E-02
DAV: 13 -0.436810793319E+04 -0.12880E-03 -0.36061E-05 3112 0.905E-03 0.138E-02
DAV: 14 -0.436810807691E+04 -0.14372E-03 -0.23870E-05 2688 0.753E-03 0.107E-02
DAV: 15 -0.436810817211E+04 -0.95202E-04 -0.12882E-05 2416 0.495E-03 0.789E-03
DAV: 16 -0.436810826023E+04 -0.88115E-04 -0.98277E-06 2416 0.415E-03 0.406E-03
DAV: 17 -0.436810833790E+04 -0.77675E-04 -0.89853E-06 2360 0.331E-03 0.362E-03
DAV: 18 -0.436810836999E+04 -0.32088E-04 -0.35952E-06 2320 0.202E-03 0.221E-03
DAV: 19 -0.436810838951E+04 -0.19518E-04 -0.22317E-06 2280 0.143E-03 0.134E-03
DAV: 20 -0.436810840062E+04 -0.11116E-04 -0.99208E-07 2264 0.780E-04 0.854E-04
DAV: 21 -0.436810840766E+04 -0.70368E-05 -0.67631E-07 2232 0.671E-04
4 F= -.43681084E+04 E0= -.43681137E+04 d E =-.112005E+03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.435313291248E+04 0.14975E+02 -0.13123E+04 3168 0.113E+02 0.304E+01
DAV: 2 -0.441687795408E+04 -0.63745E+02 -0.69787E+02 3720 0.210E+01 0.194E+01
DAV: 3 -0.441281738844E+04 0.40606E+01 -0.17091E+01 3808 0.461E+00 0.124E+01
DAV: 4 -0.441150925380E+04 0.13081E+01 -0.11191E+01 3696 0.416E+00 0.690E+00
DAV: 5 -0.441133326588E+04 0.17599E+00 -0.29373E+00 3800 0.216E+00 0.323E+00
DAV: 6 -0.441122081327E+04 0.11245E+00 -0.75424E-01 3584 0.996E-01 0.164E+00
DAV: 7 -0.441122898930E+04 -0.81760E-02 -0.36654E-01 3976 0.773E-01 0.191E+00
DAV: 8 -0.441119200150E+04 0.36988E-01 -0.13209E-01 3808 0.484E-01 0.635E-01
DAV: 9 -0.441118962307E+04 0.23784E-02 -0.28015E-02 3432 0.221E-01 0.377E-01
DAV: 10 -0.441118902602E+04 0.59705E-03 -0.13963E-02 3688 0.164E-01 0.205E-01
DAV: 11 -0.441118883327E+04 0.19275E-03 -0.38966E-03 3640 0.108E-01 0.190E-01
DAV: 12 -0.441118868331E+04 0.14996E-03 -0.22449E-03 3624 0.751E-02 0.789E-02
DAV: 13 -0.441118914686E+04 -0.46355E-03 -0.10078E-03 3712 0.549E-02 0.573E-02
DAV: 14 -0.441118958562E+04 -0.43876E-03 -0.38800E-04 3936 0.480E-02 0.491E-02
DAV: 15 -0.441119005570E+04 -0.47008E-03 -0.29856E-04 3920 0.567E-02 0.204E-02
DAV: 16 -0.441119040216E+04 -0.34646E-03 -0.50850E-04 3832 0.446E-02 0.250E-02
DAV: 17 -0.441119057534E+04 -0.17319E-03 -0.29190E-04 3728 0.310E-02 0.153E-02
DAV: 18 -0.441119065079E+04 -0.75444E-04 -0.63014E-05 3536 0.198E-02 0.106E-02
DAV: 19 -0.441119069608E+04 -0.45294E-04 -0.56982E-05 3408 0.401E-02 0.902E-03
DAV: 20 -0.441119067088E+04 0.25201E-04 -0.16079E-04 3496 0.184E-02 0.101E-02
DAV: 21 -0.441119063985E+04 0.31030E-04 -0.51428E-05 3648 0.161E-02 0.689E-03
DAV: 22 -0.441119060417E+04 0.35681E-04 -0.77289E-06 2400 0.191E-02 0.423E-03
DAV: 23 -0.441119061485E+04 -0.10682E-04 -0.40300E-05 3176 0.194E-02 0.374E-03
DAV: 24 -0.441119064434E+04 -0.29493E-04 -0.83237E-05 3432 0.839E-03 0.781E-03
DAV: 25 -0.441119064492E+04 -0.57128E-06 -0.29051E-06 2272 0.191E-03
5 F= -.44111906E+04 E0= -.44112012E+04 d E =-.155087E+03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.441152300102E+04 -0.33236E+00 -0.92596E+02 3168 0.298E+01 0.868E+00
DAV: 2 -0.441479827033E+04 -0.32753E+01 -0.40941E+01 3752 0.542E+00 0.535E+00
DAV: 3 -0.441459079821E+04 0.20747E+00 -0.12913E+00 3936 0.149E+00 0.370E+00
DAV: 4 -0.441441676564E+04 0.17403E+00 -0.70744E-01 3912 0.998E-01 0.229E+00
DAV: 5 -0.441446226282E+04 -0.45497E-01 -0.45280E-01 3736 0.854E-01 0.231E+00
DAV: 6 -0.441440687294E+04 0.55390E-01 -0.13545E-01 3864 0.527E-01 0.832E-01
DAV: 7 -0.441440363291E+04 0.32400E-02 -0.55776E-02 3496 0.274E-01 0.528E-01
DAV: 8 -0.441440089512E+04 0.27378E-02 -0.28074E-02 3704 0.226E-01 0.242E-01
DAV: 9 -0.441440105331E+04 -0.15819E-03 -0.77722E-03 3560 0.893E-02 0.151E-01
DAV: 10 -0.441440124386E+04 -0.19055E-03 -0.15982E-03 3536 0.530E-02 0.766E-02
DAV: 11 -0.441440171034E+04 -0.46648E-03 -0.78725E-04 3648 0.376E-02 0.470E-02
DAV: 12 -0.441440198956E+04 -0.27922E-03 -0.16635E-04 3648 0.248E-02 0.350E-02
DAV: 13 -0.441440225935E+04 -0.26980E-03 -0.19005E-04 3584 0.199E-02 0.173E-02
DAV: 14 -0.441440248402E+04 -0.22467E-03 -0.54840E-05 3504 0.113E-02 0.124E-02
DAV: 15 -0.441440267736E+04 -0.19334E-03 -0.20495E-05 2808 0.919E-03 0.818E-03
DAV: 16 -0.441440280160E+04 -0.12424E-03 -0.27405E-05 2992 0.803E-03 0.577E-03
DAV: 17 -0.441440289466E+04 -0.93055E-04 -0.81853E-06 2432 0.659E-03 0.281E-03
DAV: 18 -0.441440295647E+04 -0.61813E-04 -0.11560E-05 2520 0.618E-03 0.259E-03
DAV: 19 -0.441440299126E+04 -0.34787E-04 -0.79917E-06 2400 0.495E-03 0.197E-03
DAV: 20 -0.441440300840E+04 -0.17141E-04 -0.40785E-06 2352 0.361E-03 0.160E-03
DAV: 21 -0.441440301870E+04 -0.10302E-04 -0.21168E-06 2296 0.404E-03 0.113E-03
DAV: 22 -0.441440301956E+04 -0.86270E-06 -0.23686E-06 2320 0.501E-03
6 F= -.44144030E+04 E0= -.44144099E+04 d E =-.158300E+03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.441464986806E+04 -0.24685E+00 -0.50584E+01 3168 0.701E+00 0.193E+00
DAV: 2 -0.441481507198E+04 -0.16520E+00 -0.19419E+00 3728 0.122E+00 0.126E+00
DAV: 3 -0.441480905841E+04 0.60136E-02 -0.65229E-02 3896 0.372E-01 0.118E+00
DAV: 4 -0.441479438342E+04 0.14675E-01 -0.18021E-02 3904 0.256E-01 0.643E-01
DAV: 5 -0.441479400600E+04 0.37741E-03 -0.26815E-02 3552 0.191E-01 0.321E-01
DAV: 6 -0.441479326265E+04 0.74336E-03 -0.13712E-02 3768 0.102E-01 0.160E-01
DAV: 7 -0.441479317381E+04 0.88836E-04 -0.17273E-03 3448 0.468E-02 0.806E-02
DAV: 8 -0.441479314476E+04 0.29051E-04 -0.85630E-04 3736 0.328E-02 0.416E-02
DAV: 9 -0.441479314950E+04 -0.47374E-05 -0.13605E-04 3632 0.133E-02 0.251E-02
DAV: 10 -0.441479316426E+04 -0.14760E-04 -0.60363E-05 3440 0.103E-02 0.116E-02
DAV: 11 -0.441479318091E+04 -0.16657E-04 -0.15659E-05 2432 0.507E-03 0.814E-03
DAV: 12 -0.441479319542E+04 -0.14506E-04 -0.42643E-06 2248 0.373E-03 0.519E-03
DAV: 13 -0.441479321144E+04 -0.16017E-04 -0.64508E-06 2280 0.490E-03 0.322E-03
DAV: 14 -0.441479322089E+04 -0.94511E-05 -0.46295E-06 2264 0.319E-03
7 F= -.44147932E+04 E0= -.44147999E+04 d E =-.158690E+03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.413563523784E+04 0.27916E+03 -0.43589E+04 3200 0.200E+02 0.783E+01
DAV: 2 -0.440239817589E+04 -0.26676E+03 -0.28708E+03 3720 0.438E+01 0.426E+01
DAV: 3 -0.438858485894E+04 0.13813E+02 -0.75457E+01 3728 0.943E+00 0.299E+01
DAV: 4 -0.439173638218E+04 -0.31515E+01 -0.74078E+01 3920 0.608E+00 0.293E+01
DAV: 5 -0.438816620690E+04 0.35702E+01 -0.49549E+01 4040 0.415E+00 0.183E+01
DAV: 6 -0.438326394798E+04 0.49023E+01 -0.73550E+00 4048 0.293E+00 0.107E+01
DAV: 7 -0.438205705129E+04 0.12069E+01 -0.43796E+00 3680 0.227E+00 0.634E+00
DAV: 8 -0.438221763157E+04 -0.16058E+00 -0.14099E+00 3768 0.113E+00 0.476E+00
DAV: 9 -0.438188540148E+04 0.33223E+00 -0.87364E-01 3752 0.101E+00 0.420E+00
DAV: 10 -0.438182399603E+04 0.61405E-01 -0.30907E-01 3952 0.517E-01 0.228E+00
DAV: 11 -0.438179241862E+04 0.31577E-01 -0.99734E-02 3688 0.284E-01 0.112E+00
DAV: 12 -0.438180061730E+04 -0.81987E-02 -0.44955E-02 4008 0.274E-01 0.231E+00
DAV: 13 -0.438179361094E+04 0.70064E-02 -0.14222E-01 3616 0.194E-01 0.153E+00
DAV: 14 -0.438178244323E+04 0.11168E-01 -0.13086E-02 3472 0.143E-01 0.395E-01
DAV: 15 -0.438178479608E+04 -0.23529E-02 -0.50581E-03 3744 0.111E-01 0.749E-01
DAV: 16 -0.438178407680E+04 0.71928E-03 -0.74966E-03 3720 0.668E-02 0.430E-01
DAV: 17 -0.438178408949E+04 -0.12686E-04 -0.10482E-03 3672 0.938E-02 0.137E-01
DAV: 18 -0.438178521493E+04 -0.11254E-02 -0.10513E-03 3656 0.775E-02 0.654E-02
DAV: 19 -0.438178622600E+04 -0.10111E-02 -0.13612E-03 3696 0.446E-02 0.163E-01
DAV: 20 -0.438178661582E+04 -0.38982E-03 -0.24471E-04 3664 0.207E-02 0.277E-02
DAV: 21 -0.438178721569E+04 -0.59987E-03 -0.75713E-05 3360 0.166E-02 0.189E-02
DAV: 22 -0.438178749437E+04 -0.27868E-03 -0.72708E-05 3528 0.856E-03 0.255E-02
DAV: 23 -0.438178761339E+04 -0.11901E-03 -0.11717E-05 2496 0.354E-03 0.131E-02
DAV: 24 -0.438178777984E+04 -0.16645E-03 -0.17552E-05 2584 0.357E-03 0.201E-02
DAV: 25 -0.438178785489E+04 -0.75049E-04 -0.67072E-06 2424 0.214E-03 0.425E-03
DAV: 26 -0.438178789691E+04 -0.42024E-04 -0.35645E-06 2352 0.187E-03 0.282E-03
DAV: 27 -0.438178793017E+04 -0.33263E-04 -0.29998E-06 2376 0.126E-03 0.444E-03
DAV: 28 -0.438178794412E+04 -0.13946E-04 -0.11999E-06 2280 0.782E-04 0.198E-03
DAV: 29 -0.438178795943E+04 -0.15307E-04 -0.16544E-06 2328 0.101E-03 0.119E-03
DAV: 30 -0.438178796198E+04 -0.25507E-05 -0.48436E-07 2296 0.494E-04
8 F= -.43817880E+04 E0= -.43818173E+04 d E =0.330053E+02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.439334737961E+04 -0.11559E+02 -0.14719E+04 3176 0.115E+02 0.459E+01
DAV: 2 -0.446065949149E+04 -0.67312E+02 -0.85789E+02 3664 0.242E+01 0.260E+01
DAV: 3 -0.445506371404E+04 0.55958E+01 -0.24080E+01 3680 0.560E+00 0.178E+01
DAV: 4 -0.445359453406E+04 0.14692E+01 -0.18466E+01 3592 0.495E+00 0.801E+00
DAV: 5 -0.445358084036E+04 0.13694E-01 -0.21207E+00 3728 0.160E+00 0.481E+00
DAV: 6 -0.445356040001E+04 0.20440E-01 -0.72530E-01 3688 0.123E+00 0.180E+00
DAV: 7 -0.445355061497E+04 0.97850E-02 -0.32421E-01 3832 0.727E-01 0.922E-01
DAV: 8 -0.445354585418E+04 0.47608E-02 -0.80356E-02 3488 0.318E-01 0.611E-01
DAV: 9 -0.445354207536E+04 0.37788E-02 -0.35058E-02 3640 0.283E-01 0.217E-01
DAV: 10 -0.445354414965E+04 -0.20743E-02 -0.11123E-02 3768 0.157E-01 0.178E-01
DAV: 11 -0.445354523040E+04 -0.10807E-02 -0.31166E-03 3800 0.109E-01 0.967E-02
DAV: 12 -0.445354635096E+04 -0.11206E-02 -0.11389E-03 3672 0.937E-02 0.543E-02
DAV: 13 -0.445354720922E+04 -0.85826E-03 -0.80918E-04 4032 0.945E-02 0.409E-02
DAV: 14 -0.445354777644E+04 -0.56721E-03 -0.13245E-03 3744 0.741E-02 0.386E-02
DAV: 15 -0.445354806073E+04 -0.28429E-03 -0.66763E-04 3784 0.459E-02 0.341E-02
DAV: 16 -0.445354818591E+04 -0.12518E-03 -0.63647E-05 3768 0.343E-02 0.267E-02
DAV: 17 -0.445354833345E+04 -0.14753E-03 -0.13959E-04 4656 0.779E-02 0.258E-02
DAV: 18 -0.445354835217E+04 -0.18724E-04 -0.55955E-04 3592 0.244E-02 0.261E-02
DAV: 19 -0.445354829562E+04 0.56553E-04 -0.14428E-06 2640 0.267E-02 0.265E-02
DAV: 20 -0.445354820296E+04 0.92653E-04 -0.10203E-04 4016 0.284E-02 0.278E-02
DAV: 21 -0.445354816554E+04 0.37422E-04 -0.17409E-04 3544 0.158E-02 0.283E-02
DAV: 22 -0.445354813669E+04 0.28856E-04 -0.16997E-05 2472 0.791E-03 0.279E-02
DAV: 23 -0.445354814454E+04 -0.78569E-05 -0.10469E-05 2264 0.296E-03
9 F= -.44535481E+04 E0= -.44535908E+04 d E =-.387549E+02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.431490061587E+04 0.13865E+03 -0.26179E+04 3160 0.154E+02 0.612E+01
DAV: 2 -0.445101864482E+04 -0.13612E+03 -0.15241E+03 3600 0.319E+01 0.353E+01
DAV: 3 -0.444337693796E+04 0.76417E+01 -0.38759E+01 3808 0.737E+00 0.246E+01
DAV: 4 -0.444131681209E+04 0.20601E+01 -0.14757E+01 3704 0.445E+00 0.147E+01
DAV: 5 -0.444058918694E+04 0.72763E+00 -0.39091E+00 4016 0.200E+00 0.741E+00
DAV: 6 -0.444045203367E+04 0.13715E+00 -0.15171E+00 3960 0.141E+00 0.292E+00
DAV: 7 -0.444043896164E+04 0.13072E-01 -0.44377E-01 3976 0.744E-01 0.134E+00
DAV: 8 -0.444044437552E+04 -0.54139E-02 -0.10343E-01 3624 0.337E-01 0.765E-01
DAV: 9 -0.444045314330E+04 -0.87678E-02 -0.24387E-02 3544 0.206E-01 0.357E-01
DAV: 10 -0.444045890524E+04 -0.57619E-02 -0.88359E-03 3808 0.174E-01 0.215E-01
DAV: 11 -0.444045840660E+04 0.49864E-03 -0.62971E-03 3752 0.116E-01 0.207E-01
DAV: 12 -0.444045773998E+04 0.66662E-03 -0.18913E-03 3728 0.786E-02 0.194E-01
DAV: 13 -0.444045624484E+04 0.14951E-02 -0.10570E-03 5240 0.105E-01 0.189E-01
DAV: 14 -0.444045410303E+04 0.21418E-02 -0.25029E-03 4904 0.162E-01 0.147E-01
DAV: 15 -0.444045668703E+04 -0.25840E-02 -0.25209E-02 4568 0.242E-01 0.253E-01
DAV: 16 -0.444045714722E+04 -0.46018E-03 -0.10596E-02 3568 0.149E-01 0.250E-01
DAV: 17 -0.444045645719E+04 0.69003E-03 -0.10960E-02 3952 0.131E-01 0.133E-01
DAV: 18 -0.444045724244E+04 -0.78525E-03 -0.42538E-03 3616 0.983E-02 0.641E-02
DAV: 19 -0.444045876237E+04 -0.15199E-02 -0.25890E-03 3456 0.896E-02 0.626E-02
DAV: 20 -0.444045948322E+04 -0.72086E-03 -0.54955E-04 3608 0.491E-02 0.457E-02
DAV: 21 -0.444045989023E+04 -0.40701E-03 -0.55716E-04 3656 0.341E-02 0.366E-02
DAV: 22 -0.444046031168E+04 -0.42145E-03 -0.17380E-04 3560 0.308E-02 0.246E-02
DAV: 23 -0.444046066104E+04 -0.34936E-03 -0.23989E-04 3600 0.222E-02 0.232E-02
DAV: 24 -0.444046076846E+04 -0.10741E-03 -0.87294E-05 3608 0.138E-02 0.146E-02
DAV: 25 -0.444046086976E+04 -0.10131E-03 -0.52107E-05 3424 0.764E-03 0.825E-03
DAV: 26 -0.444046094621E+04 -0.76454E-04 -0.85285E-06 2368 0.344E-03 0.642E-03
DAV: 27 -0.444046099556E+04 -0.49345E-04 -0.65586E-06 2352 0.243E-03 0.442E-03
DAV: 28 -0.444046104108E+04 -0.45521E-04 -0.36148E-06 2320 0.211E-03 0.331E-03
DAV: 29 -0.444046107771E+04 -0.36633E-04 -0.42270E-06 2344 0.242E-03 0.217E-03
DAV: 30 -0.444046108597E+04 -0.82552E-05 -0.19048E-06 2240 0.124E-03
10 F= -.44404611E+04 E0= -.44404855E+04 d E =0.130871E+02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.444760463050E+04 -0.71436E+01 -0.88446E+03 3168 0.898E+01 0.270E+01
DAV: 2 -0.448170813200E+04 -0.34104E+02 -0.39462E+02 3600 0.164E+01 0.163E+01
DAV: 3 -0.447967927833E+04 0.20289E+01 -0.95353E+00 3736 0.351E+00 0.110E+01
DAV: 4 -0.447893451669E+04 0.74476E+00 -0.58322E+00 3584 0.297E+00 0.463E+00
DAV: 5 -0.447892593932E+04 0.85774E-02 -0.89836E-01 3720 0.104E+00 0.230E+00
DAV: 6 -0.447891219705E+04 0.13742E-01 -0.31710E-01 3600 0.770E-01 0.916E-01
DAV: 7 -0.447891195115E+04 0.24590E-03 -0.93647E-02 3680 0.387E-01 0.548E-01
DAV: 8 -0.447890961525E+04 0.23359E-02 -0.17680E-02 3488 0.190E-01 0.326E-01
DAV: 9 -0.447890914953E+04 0.46573E-03 -0.14248E-02 3616 0.203E-01 0.171E-01
DAV: 10 -0.447890910494E+04 0.44588E-04 -0.49987E-03 3632 0.103E-01 0.138E-01
DAV: 11 -0.447890909396E+04 0.10977E-04 -0.30150E-03 3648 0.851E-02 0.593E-02
DAV: 12 -0.447890934356E+04 -0.24960E-03 -0.42460E-04 4024 0.633E-02 0.490E-02
DAV: 13 -0.447890977403E+04 -0.43047E-03 -0.46011E-04 4488 0.738E-02 0.254E-02
DAV: 14 -0.447891024338E+04 -0.46934E-03 -0.10240E-03 3624 0.472E-02 0.288E-02
DAV: 15 -0.447891036685E+04 -0.12348E-03 -0.29607E-04 3608 0.156E-02 0.292E-02
DAV: 16 -0.447891042130E+04 -0.54446E-04 -0.14585E-05 2336 0.413E-03 0.229E-02
DAV: 17 -0.447891070488E+04 -0.28358E-03 -0.94710E-05 3384 0.130E-02 0.119E-02
DAV: 18 -0.447891079382E+04 -0.88940E-04 -0.38858E-05 3336 0.825E-03 0.153E-02
DAV: 19 -0.447891082602E+04 -0.32207E-04 -0.24329E-05 2624 0.588E-03 0.703E-03
DAV: 20 -0.447891085718E+04 -0.31155E-04 -0.35494E-06 2264 0.256E-03 0.472E-03
DAV: 21 -0.447891090902E+04 -0.51840E-04 -0.68125E-06 2312 0.365E-03 0.266E-03
DAV: 22 -0.447891092308E+04 -0.14060E-04 -0.31648E-06 2296 0.181E-03 0.331E-03
DAV: 23 -0.447891092777E+04 -0.46859E-05 -0.73325E-07 2240 0.871E-04
11 F= -.44789109E+04 E0= -.44789620E+04 d E =-.253628E+02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.442624627260E+04 0.52665E+02 -0.16330E+04 3184 0.121E+02 0.447E+01
DAV: 2 -0.449172551393E+04 -0.65479E+02 -0.74590E+02 3632 0.221E+01 0.221E+01
DAV: 3 -0.448740310866E+04 0.43224E+01 -0.17504E+01 3768 0.456E+00 0.146E+01
DAV: 4 -0.448589366004E+04 0.15094E+01 -0.11843E+01 3632 0.424E+00 0.532E+00
DAV: 5 -0.448588636647E+04 0.72936E-02 -0.19909E+00 3632 0.158E+00 0.312E+00
DAV: 6 -0.448586455163E+04 0.21815E-01 -0.71937E-01 3632 0.102E+00 0.972E-01
DAV: 7 -0.448586439460E+04 0.15704E-03 -0.12032E-01 3800 0.402E-01 0.568E-01
DAV: 8 -0.448586234631E+04 0.20483E-02 -0.29642E-02 3640 0.229E-01 0.301E-01
DAV: 9 -0.448586290910E+04 -0.56279E-03 -0.12229E-02 3584 0.139E-01 0.179E-01
DAV: 10 -0.448586345970E+04 -0.55061E-03 -0.24386E-03 3672 0.677E-02 0.117E-01
DAV: 11 -0.448586456297E+04 -0.11033E-02 -0.23530E-03 3584 0.643E-02 0.637E-02
DAV: 12 -0.448586547314E+04 -0.91017E-03 -0.56892E-04 3680 0.347E-02 0.557E-02
DAV: 13 -0.448586643190E+04 -0.95877E-03 -0.46595E-04 3760 0.336E-02 0.233E-02
DAV: 14 -0.448586722655E+04 -0.79464E-03 -0.17558E-04 3680 0.185E-02 0.203E-02
DAV: 15 -0.448586780639E+04 -0.57984E-03 -0.89221E-05 3520 0.129E-02 0.898E-03
DAV: 16 -0.448586812777E+04 -0.32138E-03 -0.36982E-05 3096 0.612E-03 0.666E-03
DAV: 17 -0.448586833536E+04 -0.20759E-03 -0.14105E-05 2536 0.376E-03 0.352E-03
DAV: 18 -0.448586847470E+04 -0.13933E-03 -0.12368E-05 2552 0.271E-03 0.364E-03
DAV: 19 -0.448586856613E+04 -0.91430E-04 -0.83562E-06 2496 0.249E-03 0.148E-03
DAV: 20 -0.448586859604E+04 -0.29909E-04 -0.35531E-06 2400 0.166E-03 0.190E-03
DAV: 21 -0.448586860975E+04 -0.13713E-04 -0.14827E-06 2344 0.108E-03 0.113E-03
DAV: 22 -0.448586861726E+04 -0.75122E-05 -0.10708E-06 2328 0.770E-04
12 F= -.44858686E+04 E0= -.44859203E+04 d E =-.695769E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.449459706080E+04 -0.87285E+01 -0.26947E+03 3176 0.497E+01 0.127E+01
DAV: 2 -0.450227264275E+04 -0.76756E+01 -0.95271E+01 3744 0.825E+00 0.834E+00
DAV: 3 -0.450155573420E+04 0.71691E+00 -0.23990E+00 3704 0.178E+00 0.532E+00
DAV: 4 -0.450135288251E+04 0.20285E+00 -0.15530E+00 3600 0.156E+00 0.209E+00
DAV: 5 -0.450136860663E+04 -0.15724E-01 -0.37164E-01 3632 0.650E-01 0.113E+00
DAV: 6 -0.450136729328E+04 0.13134E-02 -0.79905E-02 3560 0.373E-01 0.572E-01
DAV: 7 -0.450136424758E+04 0.30457E-02 -0.24290E-02 3560 0.218E-01 0.300E-01
DAV: 8 -0.450136319023E+04 0.10573E-02 -0.66156E-03 3608 0.105E-01 0.147E-01
DAV: 9 -0.450136336711E+04 -0.17689E-03 -0.44702E-03 3600 0.947E-02 0.846E-02
DAV: 10 -0.450136343819E+04 -0.71075E-04 -0.86094E-04 3808 0.380E-02 0.496E-02
DAV: 11 -0.450136363756E+04 -0.19937E-03 -0.45644E-04 3512 0.255E-02 0.261E-02
DAV: 12 -0.450136387138E+04 -0.23383E-03 -0.54360E-05 3264 0.158E-02 0.175E-02
DAV: 13 -0.450136407471E+04 -0.20332E-03 -0.92228E-05 3488 0.138E-02 0.904E-03
DAV: 14 -0.450136419133E+04 -0.11663E-03 -0.20146E-05 2576 0.511E-03 0.721E-03
DAV: 15 -0.450136431122E+04 -0.11988E-03 -0.13257E-05 2416 0.388E-03 0.359E-03
DAV: 16 -0.450136437347E+04 -0.62250E-04 -0.60999E-06 2336 0.253E-03 0.261E-03
DAV: 17 -0.450136441125E+04 -0.37782E-04 -0.30411E-06 2304 0.193E-03 0.145E-03
DAV: 18 -0.450136443632E+04 -0.25071E-04 -0.23786E-06 2320 0.124E-03 0.164E-03
DAV: 19 -0.450136444699E+04 -0.10667E-04 -0.10281E-06 2304 0.958E-04 0.705E-04
DAV: 20 -0.450136445235E+04 -0.53592E-05 -0.81955E-07 2256 0.766E-04
13 F= -.45013645E+04 E0= -.45014191E+04 d E =-.224535E+02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.445470089282E+04 0.46664E+02 -0.12383E+04 3176 0.105E+02 0.350E+01
DAV: 2 -0.450250649015E+04 -0.47806E+02 -0.55153E+02 3672 0.191E+01 0.193E+01
DAV: 3 -0.449942025136E+04 0.30862E+01 -0.12870E+01 3728 0.403E+00 0.128E+01
DAV: 4 -0.449856595306E+04 0.85430E+00 -0.85506E+00 3832 0.352E+00 0.652E+00
DAV: 5 -0.449837168030E+04 0.19427E+00 -0.22315E+00 4016 0.168E+00 0.327E+00
DAV: 6 -0.449828764627E+04 0.84034E-01 -0.60666E-01 3592 0.941E-01 0.186E+00
DAV: 7 -0.449831689756E+04 -0.29251E-01 -0.31525E-01 3784 0.707E-01 0.177E+00
DAV: 8 -0.449827495503E+04 0.41943E-01 -0.15051E-01 3920 0.411E-01 0.884E-01
DAV: 9 -0.449827068136E+04 0.42737E-02 -0.28301E-02 3576 0.227E-01 0.536E-01
DAV: 10 -0.449826743894E+04 0.32424E-02 -0.16595E-02 3696 0.147E-01 0.156E-01
DAV: 11 -0.449826695083E+04 0.48810E-03 -0.42056E-03 3608 0.952E-02 0.975E-02
DAV: 12 -0.449826667760E+04 0.27324E-03 -0.14585E-03 3744 0.740E-02 0.880E-02
DAV: 13 -0.449826663697E+04 0.40627E-04 -0.78860E-04 3880 0.622E-02 0.452E-02
DAV: 14 -0.449826679700E+04 -0.16003E-03 -0.55446E-04 4000 0.535E-02 0.610E-02
DAV: 15 -0.449826692302E+04 -0.12602E-03 -0.53204E-04 3648 0.328E-02 0.270E-02
DAV: 16 -0.449826701719E+04 -0.94168E-04 -0.77389E-05 3592 0.214E-02 0.177E-02
DAV: 17 -0.449826714339E+04 -0.12621E-03 -0.83184E-05 3872 0.297E-02 0.140E-02
DAV: 18 -0.449826722487E+04 -0.81471E-04 -0.12373E-04 3800 0.242E-02 0.964E-03
DAV: 19 -0.449826725750E+04 -0.32631E-04 -0.11650E-04 3592 0.163E-02 0.882E-03
DAV: 20 -0.449826726737E+04 -0.98697E-05 -0.28797E-05 2792 0.591E-03
14 F= -.44982673E+04 E0= -.44983168E+04 d E =0.309718E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.450196379144E+04 -0.36965E+01 -0.35739E+03 3200 0.569E+01 0.153E+01
DAV: 2 -0.451280031077E+04 -0.10837E+02 -0.12955E+02 3664 0.945E+00 0.950E+00
DAV: 3 -0.451213991870E+04 0.66039E+00 -0.28310E+00 3736 0.186E+00 0.640E+00
DAV: 4 -0.451194789401E+04 0.19202E+00 -0.17070E+00 3672 0.178E+00 0.253E+00
DAV: 5 -0.451196919240E+04 -0.21298E-01 -0.48331E-01 3656 0.738E-01 0.141E+00
DAV: 6 -0.451195990274E+04 0.92897E-02 -0.13776E-01 3560 0.485E-01 0.549E-01
DAV: 7 -0.451195974588E+04 0.15685E-03 -0.40079E-02 3608 0.222E-01 0.297E-01
DAV: 8 -0.451195871740E+04 0.10285E-02 -0.66642E-03 3552 0.122E-01 0.180E-01
DAV: 9 -0.451195870096E+04 0.16439E-04 -0.60170E-03 3560 0.113E-01 0.966E-02
DAV: 10 -0.451195887575E+04 -0.17479E-03 -0.14785E-03 3728 0.522E-02 0.772E-02
DAV: 11 -0.451195900937E+04 -0.13362E-03 -0.80975E-04 3768 0.500E-02 0.331E-02
DAV: 12 -0.451195922859E+04 -0.21922E-03 -0.24738E-04 4320 0.435E-02 0.293E-02
DAV: 13 -0.451195939961E+04 -0.17102E-03 -0.34215E-04 3752 0.370E-02 0.153E-02
DAV: 14 -0.451195950404E+04 -0.10444E-03 -0.28785E-04 3592 0.170E-02 0.158E-02
DAV: 15 -0.451195953631E+04 -0.32269E-04 -0.13632E-05 2488 0.468E-03 0.110E-02
DAV: 16 -0.451195961335E+04 -0.77032E-04 -0.13059E-05 2448 0.640E-03 0.346E-03
DAV: 17 -0.451195964330E+04 -0.29954E-04 -0.91390E-06 2392 0.360E-03 0.270E-03
DAV: 18 -0.451195965666E+04 -0.13365E-04 -0.35982E-06 2280 0.192E-03 0.174E-03
DAV: 19 -0.451195967279E+04 -0.16126E-04 -0.13080E-06 2296 0.118E-03 0.825E-04
DAV: 20 -0.451195968575E+04 -0.12959E-04 -0.10855E-06 2288 0.961E-04 0.651E-04
DAV: 21 -0.451195969171E+04 -0.59660E-05 -0.53558E-07 2256 0.648E-04
15 F= -.45119597E+04 E0= -.45120155E+04 d E =-.105952E+02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.450202327539E+04 0.99364E+01 -0.58166E+03 3184 0.726E+01 0.202E+01
DAV: 2 -0.452023959741E+04 -0.18216E+02 -0.21733E+02 3576 0.123E+01 0.121E+01
DAV: 3 -0.451938162723E+04 0.85797E+00 -0.50806E+00 3760 0.238E+00 0.862E+00
DAV: 4 -0.451902233372E+04 0.35929E+00 -0.36657E+00 3608 0.252E+00 0.327E+00
DAV: 5 -0.451904389798E+04 -0.21564E-01 -0.63641E-01 3632 0.850E-01 0.199E+00
DAV: 6 -0.451901778878E+04 0.26109E-01 -0.38032E-01 3592 0.801E-01 0.565E-01
DAV: 7 -0.451902129843E+04 -0.35096E-02 -0.64435E-02 3664 0.251E-01 0.342E-01
DAV: 8 -0.451902219031E+04 -0.89188E-03 -0.13814E-02 3552 0.153E-01 0.148E-01
DAV: 9 -0.451902317322E+04 -0.98291E-03 -0.25130E-03 3608 0.541E-02 0.113E-01
DAV: 10 -0.451902387572E+04 -0.70250E-03 -0.10771E-03 3576 0.496E-02 0.379E-02
DAV: 11 -0.451902441733E+04 -0.54161E-03 -0.55013E-04 3624 0.268E-02 0.375E-02
DAV: 12 -0.451902491173E+04 -0.49440E-03 -0.10861E-04 3536 0.156E-02 0.216E-02
DAV: 13 -0.451902540956E+04 -0.49782E-03 -0.12503E-04 3384 0.165E-02 0.125E-02
DAV: 14 -0.451902567759E+04 -0.26803E-03 -0.62655E-05 3568 0.102E-02 0.110E-02
DAV: 15 -0.451902582105E+04 -0.14347E-03 -0.17820E-05 2528 0.576E-03 0.561E-03
DAV: 16 -0.451902589498E+04 -0.73930E-04 -0.87485E-06 2360 0.331E-03 0.282E-03
DAV: 17 -0.451902596109E+04 -0.66111E-04 -0.54016E-06 2368 0.234E-03 0.175E-03
DAV: 18 -0.451902598932E+04 -0.28229E-04 -0.29611E-06 2328 0.146E-03 0.135E-03
DAV: 19 -0.451902600368E+04 -0.14361E-04 -0.17378E-06 2280 0.119E-03 0.947E-04
DAV: 20 -0.451902600893E+04 -0.52426E-05 -0.74676E-07 2240 0.654E-04
16 F= -.45190260E+04 E0= -.45190721E+04 d E =-.706632E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.451943687434E+04 -0.41087E+00 -0.55951E+02 3168 0.226E+01 0.495E+00
DAV: 2 -0.452078483529E+04 -0.13480E+01 -0.16147E+01 3632 0.349E+00 0.319E+00
DAV: 3 -0.452072594510E+04 0.58890E-01 -0.41022E-01 3736 0.651E-01 0.212E+00
DAV: 4 -0.452071089043E+04 0.15055E-01 -0.22106E-01 3584 0.660E-01 0.795E-01
DAV: 5 -0.452071583771E+04 -0.49473E-02 -0.54674E-02 3592 0.241E-01 0.527E-01
DAV: 6 -0.452071333232E+04 0.25054E-02 -0.28844E-02 3624 0.225E-01 0.184E-01
DAV: 7 -0.452071358023E+04 -0.24791E-03 -0.61156E-03 3536 0.708E-02 0.124E-01
DAV: 8 -0.452071350005E+04 0.80184E-04 -0.78092E-04 3568 0.391E-02 0.596E-02
DAV: 9 -0.452071362688E+04 -0.12683E-03 -0.54724E-04 3536 0.269E-02 0.342E-02
DAV: 10 -0.452071371085E+04 -0.83968E-04 -0.77030E-05 3600 0.129E-02 0.184E-02
DAV: 11 -0.452071380587E+04 -0.95015E-04 -0.73716E-05 3264 0.106E-02 0.105E-02
DAV: 12 -0.452071387584E+04 -0.69978E-04 -0.10256E-05 2368 0.458E-03 0.788E-03
DAV: 13 -0.452071396505E+04 -0.89204E-04 -0.13479E-05 2440 0.524E-03 0.316E-03
DAV: 14 -0.452071400377E+04 -0.38725E-04 -0.70459E-06 2336 0.301E-03 0.284E-03
DAV: 15 -0.452071403118E+04 -0.27407E-04 -0.29167E-06 2312 0.208E-03 0.150E-03
DAV: 16 -0.452071405162E+04 -0.20437E-04 -0.21705E-06 2320 0.142E-03 0.136E-03
DAV: 17 -0.452071406200E+04 -0.10379E-04 -0.10479E-06 2264 0.106E-03 0.611E-04
DAV: 18 -0.452071406792E+04 -0.59285E-05 -0.77896E-07 2256 0.733E-04
17 F= -.45207141E+04 E0= -.45207616E+04 d E =-.875438E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.451207990523E+04 0.86342E+01 -0.52018E+03 3184 0.683E+01 0.191E+01
DAV: 2 -0.452817784454E+04 -0.16098E+02 -0.18897E+02 3624 0.114E+01 0.110E+01
DAV: 3 -0.452740647585E+04 0.77137E+00 -0.44628E+00 3768 0.220E+00 0.744E+00
DAV: 4 -0.452713472290E+04 0.27175E+00 -0.31186E+00 3616 0.234E+00 0.281E+00
DAV: 5 -0.452716117553E+04 -0.26453E-01 -0.57615E-01 3632 0.778E-01 0.186E+00
DAV: 6 -0.452713170928E+04 0.29466E-01 -0.35376E-01 3624 0.777E-01 0.510E-01
DAV: 7 -0.452713582654E+04 -0.41173E-02 -0.68219E-02 3688 0.252E-01 0.369E-01
DAV: 8 -0.452713502143E+04 0.80511E-03 -0.11851E-02 3592 0.148E-01 0.136E-01
DAV: 9 -0.452713572503E+04 -0.70360E-03 -0.43257E-03 3576 0.683E-02 0.101E-01
DAV: 10 -0.452713607505E+04 -0.35002E-03 -0.56622E-04 3560 0.353E-02 0.525E-02
DAV: 11 -0.452713647134E+04 -0.39629E-03 -0.56353E-04 3608 0.295E-02 0.270E-02
DAV: 12 -0.452713681475E+04 -0.34341E-03 -0.10859E-04 3576 0.133E-02 0.197E-02
DAV: 13 -0.452713717809E+04 -0.36334E-03 -0.64431E-05 3256 0.106E-02 0.964E-03
DAV: 14 -0.452713743971E+04 -0.26161E-03 -0.39560E-05 3072 0.797E-03 0.780E-03
DAV: 15 -0.452713761891E+04 -0.17920E-03 -0.20597E-05 2632 0.546E-03 0.426E-03
DAV: 16 -0.452713769403E+04 -0.75123E-04 -0.76402E-06 2408 0.257E-03 0.308E-03
DAV: 17 -0.452713775335E+04 -0.59316E-04 -0.53975E-06 2384 0.211E-03 0.166E-03
DAV: 18 -0.452713778503E+04 -0.31680E-04 -0.28635E-06 2312 0.128E-03 0.172E-03
DAV: 19 -0.452713779810E+04 -0.13070E-04 -0.14221E-06 2280 0.117E-03 0.724E-04
DAV: 20 -0.452713780586E+04 -0.77600E-05 -0.99171E-07 2248 0.715E-04
18 F= -.45271378E+04 E0= -.45271861E+04 d E =-.642374E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.452763559816E+04 -0.49780E+00 -0.42479E+02 3176 0.196E+01 0.448E+00
DAV: 2 -0.452865348740E+04 -0.10179E+01 -0.12405E+01 3600 0.306E+00 0.289E+00
DAV: 3 -0.452859943447E+04 0.54053E-01 -0.34145E-01 3760 0.590E-01 0.188E+00
DAV: 4 -0.452858531266E+04 0.14122E-01 -0.19191E-01 3560 0.603E-01 0.728E-01
DAV: 5 -0.452858863732E+04 -0.33247E-02 -0.43479E-02 3600 0.212E-01 0.491E-01
DAV: 6 -0.452858640777E+04 0.22296E-02 -0.26408E-02 3624 0.213E-01 0.156E-01
DAV: 7 -0.452858660585E+04 -0.19809E-03 -0.51565E-03 3704 0.682E-02 0.108E-01
DAV: 8 -0.452858655031E+04 0.55545E-04 -0.72460E-04 3544 0.354E-02 0.492E-02
DAV: 9 -0.452858663550E+04 -0.85193E-04 -0.41286E-04 3536 0.227E-02 0.284E-02
DAV: 10 -0.452858669070E+04 -0.55200E-04 -0.48169E-05 3400 0.993E-03 0.159E-02
DAV: 11 -0.452858676638E+04 -0.75679E-04 -0.50599E-05 3184 0.971E-03 0.764E-03
DAV: 12 -0.452858681433E+04 -0.47947E-04 -0.10229E-05 2352 0.408E-03 0.601E-03
DAV: 13 -0.452858686947E+04 -0.55144E-04 -0.74932E-06 2328 0.328E-03 0.264E-03
DAV: 14 -0.452858690782E+04 -0.38354E-04 -0.39119E-06 2320 0.215E-03 0.202E-03
DAV: 15 -0.452858693313E+04 -0.25309E-04 -0.22945E-06 2304 0.158E-03 0.116E-03
DAV: 16 -0.452858694542E+04 -0.12285E-04 -0.13948E-06 2240 0.105E-03 0.114E-03
DAV: 17 -0.452858695128E+04 -0.58628E-05 -0.56442E-07 2216 0.638E-04
19 F= -.45285870E+04 E0= -.45286356E+04 d E =-.787288E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.452416269755E+04 0.44242E+01 -0.37369E+03 3176 0.582E+01 0.138E+01
DAV: 2 -0.453451347251E+04 -0.10351E+02 -0.12183E+02 3592 0.938E+00 0.874E+00
DAV: 3 -0.453400976231E+04 0.50371E+00 -0.27366E+00 3728 0.174E+00 0.586E+00
DAV: 4 -0.453386044487E+04 0.14932E+00 -0.19413E+00 3600 0.191E+00 0.223E+00
DAV: 5 -0.453389170662E+04 -0.31262E-01 -0.41166E-01 3648 0.649E-01 0.154E+00
DAV: 6 -0.453387061740E+04 0.21089E-01 -0.23104E-01 3664 0.623E-01 0.466E-01
DAV: 7 -0.453387194088E+04 -0.13235E-02 -0.45749E-02 3600 0.204E-01 0.300E-01
DAV: 8 -0.453387101256E+04 0.92833E-03 -0.76453E-03 3608 0.126E-01 0.112E-01
DAV: 9 -0.453387130118E+04 -0.28862E-03 -0.31606E-03 3552 0.588E-02 0.877E-02
DAV: 10 -0.453387131296E+04 -0.11783E-04 -0.37556E-04 3528 0.293E-02 0.470E-02
DAV: 11 -0.453387144611E+04 -0.13315E-03 -0.42717E-04 3552 0.264E-02 0.228E-02
DAV: 12 -0.453387158697E+04 -0.14086E-03 -0.77357E-05 3560 0.119E-02 0.180E-02
DAV: 13 -0.453387173882E+04 -0.15185E-03 -0.35062E-05 3024 0.899E-03 0.783E-03
DAV: 14 -0.453387187662E+04 -0.13780E-03 -0.20964E-05 2600 0.668E-03 0.581E-03
DAV: 15 -0.453387198831E+04 -0.11169E-03 -0.12010E-05 2400 0.446E-03 0.400E-03
DAV: 16 -0.453387204123E+04 -0.52920E-04 -0.58260E-06 2352 0.247E-03 0.246E-03
DAV: 17 -0.453387208152E+04 -0.40291E-04 -0.31798E-06 2280 0.156E-03 0.118E-03
DAV: 18 -0.453387210897E+04 -0.27445E-04 -0.24950E-06 2344 0.111E-03 0.134E-03
DAV: 19 -0.453387211808E+04 -0.91100E-05 -0.89895E-07 2280 0.906E-04
20 F= -.45338721E+04 E0= -.45339220E+04 d E =-.528517E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.453388428701E+04 -0.12178E-01 -0.17753E+02 3184 0.127E+01 0.282E+00
DAV: 2 -0.453429155383E+04 -0.40727E+00 -0.49469E+00 3576 0.195E+00 0.176E+00
DAV: 3 -0.453427492442E+04 0.16629E-01 -0.11310E-01 3760 0.347E-01 0.117E+00
DAV: 4 -0.453427340747E+04 0.15170E-02 -0.78766E-02 3576 0.396E-01 0.441E-01
DAV: 5 -0.453427513318E+04 -0.17257E-02 -0.17188E-02 3640 0.137E-01 0.318E-01
DAV: 6 -0.453427424647E+04 0.88670E-03 -0.10621E-02 3648 0.134E-01 0.961E-02
DAV: 7 -0.453427433491E+04 -0.88434E-04 -0.19973E-03 3552 0.405E-02 0.638E-02
DAV: 8 -0.453427431596E+04 0.18947E-04 -0.24358E-04 3568 0.218E-02 0.285E-02
DAV: 9 -0.453427434295E+04 -0.26986E-04 -0.13750E-04 3512 0.131E-02 0.170E-02
DAV: 10 -0.453427435872E+04 -0.15770E-04 -0.15984E-05 2304 0.605E-03 0.954E-03
DAV: 11 -0.453427437881E+04 -0.20097E-04 -0.18658E-05 2488 0.555E-03 0.470E-03
DAV: 12 -0.453427439466E+04 -0.15842E-04 -0.40907E-06 2216 0.251E-03 0.420E-03
DAV: 13 -0.453427441669E+04 -0.22035E-04 -0.31429E-06 2304 0.260E-03 0.171E-03
DAV: 14 -0.453427442989E+04 -0.13197E-04 -0.23990E-06 2256 0.173E-03 0.177E-03
DAV: 15 -0.453427443791E+04 -0.80248E-05 -0.91167E-07 2248 0.108E-03
21 F= -.45342744E+04 E0= -.45343240E+04 d E =-.568749E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.453184674233E+04 0.24277E+01 -0.30266E+03 3184 0.523E+01 0.123E+01
DAV: 2 -0.454005179583E+04 -0.82051E+01 -0.96509E+01 3624 0.835E+00 0.740E+00
DAV: 3 -0.453967010987E+04 0.38169E+00 -0.19325E+00 3760 0.153E+00 0.492E+00
DAV: 4 -0.453961280452E+04 0.57305E-01 -0.14996E+00 3600 0.169E+00 0.191E+00
DAV: 5 -0.453963747835E+04 -0.24674E-01 -0.30952E-01 3584 0.573E-01 0.130E+00
DAV: 6 -0.453962724605E+04 0.10232E-01 -0.14854E-01 3608 0.498E-01 0.485E-01
DAV: 7 -0.453962753730E+04 -0.29125E-03 -0.42072E-02 3552 0.227E-01 0.317E-01
DAV: 8 -0.453962686332E+04 0.67398E-03 -0.79055E-03 3496 0.110E-01 0.205E-01
DAV: 9 -0.453962702347E+04 -0.16015E-03 -0.79000E-03 3592 0.115E-01 0.956E-02
DAV: 10 -0.453962731399E+04 -0.29053E-03 -0.11964E-03 3688 0.423E-02 0.534E-02
DAV: 11 -0.453962770948E+04 -0.39549E-03 -0.43281E-04 3576 0.227E-02 0.187E-02
DAV: 12 -0.453962802462E+04 -0.31514E-03 -0.57926E-05 3352 0.105E-02 0.126E-02
DAV: 13 -0.453962838236E+04 -0.35773E-03 -0.48836E-05 3136 0.101E-02 0.756E-03
DAV: 14 -0.453962861493E+04 -0.23257E-03 -0.31461E-05 2920 0.699E-03 0.670E-03
DAV: 15 -0.453962876741E+04 -0.15248E-03 -0.19449E-05 2624 0.532E-03 0.350E-03
DAV: 16 -0.453962881990E+04 -0.52488E-04 -0.60381E-06 2368 0.227E-03 0.312E-03
DAV: 17 -0.453962886335E+04 -0.43449E-04 -0.39328E-06 2320 0.171E-03 0.123E-03
DAV: 18 -0.453962889074E+04 -0.27399E-04 -0.26648E-06 2312 0.121E-03 0.144E-03
DAV: 19 -0.453962890167E+04 -0.10921E-04 -0.10708E-06 2288 0.987E-04 0.521E-04
DAV: 20 -0.453962890898E+04 -0.73178E-05 -0.89101E-07 2216 0.689E-04
22 F= -.45396289E+04 E0= -.45396798E+04 d E =-.535447E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.453961549203E+04 0.13410E-01 -0.17186E+01 3184 0.394E+00 0.864E-01
DAV: 2 -0.453965416981E+04 -0.38678E-01 -0.46998E-01 3552 0.599E-01 0.510E-01
DAV: 3 -0.453965280411E+04 0.13657E-02 -0.93665E-03 3688 0.104E-01 0.330E-01
DAV: 4 -0.453965324898E+04 -0.44487E-03 -0.74054E-03 3520 0.122E-01 0.125E-01
DAV: 5 -0.453965344437E+04 -0.19538E-03 -0.16519E-03 3536 0.426E-02 0.960E-02
DAV: 6 -0.453965338635E+04 0.58016E-04 -0.65936E-04 3552 0.332E-02 0.406E-02
DAV: 7 -0.453965339015E+04 -0.37981E-05 -0.29569E-04 3432 0.191E-02 0.235E-02
DAV: 8 -0.453965338965E+04 0.50175E-06 -0.40020E-05 3296 0.730E-03
23 F= -.45396534E+04 E0= -.45397043E+04 d E =-.537895E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.453645677910E+04 0.31966E+01 -0.30931E+03 3184 0.527E+01 0.121E+01
DAV: 2 -0.454494105499E+04 -0.84843E+01 -0.97789E+01 3592 0.835E+00 0.732E+00
DAV: 3 -0.454459184510E+04 0.34921E+00 -0.18771E+00 3744 0.148E+00 0.487E+00
DAV: 4 -0.454453294133E+04 0.58904E-01 -0.14487E+00 3616 0.166E+00 0.185E+00
DAV: 5 -0.454455893861E+04 -0.25997E-01 -0.29747E-01 3656 0.543E-01 0.128E+00
DAV: 6 -0.454454761376E+04 0.11325E-01 -0.16795E-01 3656 0.515E-01 0.386E-01
DAV: 7 -0.454454865230E+04 -0.10385E-02 -0.31393E-02 3664 0.175E-01 0.279E-01
DAV: 8 -0.454454792985E+04 0.72245E-03 -0.64286E-03 3608 0.112E-01 0.107E-01
DAV: 9 -0.454454833334E+04 -0.40348E-03 -0.31784E-03 3592 0.583E-02 0.796E-02
DAV: 10 -0.454454846819E+04 -0.13486E-03 -0.36184E-04 3544 0.270E-02 0.323E-02
DAV: 11 -0.454454867038E+04 -0.20218E-03 -0.24962E-04 3568 0.173E-02 0.172E-02
DAV: 12 -0.454454884677E+04 -0.17639E-03 -0.29355E-05 2784 0.712E-03 0.118E-02
DAV: 13 -0.454454906347E+04 -0.21670E-03 -0.42452E-05 3120 0.823E-03 0.551E-03
DAV: 14 -0.454454916910E+04 -0.10563E-03 -0.15428E-05 2576 0.420E-03 0.565E-03
DAV: 15 -0.454454926140E+04 -0.92296E-04 -0.93113E-06 2520 0.267E-03 0.296E-03
DAV: 16 -0.454454931040E+04 -0.49002E-04 -0.36020E-06 2376 0.152E-03 0.164E-03
DAV: 17 -0.454454935390E+04 -0.43502E-04 -0.36346E-06 2360 0.138E-03 0.992E-04
DAV: 18 -0.454454937451E+04 -0.20608E-04 -0.17971E-06 2336 0.831E-04 0.979E-04
DAV: 19 -0.454454938152E+04 -0.70157E-05 -0.86241E-07 2288 0.765E-04
24 F= -.45445494E+04 E0= -.45446010E+04 d E =-.489599E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.454454203649E+04 0.73380E-02 -0.92394E+00 3184 0.288E+00 0.615E-01
DAV: 2 -0.454456272821E+04 -0.20692E-01 -0.24870E-01 3528 0.435E-01 0.369E-01
DAV: 3 -0.454456211417E+04 0.61403E-03 -0.47981E-03 3656 0.737E-02 0.240E-01
DAV: 4 -0.454456236142E+04 -0.24725E-03 -0.38224E-03 3528 0.879E-02 0.884E-02
DAV: 5 -0.454456248090E+04 -0.11948E-03 -0.84687E-04 3608 0.293E-02 0.693E-02
DAV: 6 -0.454456244777E+04 0.33136E-04 -0.49689E-04 3584 0.282E-02 0.206E-02
DAV: 7 -0.454456245320E+04 -0.54294E-05 -0.97901E-05 3232 0.914E-03
25 F= -.45445625E+04 E0= -.45446140E+04 d E =-.490906E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.454190544129E+04 0.26570E+01 -0.25121E+03 3184 0.476E+01 0.105E+01
DAV: 2 -0.454862644014E+04 -0.67210E+01 -0.76920E+01 3584 0.746E+00 0.644E+00
DAV: 3 -0.454836603899E+04 0.26040E+00 -0.14641E+00 3736 0.129E+00 0.428E+00
DAV: 4 -0.454832100506E+04 0.45034E-01 -0.11727E+00 3576 0.150E+00 0.158E+00
DAV: 5 -0.454834210308E+04 -0.21098E-01 -0.24883E-01 3544 0.492E-01 0.117E+00
DAV: 6 -0.454833028954E+04 0.11814E-01 -0.14255E-01 3648 0.475E-01 0.355E-01
DAV: 7 -0.454833088629E+04 -0.59675E-03 -0.26318E-02 3600 0.154E-01 0.245E-01
DAV: 8 -0.454833030183E+04 0.58446E-03 -0.43647E-03 3536 0.881E-02 0.109E-01
DAV: 9 -0.454833047309E+04 -0.17126E-03 -0.29284E-03 3560 0.600E-02 0.829E-02
DAV: 10 -0.454833046173E+04 0.11363E-04 -0.39107E-04 3584 0.293E-02 0.342E-02
DAV: 11 -0.454833055167E+04 -0.89939E-04 -0.28508E-04 3560 0.183E-02 0.173E-02
DAV: 12 -0.454833061418E+04 -0.62512E-04 -0.28666E-05 2624 0.772E-03 0.937E-03
DAV: 13 -0.454833070520E+04 -0.91018E-04 -0.20087E-05 2592 0.648E-03 0.520E-03
DAV: 14 -0.454833076167E+04 -0.56469E-04 -0.10639E-05 2288 0.433E-03 0.442E-03
DAV: 15 -0.454833080471E+04 -0.43047E-04 -0.76600E-06 2296 0.360E-03 0.237E-03
DAV: 16 -0.454833082170E+04 -0.16984E-04 -0.26277E-06 2264 0.152E-03 0.217E-03
DAV: 17 -0.454833083461E+04 -0.12917E-04 -0.14872E-06 2216 0.124E-03 0.863E-04
DAV: 18 -0.454833084303E+04 -0.84205E-05 -0.99318E-07 2224 0.838E-04
26 F= -.45483308E+04 E0= -.45483808E+04 d E =-.376839E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.454833063271E+04 0.20190E-03 -0.26617E-01 3232 0.490E-01 0.103E-01
DAV: 2 -0.454833121174E+04 -0.57903E-03 -0.71673E-03 3552 0.741E-02 0.626E-02
DAV: 3 -0.454833120261E+04 0.91253E-05 -0.13795E-04 3600 0.123E-02 0.410E-02
DAV: 4 -0.454833122540E+04 -0.22791E-04 -0.10519E-04 3312 0.146E-02 0.150E-02
DAV: 5 -0.454833123093E+04 -0.55248E-05 -0.23078E-05 2424 0.496E-03
27 F= -.45483312E+04 E0= -.45483812E+04 d E =-.376878E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.454499656006E+04 0.33347E+01 -0.24296E+03 3184 0.467E+01 0.106E+01
DAV: 2 -0.455156176323E+04 -0.65652E+01 -0.76057E+01 3584 0.740E+00 0.635E+00
DAV: 3 -0.455131082236E+04 0.25094E+00 -0.13910E+00 3752 0.128E+00 0.427E+00
DAV: 4 -0.455127202090E+04 0.38801E-01 -0.12843E+00 3584 0.155E+00 0.160E+00
DAV: 5 -0.455128681692E+04 -0.14796E-01 -0.25865E-01 3592 0.514E-01 0.123E+00
DAV: 6 -0.455127419902E+04 0.12618E-01 -0.14092E-01 3592 0.466E-01 0.376E-01
DAV: 7 -0.455127513825E+04 -0.93923E-03 -0.29452E-02 3568 0.169E-01 0.247E-01
DAV: 8 -0.455127484511E+04 0.29314E-03 -0.48318E-03 3552 0.847E-02 0.143E-01
DAV: 9 -0.455127504423E+04 -0.19912E-03 -0.35323E-03 3576 0.716E-02 0.725E-02
DAV: 10 -0.455127526334E+04 -0.21911E-03 -0.52214E-04 3776 0.301E-02 0.334E-02
DAV: 11 -0.455127551706E+04 -0.25371E-03 -0.20525E-04 3536 0.154E-02 0.164E-02
DAV: 12 -0.455127568089E+04 -0.16383E-03 -0.29112E-05 2888 0.767E-03 0.908E-03
DAV: 13 -0.455127591108E+04 -0.23019E-03 -0.38344E-05 3128 0.777E-03 0.863E-03
DAV: 14 -0.455127600841E+04 -0.97331E-04 -0.12473E-05 2424 0.461E-03 0.641E-03
DAV: 15 -0.455127608653E+04 -0.78116E-04 -0.18147E-05 2632 0.511E-03 0.529E-03
DAV: 16 -0.455127611610E+04 -0.29570E-04 -0.34328E-06 2312 0.212E-03 0.377E-03
DAV: 17 -0.455127614523E+04 -0.29131E-04 -0.46432E-06 2312 0.230E-03 0.151E-03
DAV: 18 -0.455127616001E+04 -0.14787E-04 -0.13363E-06 2280 0.978E-04 0.130E-03
DAV: 19 -0.455127616930E+04 -0.92900E-05 -0.10429E-06 2272 0.102E-03
28 F= -.45512762E+04 E0= -.45513256E+04 d E =-.294494E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.455126031871E+04 0.15841E-01 -0.19999E+01 3184 0.424E+00 0.896E-01
DAV: 2 -0.455130570443E+04 -0.45386E-01 -0.53852E-01 3568 0.641E-01 0.535E-01
DAV: 3 -0.455130449558E+04 0.12089E-02 -0.99927E-03 3672 0.105E-01 0.349E-01
DAV: 4 -0.455130500372E+04 -0.50814E-03 -0.79907E-03 3576 0.126E-01 0.128E-01
DAV: 5 -0.455130522554E+04 -0.22183E-03 -0.18811E-03 3560 0.439E-02 0.101E-01
DAV: 6 -0.455130515168E+04 0.73866E-04 -0.79688E-04 3640 0.354E-02 0.389E-02
DAV: 7 -0.455130516259E+04 -0.10914E-04 -0.29215E-04 3424 0.174E-02 0.235E-02
DAV: 8 -0.455130515874E+04 0.38520E-05 -0.27752E-05 2600 0.676E-03
29 F= -.45513052E+04 E0= -.45513546E+04 d E =-.297393E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.454998318582E+04 0.13220E+01 -0.15697E+03 3176 0.374E+01 0.855E+00
DAV: 2 -0.455400668513E+04 -0.40235E+01 -0.47155E+01 3592 0.585E+00 0.497E+00
DAV: 3 -0.455386072491E+04 0.14596E+00 -0.87481E-01 3704 0.100E+00 0.331E+00
DAV: 4 -0.455385048911E+04 0.10236E-01 -0.78504E-01 3616 0.122E+00 0.126E+00
DAV: 5 -0.455385927968E+04 -0.87906E-02 -0.16072E-01 3576 0.408E-01 0.980E-01
DAV: 6 -0.455385107174E+04 0.82079E-02 -0.91231E-02 3656 0.369E-01 0.280E-01
DAV: 7 -0.455385171243E+04 -0.64069E-03 -0.16456E-02 3632 0.123E-01 0.180E-01
DAV: 8 -0.455385160923E+04 0.10320E-03 -0.23358E-03 3592 0.628E-02 0.901E-02
DAV: 9 -0.455385176457E+04 -0.15534E-03 -0.13936E-03 3592 0.409E-02 0.462E-02
DAV: 10 -0.455385191536E+04 -0.15080E-03 -0.17616E-04 3576 0.159E-02 0.237E-02
DAV: 11 -0.455385207622E+04 -0.16085E-03 -0.10022E-04 3376 0.119E-02 0.124E-02
DAV: 12 -0.455385219558E+04 -0.11936E-03 -0.22615E-05 2656 0.684E-03 0.764E-03
DAV: 13 -0.455385234508E+04 -0.14950E-03 -0.28091E-05 2992 0.666E-03 0.644E-03
DAV: 14 -0.455385241767E+04 -0.72592E-04 -0.10112E-05 2456 0.371E-03 0.468E-03
DAV: 15 -0.455385250044E+04 -0.82775E-04 -0.13364E-05 2600 0.354E-03 0.361E-03
DAV: 16 -0.455385253220E+04 -0.31759E-04 -0.24983E-06 2392 0.159E-03 0.239E-03
DAV: 17 -0.455385256282E+04 -0.30620E-04 -0.46405E-06 2352 0.218E-03 0.227E-03
DAV: 18 -0.455385257685E+04 -0.14025E-04 -0.12803E-06 2288 0.100E-03 0.168E-03
DAV: 19 -0.455385258532E+04 -0.84755E-05 -0.14764E-06 2272 0.125E-03
30 F= -.45538526E+04 E0= -.45539027E+04 d E =-.254743E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.455384723223E+04 0.53446E-02 -0.64013E+00 3168 0.239E+00 0.519E-01
DAV: 2 -0.455386161100E+04 -0.14379E-01 -0.17306E-01 3536 0.362E-01 0.303E-01
DAV: 3 -0.455386124211E+04 0.36889E-03 -0.32647E-03 3648 0.606E-02 0.196E-01
DAV: 4 -0.455386146115E+04 -0.21904E-03 -0.25867E-03 3560 0.713E-02 0.725E-02
DAV: 5 -0.455386154353E+04 -0.82380E-04 -0.56286E-04 3584 0.244E-02 0.562E-02
DAV: 6 -0.455386152524E+04 0.18290E-04 -0.33059E-04 3544 0.225E-02 0.166E-02
DAV: 7 -0.455386152892E+04 -0.36753E-05 -0.54777E-05 2624 0.678E-03
31 F= -.45538615E+04 E0= -.45539117E+04 d E =-.255637E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.455229487955E+04 0.15666E+01 -0.15098E+03 3168 0.367E+01 0.840E+00
DAV: 2 -0.455610189904E+04 -0.38070E+01 -0.44684E+01 3584 0.574E+00 0.487E+00
DAV: 3 -0.455595921279E+04 0.14269E+00 -0.87514E-01 3720 0.100E+00 0.318E+00
DAV: 4 -0.455595211266E+04 0.71001E-02 -0.77202E-01 3576 0.121E+00 0.122E+00
DAV: 5 -0.455596035790E+04 -0.82452E-02 -0.15935E-01 3544 0.412E-01 0.969E-01
DAV: 6 -0.455595183299E+04 0.85249E-02 -0.86786E-02 3688 0.361E-01 0.286E-01
DAV: 7 -0.455595226668E+04 -0.43369E-03 -0.17011E-02 3584 0.128E-01 0.182E-01
DAV: 8 -0.455595201904E+04 0.24764E-03 -0.21283E-03 3576 0.624E-02 0.870E-02
DAV: 9 -0.455595209754E+04 -0.78497E-04 -0.13371E-03 3568 0.401E-02 0.439E-02
DAV: 10 -0.455595217747E+04 -0.79934E-04 -0.14107E-04 3552 0.156E-02 0.221E-02
DAV: 11 -0.455595228166E+04 -0.10419E-03 -0.74242E-05 3320 0.117E-02 0.104E-02
DAV: 12 -0.455595236416E+04 -0.82497E-04 -0.20945E-05 2528 0.706E-03 0.647E-03
DAV: 13 -0.455595245613E+04 -0.91971E-04 -0.11486E-05 2376 0.569E-03 0.431E-03
DAV: 14 -0.455595251192E+04 -0.55790E-04 -0.89585E-06 2368 0.421E-03 0.314E-03
DAV: 15 -0.455595254469E+04 -0.32770E-04 -0.54768E-06 2280 0.298E-03 0.209E-03
DAV: 16 -0.455595255730E+04 -0.12608E-04 -0.22036E-06 2224 0.141E-03 0.170E-03
DAV: 17 -0.455595256832E+04 -0.11028E-04 -0.15728E-06 2232 0.141E-03 0.104E-03
DAV: 18 -0.455595257272E+04 -0.43927E-05 -0.65143E-07 2184 0.735E-04
32 F= -.45559526E+04 E0= -.45560024E+04 d E =-.209104E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.455595029753E+04 0.22708E-02 -0.34202E+00 3184 0.175E+00 0.386E-01
DAV: 2 -0.455595787505E+04 -0.75775E-02 -0.93085E-02 3576 0.266E-01 0.226E-01
DAV: 3 -0.455595766608E+04 0.20897E-03 -0.18123E-03 3632 0.460E-02 0.146E-01
DAV: 4 -0.455595783409E+04 -0.16801E-03 -0.14956E-03 3568 0.538E-02 0.548E-02
DAV: 5 -0.455595787654E+04 -0.42446E-04 -0.31781E-04 3648 0.188E-02 0.419E-02
DAV: 6 -0.455595786522E+04 0.11317E-04 -0.18195E-04 3352 0.168E-02 0.124E-02
DAV: 7 -0.455595786649E+04 -0.12691E-05 -0.31956E-05 2432 0.531E-03
33 F= -.45559579E+04 E0= -.45560077E+04 d E =-.209634E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.455512038747E+04 0.83748E+00 -0.11002E+03 3168 0.313E+01 0.717E+00
DAV: 2 -0.455782465303E+04 -0.27043E+01 -0.31902E+01 3552 0.484E+00 0.426E+00
DAV: 3 -0.455772743969E+04 0.97213E-01 -0.64512E-01 3728 0.849E-01 0.280E+00
DAV: 4 -0.455772237695E+04 0.50627E-02 -0.54445E-01 3584 0.100E+00 0.105E+00
DAV: 5 -0.455772896259E+04 -0.65856E-02 -0.10848E-01 3584 0.339E-01 0.802E-01
DAV: 6 -0.455772304239E+04 0.59202E-02 -0.66298E-02 3624 0.321E-01 0.235E-01
DAV: 7 -0.455772352606E+04 -0.48367E-03 -0.12153E-02 3608 0.106E-01 0.162E-01
DAV: 8 -0.455772340360E+04 0.12246E-03 -0.18582E-03 3536 0.553E-02 0.787E-02
DAV: 9 -0.455772353560E+04 -0.13200E-03 -0.11265E-03 3576 0.379E-02 0.446E-02
DAV: 10 -0.455772363529E+04 -0.99694E-04 -0.14248E-04 3648 0.171E-02 0.191E-02
DAV: 11 -0.455772373781E+04 -0.10251E-03 -0.84455E-05 3344 0.104E-02 0.109E-02
DAV: 12 -0.455772380542E+04 -0.67619E-04 -0.14138E-05 2408 0.589E-03 0.530E-03
DAV: 13 -0.455772388230E+04 -0.76873E-04 -0.12963E-05 2424 0.496E-03 0.469E-03
DAV: 14 -0.455772391882E+04 -0.36528E-04 -0.68625E-06 2336 0.322E-03 0.326E-03
DAV: 15 -0.455772394447E+04 -0.25646E-04 -0.48688E-06 2272 0.273E-03 0.258E-03
DAV: 16 -0.455772395486E+04 -0.10390E-04 -0.15282E-06 2224 0.117E-03 0.191E-03
DAV: 17 -0.455772396285E+04 -0.79854E-05 -0.14439E-06 2240 0.133E-03
34 F= -.45577240E+04 E0= -.45577736E+04 d E =-.176610E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.455772392087E+04 0.33989E-04 -0.76205E-02 3200 0.260E-01 0.581E-02
DAV: 2 -0.455772408355E+04 -0.16267E-03 -0.20673E-03 3576 0.396E-02 0.346E-02
DAV: 3 -0.455772408148E+04 0.20630E-05 -0.41877E-05 3104 0.689E-03
35 F= -.45577241E+04 E0= -.45577737E+04 d E =-.176621E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.455659724962E+04 0.11268E+01 -0.10794E+03 3168 0.309E+01 0.709E+00
DAV: 2 -0.455926583435E+04 -0.26686E+01 -0.31512E+01 3600 0.478E+00 0.421E+00
DAV: 3 -0.455917516265E+04 0.90672E-01 -0.61692E-01 3696 0.808E-01 0.278E+00
DAV: 4 -0.455917097408E+04 0.41886E-02 -0.51126E-01 3600 0.991E-01 0.104E+00
DAV: 5 -0.455917707183E+04 -0.60978E-02 -0.10716E-01 3584 0.331E-01 0.815E-01
DAV: 6 -0.455917071361E+04 0.63582E-02 -0.67553E-02 3624 0.320E-01 0.228E-01
DAV: 7 -0.455917127567E+04 -0.56205E-03 -0.11900E-02 3624 0.102E-01 0.159E-01
DAV: 8 -0.455917118015E+04 0.95517E-04 -0.15675E-03 3608 0.521E-02 0.817E-02
DAV: 9 -0.455917130080E+04 -0.12065E-03 -0.10897E-03 3584 0.375E-02 0.377E-02
DAV: 10 -0.455917143381E+04 -0.13301E-03 -0.13364E-04 3592 0.137E-02 0.200E-02
DAV: 11 -0.455917156439E+04 -0.13058E-03 -0.58767E-05 3288 0.892E-03 0.961E-03
DAV: 12 -0.455917165172E+04 -0.87330E-04 -0.13366E-05 2432 0.500E-03 0.589E-03
DAV: 13 -0.455917178201E+04 -0.13029E-03 -0.17748E-05 2640 0.483E-03 0.406E-03
DAV: 14 -0.455917184475E+04 -0.62736E-04 -0.80629E-06 2456 0.289E-03 0.296E-03
DAV: 15 -0.455917189036E+04 -0.45613E-04 -0.52020E-06 2344 0.217E-03 0.203E-03
DAV: 16 -0.455917191025E+04 -0.19883E-04 -0.18542E-06 2312 0.107E-03 0.139E-03
DAV: 17 -0.455917192460E+04 -0.14351E-04 -0.19279E-06 2312 0.127E-03 0.118E-03
DAV: 18 -0.455917192961E+04 -0.50142E-05 -0.68812E-07 2256 0.646E-04
36 F= -.45591719E+04 E0= -.45592216E+04 d E =-.144785E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.455916983480E+04 0.20898E-02 -0.26310E+00 3184 0.153E+00 0.340E-01
DAV: 2 -0.455917563604E+04 -0.58012E-02 -0.71040E-02 3568 0.231E-01 0.200E-01
DAV: 3 -0.455917549097E+04 0.14506E-03 -0.14009E-03 3608 0.387E-02 0.129E-01
DAV: 4 -0.455917561417E+04 -0.12319E-03 -0.11037E-03 3600 0.468E-02 0.481E-02
DAV: 5 -0.455917564758E+04 -0.33417E-04 -0.24087E-04 3584 0.157E-02 0.380E-02
DAV: 6 -0.455917563600E+04 0.11586E-04 -0.14959E-04 3256 0.152E-02 0.110E-02
DAV: 7 -0.455917563740E+04 -0.14034E-05 -0.28560E-05 2384 0.487E-03
37 F= -.45591756E+04 E0= -.45592253E+04 d E =-.145156E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.455853613399E+04 0.63950E+00 -0.91181E+02 3168 0.284E+01 0.642E+00
DAV: 2 -0.456073690357E+04 -0.22008E+01 -0.25957E+01 3576 0.437E+00 0.379E+00
DAV: 3 -0.456065732862E+04 0.79575E-01 -0.51376E-01 3704 0.745E-01 0.245E+00
DAV: 4 -0.456065640373E+04 0.92489E-03 -0.40684E-01 3528 0.881E-01 0.906E-01
DAV: 5 -0.456066338229E+04 -0.69786E-02 -0.88763E-02 3544 0.298E-01 0.712E-01
DAV: 6 -0.456065881963E+04 0.45627E-02 -0.44477E-02 3616 0.261E-01 0.237E-01
DAV: 7 -0.456065901763E+04 -0.19800E-03 -0.10220E-02 3568 0.977E-02 0.144E-01
DAV: 8 -0.456065883315E+04 0.18448E-03 -0.12540E-03 3560 0.457E-02 0.786E-02
DAV: 9 -0.456065885802E+04 -0.24871E-04 -0.10628E-03 3568 0.391E-02 0.373E-02
DAV: 10 -0.456065888981E+04 -0.31782E-04 -0.14905E-04 3648 0.160E-02 0.171E-02
DAV: 11 -0.456065893376E+04 -0.43958E-04 -0.53778E-05 3048 0.789E-03 0.866E-03
DAV: 12 -0.456065896602E+04 -0.32253E-04 -0.80698E-06 2224 0.442E-03 0.508E-03
DAV: 13 -0.456065901364E+04 -0.47628E-04 -0.10822E-05 2272 0.487E-03 0.438E-03
DAV: 14 -0.456065903696E+04 -0.23320E-04 -0.53865E-06 2232 0.281E-03 0.366E-03
DAV: 15 -0.456065905691E+04 -0.19950E-04 -0.47680E-06 2272 0.288E-03 0.261E-03
DAV: 16 -0.456065906698E+04 -0.10063E-04 -0.16469E-06 2216 0.121E-03 0.226E-03
DAV: 17 -0.456065907227E+04 -0.52955E-05 -0.11121E-06 2200 0.130E-03
38 F= -.45606591E+04 E0= -.45607088E+04 d E =-.148343E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.456064035644E+04 0.18711E-01 -0.20647E+01 3168 0.428E+00 0.953E-01
DAV: 2 -0.456068604728E+04 -0.45691E-01 -0.55324E-01 3520 0.647E-01 0.561E-01
DAV: 3 -0.456068467317E+04 0.13741E-02 -0.10953E-02 3672 0.110E-01 0.361E-01
DAV: 4 -0.456068517751E+04 -0.50434E-03 -0.87592E-03 3544 0.131E-01 0.134E-01
DAV: 5 -0.456068538885E+04 -0.21134E-03 -0.19261E-03 3552 0.445E-02 0.105E-01
DAV: 6 -0.456068530237E+04 0.86482E-04 -0.10026E-03 3608 0.393E-02 0.350E-02
DAV: 7 -0.456068531150E+04 -0.91324E-05 -0.24974E-04 3520 0.150E-02 0.231E-02
DAV: 8 -0.456068530649E+04 0.50056E-05 -0.24988E-05 2416 0.690E-03
39 F= -.45606853E+04 E0= -.45607351E+04 d E =-.150967E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.456021351555E+04 0.47180E+00 -0.76413E+02 3168 0.259E+01 0.587E+00
DAV: 2 -0.456205319365E+04 -0.18397E+01 -0.21699E+01 3544 0.397E+00 0.348E+00
DAV: 3 -0.456198759684E+04 0.65597E-01 -0.41833E-01 3696 0.681E-01 0.225E+00
DAV: 4 -0.456198903390E+04 -0.14371E-02 -0.35179E-01 3552 0.810E-01 0.824E-01
DAV: 5 -0.456199338030E+04 -0.43464E-02 -0.74929E-02 3584 0.277E-01 0.646E-01
DAV: 6 -0.456198971907E+04 0.36612E-02 -0.36297E-02 3616 0.234E-01 0.218E-01
DAV: 7 -0.456198991456E+04 -0.19549E-03 -0.91318E-03 3584 0.955E-02 0.135E-01
DAV: 8 -0.456198979381E+04 0.12075E-03 -0.13051E-03 3544 0.444E-02 0.807E-02
DAV: 9 -0.456198982907E+04 -0.35265E-04 -0.11506E-03 3600 0.426E-02 0.387E-02
DAV: 10 -0.456198987803E+04 -0.48960E-04 -0.18627E-04 3880 0.175E-02 0.174E-02
DAV: 11 -0.456198993746E+04 -0.59425E-04 -0.48013E-05 3080 0.733E-03 0.762E-03
DAV: 12 -0.456198998718E+04 -0.49729E-04 -0.73799E-06 2296 0.406E-03 0.431E-03
DAV: 13 -0.456199005161E+04 -0.64428E-04 -0.96789E-06 2328 0.432E-03 0.390E-03
DAV: 14 -0.456199007837E+04 -0.26755E-04 -0.50486E-06 2304 0.256E-03 0.301E-03
DAV: 15 -0.456199010206E+04 -0.23690E-04 -0.39128E-06 2280 0.238E-03 0.246E-03
DAV: 16 -0.456199011158E+04 -0.95265E-05 -0.13398E-06 2216 0.104E-03
40 F= -.45619901E+04 E0= -.45620397E+04 d E =-.130481E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.456195355502E+04 0.36547E-01 -0.37139E+01 3168 0.572E+00 0.127E+00
DAV: 2 -0.456203629016E+04 -0.82735E-01 -0.99169E-01 3496 0.860E-01 0.754E-01
DAV: 3 -0.456203368348E+04 0.26067E-02 -0.19593E-02 3704 0.146E-01 0.484E-01
DAV: 4 -0.456203440458E+04 -0.72111E-03 -0.15710E-02 3496 0.173E-01 0.176E-01
DAV: 5 -0.456203470446E+04 -0.29988E-03 -0.34844E-03 3560 0.600E-02 0.138E-01
DAV: 6 -0.456203455303E+04 0.15143E-03 -0.15812E-03 3536 0.490E-02 0.506E-02
DAV: 7 -0.456203456726E+04 -0.14226E-04 -0.49490E-04 3576 0.225E-02 0.308E-02
DAV: 8 -0.456203456338E+04 0.38705E-05 -0.62215E-05 3496 0.956E-03
41 F= -.45620346E+04 E0= -.45620842E+04 d E =-.134926E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.456160108512E+04 0.43348E+00 -0.70477E+02 3168 0.248E+01 0.569E+00
DAV: 2 -0.456326634098E+04 -0.16653E+01 -0.19742E+01 3600 0.377E+00 0.326E+00
DAV: 3 -0.456320791670E+04 0.58424E-01 -0.36146E-01 3688 0.639E-01 0.210E+00
DAV: 4 -0.456321263211E+04 -0.47154E-02 -0.30845E-01 3608 0.759E-01 0.769E-01
DAV: 5 -0.456321586936E+04 -0.32372E-02 -0.64163E-02 3592 0.256E-01 0.591E-01
DAV: 6 -0.456321311624E+04 0.27531E-02 -0.38374E-02 3592 0.235E-01 0.170E-01
DAV: 7 -0.456321335512E+04 -0.23888E-03 -0.60236E-03 3552 0.729E-02 0.122E-01
DAV: 8 -0.456321329989E+04 0.55232E-04 -0.10087E-03 3584 0.417E-02 0.597E-02
DAV: 9 -0.456321338225E+04 -0.82361E-04 -0.60939E-04 3560 0.275E-02 0.285E-02
DAV: 10 -0.456321347886E+04 -0.96616E-04 -0.76055E-05 3544 0.103E-02 0.159E-02
DAV: 11 -0.456321357189E+04 -0.93028E-04 -0.35177E-05 3000 0.724E-03 0.733E-03
DAV: 12 -0.456321365620E+04 -0.84311E-04 -0.92635E-06 2408 0.385E-03 0.486E-03
DAV: 13 -0.456321377061E+04 -0.11441E-03 -0.14050E-05 2648 0.422E-03 0.338E-03
DAV: 14 -0.456321382041E+04 -0.49808E-04 -0.68233E-06 2392 0.281E-03 0.249E-03
DAV: 15 -0.456321385438E+04 -0.33971E-04 -0.35767E-06 2304 0.176E-03 0.159E-03
DAV: 16 -0.456321387039E+04 -0.16007E-04 -0.14638E-06 2272 0.867E-04 0.108E-03
DAV: 17 -0.456321388317E+04 -0.12782E-04 -0.13737E-06 2288 0.907E-04 0.671E-04
DAV: 18 -0.456321388706E+04 -0.38839E-05 -0.52125E-07 2240 0.472E-04
42 F= -.45632139E+04 E0= -.45632635E+04 d E =-.117932E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.456313422371E+04 0.79659E-01 -0.68428E+01 3168 0.773E+00 0.173E+00
DAV: 2 -0.456328471077E+04 -0.15049E+00 -0.18013E+00 3568 0.115E+00 0.988E-01
DAV: 3 -0.456328014902E+04 0.45618E-02 -0.32904E-02 3680 0.191E-01 0.627E-01
DAV: 4 -0.456328159231E+04 -0.14433E-02 -0.27081E-02 3584 0.227E-01 0.226E-01
DAV: 5 -0.456328197474E+04 -0.38244E-03 -0.57638E-03 3592 0.773E-02 0.177E-01
DAV: 6 -0.456328174500E+04 0.22975E-03 -0.36106E-03 3544 0.724E-02 0.509E-02
DAV: 7 -0.456328177560E+04 -0.30598E-04 -0.55172E-04 3576 0.213E-02 0.379E-02
DAV: 8 -0.456328177498E+04 0.61942E-06 -0.88126E-05 3544 0.123E-02
43 F= -.45632818E+04 E0= -.45633314E+04 d E =-.124721E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.456302989412E+04 0.25188E+00 -0.64048E+02 3168 0.236E+01 0.530E+00
DAV: 2 -0.456450840636E+04 -0.14785E+01 -0.17408E+01 3552 0.356E+00 0.310E+00
DAV: 3 -0.456446106609E+04 0.47340E-01 -0.32599E-01 3712 0.599E-01 0.200E+00
DAV: 4 -0.456446450337E+04 -0.34373E-02 -0.27141E-01 3552 0.710E-01 0.713E-01
DAV: 5 -0.456446728390E+04 -0.27805E-02 -0.56098E-02 3640 0.243E-01 0.547E-01
DAV: 6 -0.456446483772E+04 0.24462E-02 -0.34262E-02 3576 0.223E-01 0.158E-01
DAV: 7 -0.456446495770E+04 -0.11997E-03 -0.49468E-03 3608 0.665E-02 0.105E-01
DAV: 8 -0.456446490316E+04 0.54539E-04 -0.89930E-04 3560 0.382E-02 0.394E-02
DAV: 9 -0.456446494954E+04 -0.46385E-04 -0.30367E-04 3592 0.183E-02 0.257E-02
DAV: 10 -0.456446497387E+04 -0.24330E-04 -0.35548E-05 2864 0.827E-03 0.117E-02
DAV: 11 -0.456446499771E+04 -0.23833E-04 -0.24061E-05 2600 0.557E-03 0.521E-03
DAV: 12 -0.456446502037E+04 -0.22659E-04 -0.38680E-06 2248 0.262E-03 0.368E-03
DAV: 13 -0.456446504422E+04 -0.23859E-04 -0.31398E-06 2240 0.252E-03 0.227E-03
DAV: 14 -0.456446505528E+04 -0.11058E-04 -0.23553E-06 2224 0.177E-03 0.162E-03
DAV: 15 -0.456446506323E+04 -0.79486E-05 -0.10216E-06 2208 0.113E-03
44 F= -.45644651E+04 E0= -.45645148E+04 d E =-.118329E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.456427889999E+04 0.18616E+00 -0.15270E+02 3168 0.115E+01 0.254E+00
DAV: 2 -0.456461214813E+04 -0.33325E+00 -0.39625E+00 3576 0.172E+00 0.149E+00
DAV: 3 -0.456460222151E+04 0.99266E-02 -0.74351E-02 3688 0.285E-01 0.957E-01
DAV: 4 -0.456460445191E+04 -0.22304E-02 -0.60881E-02 3560 0.337E-01 0.339E-01
DAV: 5 -0.456460512766E+04 -0.67575E-03 -0.12546E-02 3640 0.117E-01 0.259E-01
DAV: 6 -0.456460461463E+04 0.51303E-03 -0.80911E-03 3592 0.109E-01 0.756E-02
DAV: 7 -0.456460464298E+04 -0.28351E-04 -0.11420E-03 3640 0.318E-02 0.520E-02
DAV: 8 -0.456460463200E+04 0.10986E-04 -0.21956E-04 3544 0.186E-02 0.181E-02
DAV: 9 -0.456460464610E+04 -0.14101E-04 -0.58613E-05 3032 0.794E-03 0.111E-02
DAV: 10 -0.456460465445E+04 -0.83542E-05 -0.65788E-06 2192 0.371E-03
45 F= -.45646047E+04 E0= -.45646545E+04 d E =-.132288E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.456428349055E+04 0.32116E+00 -0.66280E+02 3168 0.240E+01 0.540E+00
DAV: 2 -0.456578710140E+04 -0.15036E+01 -0.17766E+01 3544 0.358E+00 0.315E+00
DAV: 3 -0.456573857811E+04 0.48523E-01 -0.32956E-01 3704 0.609E-01 0.202E+00
DAV: 4 -0.456574309851E+04 -0.45204E-02 -0.27767E-01 3504 0.709E-01 0.719E-01
DAV: 5 -0.456574514643E+04 -0.20479E-02 -0.56031E-02 3640 0.248E-01 0.541E-01
DAV: 6 -0.456574290209E+04 0.22443E-02 -0.33026E-02 3576 0.220E-01 0.164E-01
DAV: 7 -0.456574306083E+04 -0.15875E-03 -0.51246E-03 3616 0.706E-02 0.117E-01
DAV: 8 -0.456574292789E+04 0.13294E-03 -0.99468E-04 3496 0.413E-02 0.548E-02
DAV: 9 -0.456574296604E+04 -0.38144E-04 -0.59100E-04 3584 0.272E-02 0.313E-02
DAV: 10 -0.456574298858E+04 -0.22545E-04 -0.73995E-05 3432 0.115E-02 0.146E-02
DAV: 11 -0.456574301528E+04 -0.26703E-04 -0.36981E-05 2848 0.691E-03 0.684E-03
DAV: 12 -0.456574303953E+04 -0.24247E-04 -0.52253E-06 2248 0.332E-03 0.394E-03
DAV: 13 -0.456574307154E+04 -0.32011E-04 -0.51771E-06 2312 0.330E-03 0.274E-03
DAV: 14 -0.456574309047E+04 -0.18931E-04 -0.32270E-06 2240 0.221E-03 0.218E-03
DAV: 15 -0.456574310338E+04 -0.12911E-04 -0.19302E-06 2240 0.171E-03 0.146E-03
DAV: 16 -0.456574310934E+04 -0.59583E-05 -0.77161E-07 2216 0.781E-04
46 F= -.45657431E+04 E0= -.45657932E+04 d E =-.113845E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.456554579455E+04 0.19731E+00 -0.15739E+02 3168 0.117E+01 0.259E+00
DAV: 2 -0.456588520140E+04 -0.33941E+00 -0.40443E+00 3504 0.173E+00 0.151E+00
DAV: 3 -0.456587525529E+04 0.99461E-02 -0.76353E-02 3712 0.291E-01 0.965E-01
DAV: 4 -0.456587755728E+04 -0.23020E-02 -0.61494E-02 3504 0.335E-01 0.339E-01
DAV: 5 -0.456587815928E+04 -0.60200E-03 -0.12657E-02 3616 0.118E-01 0.256E-01
DAV: 6 -0.456587767252E+04 0.48677E-03 -0.75754E-03 3616 0.106E-01 0.784E-02
DAV: 7 -0.456587771784E+04 -0.45326E-04 -0.12335E-03 3584 0.337E-02 0.590E-02
DAV: 8 -0.456587768417E+04 0.33672E-04 -0.21917E-04 3536 0.198E-02 0.270E-02
DAV: 9 -0.456587769762E+04 -0.13455E-04 -0.14346E-04 3504 0.133E-02 0.147E-02
DAV: 10 -0.456587770563E+04 -0.80104E-05 -0.13971E-05 2288 0.536E-03
47 F= -.45658777E+04 E0= -.45659278E+04 d E =-.127305E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.456515770417E+04 0.71999E+00 -0.77194E+02 3176 0.259E+01 0.588E+00
DAV: 2 -0.456694196196E+04 -0.17843E+01 -0.21047E+01 3552 0.388E+00 0.344E+00
DAV: 3 -0.456688027437E+04 0.61688E-01 -0.38790E-01 3712 0.660E-01 0.221E+00
DAV: 4 -0.456688301680E+04 -0.27424E-02 -0.32169E-01 3560 0.769E-01 0.779E-01
DAV: 5 -0.456688536316E+04 -0.23464E-02 -0.66686E-02 3592 0.268E-01 0.587E-01
DAV: 6 -0.456688281016E+04 0.25530E-02 -0.37995E-02 3560 0.234E-01 0.177E-01
DAV: 7 -0.456688299251E+04 -0.18235E-03 -0.58706E-03 3536 0.744E-02 0.125E-01
DAV: 8 -0.456688290430E+04 0.88210E-04 -0.11457E-03 3568 0.444E-02 0.589E-02
DAV: 9 -0.456688298680E+04 -0.82497E-04 -0.66706E-04 3576 0.292E-02 0.326E-02
DAV: 10 -0.456688305485E+04 -0.68055E-04 -0.91985E-05 3568 0.120E-02 0.163E-02
DAV: 11 -0.456688311956E+04 -0.64713E-04 -0.39288E-05 2984 0.696E-03 0.733E-03
DAV: 12 -0.456688317321E+04 -0.53646E-04 -0.70440E-06 2320 0.349E-03 0.438E-03
DAV: 13 -0.456688323853E+04 -0.65321E-04 -0.80175E-06 2376 0.359E-03 0.289E-03
DAV: 14 -0.456688327246E+04 -0.33931E-04 -0.47212E-06 2328 0.237E-03 0.229E-03
DAV: 15 -0.456688329280E+04 -0.20339E-04 -0.26410E-06 2312 0.172E-03 0.143E-03
DAV: 16 -0.456688330140E+04 -0.85972E-05 -0.11003E-06 2256 0.833E-04
48 F= -.45668833E+04 E0= -.45669335E+04 d E =-.100560E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.456685668428E+04 0.26609E-01 -0.22792E+01 3168 0.445E+00 0.987E-01
DAV: 2 -0.456690522444E+04 -0.48540E-01 -0.58266E-01 3520 0.656E-01 0.573E-01
DAV: 3 -0.456690388728E+04 0.13372E-02 -0.10862E-02 3680 0.110E-01 0.362E-01
DAV: 4 -0.456690442173E+04 -0.53445E-03 -0.85682E-03 3536 0.126E-01 0.127E-01
DAV: 5 -0.456690454882E+04 -0.12709E-03 -0.18061E-03 3576 0.441E-02 0.974E-02
DAV: 6 -0.456690448616E+04 0.62656E-04 -0.10415E-03 3600 0.392E-02 0.302E-02
DAV: 7 -0.456690449586E+04 -0.97009E-05 -0.18534E-04 3496 0.126E-02 0.230E-02
DAV: 8 -0.456690449322E+04 0.26360E-05 -0.25170E-05 2528 0.721E-03
49 F= -.45669045E+04 E0= -.45669547E+04 d E =-.102679E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.456661307789E+04 0.29142E+00 -0.52278E+02 3168 0.213E+01 0.481E+00
DAV: 2 -0.456778481051E+04 -0.11717E+01 -0.13874E+01 3544 0.317E+00 0.283E+00
DAV: 3 -0.456774323383E+04 0.41577E-01 -0.27384E-01 3720 0.546E-01 0.179E+00
DAV: 4 -0.456774491398E+04 -0.16801E-02 -0.20318E-01 3544 0.622E-01 0.627E-01
DAV: 5 -0.456774716722E+04 -0.22532E-02 -0.45886E-02 3584 0.218E-01 0.480E-01
DAV: 6 -0.456774531223E+04 0.18550E-02 -0.22477E-02 3536 0.182E-01 0.156E-01
DAV: 7 -0.456774540267E+04 -0.90445E-04 -0.45568E-03 3576 0.656E-02 0.106E-01
DAV: 8 -0.456774528143E+04 0.12124E-03 -0.63244E-04 3544 0.329E-02 0.587E-02
DAV: 9 -0.456774528540E+04 -0.39686E-05 -0.53617E-04 3552 0.278E-02 0.232E-02
DAV: 10 -0.456774530315E+04 -0.17747E-04 -0.73641E-05 3408 0.969E-03 0.141E-02
DAV: 11 -0.456774531969E+04 -0.16541E-04 -0.20938E-05 2536 0.509E-03 0.563E-03
DAV: 12 -0.456774533437E+04 -0.14686E-04 -0.43398E-06 2184 0.278E-03 0.332E-03
DAV: 13 -0.456774535327E+04 -0.18900E-04 -0.34927E-06 2256 0.280E-03 0.227E-03
DAV: 14 -0.456774536427E+04 -0.10994E-04 -0.23582E-06 2192 0.178E-03 0.186E-03
DAV: 15 -0.456774537131E+04 -0.70397E-05 -0.12673E-06 2176 0.136E-03
50 F= -.45677454E+04 E0= -.45677955E+04 d E =-.840878E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.456771731919E+04 0.28045E-01 -0.28232E+01 3168 0.496E+00 0.110E+00
DAV: 2 -0.456777719505E+04 -0.59876E-01 -0.72139E-01 3520 0.730E-01 0.649E-01
DAV: 3 -0.456777535829E+04 0.18368E-02 -0.14136E-02 3696 0.125E-01 0.409E-01
DAV: 4 -0.456777587466E+04 -0.51637E-03 -0.10652E-02 3584 0.143E-01 0.143E-01
DAV: 5 -0.456777603717E+04 -0.16251E-03 -0.24134E-03 3560 0.503E-02 0.111E-01
DAV: 6 -0.456777594539E+04 0.91782E-04 -0.11592E-03 3536 0.416E-02 0.376E-02
DAV: 7 -0.456777595413E+04 -0.87430E-05 -0.27859E-04 3544 0.162E-02 0.262E-02
DAV: 8 -0.456777594687E+04 0.72642E-05 -0.31962E-05 2808 0.765E-03
51 F= -.45677759E+04 E0= -.45678261E+04 d E =-.871454E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.456751215674E+04 0.26380E+00 -0.47810E+02 3168 0.204E+01 0.467E+00
DAV: 2 -0.456856255008E+04 -0.10504E+01 -0.12634E+01 3560 0.304E+00 0.278E+00
DAV: 3 -0.456852387903E+04 0.38671E-01 -0.26853E-01 3704 0.541E-01 0.177E+00
DAV: 4 -0.456852601136E+04 -0.21323E-02 -0.20431E-01 3520 0.613E-01 0.639E-01
DAV: 5 -0.456852793051E+04 -0.19192E-02 -0.43296E-02 3600 0.216E-01 0.476E-01
DAV: 6 -0.456852608803E+04 0.18425E-02 -0.20735E-02 3560 0.177E-01 0.164E-01
DAV: 7 -0.456852620126E+04 -0.11322E-03 -0.51826E-03 3608 0.725E-02 0.105E-01
DAV: 8 -0.456852610934E+04 0.91915E-04 -0.73515E-04 3528 0.336E-02 0.604E-02
DAV: 9 -0.456852612857E+04 -0.19228E-04 -0.60300E-04 3624 0.297E-02 0.260E-02
DAV: 10 -0.456852615395E+04 -0.25384E-04 -0.85922E-05 3504 0.116E-02 0.119E-02
DAV: 11 -0.456852617850E+04 -0.24547E-04 -0.20775E-05 2472 0.474E-03 0.536E-03
DAV: 12 -0.456852620025E+04 -0.21751E-04 -0.37039E-06 2240 0.262E-03 0.288E-03
DAV: 13 -0.456852622262E+04 -0.22369E-04 -0.36347E-06 2240 0.238E-03 0.240E-03
DAV: 14 -0.456852623503E+04 -0.12408E-04 -0.17278E-06 2208 0.146E-03 0.180E-03
DAV: 15 -0.456852624373E+04 -0.87018E-05 -0.14765E-06 2256 0.145E-03
52 F= -.45685262E+04 E0= -.45685761E+04 d E =-.750297E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.456850812781E+04 0.18107E-01 -0.19134E+01 3168 0.409E+00 0.923E-01
DAV: 2 -0.456854819208E+04 -0.40064E-01 -0.49044E-01 3528 0.604E-01 0.550E-01
DAV: 3 -0.456854689807E+04 0.12940E-02 -0.10444E-02 3672 0.107E-01 0.349E-01
DAV: 4 -0.456854728944E+04 -0.39137E-03 -0.79517E-03 3536 0.121E-01 0.126E-01
DAV: 5 -0.456854740798E+04 -0.11854E-03 -0.16770E-03 3616 0.430E-02 0.939E-02
DAV: 6 -0.456854734317E+04 0.64811E-04 -0.78468E-04 3560 0.347E-02 0.340E-02
DAV: 7 -0.456854734980E+04 -0.66287E-05 -0.22418E-04 3512 0.151E-02 0.219E-02
DAV: 8 -0.456854734666E+04 0.31361E-05 -0.27553E-05 2720 0.668E-03
53 F= -.45685473E+04 E0= -.45685972E+04 d E =-.771400E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.456838708494E+04 0.16026E+00 -0.43399E+02 3168 0.195E+01 0.447E+00
DAV: 2 -0.456932263464E+04 -0.93555E+00 -0.11379E+01 3560 0.290E+00 0.268E+00
DAV: 3 -0.456928958744E+04 0.33047E-01 -0.24378E-01 3736 0.520E-01 0.174E+00
DAV: 4 -0.456929206538E+04 -0.24779E-02 -0.20031E-01 3536 0.609E-01 0.634E-01
DAV: 5 -0.456929386286E+04 -0.17975E-02 -0.39695E-02 3672 0.208E-01 0.476E-01
DAV: 6 -0.456929190194E+04 0.19609E-02 -0.25397E-02 3552 0.194E-01 0.136E-01
DAV: 7 -0.456929204726E+04 -0.14532E-03 -0.41219E-03 3592 0.603E-02 0.974E-02
DAV: 8 -0.456929199550E+04 0.51759E-04 -0.65054E-04 3544 0.336E-02 0.450E-02
DAV: 9 -0.456929204004E+04 -0.44544E-04 -0.33427E-04 3584 0.205E-02 0.216E-02
DAV: 10 -0.456929207835E+04 -0.38310E-04 -0.43161E-05 3232 0.821E-03 0.108E-02
DAV: 11 -0.456929211334E+04 -0.34986E-04 -0.22184E-05 2664 0.557E-03 0.586E-03
DAV: 12 -0.456929214259E+04 -0.29254E-04 -0.41195E-06 2248 0.265E-03 0.353E-03
DAV: 13 -0.456929217510E+04 -0.32513E-04 -0.47625E-06 2304 0.287E-03 0.217E-03
DAV: 14 -0.456929218996E+04 -0.14854E-04 -0.29155E-06 2272 0.183E-03 0.204E-03
DAV: 15 -0.456929219880E+04 -0.88396E-05 -0.13835E-06 2232 0.137E-03
54 F= -.45692922E+04 E0= -.45693422E+04 d E =-.744852E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.456923971987E+04 0.52470E-01 -0.52745E+01 3160 0.678E+00 0.154E+00
DAV: 2 -0.456934897673E+04 -0.10926E+00 -0.13430E+00 3536 0.100E+00 0.922E-01
DAV: 3 -0.456934558218E+04 0.33946E-02 -0.29107E-02 3688 0.179E-01 0.592E-01
DAV: 4 -0.456934643607E+04 -0.85389E-03 -0.23077E-02 3544 0.208E-01 0.215E-01
DAV: 5 -0.456934674361E+04 -0.30754E-03 -0.46244E-03 3640 0.712E-02 0.161E-01
DAV: 6 -0.456934653090E+04 0.21271E-03 -0.29565E-03 3592 0.669E-02 0.466E-02
DAV: 7 -0.456934655129E+04 -0.20391E-04 -0.48544E-04 3560 0.205E-02 0.342E-02
DAV: 8 -0.456934654599E+04 0.53022E-05 -0.73686E-05 3464 0.115E-02
55 F= -.45693465E+04 E0= -.45693965E+04 d E =-.799199E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.456903489083E+04 0.31166E+00 -0.49908E+02 3168 0.209E+01 0.481E+00
DAV: 2 -0.457012143322E+04 -0.10865E+01 -0.13147E+01 3576 0.311E+00 0.285E+00
DAV: 3 -0.457007876643E+04 0.42667E-01 -0.27270E-01 3704 0.551E-01 0.182E+00
DAV: 4 -0.457008139801E+04 -0.26316E-02 -0.23249E-01 3608 0.658E-01 0.666E-01
DAV: 5 -0.457008292812E+04 -0.15301E-02 -0.47668E-02 3640 0.226E-01 0.518E-01
DAV: 6 -0.457008044291E+04 0.24852E-02 -0.29010E-02 3592 0.206E-01 0.149E-01
DAV: 7 -0.457008058045E+04 -0.13754E-03 -0.48210E-03 3632 0.647E-02 0.108E-01
DAV: 8 -0.457008045736E+04 0.12309E-03 -0.61667E-04 3576 0.349E-02 0.563E-02
DAV: 9 -0.457008045995E+04 -0.25873E-05 -0.46906E-04 3560 0.251E-02 0.210E-02
DAV: 10 -0.457008047772E+04 -0.17771E-04 -0.66572E-05 3496 0.870E-03 0.145E-02
DAV: 11 -0.457008049199E+04 -0.14269E-04 -0.16037E-05 2360 0.537E-03 0.583E-03
DAV: 12 -0.457008050934E+04 -0.17349E-04 -0.68861E-06 2224 0.328E-03 0.367E-03
DAV: 13 -0.457008052800E+04 -0.18662E-04 -0.29458E-06 2200 0.262E-03 0.271E-03
DAV: 14 -0.457008054268E+04 -0.14676E-04 -0.25984E-06 2264 0.222E-03 0.157E-03
DAV: 15 -0.457008055144E+04 -0.87672E-05 -0.16832E-06 2192 0.140E-03
56 F= -.45700806E+04 E0= -.45701310E+04 d E =-.734005E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.457004558940E+04 0.34953E-01 -0.33064E+01 3168 0.537E+00 0.122E+00
DAV: 2 -0.457011415944E+04 -0.68570E-01 -0.84266E-01 3544 0.791E-01 0.726E-01
DAV: 3 -0.457011177201E+04 0.23874E-02 -0.17546E-02 3680 0.140E-01 0.461E-01
DAV: 4 -0.457011242606E+04 -0.65405E-03 -0.14676E-02 3576 0.166E-01 0.167E-01
DAV: 5 -0.457011257334E+04 -0.14729E-03 -0.30385E-03 3664 0.574E-02 0.130E-01
DAV: 6 -0.457011242756E+04 0.14579E-03 -0.18588E-03 3528 0.525E-02 0.376E-02
DAV: 7 -0.457011243961E+04 -0.12055E-04 -0.31430E-04 3600 0.163E-02 0.285E-02
DAV: 8 -0.457011243205E+04 0.75659E-05 -0.37989E-05 3008 0.894E-03
57 F= -.45701124E+04 E0= -.45701629E+04 d E =-.765886E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.456963139312E+04 0.48105E+00 -0.54120E+02 3168 0.217E+01 0.500E+00
DAV: 2 -0.457080399069E+04 -0.11726E+01 -0.14191E+01 3544 0.322E+00 0.300E+00
DAV: 3 -0.457075667569E+04 0.47315E-01 -0.30606E-01 3696 0.588E-01 0.192E+00
DAV: 4 -0.457075937636E+04 -0.27007E-02 -0.24891E-01 3608 0.674E-01 0.711E-01
DAV: 5 -0.457076109650E+04 -0.17201E-02 -0.52561E-02 3520 0.240E-01 0.533E-01
DAV: 6 -0.457075855488E+04 0.25416E-02 -0.23912E-02 3576 0.193E-01 0.198E-01
DAV: 7 -0.457075863567E+04 -0.80790E-04 -0.74471E-03 3600 0.886E-02 0.119E-01
DAV: 8 -0.457075850643E+04 0.12924E-03 -0.93195E-04 3512 0.383E-02 0.693E-02
DAV: 9 -0.457075853082E+04 -0.24393E-04 -0.82575E-04 3608 0.349E-02 0.308E-02
DAV: 10 -0.457075856317E+04 -0.32345E-04 -0.11279E-04 3632 0.129E-02 0.160E-02
DAV: 11 -0.457075860102E+04 -0.37855E-04 -0.34389E-05 2872 0.635E-03 0.671E-03
DAV: 12 -0.457075863759E+04 -0.36569E-04 -0.49455E-06 2272 0.364E-03 0.389E-03
DAV: 13 -0.457075868692E+04 -0.49331E-04 -0.73585E-06 2288 0.390E-03 0.323E-03
DAV: 14 -0.457075871553E+04 -0.28603E-04 -0.42467E-06 2280 0.244E-03 0.257E-03
DAV: 15 -0.457075873356E+04 -0.18030E-04 -0.25917E-06 2248 0.192E-03 0.201E-03
DAV: 16 -0.457075874092E+04 -0.73630E-05 -0.90700E-07 2200 0.919E-04
58 F= -.45707587E+04 E0= -.45708088E+04 d E =-.646309E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.457075326744E+04 0.54661E-02 -0.54559E+00 3168 0.218E+00 0.494E-01
DAV: 2 -0.457076434179E+04 -0.11074E-01 -0.13746E-01 3528 0.319E-01 0.297E-01
DAV: 3 -0.457076397209E+04 0.36971E-03 -0.29778E-03 3640 0.579E-02 0.189E-01
DAV: 4 -0.457076415408E+04 -0.18199E-03 -0.23128E-03 3576 0.655E-02 0.691E-02
DAV: 5 -0.457076419598E+04 -0.41904E-04 -0.49481E-04 3528 0.237E-02 0.516E-02
DAV: 6 -0.457076417538E+04 0.20604E-04 -0.20123E-04 3480 0.178E-02 0.215E-02
DAV: 7 -0.457076417681E+04 -0.14320E-05 -0.82492E-05 3136 0.970E-03
59 F= -.45707642E+04 E0= -.45708142E+04 d E =-.651745E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.457043546064E+04 0.32871E+00 -0.45308E+02 3168 0.199E+01 0.456E+00
DAV: 2 -0.457141513927E+04 -0.97968E+00 -0.11854E+01 3544 0.294E+00 0.276E+00
DAV: 3 -0.457137515501E+04 0.39984E-01 -0.24562E-01 3712 0.536E-01 0.177E+00
DAV: 4 -0.457137877499E+04 -0.36200E-02 -0.21801E-01 3552 0.626E-01 0.653E-01
DAV: 5 -0.457137968476E+04 -0.90976E-03 -0.41984E-02 3592 0.219E-01 0.485E-01
DAV: 6 -0.457137774724E+04 0.19375E-02 -0.22917E-02 3520 0.187E-01 0.161E-01
DAV: 7 -0.457137784124E+04 -0.93995E-04 -0.53996E-03 3544 0.733E-02 0.110E-01
DAV: 8 -0.457137772183E+04 0.11941E-03 -0.76865E-04 3496 0.361E-02 0.617E-02
DAV: 9 -0.457137774774E+04 -0.25905E-04 -0.69854E-04 3616 0.317E-02 0.295E-02
DAV: 10 -0.457137777007E+04 -0.22336E-04 -0.97622E-05 3576 0.122E-02 0.152E-02
DAV: 11 -0.457137779264E+04 -0.22565E-04 -0.32551E-05 2808 0.639E-03 0.585E-03
DAV: 12 -0.457137781492E+04 -0.22281E-04 -0.44934E-06 2256 0.317E-03 0.324E-03
DAV: 13 -0.457137783767E+04 -0.22747E-04 -0.39528E-06 2280 0.275E-03 0.224E-03
DAV: 14 -0.457137785083E+04 -0.13164E-04 -0.23108E-06 2240 0.190E-03 0.165E-03
DAV: 15 -0.457137785756E+04 -0.67351E-05 -0.14205E-06 2240 0.150E-03
60 F= -.45713779E+04 E0= -.45714277E+04 d E =-.613681E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.457135156609E+04 0.26285E-01 -0.24203E+01 3168 0.460E+00 0.104E+00
DAV: 2 -0.457140128429E+04 -0.49718E-01 -0.61124E-01 3520 0.671E-01 0.629E-01
DAV: 3 -0.457139951746E+04 0.17668E-02 -0.12904E-02 3696 0.122E-01 0.401E-01
DAV: 4 -0.457140005740E+04 -0.53994E-03 -0.10755E-02 3480 0.140E-01 0.146E-01
DAV: 5 -0.457140017730E+04 -0.11990E-03 -0.21144E-03 3608 0.493E-02 0.108E-01
DAV: 6 -0.457140009103E+04 0.86263E-04 -0.10800E-03 3592 0.410E-02 0.383E-02
DAV: 7 -0.457140009612E+04 -0.50852E-05 -0.28752E-04 3536 0.174E-02 0.255E-02
DAV: 8 -0.457140009029E+04 0.58326E-05 -0.39182E-05 3208 0.819E-03
61 F= -.45714001E+04 E0= -.45714498E+04 d E =-.635913E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.457127008396E+04 0.13001E+00 -0.36160E+02 3160 0.177E+01 0.406E+00
DAV: 2 -0.457203547351E+04 -0.76539E+00 -0.92805E+00 3560 0.260E+00 0.241E+00
DAV: 3 -0.457200683748E+04 0.28636E-01 -0.19170E-01 3696 0.467E-01 0.154E+00
DAV: 4 -0.457201132865E+04 -0.44912E-02 -0.16276E-01 3536 0.548E-01 0.564E-01
DAV: 5 -0.457201230374E+04 -0.97509E-03 -0.32755E-02 3664 0.190E-01 0.418E-01
DAV: 6 -0.457201086467E+04 0.14391E-02 -0.19380E-02 3504 0.167E-01 0.120E-01
DAV: 7 -0.457201091920E+04 -0.54521E-04 -0.30381E-03 3568 0.495E-02 0.826E-02
DAV: 8 -0.457201085481E+04 0.64380E-04 -0.48097E-04 3568 0.287E-02 0.347E-02
DAV: 9 -0.457201087194E+04 -0.17129E-04 -0.24137E-04 3560 0.177E-02 0.199E-02
DAV: 10 -0.457201087788E+04 -0.59392E-05 -0.29640E-05 2696 0.723E-03
62 F= -.45720109E+04 E0= -.45720605E+04 d E =-.610788E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.457180140086E+04 0.20947E+00 -0.16114E+02 3160 0.118E+01 0.269E+00
DAV: 2 -0.457213593927E+04 -0.33454E+00 -0.40739E+00 3520 0.173E+00 0.160E+00
DAV: 3 -0.457212405439E+04 0.11885E-01 -0.84729E-02 3688 0.310E-01 0.102E+00
DAV: 4 -0.457212655119E+04 -0.24968E-02 -0.70748E-02 3512 0.363E-01 0.371E-01
DAV: 5 -0.457212702819E+04 -0.47699E-03 -0.14477E-02 3664 0.126E-01 0.276E-01
DAV: 6 -0.457212640902E+04 0.61916E-03 -0.85219E-03 3504 0.111E-01 0.796E-02
DAV: 7 -0.457212643696E+04 -0.27937E-04 -0.13309E-03 3576 0.327E-02 0.550E-02
DAV: 8 -0.457212641240E+04 0.24558E-04 -0.20761E-04 3568 0.190E-02 0.229E-02
DAV: 9 -0.457212642290E+04 -0.10504E-04 -0.10166E-04 3496 0.116E-02 0.129E-02
DAV: 10 -0.457212642793E+04 -0.50255E-05 -0.11842E-05 2256 0.471E-03
63 F= -.45721264E+04 E0= -.45721758E+04 d E =-.726338E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.457183354152E+04 0.29288E+00 -0.42799E+02 3160 0.193E+01 0.441E+00
DAV: 2 -0.457274483573E+04 -0.91129E+00 -0.11028E+01 3504 0.283E+00 0.264E+00
DAV: 3 -0.457271109557E+04 0.33740E-01 -0.22926E-01 3704 0.512E-01 0.169E+00
DAV: 4 -0.457271580963E+04 -0.47141E-02 -0.19442E-01 3584 0.597E-01 0.623E-01
DAV: 5 -0.457271684150E+04 -0.10319E-02 -0.39010E-02 3624 0.211E-01 0.457E-01
DAV: 6 -0.457271514521E+04 0.16963E-02 -0.20271E-02 3528 0.175E-01 0.151E-01
DAV: 7 -0.457271521424E+04 -0.69030E-04 -0.43163E-03 3560 0.660E-02 0.979E-02
DAV: 8 -0.457271511193E+04 0.10232E-03 -0.60822E-04 3536 0.311E-02 0.540E-02
DAV: 9 -0.457271512029E+04 -0.83624E-05 -0.47937E-04 3592 0.264E-02 0.237E-02
DAV: 10 -0.457271513336E+04 -0.13067E-04 -0.74460E-05 3432 0.101E-02 0.140E-02
DAV: 11 -0.457271514419E+04 -0.10839E-04 -0.25896E-05 2624 0.595E-03 0.542E-03
DAV: 12 -0.457271515609E+04 -0.11891E-04 -0.38183E-06 2184 0.303E-03 0.299E-03
DAV: 13 -0.457271516936E+04 -0.13276E-04 -0.29655E-06 2224 0.261E-03 0.208E-03
DAV: 14 -0.457271517898E+04 -0.96137E-05 -0.17305E-06 2184 0.196E-03
64 F= -.45727152E+04 E0= -.45727649E+04 d E =-.588751E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.457261187374E+04 0.10330E+00 -0.81781E+01 3160 0.844E+00 0.191E+00
DAV: 2 -0.457277962142E+04 -0.16775E+00 -0.20507E+00 3512 0.123E+00 0.114E+00
DAV: 3 -0.457277399823E+04 0.56232E-02 -0.42676E-02 3672 0.220E-01 0.728E-01
DAV: 4 -0.457277561249E+04 -0.16143E-02 -0.35374E-02 3568 0.255E-01 0.265E-01
DAV: 5 -0.457277587630E+04 -0.26381E-03 -0.71927E-03 3616 0.909E-02 0.195E-01
DAV: 6 -0.457277558236E+04 0.29394E-03 -0.37025E-03 3552 0.750E-02 0.649E-02
DAV: 7 -0.457277559845E+04 -0.16089E-04 -0.79422E-04 3472 0.282E-02 0.426E-02
DAV: 8 -0.457277558029E+04 0.18162E-04 -0.10949E-04 3536 0.133E-02 0.233E-02
DAV: 9 -0.457277558382E+04 -0.35295E-05 -0.89536E-05 3304 0.114E-02
65 F= -.45727756E+04 E0= -.45728255E+04 d E =-.649156E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.457238753422E+04 0.38805E+00 -0.47818E+02 3168 0.204E+01 0.467E+00
DAV: 2 -0.457340200757E+04 -0.10145E+01 -0.12339E+01 3528 0.300E+00 0.278E+00
DAV: 3 -0.457336463569E+04 0.37372E-01 -0.25399E-01 3712 0.544E-01 0.179E+00
DAV: 4 -0.457336951385E+04 -0.48782E-02 -0.22278E-01 3560 0.638E-01 0.657E-01
DAV: 5 -0.457337021151E+04 -0.69766E-03 -0.44143E-02 3656 0.228E-01 0.486E-01
DAV: 6 -0.457336826549E+04 0.19460E-02 -0.24725E-02 3536 0.191E-01 0.149E-01
DAV: 7 -0.457336835917E+04 -0.93684E-04 -0.44632E-03 3544 0.647E-02 0.101E-01
DAV: 8 -0.457336823345E+04 0.12572E-03 -0.66804E-04 3544 0.341E-02 0.504E-02
DAV: 9 -0.457336824559E+04 -0.12139E-04 -0.45959E-04 3592 0.252E-02 0.250E-02
DAV: 10 -0.457336825147E+04 -0.58867E-05 -0.69897E-05 3344 0.112E-02
66 F= -.45733683E+04 E0= -.45734184E+04 d E =-.592668E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.457326645231E+04 0.10179E+00 -0.77302E+01 3168 0.821E+00 0.185E+00
DAV: 2 -0.457342390119E+04 -0.15745E+00 -0.19347E+00 3520 0.119E+00 0.111E+00
DAV: 3 -0.457341865097E+04 0.52502E-02 -0.40048E-02 3712 0.216E-01 0.709E-01
DAV: 4 -0.457342009471E+04 -0.14437E-02 -0.34235E-02 3552 0.251E-01 0.257E-01
DAV: 5 -0.457342029802E+04 -0.20331E-03 -0.68992E-03 3648 0.903E-02 0.190E-01
DAV: 6 -0.457342001326E+04 0.28476E-03 -0.37040E-03 3528 0.745E-02 0.607E-02
DAV: 7 -0.457342002970E+04 -0.16443E-04 -0.71833E-04 3552 0.264E-02 0.410E-02
DAV: 8 -0.457342001203E+04 0.17670E-04 -0.10455E-04 3536 0.135E-02 0.205E-02
DAV: 9 -0.457342001763E+04 -0.55987E-05 -0.78809E-05 3288 0.106E-02
67 F= -.45734200E+04 E0= -.45734703E+04 d E =-.644434E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.457295834985E+04 0.46166E+00 -0.47775E+02 3168 0.204E+01 0.462E+00
DAV: 2 -0.457397395849E+04 -0.10156E+01 -0.12245E+01 3520 0.298E+00 0.277E+00
DAV: 3 -0.457393540904E+04 0.38549E-01 -0.24385E-01 3728 0.538E-01 0.178E+00
DAV: 4 -0.457393965941E+04 -0.42504E-02 -0.21380E-01 3592 0.628E-01 0.642E-01
DAV: 5 -0.457394073145E+04 -0.10720E-02 -0.42733E-02 3640 0.220E-01 0.474E-01
DAV: 6 -0.457393886681E+04 0.18646E-02 -0.25334E-02 3536 0.193E-01 0.141E-01
DAV: 7 -0.457393893589E+04 -0.69082E-04 -0.39726E-03 3528 0.611E-02 0.995E-02
DAV: 8 -0.457393881809E+04 0.11779E-03 -0.65645E-04 3560 0.356E-02 0.446E-02
DAV: 9 -0.457393884025E+04 -0.22155E-04 -0.37384E-04 3608 0.218E-02 0.235E-02
DAV: 10 -0.457393884901E+04 -0.87572E-05 -0.48227E-05 3200 0.884E-03
68 F= -.45739388E+04 E0= -.45739893E+04 d E =-.518831E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.457389233003E+04 0.46510E-01 -0.35667E+01 3168 0.558E+00 0.125E+00
DAV: 2 -0.457396502569E+04 -0.72696E-01 -0.88899E-01 3512 0.806E-01 0.750E-01
DAV: 3 -0.457396261552E+04 0.24102E-02 -0.17594E-02 3704 0.145E-01 0.479E-01
DAV: 4 -0.457396335555E+04 -0.74003E-03 -0.15516E-02 3568 0.170E-01 0.172E-01
DAV: 5 -0.457396347374E+04 -0.11819E-03 -0.31359E-03 3672 0.598E-02 0.128E-01
DAV: 6 -0.457396334447E+04 0.12927E-03 -0.18202E-03 3536 0.519E-02 0.384E-02
DAV: 7 -0.457396335563E+04 -0.11153E-04 -0.29816E-04 3528 0.167E-02 0.278E-02
DAV: 8 -0.457396335020E+04 0.54293E-05 -0.45518E-05 3192 0.964E-03
69 F= -.45739634E+04 E0= -.45740138E+04 d E =-.543333E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.457363255957E+04 0.33080E+00 -0.43488E+02 3160 0.195E+01 0.438E+00
DAV: 2 -0.457454741455E+04 -0.91485E+00 -0.10989E+01 3504 0.282E+00 0.260E+00
DAV: 3 -0.457451557426E+04 0.31840E-01 -0.21682E-01 3712 0.507E-01 0.167E+00
DAV: 4 -0.457452084662E+04 -0.52724E-02 -0.18750E-01 3600 0.593E-01 0.608E-01
DAV: 5 -0.457452173105E+04 -0.88443E-03 -0.39627E-02 3560 0.212E-01 0.459E-01
DAV: 6 -0.457451991896E+04 0.18121E-02 -0.18349E-02 3568 0.168E-01 0.164E-01
DAV: 7 -0.457451995512E+04 -0.36152E-04 -0.49942E-03 3552 0.728E-02 0.970E-02
DAV: 8 -0.457451986096E+04 0.94161E-04 -0.65555E-04 3528 0.319E-02 0.546E-02
DAV: 9 -0.457451987425E+04 -0.13290E-04 -0.48148E-04 3632 0.268E-02 0.224E-02
DAV: 10 -0.457451989525E+04 -0.21009E-04 -0.69664E-05 3344 0.994E-03 0.117E-02
DAV: 11 -0.457451991672E+04 -0.21462E-04 -0.19308E-05 2472 0.496E-03 0.541E-03
DAV: 12 -0.457451993868E+04 -0.21962E-04 -0.33102E-06 2248 0.305E-03 0.312E-03
DAV: 13 -0.457451996445E+04 -0.25768E-04 -0.45433E-06 2240 0.320E-03 0.235E-03
DAV: 14 -0.457451998187E+04 -0.17422E-04 -0.25987E-06 2256 0.207E-03 0.192E-03
DAV: 15 -0.457451999166E+04 -0.97949E-05 -0.15089E-06 2208 0.148E-03
70 F= -.45745200E+04 E0= -.45745706E+04 d E =-.556641E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.457419792875E+04 0.32205E+00 -0.21914E+02 3168 0.138E+01 0.308E+00
DAV: 2 -0.457465022195E+04 -0.45229E+00 -0.54584E+00 3520 0.199E+00 0.184E+00
DAV: 3 -0.457463495014E+04 0.15272E-01 -0.10585E-01 3704 0.356E-01 0.118E+00
DAV: 4 -0.457463837006E+04 -0.34199E-02 -0.93559E-02 3600 0.419E-01 0.426E-01
DAV: 5 -0.457463886858E+04 -0.49852E-03 -0.19734E-02 3528 0.149E-01 0.325E-01
DAV: 6 -0.457463796224E+04 0.90634E-03 -0.92045E-03 3568 0.118E-01 0.116E-01
DAV: 7 -0.457463798664E+04 -0.24400E-04 -0.25763E-03 3560 0.514E-02 0.696E-02
DAV: 8 -0.457463793817E+04 0.48468E-04 -0.32465E-04 3512 0.224E-02 0.389E-02
DAV: 9 -0.457463794617E+04 -0.79966E-05 -0.24969E-04 3608 0.193E-02 0.158E-02
DAV: 10 -0.457463795765E+04 -0.11488E-04 -0.32937E-05 2608 0.707E-03 0.830E-03
DAV: 11 -0.457463796962E+04 -0.11966E-04 -0.12578E-05 2280 0.390E-03 0.399E-03
DAV: 12 -0.457463798072E+04 -0.11099E-04 -0.21165E-06 2168 0.229E-03 0.228E-03
DAV: 13 -0.457463799382E+04 -0.13097E-04 -0.27157E-06 2240 0.241E-03 0.191E-03
DAV: 14 -0.457463800196E+04 -0.81453E-05 -0.12585E-06 2200 0.141E-03
71 F= -.45746380E+04 E0= -.45746887E+04 d E =-.674652E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.457432111932E+04 0.31687E+00 -0.42562E+02 3160 0.193E+01 0.434E+00
DAV: 2 -0.457521821961E+04 -0.89710E+00 -0.10790E+01 3512 0.280E+00 0.258E+00
DAV: 3 -0.457518745148E+04 0.30768E-01 -0.20858E-01 3704 0.499E-01 0.166E+00
DAV: 4 -0.457519317173E+04 -0.57203E-02 -0.18929E-01 3544 0.591E-01 0.608E-01
DAV: 5 -0.457519378378E+04 -0.61205E-03 -0.37851E-02 3632 0.208E-01 0.454E-01
DAV: 6 -0.457519206148E+04 0.17223E-02 -0.20819E-02 3520 0.176E-01 0.144E-01
DAV: 7 -0.457519213088E+04 -0.69393E-04 -0.41958E-03 3520 0.636E-02 0.966E-02
DAV: 8 -0.457519201627E+04 0.11461E-03 -0.57957E-04 3560 0.318E-02 0.492E-02
DAV: 9 -0.457519202618E+04 -0.99125E-05 -0.43172E-04 3640 0.245E-02 0.225E-02
DAV: 10 -0.457519203232E+04 -0.61344E-05 -0.60959E-05 3184 0.100E-02
72 F= -.45751920E+04 E0= -.45752427E+04 d E =-.554030E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.457477872962E+04 0.41330E+00 -0.27001E+02 3160 0.153E+01 0.344E+00
DAV: 2 -0.457534127947E+04 -0.56255E+00 -0.67845E+00 3520 0.222E+00 0.205E+00
DAV: 3 -0.457532234646E+04 0.18933E-01 -0.13164E-01 3720 0.397E-01 0.132E+00
DAV: 4 -0.457532649932E+04 -0.41529E-02 -0.11894E-01 3552 0.467E-01 0.482E-01
DAV: 5 -0.457532693919E+04 -0.43987E-03 -0.23527E-02 3640 0.164E-01 0.358E-01
DAV: 6 -0.457532589499E+04 0.10442E-02 -0.12868E-02 3528 0.139E-01 0.116E-01
DAV: 7 -0.457532593103E+04 -0.36040E-04 -0.26364E-03 3552 0.510E-02 0.774E-02
DAV: 8 -0.457532586085E+04 0.70184E-04 -0.36706E-04 3528 0.253E-02 0.395E-02
DAV: 9 -0.457532587135E+04 -0.10497E-04 -0.28367E-04 3624 0.199E-02 0.188E-02
DAV: 10 -0.457532587698E+04 -0.56312E-05 -0.38857E-05 2808 0.821E-03
73 F= -.45753259E+04 E0= -.45753766E+04 d E =-.687875E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.457473340918E+04 0.59246E+00 -0.55873E+02 3160 0.221E+01 0.502E+00
DAV: 2 -0.457592283542E+04 -0.11894E+01 -0.14333E+01 3496 0.322E+00 0.297E+00
DAV: 3 -0.457588329541E+04 0.39540E-01 -0.28768E-01 3696 0.581E-01 0.192E+00
DAV: 4 -0.457589047397E+04 -0.71786E-02 -0.25324E-01 3576 0.684E-01 0.707E-01
DAV: 5 -0.457589114653E+04 -0.67256E-03 -0.49702E-02 3736 0.241E-01 0.514E-01
DAV: 6 -0.457588896874E+04 0.21778E-02 -0.29466E-02 3584 0.204E-01 0.141E-01
DAV: 7 -0.457588901541E+04 -0.46666E-04 -0.41543E-03 3568 0.604E-02 0.886E-02
DAV: 8 -0.457588897011E+04 0.45294E-04 -0.70374E-04 3560 0.339E-02 0.331E-02
DAV: 9 -0.457588899233E+04 -0.22217E-04 -0.19957E-04 3536 0.151E-02 0.197E-02
DAV: 10 -0.457588900214E+04 -0.98141E-05 -0.31946E-05 2752 0.831E-03
74 F= -.45758890E+04 E0= -.45759397E+04 d E =-.563125E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.457561158788E+04 0.27740E+00 -0.17884E+02 3160 0.125E+01 0.281E+00
DAV: 2 -0.457597988038E+04 -0.36829E+00 -0.44743E+00 3480 0.181E+00 0.167E+00
DAV: 3 -0.457596875757E+04 0.11123E-01 -0.89812E-02 3680 0.324E-01 0.107E+00
DAV: 4 -0.457597199536E+04 -0.32378E-02 -0.77767E-02 3552 0.380E-01 0.390E-01
DAV: 5 -0.457597231456E+04 -0.31920E-03 -0.15536E-02 3792 0.134E-01 0.284E-01
DAV: 6 -0.457597165886E+04 0.65570E-03 -0.88992E-03 3560 0.113E-01 0.794E-02
DAV: 7 -0.457597168119E+04 -0.22326E-04 -0.12972E-03 3624 0.337E-02 0.502E-02
DAV: 8 -0.457597167179E+04 0.93982E-05 -0.21326E-04 3560 0.189E-02 0.194E-02
DAV: 9 -0.457597168338E+04 -0.11589E-04 -0.66366E-05 3392 0.888E-03 0.112E-02
DAV: 10 -0.457597169026E+04 -0.68792E-05 -0.92320E-06 2232 0.467E-03
75 F= -.45759717E+04 E0= -.45760223E+04 d E =-.645813E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.457517602753E+04 0.79566E+00 -0.64384E+02 3160 0.237E+01 0.540E+00
DAV: 2 -0.457655819139E+04 -0.13822E+01 -0.16652E+01 3488 0.346E+00 0.319E+00
DAV: 3 -0.457651252079E+04 0.45671E-01 -0.34117E-01 3688 0.623E-01 0.205E+00
DAV: 4 -0.457651992138E+04 -0.74006E-02 -0.28513E-01 3576 0.720E-01 0.758E-01
DAV: 5 -0.457652071762E+04 -0.79624E-03 -0.55465E-02 3664 0.256E-01 0.545E-01
DAV: 6 -0.457651834955E+04 0.23681E-02 -0.30555E-02 3544 0.213E-01 0.168E-01
DAV: 7 -0.457651845549E+04 -0.10594E-03 -0.55559E-03 3480 0.729E-02 0.112E-01
DAV: 8 -0.457651831636E+04 0.13912E-03 -0.80750E-04 3528 0.366E-02 0.584E-02
DAV: 9 -0.457651833135E+04 -0.14983E-04 -0.53384E-04 3640 0.275E-02 0.258E-02
DAV: 10 -0.457651834919E+04 -0.17844E-04 -0.84333E-05 3520 0.111E-02 0.136E-02
DAV: 11 -0.457651836578E+04 -0.16587E-04 -0.25900E-05 2624 0.590E-03 0.640E-03
DAV: 12 -0.457651838359E+04 -0.17813E-04 -0.41512E-06 2224 0.322E-03 0.334E-03
DAV: 13 -0.457651840347E+04 -0.19877E-04 -0.37053E-06 2208 0.291E-03 0.245E-03
DAV: 14 -0.457651841861E+04 -0.15140E-04 -0.20957E-06 2248 0.215E-03 0.169E-03
DAV: 15 -0.457651843047E+04 -0.11866E-04 -0.16783E-06 2224 0.193E-03 0.153E-03
DAV: 16 -0.457651843514E+04 -0.46685E-05 -0.89899E-07 2184 0.107E-03
76 F= -.45765184E+04 E0= -.45765690E+04 d E =-.546745E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.457639836732E+04 0.12006E+00 -0.79276E+01 3160 0.831E+00 0.187E+00
DAV: 2 -0.457656011022E+04 -0.16174E+00 -0.19778E+00 3488 0.120E+00 0.110E+00
DAV: 3 -0.457655571084E+04 0.43994E-02 -0.40312E-02 3664 0.215E-01 0.703E-01
DAV: 4 -0.457655740465E+04 -0.16938E-02 -0.33042E-02 3576 0.247E-01 0.256E-01
DAV: 5 -0.457655758421E+04 -0.17956E-03 -0.65465E-03 3712 0.882E-02 0.184E-01
DAV: 6 -0.457655732418E+04 0.26002E-03 -0.34599E-03 3536 0.721E-02 0.586E-02
DAV: 7 -0.457655733761E+04 -0.13424E-04 -0.66471E-04 3520 0.251E-02 0.394E-02
DAV: 8 -0.457655732096E+04 0.16645E-04 -0.93992E-05 3536 0.125E-02 0.204E-02
DAV: 9 -0.457655732418E+04 -0.32218E-05 -0.66903E-05 3192 0.985E-03
77 F= -.45765573E+04 E0= -.45766079E+04 d E =-.585634E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.457594278258E+04 0.61454E+00 -0.53736E+02 3160 0.217E+01 0.490E+00
DAV: 2 -0.457708792281E+04 -0.11451E+01 -0.13799E+01 3528 0.317E+00 0.290E+00
DAV: 3 -0.457705103363E+04 0.36889E-01 -0.27991E-01 3728 0.566E-01 0.187E+00
DAV: 4 -0.457705675942E+04 -0.57258E-02 -0.22786E-01 3544 0.639E-01 0.680E-01
DAV: 5 -0.457705766316E+04 -0.90375E-03 -0.43577E-02 3680 0.229E-01 0.477E-01
DAV: 6 -0.457705593586E+04 0.17273E-02 -0.23822E-02 3576 0.191E-01 0.153E-01
DAV: 7 -0.457705599016E+04 -0.54301E-04 -0.45325E-03 3520 0.660E-02 0.103E-01
DAV: 8 -0.457705586401E+04 0.12614E-03 -0.69106E-04 3544 0.348E-02 0.489E-02
DAV: 9 -0.457705588720E+04 -0.23188E-04 -0.43871E-04 3664 0.240E-02 0.254E-02
DAV: 10 -0.457705589605E+04 -0.88446E-05 -0.60693E-05 3248 0.102E-02
78 F= -.45770559E+04 E0= -.45771068E+04 d E =-.498572E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.457695512870E+04 0.10076E+00 -0.68591E+01 3160 0.774E+00 0.173E+00
DAV: 2 -0.457709504593E+04 -0.13992E+00 -0.17093E+00 3512 0.112E+00 0.103E+00
DAV: 3 -0.457709128543E+04 0.37605E-02 -0.34510E-02 3688 0.200E-01 0.657E-01
DAV: 4 -0.457709262832E+04 -0.13429E-02 -0.28016E-02 3496 0.224E-01 0.236E-01
DAV: 5 -0.457709280096E+04 -0.17263E-03 -0.54030E-03 3704 0.811E-02 0.166E-01
DAV: 6 -0.457709260421E+04 0.19675E-03 -0.28720E-03 3568 0.665E-02 0.552E-02
DAV: 7 -0.457709261453E+04 -0.10327E-04 -0.56680E-04 3512 0.236E-02 0.373E-02
DAV: 8 -0.457709260298E+04 0.11558E-04 -0.84523E-05 3512 0.123E-02 0.177E-02
DAV: 9 -0.457709261141E+04 -0.84350E-05 -0.58480E-05 3048 0.894E-03
79 F= -.45770926E+04 E0= -.45771436E+04 d E =-.535287E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.457633135393E+04 0.76125E+00 -0.59778E+02 3160 0.229E+01 0.512E+00
DAV: 2 -0.457761534415E+04 -0.12840E+01 -0.15337E+01 3552 0.332E+00 0.305E+00
DAV: 3 -0.457757229999E+04 0.43044E-01 -0.29930E-01 3752 0.601E-01 0.197E+00
DAV: 4 -0.457757772314E+04 -0.54232E-02 -0.25136E-01 3552 0.667E-01 0.706E-01
DAV: 5 -0.457757888213E+04 -0.11590E-02 -0.47500E-02 3656 0.238E-01 0.489E-01
DAV: 6 -0.457757717241E+04 0.17097E-02 -0.25791E-02 3560 0.198E-01 0.162E-01
DAV: 7 -0.457757719126E+04 -0.18850E-04 -0.50005E-03 3520 0.689E-02 0.110E-01
DAV: 8 -0.457757703517E+04 0.15609E-03 -0.82313E-04 3536 0.390E-02 0.504E-02
DAV: 9 -0.457757706274E+04 -0.27564E-04 -0.52932E-04 3664 0.262E-02 0.300E-02
DAV: 10 -0.457757706647E+04 -0.37355E-05 -0.75641E-05 3408 0.114E-02
80 F= -.45775771E+04 E0= -.45776283E+04 d E =-.484455E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.457752238306E+04 0.54680E-01 -0.36926E+01 3160 0.568E+00 0.126E+00
DAV: 2 -0.457759781900E+04 -0.75436E-01 -0.91650E-01 3528 0.818E-01 0.750E-01
DAV: 3 -0.457759581867E+04 0.20003E-02 -0.17870E-02 3704 0.147E-01 0.481E-01
DAV: 4 -0.457759661104E+04 -0.79237E-03 -0.14947E-02 3528 0.164E-01 0.171E-01
DAV: 5 -0.457759672040E+04 -0.10936E-03 -0.28803E-03 3672 0.588E-02 0.119E-01
DAV: 6 -0.457759662388E+04 0.96522E-04 -0.15113E-03 3576 0.480E-02 0.405E-02
DAV: 7 -0.457759662823E+04 -0.43543E-05 -0.29665E-04 3496 0.170E-02 0.275E-02
DAV: 8 -0.457759662176E+04 0.64742E-05 -0.46871E-05 3392 0.945E-03
81 F= -.45775966E+04 E0= -.45776479E+04 d E =-.504010E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.457674553652E+04 0.85109E+00 -0.63944E+02 3160 0.237E+01 0.527E+00
DAV: 2 -0.457813519246E+04 -0.13897E+01 -0.16449E+01 3512 0.343E+00 0.312E+00
DAV: 3 -0.457809037078E+04 0.44822E-01 -0.31251E-01 3752 0.613E-01 0.201E+00
DAV: 4 -0.457809609128E+04 -0.57205E-02 -0.25924E-01 3568 0.683E-01 0.711E-01
DAV: 5 -0.457809720178E+04 -0.11105E-02 -0.51133E-02 3664 0.243E-01 0.500E-01
DAV: 6 -0.457809530292E+04 0.18989E-02 -0.27075E-02 3528 0.200E-01 0.159E-01
DAV: 7 -0.457809534885E+04 -0.45933E-04 -0.49658E-03 3528 0.667E-02 0.108E-01
DAV: 8 -0.457809521328E+04 0.13557E-03 -0.80633E-04 3544 0.374E-02 0.490E-02
DAV: 9 -0.457809524204E+04 -0.28755E-04 -0.44098E-04 3624 0.241E-02 0.277E-02
DAV: 10 -0.457809525367E+04 -0.11635E-04 -0.67309E-05 3432 0.102E-02 0.155E-02
DAV: 11 -0.457809526811E+04 -0.14435E-04 -0.39441E-05 2872 0.732E-03 0.696E-03
DAV: 12 -0.457809528316E+04 -0.15056E-04 -0.51093E-06 2192 0.337E-03 0.428E-03
DAV: 13 -0.457809530067E+04 -0.17508E-04 -0.53711E-06 2232 0.328E-03 0.242E-03
DAV: 14 -0.457809531237E+04 -0.11699E-04 -0.21370E-06 2208 0.208E-03 0.170E-03
DAV: 15 -0.457809532072E+04 -0.83516E-05 -0.13395E-06 2200 0.152E-03
82 F= -.45780953E+04 E0= -.45781468E+04 d E =-.498699E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.457800154118E+04 0.93771E-01 -0.60470E+01 3160 0.727E+00 0.160E+00
DAV: 2 -0.457812607595E+04 -0.12453E+00 -0.14971E+00 3464 0.104E+00 0.947E-01
DAV: 3 -0.457812286434E+04 0.32116E-02 -0.28317E-02 3712 0.185E-01 0.604E-01
DAV: 4 -0.457812405724E+04 -0.11929E-02 -0.23257E-02 3568 0.206E-01 0.212E-01
DAV: 5 -0.457812419704E+04 -0.13981E-03 -0.46689E-03 3672 0.740E-02 0.149E-01
DAV: 6 -0.457812403487E+04 0.16217E-03 -0.23990E-03 3536 0.594E-02 0.488E-02
DAV: 7 -0.457812403955E+04 -0.46825E-05 -0.43874E-04 3496 0.199E-02 0.329E-02
DAV: 8 -0.457812402762E+04 0.11933E-04 -0.70449E-05 3496 0.111E-02 0.151E-02
DAV: 9 -0.457812403115E+04 -0.35264E-05 -0.41042E-05 2848 0.756E-03
83 F= -.45781240E+04 E0= -.45781756E+04 d E =-.527409E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.457740650043E+04 0.71753E+00 -0.58196E+02 3160 0.226E+01 0.505E+00
DAV: 2 -0.457866924207E+04 -0.12627E+01 -0.14976E+01 3528 0.327E+00 0.296E+00
DAV: 3 -0.457863015900E+04 0.39083E-01 -0.27962E-01 3720 0.578E-01 0.190E+00
DAV: 4 -0.457863731427E+04 -0.71553E-02 -0.23539E-01 3560 0.645E-01 0.677E-01
DAV: 5 -0.457863776248E+04 -0.44820E-03 -0.45452E-02 3736 0.234E-01 0.468E-01
DAV: 6 -0.457863620915E+04 0.15533E-02 -0.24564E-02 3512 0.187E-01 0.145E-01
DAV: 7 -0.457863623344E+04 -0.24294E-04 -0.39692E-03 3544 0.598E-02 0.961E-02
DAV: 8 -0.457863614108E+04 0.92360E-04 -0.75615E-04 3560 0.349E-02 0.407E-02
DAV: 9 -0.457863616921E+04 -0.28128E-04 -0.32540E-04 3616 0.204E-02 0.256E-02
DAV: 10 -0.457863617667E+04 -0.74668E-05 -0.51467E-05 3112 0.960E-03
84 F= -.45786362E+04 E0= -.45786875E+04 d E =-.512146E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.457837257725E+04 0.26359E+00 -0.16243E+02 3160 0.119E+01 0.264E+00
DAV: 2 -0.457871098626E+04 -0.33841E+00 -0.40503E+00 3512 0.171E+00 0.155E+00
DAV: 3 -0.457870176900E+04 0.92173E-02 -0.75490E-02 3712 0.300E-01 0.984E-01
DAV: 4 -0.457870474390E+04 -0.29749E-02 -0.62271E-02 3536 0.333E-01 0.345E-01
DAV: 5 -0.457870493640E+04 -0.19250E-03 -0.12287E-02 3744 0.122E-01 0.239E-01
DAV: 6 -0.457870454308E+04 0.39333E-03 -0.64985E-03 3520 0.965E-02 0.755E-02
DAV: 7 -0.457870455331E+04 -0.10232E-04 -0.10382E-03 3576 0.308E-02 0.507E-02
DAV: 8 -0.457870453213E+04 0.21178E-04 -0.19267E-04 3552 0.182E-02 0.211E-02
DAV: 9 -0.457870454551E+04 -0.13386E-04 -0.89054E-05 3448 0.106E-02 0.135E-02
DAV: 10 -0.457870455064E+04 -0.51288E-05 -0.12619E-05 2248 0.502E-03
85 F= -.45787046E+04 E0= -.45787557E+04 d E =-.580519E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.457782456929E+04 0.87998E+00 -0.65059E+02 3160 0.238E+01 0.536E+00
DAV: 2 -0.457924147304E+04 -0.14169E+01 -0.16890E+01 3520 0.346E+00 0.318E+00
DAV: 3 -0.457919571127E+04 0.45762E-01 -0.32544E-01 3752 0.626E-01 0.205E+00
DAV: 4 -0.457920258295E+04 -0.68717E-02 -0.27178E-01 3536 0.686E-01 0.729E-01
DAV: 5 -0.457920322871E+04 -0.64576E-03 -0.50763E-02 3808 0.250E-01 0.484E-01
DAV: 6 -0.457920173103E+04 0.14977E-02 -0.25664E-02 3480 0.190E-01 0.156E-01
DAV: 7 -0.457920171285E+04 0.18188E-04 -0.40428E-03 3536 0.630E-02 0.996E-02
DAV: 8 -0.457920161406E+04 0.98785E-04 -0.82342E-04 3544 0.368E-02 0.449E-02
DAV: 9 -0.457920164163E+04 -0.27570E-04 -0.37622E-04 3640 0.224E-02 0.296E-02
DAV: 10 -0.457920164671E+04 -0.50815E-05 -0.69035E-05 3392 0.111E-02
86 F= -.45792016E+04 E0= -.45792524E+04 d E =-.497096E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.457906289463E+04 0.13875E+00 -0.87129E+01 3160 0.870E+00 0.194E+00
DAV: 2 -0.457924233498E+04 -0.17944E+00 -0.21676E+00 3536 0.125E+00 0.115E+00
DAV: 3 -0.457923744194E+04 0.48930E-02 -0.41233E-02 3696 0.224E-01 0.733E-01
DAV: 4 -0.457923918500E+04 -0.17431E-02 -0.34107E-02 3536 0.244E-01 0.255E-01
DAV: 5 -0.457923932585E+04 -0.14085E-03 -0.64724E-03 3776 0.900E-02 0.169E-01
DAV: 6 -0.457923915740E+04 0.16844E-03 -0.32142E-03 3544 0.674E-02 0.558E-02
DAV: 7 -0.457923915935E+04 -0.19478E-05 -0.49669E-04 3552 0.221E-02 0.363E-02
DAV: 8 -0.457923915080E+04 0.85573E-05 -0.10270E-04 3528 0.134E-02 0.160E-02
DAV: 9 -0.457923915878E+04 -0.79812E-05 -0.47037E-05 3032 0.803E-03
87 F= -.45792392E+04 E0= -.45792896E+04 d E =-.534608E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.457830585805E+04 0.93329E+00 -0.66819E+02 3152 0.241E+01 0.544E+00
DAV: 2 -0.457976148051E+04 -0.14556E+01 -0.17352E+01 3512 0.351E+00 0.321E+00
DAV: 3 -0.457971431618E+04 0.47164E-01 -0.34179E-01 3744 0.639E-01 0.207E+00
DAV: 4 -0.457972096226E+04 -0.66461E-02 -0.27838E-01 3560 0.695E-01 0.742E-01
DAV: 5 -0.457972175176E+04 -0.78950E-03 -0.53472E-02 3688 0.254E-01 0.492E-01
DAV: 6 -0.457972023220E+04 0.15196E-02 -0.25657E-02 3536 0.193E-01 0.166E-01
DAV: 7 -0.457972019692E+04 0.35286E-04 -0.48051E-03 3576 0.657E-02 0.104E-01
DAV: 8 -0.457972008592E+04 0.11100E-03 -0.82737E-04 3536 0.368E-02 0.477E-02
DAV: 9 -0.457972011141E+04 -0.25495E-04 -0.41030E-04 3648 0.237E-02 0.294E-02
DAV: 10 -0.457972011900E+04 -0.75846E-05 -0.73712E-05 3416 0.110E-02
88 F= -.45797201E+04 E0= -.45797714E+04 d E =-.480960E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.457961798656E+04 0.10212E+00 -0.64292E+01 3152 0.748E+00 0.166E+00
DAV: 2 -0.457974985804E+04 -0.13187E+00 -0.15972E+00 3512 0.107E+00 0.983E-01
DAV: 3 -0.457974635476E+04 0.35033E-02 -0.30826E-02 3720 0.193E-01 0.628E-01
DAV: 4 -0.457974774992E+04 -0.13952E-02 -0.25075E-02 3512 0.210E-01 0.220E-01
DAV: 5 -0.457974786565E+04 -0.11573E-03 -0.48402E-03 3688 0.775E-02 0.147E-01
DAV: 6 -0.457974774116E+04 0.12449E-03 -0.22863E-03 3576 0.579E-02 0.515E-02
DAV: 7 -0.457974774248E+04 -0.13136E-05 -0.43491E-04 3512 0.202E-02 0.324E-02
DAV: 8 -0.457974773753E+04 0.49454E-05 -0.74976E-05 3512 0.113E-02
89 F= -.45797477E+04 E0= -.45797992E+04 d E =-.508579E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.457872344348E+04 0.10243E+01 -0.69597E+02 3152 0.246E+01 0.557E+00
DAV: 2 -0.458024821952E+04 -0.15248E+01 -0.18128E+01 3544 0.359E+00 0.325E+00
DAV: 3 -0.458020024749E+04 0.47972E-01 -0.35285E-01 3720 0.645E-01 0.209E+00
DAV: 4 -0.458020784757E+04 -0.76001E-02 -0.27493E-01 3568 0.690E-01 0.750E-01
DAV: 5 -0.458020877249E+04 -0.92491E-03 -0.52920E-02 3696 0.253E-01 0.491E-01
DAV: 6 -0.458020731113E+04 0.14614E-02 -0.26001E-02 3544 0.195E-01 0.167E-01
DAV: 7 -0.458020726707E+04 0.44058E-04 -0.49934E-03 3584 0.667E-02 0.108E-01
DAV: 8 -0.458020714432E+04 0.12275E-03 -0.85876E-04 3512 0.382E-02 0.471E-02
DAV: 9 -0.458020718107E+04 -0.36754E-04 -0.43981E-04 3688 0.243E-02 0.299E-02
DAV: 10 -0.458020719389E+04 -0.12819E-04 -0.78138E-05 3328 0.118E-02 0.130E-02
DAV: 11 -0.458020721326E+04 -0.19370E-04 -0.37785E-05 2848 0.659E-03 0.800E-03
DAV: 12 -0.458020723188E+04 -0.18622E-04 -0.48021E-06 2232 0.375E-03 0.413E-03
DAV: 13 -0.458020725253E+04 -0.20646E-04 -0.70196E-06 2224 0.352E-03 0.324E-03
DAV: 14 -0.458020726672E+04 -0.14190E-04 -0.23266E-06 2208 0.214E-03 0.204E-03
DAV: 15 -0.458020727662E+04 -0.98989E-05 -0.20073E-06 2224 0.180E-03
90 F= -.45802073E+04 E0= -.45802587E+04 d E =-.459539E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.458015223866E+04 0.55028E-01 -0.35099E+01 3160 0.553E+00 0.123E+00
DAV: 2 -0.458022394237E+04 -0.71704E-01 -0.87040E-01 3536 0.794E-01 0.717E-01
DAV: 3 -0.458022219711E+04 0.17453E-02 -0.16696E-02 3704 0.141E-01 0.455E-01
DAV: 4 -0.458022315000E+04 -0.95289E-03 -0.12964E-02 3536 0.151E-01 0.160E-01
DAV: 5 -0.458022322198E+04 -0.71981E-04 -0.25288E-03 3664 0.558E-02 0.107E-01
DAV: 6 -0.458022315387E+04 0.68106E-04 -0.12140E-03 3576 0.423E-02 0.381E-02
DAV: 7 -0.458022315204E+04 0.18300E-05 -0.23596E-04 3512 0.149E-02 0.241E-02
DAV: 8 -0.458022314665E+04 0.53970E-05 -0.39108E-05 3216 0.822E-03
91 F= -.45802231E+04 E0= -.45802745E+04 d E =-.475409E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.457931036648E+04 0.91279E+00 -0.62326E+02 3160 0.233E+01 0.522E+00
DAV: 2 -0.458067585537E+04 -0.13655E+01 -0.16149E+01 3536 0.339E+00 0.308E+00
DAV: 3 -0.458063272748E+04 0.43128E-01 -0.30346E-01 3784 0.607E-01 0.198E+00
DAV: 4 -0.458063888338E+04 -0.61559E-02 -0.24248E-01 3504 0.651E-01 0.690E-01
DAV: 5 -0.458064009499E+04 -0.12116E-02 -0.45293E-02 3768 0.236E-01 0.455E-01
DAV: 6 -0.458063884700E+04 0.12480E-02 -0.24563E-02 3544 0.184E-01 0.144E-01
DAV: 7 -0.458063877553E+04 0.71474E-04 -0.31499E-03 3552 0.580E-02 0.930E-02
DAV: 8 -0.458063869046E+04 0.85072E-04 -0.82290E-04 3576 0.367E-02 0.386E-02
DAV: 9 -0.458063871026E+04 -0.19798E-04 -0.27597E-04 3584 0.186E-02 0.277E-02
DAV: 10 -0.458063870721E+04 0.30457E-05 -0.59654E-05 3120 0.115E-02
92 F= -.45806387E+04 E0= -.45806896E+04 d E =-.415561E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.458059517961E+04 0.43531E-01 -0.27370E+01 3152 0.489E+00 0.108E+00
DAV: 2 -0.458065169293E+04 -0.56513E-01 -0.68045E-01 3528 0.701E-01 0.636E-01
DAV: 3 -0.458065027731E+04 0.14156E-02 -0.12699E-02 3680 0.125E-01 0.406E-01
DAV: 4 -0.458065097792E+04 -0.70061E-03 -0.10078E-02 3488 0.133E-01 0.138E-01
DAV: 5 -0.458065105066E+04 -0.72738E-04 -0.19342E-03 3784 0.490E-02 0.913E-02
DAV: 6 -0.458065100404E+04 0.46616E-04 -0.10160E-03 3560 0.373E-02 0.293E-02
DAV: 7 -0.458065100163E+04 0.24124E-05 -0.12390E-04 3520 0.117E-02 0.182E-02
DAV: 8 -0.458065100056E+04 0.10706E-05 -0.33063E-05 2696 0.757E-03
93 F= -.45806510E+04 E0= -.45807017E+04 d E =-.427854E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.457961569828E+04 0.10353E+01 -0.67743E+02 3152 0.243E+01 0.539E+00
DAV: 2 -0.458110566928E+04 -0.14900E+01 -0.17505E+01 3512 0.353E+00 0.318E+00