N E dE d eps ncg rms rms(c) DAV: 1 0.596653141105E+03 0.59665E+03 -0.25881E+04 624 0.267E+03 DAV: 2 0.623345463345E+02 -0.53432E+03 -0.51835E+03 528 0.686E+02 DAV: 3 -0.345161688160E+02 -0.96851E+02 -0.95130E+02 592 0.177E+02 DAV: 4 -0.396844882990E+02 -0.51683E+01 -0.51441E+01 644 0.493E+01 DAV: 5 -0.397821751227E+02 -0.97687E-01 -0.97604E-01 608 0.718E+00 0.862E+00 DAV: 6 -0.393717033170E+02 0.41047E+00 -0.25341E-01 612 0.241E+00 0.520E+00 DAV: 7 -0.391755088751E+02 0.19619E+00 -0.43297E-01 608 0.276E+00 0.368E-01 DAV: 8 -0.391805884971E+02 -0.50796E-02 -0.40561E-02 616 0.145E+00 0.243E-01 DAV: 9 -0.391827618332E+02 -0.21733E-02 -0.46523E-03 576 0.269E-01 0.116E-01 DAV: 10 -0.391827870400E+02 -0.25207E-04 -0.12487E-04 564 0.683E-02 0.672E-02 DAV: 11 -0.391829174310E+02 -0.13039E-03 -0.23116E-04 480 0.557E-02 0.181E-02 DAV: 12 -0.391829170389E+02 0.39209E-06 -0.10146E-05 416 0.197E-02 1 F= -.39182917E+02 E0= -.39184966E+02 d E =-.391829E+02 N E dE d eps ncg rms rms(c) DAV: 1 -0.456347347490E+02 -0.64518E+01 -0.13547E+02 708 0.156E+02 0.149E+01 DAV: 2 -0.410537462508E+02 0.45810E+01 -0.13092E+01 676 0.368E+01 0.785E+00 DAV: 3 -0.394302802713E+02 0.16235E+01 -0.39787E+00 696 0.176E+01 0.159E+00 DAV: 4 -0.393456981922E+02 0.84582E-01 -0.31603E-01 652 0.579E+00 0.952E-01 DAV: 5 -0.393308937967E+02 0.14804E-01 -0.22086E-02 580 0.126E+00 0.342E-01 DAV: 6 -0.393307675002E+02 0.12630E-03 -0.23617E-03 712 0.437E-01 0.118E-01 DAV: 7 -0.393308379294E+02 -0.70429E-04 -0.37895E-04 628 0.181E-01 0.242E-02 DAV: 8 -0.393307915380E+02 0.46391E-04 -0.13883E-04 624 0.143E-01 0.966E-03 DAV: 9 -0.393307927904E+02 -0.12525E-05 -0.51427E-06 320 0.157E-02 2 F= -.39330793E+02 E0= -.39331564E+02 d E =-.147876E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.404007365799E+02 -0.10699E+01 -0.16424E+01 708 0.432E+01 0.606E+00 DAV: 2 -0.396638273096E+02 0.73691E+00 -0.18232E+00 672 0.153E+01 0.305E+00 DAV: 3 -0.394338827020E+02 0.22994E+00 -0.47041E-01 712 0.672E+00 0.833E-01 DAV: 4 -0.394208341926E+02 0.13049E-01 -0.40573E-02 620 0.211E+00 0.500E-01 DAV: 5 -0.394181033589E+02 0.27308E-02 -0.34882E-03 608 0.535E-01 0.155E-01 DAV: 6 -0.394181381072E+02 -0.34748E-04 -0.36876E-04 748 0.181E-01 0.401E-02 DAV: 7 -0.394181411694E+02 -0.30621E-05 -0.33361E-05 452 0.406E-02 3 F= -.39418141E+02 E0= -.39418979E+02 d E =-.235224E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.394328752062E+02 -0.14737E-01 -0.28060E-01 708 0.602E+00 0.771E-01 DAV: 2 -0.394208579583E+02 0.12017E-01 -0.30022E-02 692 0.194E+00 0.392E-01 DAV: 3 -0.394170078688E+02 0.38501E-02 -0.84390E-03 720 0.902E-01 0.102E-01 DAV: 4 -0.394168037988E+02 0.20407E-03 -0.73290E-04 620 0.287E-01 0.616E-02 DAV: 5 -0.394167686675E+02 0.35131E-04 -0.57676E-05 584 0.678E-02 0.197E-02 DAV: 6 -0.394167708829E+02 -0.22153E-05 -0.53811E-06 308 0.252E-02 4 F= -.39416771E+02 E0= -.39417626E+02 d E =-.233854E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.394205868950E+02 -0.38182E-02 -0.50953E-02 708 0.260E+00 0.326E-01 DAV: 2 -0.394184540747E+02 0.21328E-02 -0.53111E-03 692 0.809E-01 0.166E-01 DAV: 3 -0.394177517252E+02 0.70235E-03 -0.15236E-03 720 0.381E-01 0.428E-02 DAV: 4 -0.394177078543E+02 0.43871E-04 -0.13167E-04 600 0.122E-01 0.258E-02 DAV: 5 -0.394176952492E+02 0.12605E-04 -0.89098E-06 324 0.291E-02 0.721E-03 DAV: 6 -0.394176944423E+02 0.80687E-06 -0.17827E-06 304 0.129E-02 5 F= -.39417694E+02 E0= -.39418543E+02 d E =-.234777E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.394193868480E+02 -0.16916E-02 -0.23859E-02 708 0.177E+00 0.222E-01 DAV: 2 -0.394183953134E+02 0.99153E-03 -0.25082E-03 692 0.557E-01 0.113E-01 DAV: 3 -0.394180704198E+02 0.32489E-03 -0.71326E-04 720 0.261E-01 0.290E-02 DAV: 4 -0.394180490004E+02 0.21419E-04 -0.60968E-05 572 0.834E-02 0.175E-02 DAV: 5 -0.394180421610E+02 0.68394E-05 -0.53959E-06 308 0.213E-02 6 F= -.39418042E+02 E0= -.39418885E+02 d E =-.235125E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.394182524611E+02 -0.20346E-03 -0.26994E-03 708 0.598E-01 0.735E-02 DAV: 2 -0.394181433632E+02 0.10910E-03 -0.28051E-04 676 0.185E-01 0.375E-02 DAV: 3 -0.394181063909E+02 0.36972E-04 -0.78746E-05 660 0.868E-02 0.989E-03 DAV: 4 -0.394181031645E+02 0.32264E-05 -0.62957E-06 324 0.278E-02 7 F= -.39418103E+02 E0= -.39418945E+02 d E =-.235186E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.394450608839E+02 -0.26954E-01 -0.30041E+00 664 0.106E+01 0.763E-01 DAV: 2 -0.394406877261E+02 0.43732E-02 -0.84472E-02 640 0.237E+00 0.388E-01 DAV: 3 -0.394369999509E+02 0.36878E-02 -0.10152E-02 716 0.992E-01 0.963E-02 DAV: 4 -0.394367820389E+02 0.21791E-03 -0.10068E-03 576 0.297E-01 0.611E-02 DAV: 5 -0.394367363763E+02 0.45663E-04 -0.10730E-04 656 0.800E-02 0.279E-02 DAV: 6 -0.394367389403E+02 -0.25641E-05 -0.11200E-05 300 0.344E-02 8 F= -.39436739E+02 E0= -.39438162E+02 d E =-.186358E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.394383992600E+02 -0.16629E-02 -0.25643E-01 664 0.317E+00 0.221E-01 DAV: 2 -0.394380442895E+02 0.35497E-03 -0.75767E-03 644 0.732E-01 0.111E-01 DAV: 3 -0.394377372997E+02 0.30699E-03 -0.81991E-04 720 0.273E-01 0.280E-02 DAV: 4 -0.394377215030E+02 0.15797E-04 -0.81384E-05 588 0.806E-02 0.177E-02 DAV: 5 -0.394377192501E+02 0.22529E-05 -0.70846E-06 300 0.218E-02 9 F= -.39437719E+02 E0= -.39439484E+02 d E =-.196161E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.394377131527E+02 0.83503E-05 -0.12992E-03 636 0.225E-01 0.167E-02 DAV: 2 -0.394377113817E+02 0.17711E-05 -0.37875E-05 460 0.520E-02 10 F= -.39437711E+02 E0= -.39439472E+02 d E =-.196082E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.394377185206E+02 -0.53679E-05 -0.45256E-04 744 0.140E-01 0.858E-03 DAV: 2 -0.394377174622E+02 0.10585E-05 -0.10638E-05 300 0.323E-02 11 F= -.39437717E+02 E0= -.39439481E+02 d E =-.196143E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.394377193262E+02 -0.80555E-06 -0.77059E-05 436 0.540E-02 0.440E-03 DAV: 2 -0.394377192814E+02 0.44800E-07 -0.27629E-06 288 0.137E-02 12 F= -.39437719E+02 E0= -.39439484E+02 d E =-.196161E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.394377196447E+02 -0.31851E-06 -0.54008E-06 288 0.165E-02 0.179E-03 DAV: 2 -0.394377197379E+02 -0.93207E-07 -0.15583E-06 284 0.132E-02 13 F= -.39437720E+02 E0= -.39439484E+02 d E =-.196166E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.394436326467E+02 -0.59130E-02 -0.12612E-01 700 0.383E+00 0.473E-01 DAV: 2 -0.394393728673E+02 0.42598E-02 -0.13640E-02 688 0.127E+00 0.241E-01 DAV: 3 -0.394379149580E+02 0.14579E-02 -0.30935E-03 708 0.533E-01 0.612E-02 DAV: 4 -0.394378302211E+02 0.84737E-04 -0.28970E-04 616 0.180E-01 0.363E-02 DAV: 5 -0.394378078530E+02 0.22368E-04 -0.17959E-05 376 0.407E-02 0.105E-02 DAV: 6 -0.394378067814E+02 0.10716E-05 -0.39168E-06 296 0.193E-02 14 F= -.39437807E+02 E0= -.39439558E+02 d E =-.870435E-04