N E dE d eps ncg rms rms(c) DAV: 1 0.458800044195E+03 0.45880E+03 -0.16244E+04 120 0.674E+02 DAV: 2 0.914614235920E+02 -0.36734E+03 -0.34782E+03 144 0.173E+02 DAV: 3 -0.805638947804E+02 -0.17203E+03 -0.16991E+03 120 0.105E+02 DAV: 4 -0.104142605980E+03 -0.23579E+02 -0.23279E+02 120 0.465E+01 DAV: 5 -0.104739237899E+03 -0.59663E+00 -0.59505E+00 120 0.800E+00 0.196E+01 DAV: 6 -0.932029834472E+02 0.11536E+02 -0.45361E+01 136 0.538E+01 0.901E+00 DAV: 7 -0.931220898078E+02 0.80894E-01 -0.11741E+01 120 0.137E+01 0.750E+00 DAV: 8 -0.923111434650E+02 0.81095E+00 -0.16689E+00 128 0.668E+00 0.479E+00 DAV: 9 -0.927182044776E+02 -0.40706E+00 -0.91724E+00 112 0.781E+00 0.986E+00 DAV: 10 -0.919715642232E+02 0.74664E+00 -0.92827E+00 128 0.623E+00 0.200E+00 DAV: 11 -0.920630500585E+02 -0.91486E-01 -0.21779E-01 112 0.221E+00 0.206E+00 DAV: 12 -0.920043156984E+02 0.58734E-01 -0.28336E-02 120 0.136E+00 0.125E+00 DAV: 13 -0.919979134520E+02 0.64022E-02 -0.51037E-02 120 0.152E+00 0.792E-01 DAV: 14 -0.920063540161E+02 -0.84406E-02 -0.29018E-02 120 0.912E-01 0.581E-01 DAV: 15 -0.920068661120E+02 -0.51210E-03 -0.82238E-03 120 0.591E-01 0.298E-01 DAV: 16 -0.920112031228E+02 -0.43370E-02 -0.19986E-03 120 0.245E-01 0.105E-01 DAV: 17 -0.920180849639E+02 -0.68818E-02 -0.17855E-03 112 0.166E-01 0.255E-01 DAV: 18 -0.920206563502E+02 -0.25714E-02 -0.16959E-03 112 0.266E-01 0.191E-01 DAV: 19 -0.920234821761E+02 -0.28258E-02 -0.60630E-04 112 0.155E-01 0.305E-02 DAV: 20 -0.920253592823E+02 -0.18771E-02 -0.24214E-04 104 0.451E-02 0.188E-02 DAV: 21 -0.920262423191E+02 -0.88304E-03 -0.96582E-05 104 0.276E-02 0.296E-02 DAV: 22 -0.920266332385E+02 -0.39092E-03 -0.55638E-05 104 0.397E-02 0.207E-02 DAV: 23 -0.920267776369E+02 -0.14440E-03 -0.11262E-05 88 0.213E-02 0.372E-03 DAV: 24 -0.920268781756E+02 -0.10054E-03 -0.83706E-06 80 0.951E-03 0.508E-03 DAV: 25 -0.920269089257E+02 -0.30750E-04 -0.17773E-06 72 0.650E-03 0.136E-03 DAV: 26 -0.920269323499E+02 -0.23424E-04 -0.19735E-06 72 0.556E-03 0.124E-03 DAV: 27 -0.920269376817E+02 -0.53318E-05 -0.25314E-07 72 0.252E-03 1 F= -.92026938E+02 E0= -.92015853E+02 d E =-.920269E+02 N E dE d eps ncg rms rms(c) DAV: 1 -0.704084901531E+02 0.21618E+02 -0.21307E+03 104 0.218E+02 0.222E+01 DAV: 2 -0.901922023475E+02 -0.19784E+02 -0.20404E+02 112 0.606E+01 0.128E+01 DAV: 3 -0.882329517060E+02 0.19593E+01 -0.74108E+00 128 0.150E+01 0.859E+00 DAV: 4 -0.875799642264E+02 0.65299E+00 -0.29493E+00 104 0.808E+00 0.365E+00 DAV: 5 -0.875731597976E+02 0.68044E-02 -0.17811E-01 104 0.199E+00 0.231E+00 DAV: 6 -0.875709570217E+02 0.22028E-02 -0.16381E-01 112 0.183E+00 0.154E+00 DAV: 7 -0.875555411775E+02 0.15416E-01 -0.77108E-02 112 0.128E+00 0.355E-01 DAV: 8 -0.875606328635E+02 -0.50917E-02 -0.93375E-03 136 0.558E-01 0.180E-01 DAV: 9 -0.875621204233E+02 -0.14876E-02 -0.15508E-03 112 0.181E-01 0.754E-02 DAV: 10 -0.875643280768E+02 -0.22077E-02 -0.69523E-04 112 0.116E-01 0.412E-02 DAV: 11 -0.875657588837E+02 -0.14308E-02 -0.22388E-04 104 0.722E-02 0.218E-02 DAV: 12 -0.875676028776E+02 -0.18440E-02 -0.33160E-04 112 0.596E-02 0.208E-02 DAV: 13 -0.875685095044E+02 -0.90663E-03 -0.14064E-04 104 0.344E-02 0.150E-02 DAV: 14 -0.875689979824E+02 -0.48848E-03 -0.50260E-05 96 0.268E-02 0.517E-03 DAV: 15 -0.875693063699E+02 -0.30839E-03 -0.26665E-05 88 0.147E-02 0.489E-03 DAV: 16 -0.875694616858E+02 -0.15532E-03 -0.10388E-05 88 0.118E-02 0.251E-03 DAV: 17 -0.875695314717E+02 -0.69786E-04 -0.41607E-06 88 0.728E-03 0.124E-03 DAV: 18 -0.875695535600E+02 -0.22088E-04 -0.88264E-07 72 0.427E-03 0.905E-04 DAV: 19 -0.875695678085E+02 -0.14248E-04 -0.95599E-07 80 0.317E-03 0.496E-04 DAV: 20 -0.875695744331E+02 -0.66246E-05 -0.19314E-07 72 0.193E-03 2 F= -.87569574E+02 E0= -.87572745E+02 d E =0.445736E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.898095241058E+02 -0.22400E+01 -0.98679E+02 88 0.144E+02 0.138E+01 DAV: 2 -0.957558600948E+02 -0.59463E+01 -0.84658E+01 104 0.368E+01 0.830E+00 DAV: 3 -0.950189621925E+02 0.73690E+00 -0.32675E+00 104 0.912E+00 0.586E+00 DAV: 4 -0.947709833153E+02 0.24798E+00 -0.13276E+00 112 0.645E+00 0.266E+00 DAV: 5 -0.947616886635E+02 0.92947E-02 -0.18985E-01 112 0.225E+00 0.949E-01 DAV: 6 -0.947642069195E+02 -0.25183E-02 -0.30443E-02 120 0.863E-01 0.243E-01 DAV: 7 -0.947643142166E+02 -0.10730E-03 -0.48242E-03 120 0.350E-01 0.119E-01 DAV: 8 -0.947649999122E+02 -0.68570E-03 -0.10168E-03 120 0.138E-01 0.507E-02 DAV: 9 -0.947653892017E+02 -0.38929E-03 -0.18508E-04 120 0.874E-02 0.252E-02 DAV: 10 -0.947659885811E+02 -0.59938E-03 -0.13147E-04 120 0.615E-02 0.176E-02 DAV: 11 -0.947670521976E+02 -0.10636E-02 -0.14464E-04 96 0.429E-02 0.115E-02 DAV: 12 -0.947675816800E+02 -0.52948E-03 -0.53877E-05 112 0.288E-02 0.871E-03 DAV: 13 -0.947679875687E+02 -0.40589E-03 -0.28060E-05 96 0.174E-02 0.486E-03 DAV: 14 -0.947682543173E+02 -0.26675E-03 -0.15816E-05 88 0.145E-02 0.313E-03 DAV: 15 -0.947683663165E+02 -0.11200E-03 -0.51483E-06 88 0.875E-03 0.294E-03 DAV: 16 -0.947684617794E+02 -0.95463E-04 -0.40803E-06 80 0.669E-03 0.135E-03 DAV: 17 -0.947685055434E+02 -0.43764E-04 -0.20943E-06 88 0.565E-03 0.132E-03 DAV: 18 -0.947685186772E+02 -0.13134E-04 -0.52519E-07 64 0.378E-03 0.575E-04 DAV: 19 -0.947685281739E+02 -0.94966E-05 -0.40702E-07 72 0.259E-03 3 F= -.94768528E+02 E0= -.94772504E+02 d E =-.274159E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.944459844488E+02 0.32253E+00 -0.49963E+02 104 0.103E+02 0.574E+00 DAV: 2 -0.961060766811E+02 -0.16601E+01 -0.20834E+01 104 0.189E+01 0.343E+00 DAV: 3 -0.959772516864E+02 0.12882E+00 -0.55606E-01 112 0.397E+00 0.221E+00 DAV: 4 -0.959433215700E+02 0.33930E-01 -0.51140E-01 104 0.347E+00 0.783E-01 DAV: 5 -0.959426805710E+02 0.64100E-03 -0.74201E-02 112 0.138E+00 0.353E-01 DAV: 6 -0.959441751475E+02 -0.14946E-02 -0.14292E-02 104 0.518E-01 0.145E-01 DAV: 7 -0.959449118817E+02 -0.73673E-03 -0.94016E-04 120 0.191E-01 0.651E-02 DAV: 8 -0.959455979433E+02 -0.68606E-03 -0.46195E-04 120 0.117E-01 0.377E-02 DAV: 9 -0.959460300174E+02 -0.43207E-03 -0.15831E-04 104 0.528E-02 0.135E-02 DAV: 10 -0.959468972992E+02 -0.86728E-03 -0.15329E-04 108 0.513E-02 0.156E-02 DAV: 11 -0.959473767884E+02 -0.47949E-03 -0.90989E-05 104 0.409E-02 0.104E-02 DAV: 12 -0.959476009061E+02 -0.22412E-03 -0.38501E-05 112 0.272E-02 0.612E-03 DAV: 13 -0.959477896141E+02 -0.18871E-03 -0.23119E-05 104 0.182E-02 0.573E-03 DAV: 14 -0.959479137006E+02 -0.12409E-03 -0.10820E-05 96 0.139E-02 0.252E-03 DAV: 15 -0.959479823981E+02 -0.68698E-04 -0.34262E-06 96 0.752E-03 0.248E-03 DAV: 16 -0.959480219058E+02 -0.39508E-04 -0.25053E-06 80 0.586E-03 0.762E-04 DAV: 17 -0.959480383525E+02 -0.16447E-04 -0.70890E-07 88 0.380E-03 0.480E-04 DAV: 18 -0.959480483567E+02 -0.10004E-04 -0.38809E-07 72 0.208E-03 0.276E-04 DAV: 19 -0.959480529924E+02 -0.46357E-05 -0.15007E-07 72 0.155E-03 4 F= -.95948053E+02 E0= -.95951918E+02 d E =-.117952E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.959481690846E+02 -0.12073E-03 -0.18701E-01 96 0.201E+00 0.939E-02 DAV: 2 -0.959484301952E+02 -0.26111E-03 -0.40696E-03 112 0.298E-01 0.477E-02 DAV: 3 -0.959484377279E+02 -0.75327E-05 -0.11793E-04 112 0.608E-02 0.282E-02 DAV: 4 -0.959484697811E+02 -0.32053E-04 -0.40500E-05 96 0.360E-02 0.847E-03 DAV: 5 -0.959484753876E+02 -0.56065E-05 -0.95273E-06 72 0.166E-02 5 F= -.95948475E+02 E0= -.95952341E+02 d E =-.117995E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.957676370380E+02 0.18083E+00 -0.24898E+02 88 0.701E+01 0.411E+00 DAV: 2 -0.966682038283E+02 -0.90057E+00 -0.10806E+01 104 0.128E+01 0.247E+00 DAV: 3 -0.965995833475E+02 0.68620E-01 -0.29178E-01 112 0.269E+00 0.152E+00 DAV: 4 -0.965899209309E+02 0.96624E-02 -0.21416E-01 104 0.221E+00 0.552E-01 DAV: 5 -0.965925394842E+02 -0.26186E-02 -0.28056E-02 112 0.810E-01 0.258E-01 DAV: 6 -0.965936274952E+02 -0.10880E-02 -0.91538E-03 104 0.403E-01 0.111E-01 DAV: 7 -0.965936814033E+02 -0.53908E-04 -0.98363E-04 104 0.174E-01 0.485E-02 DAV: 8 -0.965939267812E+02 -0.24538E-03 -0.50829E-04 112 0.970E-02 0.433E-02