N E dE d eps ncg rms rms(c) DAV: 1 0.362133061003E+04 0.36213E+04 -0.24990E+05 7296 0.119E+03 DAV: 2 -0.447569434102E+03 -0.40689E+04 -0.39905E+04 8640 0.325E+02 DAV: 3 -0.744047904549E+03 -0.29648E+03 -0.29533E+03 9280 0.959E+01 DAV: 4 -0.750161689493E+03 -0.61138E+01 -0.61014E+01 10176 0.132E+01 DAV: 5 -0.750479298605E+03 -0.31761E+00 -0.31752E+00 10912 0.193E+00 0.133E+02 DAV: 6 -0.674255567764E+03 0.76224E+02 -0.30909E+02 8384 0.281E+01 0.757E+01 DAV: 7 -0.674361106475E+03 -0.10554E+00 -0.21736E+01 8864 0.756E+00 0.125E+01 DAV: 8 -0.674197232295E+03 0.16387E+00 -0.13696E+00 9088 0.225E+00 0.389E+00 DAV: 9 -0.674200659250E+03 -0.34270E-02 -0.24347E-01 8704 0.108E+00 0.109E+00 DAV: 10 -0.674208112580E+03 -0.74533E-02 -0.57919E-02 9792 0.568E-01 0.531E-01 DAV: 11 -0.674210543019E+03 -0.24304E-02 -0.12192E-02 8320 0.253E-01 0.254E-01 DAV: 12 -0.674210743080E+03 -0.20006E-03 -0.41507E-03 8352 0.154E-01 0.834E-02 DAV: 13 -0.674210784931E+03 -0.41851E-04 -0.13448E-03 8768 0.892E-02 0.539E-02 DAV: 14 -0.674210786274E+03 -0.13429E-05 -0.46053E-04 8512 0.528E-02 0.275E-02 DAV: 15 -0.674210785748E+03 0.52610E-06 -0.91366E-05 9504 0.221E-02 1 F= -.68635430E+03 E0= -.68635430E+03 d E =-.686354E+03 N E dE d eps ncg rms rms(c) DAV: 1 -0.674245804717E+03 -0.35018E-01 -0.49301E+02 7040 0.438E+01 0.168E+01 DAV: 2 -0.672913485489E+03 0.13323E+01 -0.21613E+01 8768 0.852E+00 0.850E+00 DAV: 3 -0.672489983262E+03 0.42350E+00 -0.10394E+00 8864 0.215E+00 0.509E+00 DAV: 4 -0.672356094791E+03 0.13389E+00 -0.58505E-01 9440 0.157E+00 0.172E+00 DAV: 5 -0.672356522755E+03 -0.42796E-03 -0.85890E-02 8672 0.588E-01 0.146E+00 DAV: 6 -0.672355348651E+03 0.11741E-02 -0.92460E-03 9312 0.174E-01 0.915E-01 DAV: 7 -0.672354672210E+03 0.67644E-03 -0.34014E-03 9312 0.149E-01 0.139E-01 DAV: 8 -0.672354610892E+03 0.61319E-04 -0.16979E-03 8832 0.838E-02 0.658E-02 DAV: 9 -0.672354616051E+03 -0.51597E-05 -0.16630E-04 8576 0.253E-02 0.562E-02 DAV: 10 -0.672354612838E+03 0.32130E-05 -0.34617E-05 8096 0.145E-02 2 F= -.68490059E+03 E0= -.68490059E+03 d E =0.145371E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.675540815581E+03 -0.31862E+01 -0.18620E+02 7040 0.268E+01 0.104E+01 DAV: 2 -0.675019795071E+03 0.52102E+00 -0.67901E+00 8960 0.495E+00 0.420E+00 DAV: 3 -0.674832053199E+03 0.18774E+00 -0.64153E-01 8800 0.167E+00 0.147E+00 DAV: 4 -0.674816837030E+03 0.15216E-01 -0.12574E-01 9248 0.651E-01 0.814E-01 DAV: 5 -0.674815309112E+03 0.15279E-02 -0.98519E-03 9056 0.227E-01 0.444E-01 DAV: 6 -0.674814702252E+03 0.60686E-03 -0.35573E-03 9408 0.140E-01 0.145E-01 DAV: 7 -0.674814616175E+03 0.86077E-04 -0.93585E-04 9472 0.662E-02 0.659E-02 DAV: 8 -0.674814575993E+03 0.40183E-04 -0.13184E-04 8480 0.246E-02 0.373E-02 DAV: 9 -0.674814550716E+03 0.25276E-04 -0.41456E-05 8896 0.179E-02 0.152E-02 DAV: 10 -0.674814543596E+03 0.71204E-05 -0.30391E-05 7616 0.141E-02 3 F= -.68711507E+03 E0= -.68711507E+03 d E =-.760771E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.677301829888E+03 -0.24873E+01 -0.27251E+02 7040 0.324E+01 0.135E+01 DAV: 2 -0.675390210801E+03 0.19116E+01 -0.13525E+01 8672 0.654E+00 0.593E+00 DAV: 3 -0.675126110825E+03 0.26410E+00 -0.62053E-01 8736 0.158E+00 0.321E+00 DAV: 4 -0.675076446591E+03 0.49664E-01 -0.34054E-01 9216 0.110E+00 0.123E+00 DAV: 5 -0.675078260586E+03 -0.18140E-02 -0.29753E-02 9056 0.330E-01 0.121E+00 DAV: 6 -0.675078701192E+03 -0.44061E-03 -0.40170E-03 10240 0.102E-01 0.767E-01 DAV: 7 -0.675078754869E+03 -0.53677E-04 -0.34182E-03 9472 0.132E-01 0.163E-01 DAV: 8 -0.675078832783E+03 -0.77914E-04 -0.13187E-03 8704 0.647E-02 0.127E-01 DAV: 9 -0.675078835850E+03 -0.30673E-05 -0.59088E-05 8640 0.149E-02 4 F= -.68773601E+03 E0= -.68773601E+03 d E =-.620940E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.675371653826E+03 -0.29282E+00 -0.16306E+01 7040 0.790E+00 0.318E+00 DAV: 2 -0.675255470826E+03 0.11618E+00 -0.70141E-01 8800 0.152E+00 0.133E+00 DAV: 3 -0.675238404138E+03 0.17067E-01 -0.46161E-02 8640 0.415E-01 0.542E-01 DAV: 4 -0.675236475490E+03 0.19286E-02 -0.13305E-02 9248 0.209E-01 0.246E-01 DAV: 5 -0.675236467051E+03 0.84396E-05 -0.99859E-04 10176 0.618E-02 0.195E-01 DAV: 6 -0.675236460819E+03 0.62312E-05 -0.20276E-04 10752 0.253E-02 0.701E-02 DAV: 7 -0.675236427179E+03 0.33640E-04 -0.57466E-05 9472 0.185E-02 0.175E-02 DAV: 8 -0.675236423826E+03 0.33538E-05 -0.25005E-05 7296 0.921E-03 5 F= -.68780743E+03 E0= -.68780743E+03 d E =-.692353E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.676016248217E+03 -0.77982E+00 -0.16373E+02 7104 0.248E+01 0.121E+01 DAV: 2 -0.675077856450E+03 0.93839E+00 -0.68401E+00 8960 0.482E+00 0.384E+00 DAV: 3 -0.674940838695E+03 0.13702E+00 -0.57195E-01 8288 0.141E+00 0.189E+00 DAV: 4 -0.674921882354E+03 0.18956E-01 -0.10122E-01 9088 0.632E-01 0.820E-01 DAV: 5 -0.674921855992E+03 0.26362E-04 -0.11939E-02 9920 0.256E-01 0.305E-01 DAV: 6 -0.674921850960E+03 0.50318E-05 -0.27679E-03 9088 0.115E-01 0.128E-01 DAV: 7 -0.674921816168E+03 0.34792E-04 -0.47465E-04 9024 0.531E-02 0.545E-02 DAV: 8 -0.674921793527E+03 0.22641E-04 -0.12149E-04 10144 0.397E-02 0.242E-02 DAV: 9 -0.674921784365E+03 0.91620E-05 -0.65074E-05 9440 0.296E-02 6 F= -.68773288E+03 E0= -.68773288E+03 d E =0.745463E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.675665772257E+03 -0.74398E+00 -0.46523E+01 7328 0.132E+01 0.583E+00 DAV: 2 -0.675410797977E+03 0.25497E+00 -0.17207E+00 8960 0.245E+00 0.237E+00 DAV: 3 -0.675369019407E+03 0.41779E-01 -0.18677E-01 8320 0.783E-01 0.133E+00 DAV: 4 -0.675363026714E+03 0.59927E-02 -0.34146E-02 9184 0.372E-01 0.548E-01 DAV: 5 -0.675362643614E+03 0.38310E-03 -0.53811E-03 9472 0.160E-01 0.190E-01 DAV: 6 -0.675362453250E+03 0.19036E-03 -0.16963E-03 8480 0.847E-02 0.832E-02 DAV: 7 -0.675362393371E+03 0.59879E-04 -0.30864E-04 8832 0.355E-02 0.256E-02 DAV: 8 -0.675362377413E+03 0.15958E-04 -0.39650E-05 7936 0.184E-02 0.162E-02 DAV: 9 -0.675362365415E+03 0.11998E-04 -0.12328E-05 6720 0.141E-02 0.622E-03 DAV: 10 -0.675362359122E+03 0.62929E-05 -0.87773E-06 6080 0.103E-02 7 F= -.68804585E+03 E0= -.68804585E+03 d E =-.238425E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.675469622267E+03 -0.10726E+00 -0.36936E+01 7040 0.118E+01 0.493E+00 DAV: 2 -0.675493997507E+03 -0.24375E-01 -0.10663E+00 8960 0.194E+00 0.202E+00 DAV: 3 -0.675477629852E+03 0.16368E-01 -0.66582E-02 8640 0.546E-01 0.961E-01 DAV: 4 -0.675476008684E+03 0.16212E-02 -0.14610E-02 9280 0.249E-01 0.340E-01 DAV: 5 -0.675475905908E+03 0.10278E-03 -0.22941E-03 10304 0.121E-01 0.109E-01 DAV: 6 -0.675475906268E+03 -0.35955E-06 -0.38290E-04 9088 0.403E-02 0.596E-02 DAV: 7 -0.675475897695E+03 0.85725E-05 -0.79167E-05 8672 0.197E-02 8 F= -.68822561E+03 E0= -.68822561E+03 d E =-.179763E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.675470739265E+03 0.51670E-02 -0.33888E-01 7680 0.113E+00 0.447E-01 DAV: 2 -0.675470970981E+03 -0.23172E-03 -0.10008E-02 8960 0.188E-01 0.204E-01 DAV: 3 -0.675470796973E+03 0.17401E-03 -0.66137E-04 8640 0.551E-02 0.107E-01 DAV: 4 -0.675470777211E+03 0.19763E-04 -0.14995E-04 9280 0.263E-02 0.365E-02 DAV: 5 -0.675470779983E+03 -0.27723E-05 -0.26470E-05 7136 0.142E-02 9 F= -.68822674E+03 E0= -.68822674E+03 d E =-.180888E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.675570496151E+03 -0.99719E-01 -0.74459E+00 7040 0.523E+00 0.906E-01 DAV: 2 -0.675583321582E+03 -0.12825E-01 -0.17438E-01 8640 0.759E-01 0.399E-01 DAV: 3 -0.675581733091E+03 0.15885E-02 -0.38726E-03 8960 0.144E-01 0.237E-01 DAV: 4 -0.675581370017E+03 0.36307E-03 -0.32759E-03 8640 0.126E-01 0.856E-02 DAV: 5 -0.675581350768E+03 0.19250E-04 -0.53042E-04 8704 0.549E-02 0.428E-02 DAV: 6 -0.675581355055E+03 -0.42871E-05 -0.12361E-04 8640 0.214E-02 0.220E-02 DAV: 7 -0.675581352205E+03 0.28498E-05 -0.80570E-06 6016 0.963E-03 10 F= -.68834391E+03 E0= -.68834391E+03 d E =-.117172E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.675705809254E+03 -0.12445E+00 -0.67089E+01 7040 0.157E+01 0.277E+00 DAV: 2 -0.675821972872E+03 -0.11616E+00 -0.15968E+00 8640 0.229E+00 0.120E+00 DAV: 3 -0.675807655879E+03 0.14317E-01 -0.34732E-02 8960 0.435E-01 0.735E-01 DAV: 4 -0.675804169684E+03 0.34862E-02 -0.30935E-02 8640 0.388E-01 0.268E-01 DAV: 5 -0.675803931186E+03 0.23850E-03 -0.51824E-03 8672 0.172E-01 0.136E-01 DAV: 6 -0.675803957078E+03 -0.25892E-04 -0.11979E-03 8672 0.661E-02 0.685E-02 DAV: 7 -0.675803917849E+03 0.39229E-04 -0.95532E-05 9152 0.315E-02 0.329E-02 DAV: 8 -0.675803909724E+03 0.81250E-05 -0.48729E-05 8640 0.185E-02 11 F= -.68858390E+03 E0= -.68858390E+03 d E =-.357158E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.675333022093E+03 0.47090E+00 -0.26861E+02 7040 0.314E+01 0.574E+00 DAV: 2 -0.675810565483E+03 -0.47754E+00 -0.66484E+00 8640 0.466E+00 0.244E+00 DAV: 3 -0.675753057394E+03 0.57508E-01 -0.14023E-01 8960 0.879E-01 0.156E+00 DAV: 4 -0.675737948931E+03 0.15108E-01 -0.12633E-01 8640 0.784E-01 0.581E-01 DAV: 5 -0.675736936167E+03 0.10128E-02 -0.22391E-02 8736 0.360E-01 0.289E-01 DAV: 6 -0.675737080941E+03 -0.14477E-03 -0.47865E-03 8672 0.133E-01 0.142E-01 DAV: 7 -0.675736912864E+03 0.16808E-03 -0.43083E-04 10368 0.673E-02 0.648E-02 DAV: 8 -0.675736880696E+03 0.32167E-04 -0.19447E-04 8672 0.357E-02 0.259E-02 DAV: 9 -0.675736867661E+03 0.13035E-04 -0.75402E-05 8640 0.213E-02 0.124E-02 DAV: 10 -0.675736861843E+03 0.58181E-05 -0.93068E-06 5856 0.947E-03 12 F= -.68854344E+03 E0= -.68854344E+03 d E =-.316706E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.675735230803E+03 0.16369E-02 -0.84638E+01 7040 0.176E+01 0.297E+00 DAV: 2 -0.675884193471E+03 -0.14896E+00 -0.19901E+00 8640 0.257E+00 0.132E+00 DAV: 3 -0.675864917363E+03 0.19276E-01 -0.47622E-02 8992 0.504E-01 0.742E-01 DAV: 4 -0.675860850153E+03 0.40672E-02 -0.31959E-02 8640 0.392E-01 0.279E-01 DAV: 5 -0.675860640390E+03 0.20976E-03 -0.50755E-03 8736 0.175E-01 0.121E-01 DAV: 6 -0.675860662048E+03 -0.21658E-04 -0.10735E-03 8640 0.628E-02 0.701E-02 DAV: 7 -0.675860608878E+03 0.53170E-04 -0.87627E-05 9280 0.297E-02 0.375E-02 DAV: 8 -0.675860589208E+03 0.19671E-04 -0.53551E-05 8544 0.211E-02 0.138E-02 DAV: 9 -0.675860586286E+03 0.29215E-05 -0.22548E-05 7392 0.120E-02 13 F= -.68865327E+03 E0= -.68865327E+03 d E =-.426535E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.675975605745E+03 -0.11502E+00 -0.27825E+01 7040 0.101E+01 0.264E+00 DAV: 2 -0.676031913282E+03 -0.56308E-01 -0.76196E-01 8832 0.160E+00 0.168E+00 DAV: 3 -0.676024959060E+03 0.69542E-02 -0.21505E-02 8992 0.321E-01 0.103E+00 DAV: 4 -0.676023079521E+03 0.18795E-02 -0.13373E-02 8704 0.244E-01 0.277E-01 DAV: 5 -0.676022907749E+03 0.17177E-03 -0.25497E-03 9312 0.135E-01 0.901E-02 DAV: 6 -0.676022898973E+03 0.87760E-05 -0.57631E-04 8640 0.449E-02 0.525E-02 DAV: 7 -0.676022865801E+03 0.33172E-04 -0.10370E-04 8800 0.238E-02 0.193E-02 DAV: 8 -0.676022859701E+03 0.60999E-05 -0.20501E-05 7104 0.130E-02 14 F= -.68880413E+03 E0= -.68880413E+03 d E =-.150852E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.676035860020E+03 -0.12994E-01 -0.82568E+00 7040 0.549E+00 0.146E+00 DAV: 2 -0.676052450720E+03 -0.16591E-01 -0.22477E-01 8832 0.873E-01 0.889E-01 DAV: 3 -0.676050328337E+03 0.21224E-02 -0.65398E-03 9024 0.178E-01 0.501E-01 DAV: 4 -0.676049826050E+03 0.50229E-03 -0.34647E-03 8768 0.123E-01 0.144E-01 DAV: 5 -0.676049785312E+03 0.40739E-04 -0.64422E-04 9248 0.691E-02 0.460E-02 DAV: 6 -0.676049780581E+03 0.47312E-05 -0.14937E-04 8672 0.230E-02 0.272E-02 DAV: 7 -0.676049769984E+03 0.10596E-04 -0.32555E-05 8384 0.131E-02 0.964E-03 DAV: 8 -0.676049768055E+03 0.19292E-05 -0.56621E-06 5824 0.709E-03 15 F= -.68882464E+03 E0= -.68882464E+03 d E =-.171368E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.676091809476E+03 -0.42039E-01 -0.45058E+00 7040 0.405E+00 0.767E-01 DAV: 2 -0.676098245749E+03 -0.64363E-02 -0.10909E-01 8960 0.616E-01 0.367E-01 DAV: 3 -0.676097101948E+03 0.11438E-02 -0.36320E-03 8992 0.140E-01 0.200E-01 DAV: 4 -0.676096799953E+03 0.30200E-03 -0.12697E-03 8640 0.801E-02 0.682E-02 DAV: 5 -0.676096787705E+03 0.12248E-04 -0.23190E-04 9216 0.401E-02 0.308E-02 DAV: 6 -0.676096791085E+03 -0.33802E-05 -0.65068E-05 8608 0.168E-02 16 F= -.68888173E+03 E0= -.68888173E+03 d E =-.570926E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.676101899590E+03 -0.51119E-02 -0.17211E+01 7040 0.792E+00 0.150E+00 DAV: 2 -0.676126506206E+03 -0.24607E-01 -0.41976E-01 8928 0.121E+00 0.720E-01 DAV: 3 -0.676122137836E+03 0.43684E-02 -0.13765E-02 8992 0.274E-01 0.390E-01 DAV: 4 -0.676120923213E+03 0.12146E-02 -0.49303E-03 8672 0.160E-01 0.132E-01 DAV: 5 -0.676120862049E+03 0.61164E-04 -0.92124E-04 9216 0.801E-02 0.623E-02 DAV: 6 -0.676120864399E+03 -0.23494E-05 -0.25750E-04 8672 0.335E-02 0.417E-02 DAV: 7 -0.676120851339E+03 0.13059E-04 -0.39814E-05 8832 0.163E-02 0.192E-02 DAV: 8 -0.676120848095E+03 0.32440E-05 -0.10622E-05 6080 0.113E-02 17 F= -.68892538E+03 E0= -.68892538E+03 d E =-.100734E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.676152661543E+03 -0.31810E-01 -0.28650E+00 7168 0.324E+00 0.759E-01 DAV: 2 -0.676156597488E+03 -0.39359E-02 -0.68821E-02 8768 0.480E-01 0.281E-01 DAV: 3 -0.676155862680E+03 0.73481E-03 -0.22651E-03 8992 0.106E-01 0.152E-01 DAV: 4 -0.676155709294E+03 0.15339E-03 -0.73117E-04 8736 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DAV: 5 -0.677011595652E+03 -0.10910E-04 -0.18312E-03 8832 0.101E-01 0.832E-02 DAV: 6 -0.677011596049E+03 -0.39706E-06 -0.69287E-04 8608 0.527E-02 0.481E-02 DAV: 7 -0.677011579819E+03 0.16229E-04 -0.58478E-05 8640 0.198E-02 0.293E-02 DAV: 8 -0.677011577526E+03 0.22931E-05 -0.15995E-05 6528 0.864E-03 127 F= -.69044045E+03 E0= -.69044045E+03 d E =-.459385E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.677018008431E+03 -0.64286E-02 -0.32414E+00 7040 0.322E+00 0.614E-01 DAV: 2 -0.677024661314E+03 -0.66529E-02 -0.78563E-02 8736 0.499E-01 0.290E-01 DAV: 3 -0.677024367981E+03 0.29333E-03 -0.16219E-03 9280 0.856E-02 0.169E-01 DAV: 4 -0.677024361745E+03 0.62359E-05 -0.10418E-03 8672 0.672E-02 0.583E-02 DAV: 5 -0.677024365329E+03 -0.35835E-05 -0.14055E-04 8864 0.321E-02 0.246E-02 DAV: 6 -0.677024369772E+03 -0.44437E-05 -0.50532E-05 8448 0.141E-02 128 F= -.69045490E+03 E0= -.69045490E+03 d E =-.144512E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.677013513842E+03 0.10851E-01 -0.10328E+01 7040 0.574E+00 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ncg rms rms(c) DAV: 1 -0.677036812025E+03 -0.31752E-02 -0.77581E-01 7104 0.164E+00 0.412E-01 DAV: 2 -0.677038364411E+03 -0.15524E-02 -0.19279E-02 8960 0.255E-01 0.206E-01 DAV: 3 -0.677038247102E+03 0.11731E-03 -0.52557E-04 9120 0.516E-02 0.112E-01 DAV: 4 -0.677038244140E+03 0.29622E-05 -0.24974E-04 8928 0.339E-02 0.251E-02 DAV: 5 -0.677038246280E+03 -0.21393E-05 -0.37475E-05 8320 0.139E-02 131 F= -.69047504E+03 E0= -.69047504E+03 d E =-.786006E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677031021617E+03 0.72225E-02 -0.38746E+00 7040 0.367E+00 0.930E-01 DAV: 2 -0.677038765321E+03 -0.77437E-02 -0.96176E-02 8960 0.571E-01 0.460E-01 DAV: 3 -0.677038174812E+03 0.59051E-03 -0.25862E-03 9120 0.115E-01 0.250E-01 DAV: 4 -0.677038156826E+03 0.17986E-04 -0.12584E-03 8928 0.763E-02 0.560E-02 DAV: 5 -0.677038162472E+03 -0.56454E-05 -0.19069E-04 8704 0.314E-02 0.321E-02 DAV: 6 -0.677038164450E+03 -0.19783E-05 -0.46559E-05 8384 0.134E-02 132 F= -.69048218E+03 E0= -.69048218E+03 d E =-.150054E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.677041592968E+03 -0.34305E-02 -0.10678E+00 7040 0.190E+00 0.313E-01 DAV: 2 -0.677043647229E+03 -0.20543E-02 -0.25334E-02 8896 0.291E-01 0.139E-01 DAV: 3 -0.677043562057E+03 0.85172E-04 -0.57524E-04 8960 0.483E-02 0.863E-02 DAV: 4 -0.677043549349E+03 0.12709E-04 -0.32354E-04 8992 0.382E-02 0.309E-02 DAV: 5 -0.677043552986E+03 -0.36376E-05 -0.46716E-05 8896 0.175E-02 133 F= -.69049107E+03 E0= -.69049107E+03 d E =-.888191E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677027826324E+03 0.15723E-01 -0.95993E+00 7040 0.571E+00 0.928E-01 DAV: 2 -0.677046232772E+03 -0.18406E-01 -0.22777E-01 8896 0.874E-01 0.420E-01 DAV: 3 -0.677045442123E+03 0.79065E-03 -0.51080E-03 8960 0.144E-01 0.261E-01 DAV: 4 -0.677045295259E+03 0.14686E-03 -0.29480E-03 8992 0.115E-01 0.944E-02 DAV: 5 -0.677045315353E+03 -0.20094E-04 -0.43030E-04 8960 0.537E-02 0.480E-02 DAV: 6 -0.677045323422E+03 -0.80690E-05 -0.19098E-04 8640 0.299E-02 0.272E-02 DAV: 7 -0.677045318917E+03 0.45057E-05 -0.17013E-05 6528 0.108E-02 134 F= -.69050324E+03 E0= -.69050324E+03 d E =-.210558E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.677049262487E+03 -0.39391E-02 -0.23749E+00 7040 0.285E+00 0.638E-01 DAV: 2 -0.677054314574E+03 -0.50521E-02 -0.59993E-02 8928 0.450E-01 0.351E-01 DAV: 3 -0.677054060366E+03 0.25421E-03 -0.14693E-03 9248 0.818E-02 0.197E-01 DAV: 4 -0.677054058548E+03 0.18185E-05 -0.77977E-04 8896 0.590E-02 0.507E-02 DAV: 5 -0.677054062570E+03 -0.40218E-05 -0.12291E-04 9056 0.271E-02 0.274E-02 DAV: 6 -0.677054064760E+03 -0.21904E-05 -0.37863E-05 8320 0.120E-02 135 F= -.69051477E+03 E0= -.69051477E+03 d E =-.115340E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.677050548289E+03 0.35143E-02 -0.25799E+00 7040 0.297E+00 0.662E-01 DAV: 2 -0.677056041767E+03 -0.54935E-02 -0.65174E-02 8896 0.468E-01 0.364E-01 DAV: 3 -0.677055775401E+03 0.26637E-03 -0.15787E-03 9248 0.849E-02 0.205E-01 DAV: 4 -0.677055775270E+03 0.13079E-06 -0.83707E-04 8928 0.615E-02 0.522E-02 DAV: 5 -0.677055779890E+03 -0.46206E-05 -0.13472E-04 9056 0.282E-02 0.284E-02 DAV: 6 -0.677055781999E+03 -0.21083E-05 -0.40497E-05 8352 0.124E-02 136 F= -.69051936E+03 E0= -.69051936E+03 d E =-.161232E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.677060532619E+03 -0.47527E-02 -0.32376E+00 7040 0.332E+00 0.644E-01 DAV: 2 -0.677067218344E+03 -0.66857E-02 -0.80219E-02 8672 0.517E-01 0.278E-01 DAV: 3 -0.677066838784E+03 0.37956E-03 -0.19335E-03 9088 0.920E-02 0.161E-01 DAV: 4 -0.677066777334E+03 0.61450E-04 -0.96313E-04 8736 0.685E-02 0.475E-02 DAV: 5 -0.677066782003E+03 -0.46690E-05 -0.14424E-04 8928 0.285E-02 0.278E-02 DAV: 6 -0.677066783165E+03 -0.11625E-05 -0.51827E-05 8416 0.143E-02 137 F= -.69053230E+03 E0= -.69053230E+03 d E =-.129405E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.677055422813E+03 0.11359E-01 -0.94992E+00 7040 0.569E+00 0.111E+00 DAV: 2 -0.677075008696E+03 -0.19586E-01 -0.23494E-01 8672 0.887E-01 0.478E-01 DAV: 3 -0.677073873060E+03 0.11356E-02 -0.56567E-03 9056 0.158E-01 0.274E-01 DAV: 4 -0.677073689590E+03 0.18347E-03 -0.27955E-03 8800 0.117E-01 0.809E-02 DAV: 5 -0.677073704037E+03 -0.14448E-04 -0.41944E-04 8832 0.484E-02 0.477E-02 DAV: 6 -0.677073706630E+03 -0.25927E-05 -0.14693E-04 8640 0.241E-02 0.268E-02 DAV: 7 -0.677073702291E+03 0.43388E-05 -0.11889E-05 5920 0.986E-03 138 F= -.69054243E+03 E0= -.69054243E+03 d E =-.230659E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.677080314411E+03 -0.66078E-02 -0.19667E+00 7040 0.261E+00 0.386E-01 DAV: 2 -0.677084271890E+03 -0.39575E-02 -0.47065E-02 8800 0.401E-01 0.199E-01 DAV: 3 -0.677084106335E+03 0.16555E-03 -0.10666E-03 9056 0.670E-02 0.124E-01 DAV: 4 -0.677084072734E+03 0.33602E-04 -0.54316E-04 8672 0.500E-02 0.434E-02 DAV: 5 -0.677084074220E+03 -0.14867E-05 -0.77413E-05 9056 0.238E-02 139 F= -.69055296E+03 E0= -.69055296E+03 d E =-.105263E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.677065207823E+03 0.18865E-01 -0.17674E+01 7040 0.783E+00 0.115E+00 DAV: 2 -0.677100649294E+03 -0.35441E-01 -0.42146E-01 8704 0.120E+00 0.594E-01 DAV: 3 -0.677099158632E+03 0.14907E-02 -0.93446E-03 9056 0.199E-01 0.374E-01 DAV: 4 -0.677098843954E+03 0.31468E-03 -0.48498E-03 8704 0.149E-01 0.131E-01 DAV: 5 -0.677098855654E+03 -0.11700E-04 -0.69929E-04 9152 0.722E-02 0.524E-02 DAV: 6 -0.677098871592E+03 -0.15938E-04 -0.28179E-04 8640 0.340E-02 0.309E-02 DAV: 7 -0.677098861417E+03 0.10175E-04 -0.26904E-05 7648 0.134E-02 0.193E-02 DAV: 8 -0.677098859132E+03 0.22848E-05 -0.84173E-06 5920 0.707E-03 140 F= -.69056802E+03 E0= -.69056802E+03 d E =-.255855E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.677101252641E+03 -0.23912E-02 -0.18103E+00 7104 0.251E+00 0.472E-01 DAV: 2 -0.677105039216E+03 -0.37866E-02 -0.43753E-02 8704 0.382E-01 0.253E-01 DAV: 3 -0.677104841748E+03 0.19747E-03 -0.88853E-04 9152 0.648E-02 0.148E-01 DAV: 4 -0.677104818201E+03 0.23546E-04 -0.53774E-04 8832 0.503E-02 0.377E-02 DAV: 5 -0.677104818134E+03 0.67674E-07 -0.93485E-05 8960 0.244E-02 141 F= -.69057493E+03 E0= -.69057493E+03 d E =-.691068E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677098383941E+03 0.64343E-02 -0.45544E+00 7040 0.399E+00 0.752E-01 DAV: 2 -0.677107942383E+03 -0.95584E-02 -0.11037E-01 8672 0.606E-01 0.400E-01 DAV: 3 -0.677107460008E+03 0.48238E-03 -0.22175E-03 9152 0.103E-01 0.234E-01 DAV: 4 -0.677107404137E+03 0.55871E-04 -0.13321E-03 8832 0.794E-02 0.596E-02 DAV: 5 -0.677107403230E+03 0.90701E-06 -0.23697E-04 8960 0.391E-02 0.290E-02 DAV: 6 -0.677107404659E+03 -0.14283E-05 -0.57851E-05 8416 0.145E-02 142 F= -.69057897E+03 E0= -.69057897E+03 d E =-.109550E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.677107602190E+03 -0.19896E-03 -0.16839E+00 7104 0.242E+00 0.337E-01 DAV: 2 -0.677110999550E+03 -0.33974E-02 -0.38790E-02 8192 0.356E-01 0.149E-01 DAV: 3 -0.677110873631E+03 0.12592E-03 -0.65550E-04 9184 0.531E-02 0.929E-02 DAV: 4 -0.677110856645E+03 0.16986E-04 -0.45973E-04 8640 0.473E-02 0.308E-02 DAV: 5 -0.677110860952E+03 -0.43071E-05 -0.73466E-05 8864 0.200E-02 143 F= -.69058480E+03 E0= -.69058480E+03 d E =-.583301E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677084622697E+03 0.26234E-01 -0.15137E+01 7040 0.724E+00 0.101E+00 DAV: 2 -0.677114953890E+03 -0.30331E-01 -0.34694E-01 8064 0.106E+00 0.452E-01 DAV: 3 -0.677113821863E+03 0.11320E-02 -0.59283E-03 9280 0.161E-01 0.283E-01 DAV: 4 -0.677113645889E+03 0.17597E-03 -0.42373E-03 8640 0.145E-01 0.945E-02 DAV: 5 -0.677113677319E+03 -0.31430E-04 -0.69379E-04 8832 0.612E-02 0.512E-02 DAV: 6 -0.677113688221E+03 -0.10901E-04 -0.21474E-04 8640 0.289E-02 0.259E-02 DAV: 7 -0.677113682347E+03 0.58734E-05 -0.17261E-05 6560 0.115E-02 144 F= -.69059459E+03 E0= -.69059459E+03 d E =-.156245E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.677108721670E+03 0.49666E-02 -0.17391E+00 7104 0.245E+00 0.342E-01 DAV: 2 -0.677112222516E+03 -0.35008E-02 -0.40054E-02 8096 0.362E-01 0.153E-01 DAV: 3 -0.677112085800E+03 0.13672E-03 -0.69409E-04 9280 0.549E-02 0.951E-02 DAV: 4 -0.677112062181E+03 0.23620E-04 -0.49677E-04 8640 0.496E-02 0.320E-02 DAV: 5 -0.677112066310E+03 -0.41299E-05 -0.81093E-05 8864 0.208E-02 145 F= -.69059529E+03 E0= -.69059529E+03 d E =-.163149E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.677108107289E+03 0.39549E-02 -0.48152E+00 7040 0.412E+00 0.650E-01 DAV: 2 -0.677117800341E+03 -0.96931E-02 -0.11425E-01 8352 0.617E-01 0.412E-01 DAV: 3 -0.677117389892E+03 0.41045E-03 -0.23229E-03 9280 0.104E-01 0.259E-01 DAV: 4 -0.677117367953E+03 0.21938E-04 -0.17123E-03 8672 0.914E-02 0.773E-02 DAV: 5 -0.677117367811E+03 0.14239E-06 -0.27900E-04 8992 0.420E-02 0.341E-02 DAV: 6 -0.677117374187E+03 -0.63760E-05 -0.91589E-05 8576 0.184E-02 146 F= -.69060537E+03 E0= -.69060537E+03 d E =-.100876E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.677112464125E+03 0.49037E-02 -0.20945E+00 7040 0.272E+00 0.429E-01 DAV: 2 -0.677116699265E+03 -0.42351E-02 -0.49782E-02 8352 0.407E-01 0.271E-01 DAV: 3 -0.677116526323E+03 0.17294E-03 -0.10169E-03 9280 0.682E-02 0.171E-01 DAV: 4 -0.677116516415E+03 0.99083E-05 -0.73148E-04 8672 0.601E-02 0.508E-02 DAV: 5 -0.677116517314E+03 -0.89961E-06 -0.12061E-04 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DAV: 4 -0.677124156885E+03 0.20273E-04 -0.73608E-04 8800 0.588E-02 0.445E-02 DAV: 5 -0.677124161015E+03 -0.41292E-05 -0.13441E-04 8928 0.281E-02 0.230E-02 DAV: 6 -0.677124162892E+03 -0.18773E-05 -0.23841E-05 7936 0.902E-03 155 F= -.69063928E+03 E0= -.69063928E+03 d E =-.840656E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677129703343E+03 -0.55423E-02 -0.15577E+00 7040 0.235E+00 0.430E-01 DAV: 2 -0.677132454053E+03 -0.27507E-02 -0.34583E-02 8384 0.341E-01 0.173E-01 DAV: 3 -0.677132261884E+03 0.19217E-03 -0.81334E-04 9248 0.601E-02 0.100E-01 DAV: 4 -0.677132230099E+03 0.31785E-04 -0.42501E-04 8672 0.453E-02 0.337E-02 DAV: 5 -0.677132232671E+03 -0.25723E-05 -0.64722E-05 8800 0.195E-02 156 F= -.69064558E+03 E0= -.69064558E+03 d E =-.629912E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677131864497E+03 0.36560E-03 -0.47859E+00 7040 0.411E+00 0.756E-01 DAV: 2 -0.677140335797E+03 -0.84713E-02 -0.10605E-01 8352 0.597E-01 0.305E-01 DAV: 3 -0.677139741094E+03 0.59470E-03 -0.24727E-03 9280 0.105E-01 0.176E-01 DAV: 4 -0.677139648707E+03 0.92387E-04 -0.13237E-03 8640 0.797E-02 0.592E-02 DAV: 5 -0.677139658511E+03 -0.98035E-05 -0.20378E-04 9248 0.345E-02 0.309E-02 DAV: 6 -0.677139659043E+03 -0.53226E-06 -0.57718E-05 8416 0.150E-02 157 F= -.69064979E+03 E0= -.69064979E+03 d E =-.105110E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.677146119692E+03 -0.64612E-02 -0.16834E+00 7040 0.244E+00 0.443E-01 DAV: 2 -0.677149039029E+03 -0.29193E-02 -0.37571E-02 8384 0.355E-01 0.222E-01 DAV: 3 -0.677148825331E+03 0.21370E-03 -0.91911E-04 9280 0.656E-02 0.129E-01 DAV: 4 -0.677148794492E+03 0.30840E-04 -0.49988E-04 8672 0.486E-02 0.362E-02 DAV: 5 -0.677148797881E+03 -0.33899E-05 -0.82645E-05 8736 0.211E-02 158 F= -.69065556E+03 E0= -.69065556E+03 d E =-.576608E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677151666288E+03 -0.28718E-02 -0.13261E+00 7040 0.217E+00 0.394E-01 DAV: 2 -0.677153988260E+03 -0.23220E-02 -0.29767E-02 8448 0.316E-01 0.197E-01 DAV: 3 -0.677153821560E+03 0.16670E-03 -0.70299E-04 9280 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N E dE d eps ncg rms rms(c) DAV: 1 -0.677165112947E+03 -0.35505E-02 -0.18176E-01 7104 0.795E-01 0.158E-01 DAV: 2 -0.677165390399E+03 -0.27745E-03 -0.38573E-03 8608 0.114E-01 0.619E-02 DAV: 3 -0.677165359111E+03 0.31288E-04 -0.11596E-04 8896 0.223E-02 0.382E-02 DAV: 4 -0.677165351201E+03 0.79100E-05 -0.53269E-05 8672 0.159E-02 164 F= -.69066565E+03 E0= -.69066565E+03 d E =-.232272E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677171908039E+03 -0.65489E-02 -0.16359E+00 7104 0.238E+00 0.490E-01 DAV: 2 -0.677174484482E+03 -0.25764E-02 -0.35074E-02 8544 0.342E-01 0.181E-01 DAV: 3 -0.677174223287E+03 0.26120E-03 -0.99901E-04 9024 0.657E-02 0.109E-01 DAV: 4 -0.677174168843E+03 0.54443E-04 -0.48544E-04 8672 0.473E-02 0.356E-02 DAV: 5 -0.677174171125E+03 -0.22818E-05 -0.70172E-05 8896 0.204E-02 165 F= -.69067005E+03 E0= -.69067005E+03 d E =-.672193E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677171144946E+03 0.30239E-02 -0.65454E+00 7104 0.477E+00 0.976E-01 DAV: 2 -0.677181643613E+03 -0.10499E-01 -0.14076E-01 8544 0.684E-01 0.362E-01 DAV: 3 -0.677180583156E+03 0.10605E-02 -0.38755E-03 9056 0.130E-01 0.218E-01 DAV: 4 -0.677180366105E+03 0.21705E-03 -0.19332E-03 8672 0.940E-02 0.698E-02 DAV: 5 -0.677180380576E+03 -0.14471E-04 -0.27882E-04 8864 0.405E-02 0.402E-02 DAV: 6 -0.677180378989E+03 0.15869E-05 -0.11016E-04 8416 0.221E-02 0.288E-02 DAV: 7 -0.677180376624E+03 0.23652E-05 -0.80095E-06 5888 0.672E-03 166 F= -.69066730E+03 E0= -.69066730E+03 d E =-.397474E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677173569866E+03 0.68091E-02 -0.30631E+00 7104 0.326E+00 0.664E-01 DAV: 2 -0.677178371375E+03 -0.48015E-02 -0.65770E-02 8608 0.467E-01 0.247E-01 DAV: 3 -0.677177858947E+03 0.51243E-03 -0.17979E-03 9024 0.884E-02 0.149E-01 DAV: 4 -0.677177753570E+03 0.10538E-03 -0.90113E-04 8672 0.642E-02 0.472E-02 DAV: 5 -0.677177764393E+03 -0.10824E-04 -0.12939E-04 8928 0.275E-02 0.275E-02 DAV: 6 -0.677177767704E+03 -0.33110E-05 -0.51115E-05 8128 0.151E-02 167 F= -.69067083E+03 E0= -.69067083E+03 d E =-.751036E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677181602524E+03 -0.38381E-02 -0.45678E-01 7104 0.124E+00 0.318E-01 DAV: 2 -0.677182459681E+03 -0.85716E-03 -0.10600E-02 8864 0.185E-01 0.184E-01 DAV: 3 -0.677182358340E+03 0.10134E-03 -0.29417E-04 9280 0.389E-02 0.101E-01 DAV: 4 -0.677182349808E+03 0.85319E-05 -0.16742E-04 8864 0.270E-02 0.188E-02 DAV: 5 -0.677182349770E+03 0.37995E-07 -0.28895E-05 8032 0.115E-02 168 F= -.69067425E+03 E0= -.69067425E+03 d E =-.341365E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677184355460E+03 -0.20057E-02 -0.13132E+00 7040 0.211E+00 0.539E-01 DAV: 2 -0.677186880770E+03 -0.25253E-02 -0.30827E-02 8864 0.315E-01 0.309E-01 DAV: 3 -0.677186607329E+03 0.27344E-03 -0.82749E-04 9280 0.654E-02 0.170E-01 DAV: 4 -0.677186586962E+03 0.20367E-04 -0.47052E-04 8864 0.457E-02 0.319E-02 DAV: 5 -0.677186587993E+03 -0.10313E-05 -0.84986E-05 8800 0.197E-02 169 F= -.69067649E+03 E0= -.69067649E+03 d E =-.565410E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677187416867E+03 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0.162E-01 DAV: 2 -0.677582893900E+03 -0.33184E-03 -0.42842E-03 8800 0.118E-01 0.942E-02 DAV: 3 -0.677582862166E+03 0.31734E-04 -0.12733E-04 9280 0.254E-02 0.555E-02 DAV: 4 -0.677582858460E+03 0.37061E-05 -0.63960E-05 8640 0.178E-02 286 F= -.69093691E+03 E0= -.69093691E+03 d E =-.585037E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.677582751383E+03 0.11078E-03 -0.90433E-03 7680 0.175E-01 0.381E-02 DAV: 2 -0.677582767482E+03 -0.16099E-04 -0.21570E-04 8960 0.265E-02 0.223E-02 DAV: 3 -0.677582766258E+03 0.12236E-05 -0.57652E-06 5312 0.589E-03 287 F= -.69093694E+03 E0= -.69093694E+03 d E =-.615888E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.677583048263E+03 -0.28078E-03 -0.10071E-01 7040 0.586E-01 0.125E-01 DAV: 2 -0.677583243523E+03 -0.19526E-03 -0.22904E-03 8640 0.862E-02 0.536E-02 DAV: 3 -0.677583228703E+03 0.14820E-04 -0.48113E-05 9248 0.153E-02 0.286E-02 DAV: 4 -0.677583228371E+03 0.33248E-06 -0.29211E-05 8064 0.112E-02 288 F= -.69093731E+03 E0= -.69093731E+03 d E =-.369710E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.677583291248E+03 -0.62545E-04 -0.25917E-02 7232 0.297E-01 0.651E-02 DAV: 2 -0.677583343031E+03 -0.51782E-04 -0.60685E-04 8672 0.442E-02 0.281E-02 DAV: 3 -0.677583339072E+03 0.39591E-05 -0.11581E-05 6432 0.816E-03 289 F= -.69093737E+03 E0= -.69093737E+03 d E =-.433111E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.677583803992E+03 -0.46096E-03 -0.60362E-02 7040 0.451E-01 0.688E-02 DAV: 2 -0.677583910463E+03 -0.10647E-03 -0.12532E-03 8608 0.633E-02 0.356E-02 DAV: 3 -0.677583903882E+03 0.65806E-05 -0.23558E-05 8064 0.107E-02 290 F= -.69093773E+03 E0= -.69093773E+03 d E =-.356267E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.677584270732E+03 -0.36027E-03 -0.54518E-01 7040 0.136E+00 0.206E-01 DAV: 2 -0.677585239656E+03 -0.96892E-03 -0.11348E-02 8608 0.191E-01 0.108E-01 DAV: 3 -0.677585175383E+03 0.64273E-04 -0.21243E-04 9248 0.321E-02 0.652E-02 DAV: 4 -0.677585173049E+03 0.23342E-05 -0.16223E-04 8608 0.268E-02 0.173E-02 DAV: 5 -0.677585174901E+03 -0.18517E-05 -0.24407E-05 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