N E dE d eps ncg rms rms(c) DAV: 1 0.680308027803E+03 0.68031E+03 -0.27069E+04 200 0.686E+02 DAV: 2 0.374443210386E+02 -0.64286E+03 -0.60138E+03 240 0.158E+02 DAV: 3 -0.232269796704E+03 -0.26971E+03 -0.26459E+03 200 0.985E+01 DAV: 4 -0.264020267947E+03 -0.31750E+02 -0.31445E+02 192 0.408E+01 DAV: 5 -0.265080051936E+03 -0.10598E+01 -0.10547E+01 200 0.706E+00 0.281E+01 DAV: 6 -0.241707796386E+03 0.23372E+02 -0.53055E+01 200 0.193E+01 0.140E+01 DAV: 7 -0.238237991108E+03 0.34698E+01 -0.99111E+00 200 0.925E+00 0.700E+00 DAV: 8 -0.237333371374E+03 0.90462E+00 -0.12515E+00 200 0.367E+00 0.242E+00 DAV: 9 -0.237103469357E+03 0.22990E+00 -0.35645E-01 208 0.209E+00 0.784E-01 DAV: 10 -0.237075723387E+03 0.27746E-01 -0.43869E-02 192 0.811E-01 0.406E-01 DAV: 11 -0.237048692935E+03 0.27030E-01 -0.38086E-02 192 0.586E-01 0.282E-01 DAV: 12 -0.237041860698E+03 0.68322E-02 -0.97943E-03 224 0.454E-01 0.148E-01 DAV: 13 -0.237040033461E+03 0.18272E-02 -0.12272E-02 176 0.370E-01 0.135E-01 DAV: 14 -0.237046902615E+03 -0.68692E-02 -0.37683E-03 184 0.210E-01 0.693E-02 DAV: 15 -0.237056302580E+03 -0.94000E-02 -0.17245E-03 176 0.123E-01 0.514E-02 DAV: 16 -0.237065431633E+03 -0.91291E-02 -0.89892E-04 192 0.819E-02 0.287E-02 DAV: 17 -0.237071884679E+03 -0.64530E-02 -0.67991E-04 184 0.671E-02 0.207E-02 DAV: 18 -0.237075478552E+03 -0.35939E-02 -0.34063E-04 176 0.429E-02 0.113E-02 DAV: 19 -0.237076582008E+03 -0.11035E-02 -0.97696E-05 200 0.243E-02 0.699E-03 DAV: 20 -0.237077305823E+03 -0.72381E-03 -0.47579E-05 136 0.142E-02 0.306E-03 DAV: 21 -0.237077534134E+03 -0.22831E-03 -0.11652E-05 136 0.742E-03 0.221E-03 DAV: 22 -0.237077714429E+03 -0.18029E-03 -0.86123E-06 120 0.676E-03 0.177E-03 DAV: 23 -0.237077759755E+03 -0.45326E-04 -0.24470E-06 144 0.377E-03 0.120E-03 DAV: 24 -0.237077796640E+03 -0.36885E-04 -0.21425E-06 120 0.397E-03 0.131E-03 DAV: 25 -0.237077806205E+03 -0.95645E-05 -0.77471E-07 144 0.236E-03 1 F= -.23707781E+03 E0= -.23708167E+03 d E =-.237078E+03 N E dE d eps ncg rms rms(c) DAV: 1 -0.210735156424E+03 0.26343E+02 -0.24670E+03 152 0.159E+02 0.367E+01 DAV: 2 -0.238042073282E+03 -0.27307E+02 -0.28733E+02 188 0.465E+01 0.152E+01 DAV: 3 -0.234814358008E+03 0.32277E+01 -0.12023E+01 200 0.117E+01 0.971E+00 DAV: 4 -0.234134956006E+03 0.67940E+00 -0.64306E+00 184 0.927E+00 0.396E+00 DAV: 5 -0.234162750688E+03 -0.27795E-01 -0.53416E-01 208 0.323E+00 0.302E+00 DAV: 6 -0.234131863338E+03 0.30887E-01 -0.15078E-01 184 0.141E+00 0.892E-01 DAV: 7 -0.234119763722E+03 0.12100E-01 -0.99808E-02 200 0.125E+00 0.256E-01 DAV: 8 -0.234121218163E+03 -0.14544E-02 -0.13802E-02 176 0.391E-01 0.210E-01 DAV: 9 -0.234121820427E+03 -0.60226E-03 -0.72194E-04 176 0.130E-01 0.145E-01 DAV: 10 -0.234122427445E+03 -0.60702E-03 -0.26463E-03 184 0.222E-01 0.338E-02 DAV: 11 -0.234123300612E+03 -0.87317E-03 -0.57052E-04 184 0.927E-02 0.283E-02 DAV: 12 -0.234123927334E+03 -0.62672E-03 -0.98557E-05 184 0.391E-02 0.212E-02 DAV: 13 -0.234124845863E+03 -0.91853E-03 -0.18904E-04 176 0.561E-02 0.177E-02 DAV: 14 -0.234125198652E+03 -0.35279E-03 -0.82172E-05 184 0.363E-02 0.663E-03 DAV: 15 -0.234125402395E+03 -0.20374E-03 -0.33568E-05 184 0.187E-02 0.915E-03 DAV: 16 -0.234125593183E+03 -0.19079E-03 -0.12220E-05 128 0.128E-02 0.383E-03 DAV: 17 -0.234125711146E+03 -0.11796E-03 -0.14733E-05 136 0.107E-02 0.295E-03 DAV: 18 -0.234125767757E+03 -0.56611E-04 -0.28289E-06 128 0.547E-03 0.124E-03 DAV: 19 -0.234125798577E+03 -0.30820E-04 -0.23732E-06 128 0.408E-03 0.145E-03 DAV: 20 -0.234125810881E+03 -0.12304E-04 -0.58872E-07 128 0.266E-03 0.663E-04 DAV: 21 -0.234125821095E+03 -0.10214E-04 -0.73928E-07 128 0.231E-03 0.775E-04 DAV: 22 -0.234125823399E+03 -0.23038E-05 -0.16102E-07 144 0.163E-03 2 F= -.23412582E+03 E0= -.23412970E+03 d E =0.295198E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.235231093420E+03 -0.11053E+01 -0.98731E+02 152 0.108E+02 0.177E+01 DAV: 2 -0.241906166754E+03 -0.66751E+01 -0.82719E+01 184 0.236E+01 0.984E+00 DAV: 3 -0.241051314899E+03 0.85485E+00 -0.29768E+00 200 0.627E+00 0.780E+00 DAV: 4 -0.240779745872E+03 0.27157E+00 -0.31290E+00 192 0.577E+00 0.368E+00 DAV: 5 -0.240784228244E+03 -0.44824E-02 -0.31934E-01 200 0.229E+00 0.265E+00 DAV: 6 -0.240763990414E+03 0.20238E-01 -0.14796E-01 184 0.134E+00 0.698E-01 DAV: 7 -0.240755592724E+03 0.83977E-02 -0.86228E-02 192 0.115E+00 0.274E-01 DAV: 8 -0.240757168761E+03 -0.15760E-02 -0.14847E-02 184 0.421E-01 0.223E-01 DAV: 9 -0.240757146100E+03 0.22661E-04 -0.67755E-04 192 0.107E-01 0.158E-01 DAV: 10 -0.240757381758E+03 -0.23566E-03 -0.26924E-03 168 0.203E-01 0.351E-02 DAV: 11 -0.240757763164E+03 -0.38141E-03 -0.34875E-04 184 0.718E-02 0.318E-02 DAV: 12 -0.240758274985E+03 -0.51182E-03 -0.62479E-05 172 0.364E-02 0.245E-02 DAV: 13 -0.240758805085E+03 -0.53010E-03 -0.81770E-05 192 0.441E-02 0.187E-02 DAV: 14 -0.240759124593E+03 -0.31951E-03 -0.11276E-04 184 0.385E-02 0.117E-02 DAV: 15 -0.240759325854E+03 -0.20126E-03 -0.12174E-05 128 0.136E-02 0.732E-03 DAV: 16 -0.240759468371E+03 -0.14252E-03 -0.11007E-05 136 0.928E-03 0.316E-03 DAV: 17 -0.240759578136E+03 -0.10977E-03 -0.59573E-06 120 0.628E-03 0.233E-03 DAV: 18 -0.240759620308E+03 -0.42172E-04 -0.29372E-06 144 0.409E-03 0.170E-03 DAV: 19 -0.240759645974E+03 -0.25666E-04 -0.14445E-06 120 0.338E-03 0.112E-03 DAV: 20 -0.240759660378E+03 -0.14404E-04 -0.76310E-07 128 0.194E-03 0.778E-04 DAV: 21 -0.240759667995E+03 -0.76174E-05 -0.39768E-07 120 0.162E-03 3 F= -.24075967E+03 E0= -.24076353E+03 d E =-.368186E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.237936527057E+03 0.28231E+01 -0.64036E+02 152 0.921E+01 0.980E+00 DAV: 2 -0.240321721395E+03 -0.23852E+01 -0.27584E+01 184 0.156E+01 0.516E+00 DAV: 3 -0.240063551669E+03 0.25817E+00 -0.10370E+00 208 0.394E+00 0.350E+00 DAV: 4 -0.239986811576E+03 0.76740E-01 -0.24859E-01 184 0.200E+00 0.151E+00 DAV: 5 -0.239976216180E+03 0.10595E-01 -0.75898E-02 200 0.116E+00 0.368E-01 DAV: 6 -0.239978399311E+03 -0.21831E-02 -0.24393E-02 168 0.567E-01 0.223E-01 DAV: 7 -0.239978310492E+03 0.88819E-04 -0.17302E-03 192 0.157E-01 0.126E-01 DAV: 8 -0.239978797898E+03 -0.48741E-03 -0.10103E-03 160 0.125E-01 0.415E-02 DAV: 9 -0.239979482916E+03 -0.68502E-03 -0.38200E-04 200 0.978E-02 0.265E-02 DAV: 10 -0.239980177461E+03 -0.69454E-03 -0.23160E-04 168 0.627E-02 0.220E-02 DAV: 11 -0.239981313786E+03 -0.11363E-02 -0.25427E-04 168 0.684E-02 0.221E-02 DAV: 12 -0.239981881831E+03 -0.56804E-03 -0.12884E-04 200 0.502E-02 0.138E-02 DAV: 13 -0.239982134321E+03 -0.25249E-03 -0.94308E-05 184 0.358E-02 0.912E-03 DAV: 14 -0.239982368823E+03 -0.23450E-03 -0.11933E-05 120 0.112E-02 0.775E-03 DAV: 15 -0.239982560680E+03 -0.19186E-03 -0.14019E-05 136 0.102E-02 0.356E-03 DAV: 16 -0.239982647078E+03 -0.86398E-04 -0.51763E-06 136 0.721E-03 0.135E-03 DAV: 17 -0.239982700519E+03 -0.53441E-04 -0.23895E-06 120 0.419E-03 0.133E-03 DAV: 18 -0.239982720977E+03 -0.20458E-04 -0.80828E-07 144 0.221E-03 0.110E-03 DAV: 19 -0.239982738602E+03 -0.17625E-04 -0.83237E-07 120 0.273E-03 0.561E-04 DAV: 20 -0.239982742466E+03 -0.38639E-05 -0.21851E-07 152 0.139E-03 4 F= -.23998274E+03 E0= -.23998661E+03 d E =0.776926E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.241356179187E+03 -0.13734E+01 -0.18353E+02 156 0.488E+01 0.464E+00 DAV: 2 -0.241856178498E+03 -0.50000E+00 -0.73208E+00 184 0.838E+00 0.239E+00 DAV: 3 -0.241813184697E+03 0.42994E-01 -0.27987E-01 200 0.179E+00 0.178E+00 DAV: 4 -0.241793254204E+03 0.19930E-01 -0.12693E-01 192 0.131E+00 0.724E-01 DAV: 5 -0.241790953064E+03 0.23011E-02 -0.22591E-02 192 0.649E-01 0.269E-01 DAV: 6 -0.241791455089E+03 -0.50202E-03 -0.13549E-02 176 0.422E-01 0.140E-01 DAV: 7 -0.241791610591E+03 -0.15550E-03 -0.14078E-03 184 0.143E-01 0.591E-02 DAV: 8 -0.241791978497E+03 -0.36791E-03 -0.51559E-04 192 0.810E-02 0.310E-02 DAV: 9 -0.241792260999E+03 -0.28250E-03 -0.16115E-04 208 0.613E-02 0.156E-02 DAV: 10 -0.241792604809E+03 -0.34381E-03 -0.82661E-05 192 0.404E-02 0.141E-02 DAV: 11 -0.241793002639E+03 -0.39783E-03 -0.58891E-05 176 0.362E-02 0.604E-03 DAV: 12 -0.241793270321E+03 -0.26768E-03 -0.60606E-05 184 0.301E-02 0.422E-03 DAV: 13 -0.241793379357E+03 -0.10904E-03 -0.13597E-05 136 0.135E-02 0.294E-03 DAV: 14 -0.241793466303E+03 -0.86945E-04 -0.63768E-06 128 0.682E-03 0.233E-03 DAV: 15 -0.241793510561E+03 -0.44258E-04 -0.23818E-06 136 0.423E-03 0.138E-03 DAV: 16 -0.241793551080E+03 -0.40520E-04 -0.35118E-06 128 0.545E-03 0.161E-03 DAV: 17 -0.241793560259E+03 -0.91782E-05 -0.75709E-07 144 0.306E-03 5 F= -.24179356E+03 E0= -.24179743E+03 d E =-.103389E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.241775807896E+03 0.17743E-01 -0.21820E+02 152 0.529E+01 0.378E+00 DAV: 2 -0.242325567663E+03 -0.54976E+00 -0.64425E+00 192 0.766E+00 0.206E+00 DAV: 3 -0.242277196911E+03 0.48371E-01 -0.16492E-01 208 0.158E+00 0.130E+00 DAV: 4 -0.242265581348E+03 0.11616E-01 -0.10572E-01 184 0.128E+00 0.423E-01 DAV: 5 -0.242268044511E+03 -0.24632E-02 -0.22746E-02 184 0.531E-01 0.229E-01 DAV: 6 -0.242268434633E+03 -0.39012E-03 -0.45715E-03 176 0.240E-01 0.110E-01 DAV: 7 -0.242268353575E+03 0.81058E-04 -0.66245E-04 208 0.122E-01 0.585E-02 DAV: 8 -0.242268529030E+03 -0.17545E-03 -0.45089E-04 184 0.857E-02 0.340E-02 DAV: 9 -0.242268649782E+03 -0.12075E-03 -0.13576E-04 216 0.496E-02 0.133E-02 DAV: 10 -0.242268860250E+03 -0.21047E-03 -0.51955E-05 160 0.279E-02 0.106E-02 DAV: 11 -0.242269148229E+03 -0.28798E-03 -0.32679E-05 144 0.305E-02 0.978E-03 DAV: 12 -0.242269374903E+03 -0.22667E-03 -0.48822E-05 176 0.284E-02 0.511E-03 DAV: 13 -0.242269465739E+03 -0.90836E-04 -0.94401E-06 144 0.123E-02 0.290E-03 DAV: 14 -0.242269571607E+03 -0.10587E-03 -0.63705E-06 120 0.680E-03 0.244E-03 DAV: 15 -0.242269615150E+03 -0.43544E-04 -0.17951E-06 144 0.433E-03 0.131E-03 DAV: 16 -0.242269657929E+03 -0.42779E-04 -0.30555E-06 116 0.521E-03 0.246E-03 DAV: 17 -0.242269673134E+03 -0.15204E-04 -0.94684E-07 144 0.367E-03 0.105E-03 DAV: 18 -0.242269681450E+03 -0.83159E-05 -0.10484E-06 120 0.311E-03 6 F= -.24226968E+03 E0= -.24227355E+03 d E =-.476121E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.242281782488E+03 -0.12109E-01 -0.82786E+00 152 0.104E+01 0.672E-01 DAV: 2 -0.242298552345E+03 -0.16770E-01 -0.20381E-01 184 0.141E+00 0.405E-01 DAV: 3 -0.242296653236E+03 0.18991E-02 -0.57496E-03 200 0.322E-01 0.242E-01 DAV: 4 -0.242296817346E+03 -0.16411E-03 -0.46532E-03 176 0.263E-01 0.818E-02 DAV: 5 -0.242296916661E+03 -0.99315E-04 -0.86148E-04 192 0.116E-01 0.437E-02 DAV: 6 -0.242296957870E+03 -0.41210E-04 -0.16605E-04 176 0.461E-02 0.200E-02 DAV: 7 -0.242296965315E+03 -0.74444E-05 -0.27129E-05 168 0.222E-02 7 F= -.24229697E+03 E0= -.24230083E+03 d E =-.503405E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.242319271213E+03 -0.22313E-01 -0.13958E+02 152 0.436E+01 0.273E+00 DAV: 2 -0.242622928091E+03 -0.30366E+00 -0.36875E+00 176 0.596E+00 0.168E+00 DAV: 3 -0.242598092543E+03 0.24836E-01 -0.13160E-01 216 0.131E+00 0.106E+00 DAV: 4 -0.242592523146E+03 0.55694E-02 -0.43313E-02 160 0.819E-01 0.352E-01 DAV: 5 -0.242594393741E+03 -0.18706E-02 -0.11955E-02 192 0.393E-01 0.154E-01 DAV: 6 -0.242594580738E+03 -0.18700E-03 -0.17459E-03 176 0.154E-01 0.862E-02 DAV: 7 -0.242594642677E+03 -0.61939E-04 -0.48108E-04 192 0.937E-02 0.403E-02 DAV: 8 -0.242594804072E+03 -0.16140E-03 -0.15985E-04 176 0.524E-02 0.160E-02 DAV: 9 -0.242594958704E+03 -0.15463E-03 -0.49077E-05 184 0.313E-02 0.101E-02 DAV: 10 -0.242595230907E+03 -0.27220E-03 -0.35899E-05 152 0.355E-02 0.693E-03 DAV: 11 -0.242595422630E+03 -0.19172E-03 -0.53587E-05 184 0.323E-02 0.614E-03 DAV: 12 -0.242595568220E+03 -0.14559E-03 -0.30161E-05 152 0.227E-02 0.436E-03 DAV: 13 -0.242595625563E+03 -0.57344E-04 -0.54731E-06 144 0.934E-03 0.245E-03 DAV: 14 -0.242595684144E+03 -0.58580E-04 -0.41102E-06 120 0.652E-03 0.174E-03 DAV: 15 -0.242595715814E+03 -0.31670E-04 -0.18925E-06 136 0.421E-03 0.134E-03 DAV: 16 -0.242595737363E+03 -0.21550E-04 -0.17871E-06 120 0.462E-03 0.105E-03 DAV: 17 -0.242595745378E+03 -0.80143E-05 -0.67143E-07 136 0.232E-03