N E dE d eps ncg rms rms(c) DAV: 1 0.600289372675E+04 0.60029E+04 -0.27409E+05 1408 0.163E+03 DAV: 2 0.255040034337E+03 -0.57479E+04 -0.55576E+04 1952 0.356E+02 DAV: 3 -0.721238405832E+03 -0.97628E+03 -0.97264E+03 1728 0.148E+02 DAV: 4 -0.747495093623E+03 -0.26257E+02 -0.26173E+02 1792 0.277E+01 DAV: 5 -0.748647455243E+03 -0.11524E+01 -0.11518E+01 2304 0.419E+00 0.127E+02 DAV: 6 -0.658213914366E+03 0.90434E+02 -0.38561E+02 1728 0.299E+01 0.785E+01 DAV: 7 -0.651565954503E+03 0.66480E+01 -0.26403E+01 1792 0.905E+00 0.126E+01 DAV: 8 -0.649558034865E+03 0.20079E+01 -0.26054E+00 1728 0.324E+00 0.445E+00 DAV: 9 -0.649568757093E+03 -0.10722E-01 -0.14063E+01 1696 0.198E+00 0.130E+01 DAV: 10 -0.648759831355E+03 0.80893E+00 -0.16466E+00 1824 0.969E-01 0.839E+00 DAV: 11 -0.648630547303E+03 0.12928E+00 -0.50696E+00 1856 0.943E-01 0.653E+00 DAV: 12 -0.648703298224E+03 -0.72751E-01 -0.32731E+00 1792 0.116E+00 0.324E+00 DAV: 13 -0.648623715513E+03 0.79583E-01 -0.49215E-01 1920 0.867E-01 0.206E+00 DAV: 14 -0.648496048519E+03 0.12767E+00 -0.13236E-01 1664 0.678E-01 0.172E+00 DAV: 15 -0.648505616698E+03 -0.95682E-02 -0.69652E-02 1600 0.405E-01 0.116E+00 DAV: 16 -0.648538929527E+03 -0.33313E-01 -0.10731E-01 1664 0.320E-01 0.403E+00 DAV: 17 -0.648502946973E+03 0.35983E-01 -0.74582E-02 1696 0.213E-01 0.921E-01 DAV: 18 -0.648510332440E+03 -0.73855E-02 -0.81692E-02 1792 0.176E-01 0.649E-01 DAV: 19 -0.648518769241E+03 -0.84368E-02 -0.15130E-02 1568 0.158E-01 0.373E-01 DAV: 20 -0.648522872034E+03 -0.41028E-02 -0.41381E-03 1568 0.873E-02 0.285E-01 DAV: 21 -0.648525466600E+03 -0.25946E-02 -0.31052E-03 1632 0.648E-02 0.362E-01 DAV: 22 -0.648527144418E+03 -0.16778E-02 -0.79303E-03 1440 0.545E-02 0.249E-01 DAV: 23 -0.648527723508E+03 -0.57909E-03 -0.17647E-03 1312 0.462E-02 0.695E-02 DAV: 24 -0.648528326095E+03 -0.60259E-03 -0.54267E-04 1120 0.234E-02 0.107E-01 DAV: 25 -0.648529413645E+03 -0.10875E-02 -0.19248E-04 1088 0.177E-02 0.116E-01 DAV: 26 -0.648529840219E+03 -0.42657E-03 -0.21179E-04 1088 0.137E-02 0.503E-02 DAV: 27 -0.648530263407E+03 -0.42319E-03 -0.89625E-05 1088 0.114E-02 0.306E-02 DAV: 28 -0.648530562408E+03 -0.29900E-03 -0.66513E-05 1056 0.659E-03 0.214E-02 DAV: 29 -0.648530917898E+03 -0.35549E-03 -0.18433E-05 1024 0.445E-03 0.108E-02 DAV: 30 -0.648531004769E+03 -0.86871E-04 -0.12868E-05 1088 0.318E-03 1 F= -.65814348E+03 E0= -.65809718E+03 d E =-.658143E+03 N E dE d eps ncg rms rms(c) DAV: 1 -0.626534711999E+03 0.21996E+02 -0.24619E+03 1440 0.886E+01 0.129E+02 DAV: 2 -0.636539106428E+03 -0.10004E+02 -0.13451E+02 1696 0.175E+01 0.298E+01 DAV: 3 -0.634560179833E+03 0.19789E+01 -0.42523E+00 1696 0.455E+00 0.245E+01 DAV: 4 -0.633440622491E+03 0.11196E+01 -0.25857E+00 1664 0.388E+00 0.597E+00 DAV: 5 -0.633458968577E+03 -0.18346E-01 -0.81630E-01 1696 0.165E+00 0.180E+00 DAV: 6 -0.633449906759E+03 0.90618E-02 -0.59559E-02 1728 0.457E-01 0.950E-01 DAV: 7 -0.633454252747E+03 -0.43460E-02 -0.22238E-02 1568 0.299E-01 0.550E-01 DAV: 8 -0.633462055513E+03 -0.78028E-02 -0.13459E-02 1600 0.231E-01 0.186E-01 DAV: 9 -0.633467122628E+03 -0.50671E-02 -0.52978E-03 1760 0.151E-01 0.189E-01 DAV: 10 -0.633469515322E+03 -0.23927E-02 -0.68802E-04 1600 0.527E-02 0.149E-01 DAV: 11 -0.633473733193E+03 -0.42179E-02 -0.79519E-04 1408 0.497E-02 0.839E-02 DAV: 12 -0.633478765248E+03 -0.50321E-02 -0.15291E-03 1504 0.704E-02 0.387E-02 DAV: 13 -0.633480450107E+03 -0.16849E-02 -0.41377E-04 1440 0.325E-02 0.225E-02 DAV: 14 -0.633481058076E+03 -0.60797E-03 -0.40317E-05 1120 0.977E-03 0.235E-02 DAV: 15 -0.633481928694E+03 -0.87062E-03 -0.99560E-05 1248 0.106E-02 0.106E-02 DAV: 16 -0.633482403516E+03 -0.47482E-03 -0.34757E-05 1120 0.703E-03 0.452E-03 DAV: 17 -0.633482599211E+03 -0.19569E-03 -0.14267E-05 1088 0.450E-03 0.371E-03 DAV: 18 -0.633482742604E+03 -0.14339E-03 -0.88983E-06 1088 0.334E-03 0.206E-03 DAV: 19 -0.633482819026E+03 -0.76422E-04 -0.64828E-06 1088 0.283E-03 2 F= -.64312687E+03 E0= -.64312687E+03 d E =0.150166E+02 N E dE d eps ncg rms rms(c) DAV: 1 -0.649265493257E+03 -0.15783E+02 -0.11692E+03 1408 0.616E+01 0.475E+01 DAV: 2 -0.652689894401E+03 -0.34244E+01 -0.53467E+01 1664 0.121E+01 0.276E+01 DAV: 3 -0.651960260529E+03 0.72963E+00 -0.18317E+00 1824 0.254E+00 0.228E+01 DAV: 4 -0.651326335298E+03 0.63393E+00 -0.26190E+00 1600 0.330E+00 0.443E+00 DAV: 5 -0.651185489257E+03 0.14085E+00 -0.86044E-01 1792 0.190E+00 0.407E+00 DAV: 6 -0.651172178620E+03 0.13311E-01 -0.74415E-01 1728 0.768E-01 0.248E+00 DAV: 7 -0.651155740879E+03 0.16438E-01 -0.82427E-02 1632 0.521E-01 0.266E+00 DAV: 8 -0.651146503580E+03 0.92373E-02 -0.18770E-01 1728 0.314E-01 0.187E+00 DAV: 9 -0.651145714827E+03 0.78875E-03 -0.16207E-02 1536 0.238E-01 0.124E+00 DAV: 10 -0.651145235538E+03 0.47929E-03 -0.43887E-02 1728 0.237E-01 0.336E-01 DAV: 11 -0.651146836977E+03 -0.16014E-02 -0.69198E-03 1664 0.136E-01 0.347E-01 DAV: 12 -0.651147366756E+03 -0.52978E-03 -0.14471E-03 1536 0.561E-02 0.262E-01 DAV: 13 -0.651148092586E+03 -0.72583E-03 -0.92133E-04 1312 0.412E-02 0.919E-02 DAV: 14 -0.651149953124E+03 -0.18605E-02 -0.76433E-04 1376 0.707E-02 0.461E-02 DAV: 15 -0.651150470179E+03 -0.51706E-03 -0.38093E-04 1472 0.332E-02 0.384E-02 DAV: 16 -0.651150766319E+03 -0.29614E-03 -0.57608E-05 1024 0.118E-02 0.253E-02 DAV: 17 -0.651151223881E+03 -0.45756E-03 -0.36284E-05 1024 0.103E-02 0.230E-02 DAV: 18 -0.651151471265E+03 -0.24738E-03 -0.40720E-05 1056 0.814E-03 0.998E-03 DAV: 19 -0.651151550414E+03 -0.79149E-04 -0.15442E-05 1056 0.483E-03 3 F= -.66077795E+03 E0= -.66075616E+03 d E =-.263447E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.651832929693E+03 -0.68146E+00 -0.65645E+02 1408 0.468E+01 0.164E+01 DAV: 2 -0.653729072315E+03 -0.18961E+01 -0.24315E+01 1728 0.792E+00 0.859E+00 DAV: 3 -0.653352585873E+03 0.37649E+00 -0.12003E+00 1664 0.242E+00 0.507E+00 DAV: 4 -0.653314498721E+03 0.38087E-01 -0.68215E-01 1696 0.165E+00 0.147E+00 DAV: 5 -0.653312120190E+03 0.23785E-02 -0.13663E-01 1632 0.764E-01 0.687E-01 DAV: 6 -0.653316937444E+03 -0.48173E-02 -0.29668E-02 1568 0.289E-01 0.326E-01 DAV: 7 -0.653319572927E+03 -0.26355E-02 -0.51473E-03 1856 0.187E-01 0.191E-01 DAV: 8 -0.653323847865E+03 -0.42749E-02 -0.28888E-03 1664 0.111E-01 0.976E-02 DAV: 9 -0.653326208311E+03 -0.23604E-02 -0.10814E-03 1760 0.610E-02 0.481E-02 DAV: 10 -0.653329516115E+03 -0.33078E-02 -0.10465E-03 1472 0.587E-02 0.411E-02 DAV: 11 -0.653332001971E+03 -0.24859E-02 -0.10614E-03 1472 0.577E-02 0.297E-02 DAV: 12 -0.653333071905E+03 -0.10699E-02 -0.37450E-04 1408 0.317E-02 0.142E-02 DAV: 13 -0.653333374699E+03 -0.30279E-03 -0.28807E-05 1120 0.972E-03 0.973E-03 DAV: 14 -0.653333591852E+03 -0.21715E-03 -0.31435E-05 1088 0.706E-03 0.582E-03 DAV: 15 -0.653333698209E+03 -0.10636E-03 -0.13815E-05 1120 0.438E-03 0.438E-03 DAV: 16 -0.653333768431E+03 -0.70222E-04 -0.10234E-05 1088 0.451E-03 4 F= -.66308456E+03 E0= -.66308456E+03 d E =-.230661E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.653538548406E+03 -0.20485E+00 -0.31465E+01 1408 0.103E+01 0.402E+00 DAV: 2 -0.653601870895E+03 -0.63322E-01 -0.90320E-01 1728 0.163E+00 0.147E+00 DAV: 3 -0.653584222449E+03 0.17648E-01 -0.55826E-02 1696 0.542E-01 0.521E-01 DAV: 4 -0.653581112583E+03 0.31099E-02 -0.15526E-02 1728 0.246E-01 0.253E-01 DAV: 5 -0.653580286623E+03 0.82596E-03 -0.17025E-03 1664 0.865E-02 0.139E-01 DAV: 6 -0.653579555192E+03 0.73143E-03 -0.10470E-03 1600 0.756E-02 0.471E-02 DAV: 7 -0.653579539433E+03 0.15759E-04 -0.40528E-04 1440 0.463E-02 5 F= -.66330498E+03 E0= -.66330498E+03 d E =-.252703E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.654508387497E+03 -0.92883E+00 -0.22585E+02 1408 0.279E+01 0.130E+01 DAV: 2 -0.655275866834E+03 -0.76748E+00 -0.90449E+00 1664 0.509E+00 0.536E+00 DAV: 3 -0.655210883113E+03 0.64984E-01 -0.35954E-01 1696 0.125E+00 0.310E+00 DAV: 4 -0.655216319728E+03 -0.54366E-02 -0.15153E-01 1632 0.842E-01 0.936E-01 DAV: 5 -0.655227825479E+03 -0.11506E-01 -0.37333E-02 1632 0.412E-01 0.387E-01 DAV: 6 -0.655232423682E+03 -0.45982E-02 -0.93616E-03 1600 0.175E-01 0.181E-01 DAV: 7 -0.655235020847E+03 -0.25972E-02 -0.20189E-03 1760 0.973E-02 0.991E-02 DAV: 8 -0.655237578128E+03 -0.25573E-02 -0.11128E-03 1600 0.591E-02 0.386E-02 DAV: 9 -0.655238903628E+03 -0.13255E-02 -0.48865E-04 1568 0.358E-02 0.384E-02 DAV: 10 -0.655239976448E+03 -0.10728E-02 -0.28648E-04 1376 0.288E-02 0.216E-02 DAV: 11 -0.655240933941E+03 -0.95749E-03 -0.44594E-04 1408 0.321E-02 0.132E-02 DAV: 12 -0.655241139728E+03 -0.20579E-03 -0.76067E-05 1120 0.150E-02 0.117E-02 DAV: 13 -0.655241197386E+03 -0.57658E-04 -0.25684E-05 1056 0.709E-03 6 F= -.66500106E+03 E0= -.66500106E+03 d E =-.169608E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.655258626505E+03 -0.17487E-01 -0.23222E+00 1600 0.283E+00 0.118E+00 DAV: 2 -0.655265663052E+03 -0.70365E-02 -0.87881E-02 1600 0.508E-01 0.491E-01 DAV: 3 -0.655264646832E+03 0.10162E-02 -0.38895E-03 1664 0.132E-01 0.210E-01 DAV: 4 -0.655264372331E+03 0.27450E-03 -0.10955E-03 1696 0.736E-02 0.758E-02 DAV: 5 -0.655264382006E+03 -0.96756E-05 -0.24379E-04 1472 0.332E-02 7 F= -.66502271E+03 E0= -.66502271E+03 d E =-.171774E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.655943294475E+03 -0.67892E+00 -0.31440E+02 1408 0.326E+01 0.171E+01 DAV: 2 -0.656666861353E+03 -0.72357E+00 -0.92575E+00 1664 0.513E+00 0.555E+00 DAV: 3 -0.656558782824E+03 0.10808E+00 -0.39653E-01 1664 0.126E+00 0.215E+00 DAV: 4 -0.656551589702E+03 0.71931E-02 -0.13941E-01 1632 0.697E-01 0.618E-01 DAV: 5 -0.656553586704E+03 -0.19970E-02 -0.23116E-02 1760 0.282E-01 0.431E-01 DAV: 6 -0.656554915504E+03 -0.13288E-02 -0.44943E-03 1568 0.123E-01 0.152E-01 DAV: 7 -0.656555849647E+03 -0.93414E-03 -0.10172E-03 1824 0.763E-02 0.618E-02 DAV: 8 -0.656556709695E+03 -0.86005E-03 -0.42270E-04 1536 0.391E-02 0.405E-02 DAV: 9 -0.656557425438E+03 -0.71574E-03 -0.19599E-04 1312 0.296E-02 0.209E-02 DAV: 10 -0.656557842680E+03 -0.41724E-03 -0.76273E-05 1088 0.186E-02 0.152E-02 DAV: 11 -0.656558344134E+03 -0.50145E-03 -0.14674E-04 1248 0.214E-02 0.983E-03 DAV: 12 -0.656558601009E+03 -0.25688E-03 -0.52683E-05 1056 0.138E-02 0.676E-03 DAV: 13 -0.656558718140E+03 -0.11713E-03 -0.28856E-05 1088 0.836E-03 0.572E-03 DAV: 14 -0.656558785268E+03 -0.67128E-04 -0.10233E-05 1056 0.472E-03 8 F= -.66629261E+03 E0= -.66629261E+03 d E =-.126990E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.656558738539E+03 -0.20400E-04 -0.27263E-03 1600 0.954E-02 0.452E-02 DAV: 2 -0.656558750209E+03 -0.11669E-04 -0.79269E-05 1344 0.154E-02 9 F= -.66629267E+03 E0= -.66629267E+03 d E =-.126996E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.656811879242E+03 -0.25314E+00 -0.81935E+01 1408 0.168E+01 0.693E+00 DAV: 2 -0.656995604139E+03 -0.18372E+00 -0.23608E+00 1632 0.267E+00 0.228E+00 DAV: 3 -0.656965655903E+03 0.29948E-01 -0.96397E-02 1664 0.623E-01 0.870E-01 DAV: 4 -0.656959560856E+03 0.60950E-02 -0.25884E-02 1600 0.334E-01 0.331E-01 DAV: 5 -0.656959207684E+03 0.35317E-03 -0.55319E-03 1760 0.158E-01 0.156E-01 DAV: 6 -0.656959416749E+03 -0.20906E-03 -0.92683E-04 1600 0.594E-02 0.708E-02 DAV: 7 -0.656959776166E+03 -0.35942E-03 -0.24447E-04 1376 0.394E-02 0.275E-02 DAV: 8 -0.656960170374E+03 -0.39421E-03 -0.13840E-04 1152 0.265E-02 0.176E-02 DAV: 9 -0.656960542391E+03 -0.37202E-03 -0.75744E-05 1056 0.182E-02 0.986E-03 DAV: 10 -0.656960828439E+03 -0.28605E-03 -0.49930E-05 1088 0.140E-02 0.692E-03 DAV: 11 -0.656961069453E+03 -0.24101E-03 -0.39732E-05 1056 0.115E-02 0.372E-03 DAV: 12 -0.656961191406E+03 -0.12195E-03 -0.23122E-05 1056 0.770E-03 0.308E-03 DAV: 13 -0.656961229558E+03 -0.38152E-04 -0.72169E-06 1152 0.430E-03 10 F= -.66669320E+03 E0= -.66669320E+03 d E =-.400526E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.656961390185E+03 -0.19878E-03 -0.26752E-02 1568 0.304E-01 0.114E-01 DAV: 2 -0.656961459592E+03 -0.69407E-04 -0.79424E-04 1696 0.486E-02 11 F= -.66669338E+03 E0= -.66669338E+03 d E =-.400712E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.657216334373E+03 -0.25494E+00 -0.59819E+01 1408 0.144E+01 0.386E+00 DAV: 2 -0.657346619836E+03 -0.13029E+00 -0.15254E+00 1632 0.217E+00 0.140E+00 DAV: 3 -0.657333718954E+03 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-0.12952E-03 1600 0.616E-02 0.654E-02 DAV: 7 -0.658200501665E+03 -0.96136E-04 -0.14114E-04 1184 0.303E-02 16 F= -.66793525E+03 E0= -.66793525E+03 d E =-.741909E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.658439926520E+03 -0.23952E+00 -0.48241E+01 1408 0.129E+01 0.300E+00 DAV: 2 -0.658540309146E+03 -0.10038E+00 -0.11527E+00 1664 0.190E+00 0.103E+00 DAV: 3 -0.658531893175E+03 0.84160E-02 -0.32657E-02 1760 0.367E-01 0.460E-01 DAV: 4 -0.658529619892E+03 0.22733E-02 -0.11998E-02 1632 0.233E-01 0.189E-01 DAV: 5 -0.658529671265E+03 -0.51373E-04 -0.21605E-03 1728 0.103E-01 0.920E-02 DAV: 6 -0.658529858137E+03 -0.18687E-03 -0.54006E-04 1600 0.428E-02 0.487E-02 DAV: 7 -0.658530065093E+03 -0.20696E-03 -0.69727E-05 1088 0.263E-02 0.219E-02 DAV: 8 -0.658530297142E+03 -0.23205E-03 -0.11859E-04 1152 0.224E-02 0.128E-02 DAV: 9 -0.658530441282E+03 -0.14414E-03 -0.29725E-05 1088 0.120E-02 0.817E-03 DAV: 10 -0.658530570125E+03 -0.12884E-03 -0.19877E-05 1120 0.827E-03 0.655E-03 DAV: 11 -0.658530677512E+03 -0.10739E-03 -0.14696E-05 1088 0.719E-03 0.370E-03 DAV: 12 -0.658530761978E+03 -0.84466E-04 -0.13728E-05 1088 0.669E-03 17 F= -.66825571E+03 E0= -.66825571E+03 d E =-.320459E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.658523972000E+03 0.67055E-02 -0.12590E+02 1408 0.209E+01 0.490E+00 DAV: 2 -0.658791646574E+03 -0.26767E+00 -0.30500E+00 1664 0.308E+00 0.170E+00 DAV: 3 -0.658769134033E+03 0.22513E-01 -0.88082E-02 1728 0.601E-01 0.755E-01 DAV: 4 -0.658763006423E+03 0.61276E-02 -0.31070E-02 1600 0.375E-01 0.300E-01 DAV: 5 -0.658762892534E+03 0.11389E-03 -0.55421E-03 1696 0.164E-01 0.149E-01 DAV: 6 -0.658763109289E+03 -0.21676E-03 -0.12249E-03 1600 0.647E-02 0.795E-02 DAV: 7 -0.658763390176E+03 -0.28089E-03 -0.18072E-04 1184 0.408E-02 0.341E-02 DAV: 8 -0.658763733961E+03 -0.34379E-03 -0.26931E-04 1344 0.337E-02 0.205E-02 DAV: 9 -0.658763941054E+03 -0.20709E-03 -0.60487E-05 1088 0.182E-02 0.121E-02 DAV: 10 -0.658764091863E+03 -0.15081E-03 -0.26846E-05 1088 0.938E-03 0.864E-03 DAV: 11 -0.658764337390E+03 -0.24553E-03 -0.41308E-05 1088 0.134E-02 0.531E-03 DAV: 12 -0.658764402606E+03 -0.65216E-04 -0.20986E-05 1152 0.707E-03 18 F= -.66847261E+03 E0= -.66847261E+03 d E =-.537358E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.659005855301E+03 -0.24152E+00 -0.52739E+01 1408 0.134E+01 0.376E+00 DAV: 2 -0.659116877525E+03 -0.11102E+00 -0.13220E+00 1664 0.203E+00 0.159E+00 DAV: 3 -0.659106074630E+03 0.10803E-01 -0.43662E-02 1728 0.413E-01 0.737E-01 DAV: 4 -0.659103596326E+03 0.24783E-02 -0.19130E-02 1568 0.270E-01 0.235E-01 DAV: 5 -0.659103588356E+03 0.79699E-05 -0.30529E-03 1632 0.119E-01 0.137E-01 DAV: 6 -0.659103773767E+03 -0.18541E-03 -0.94727E-04 1600 0.545E-02 0.616E-02 DAV: 7 -0.659103892359E+03 -0.11859E-03 -0.11851E-04 1152 0.292E-02 0.371E-02 DAV: 8 -0.659104081565E+03 -0.18921E-03 -0.12511E-04 1152 0.233E-02 0.169E-02 DAV: 9 -0.659104180977E+03 -0.99412E-04 -0.28066E-05 1088 0.119E-02 19 F= -.66879903E+03 E0= -.66879903E+03 d E =-.326419E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.659073749514E+03 0.30332E-01 -0.10386E+02 1408 0.189E+01 0.535E+00 DAV: 2 -0.659295544986E+03 -0.22180E+00 -0.26073E+00 1664 0.286E+00 0.227E+00 DAV: 3 -0.659274181336E+03 0.21364E-01 -0.87143E-02 1728 0.586E-01 0.108E+00 DAV: 4 -0.659269555529E+03 0.46258E-02 -0.38784E-02 1568 0.391E-01 0.318E-01 DAV: 5 -0.659269675568E+03 -0.12004E-03 -0.66127E-03 1696 0.173E-01 0.192E-01 DAV: 6 -0.659270033227E+03 -0.35766E-03 -0.18394E-03 1568 0.751E-02 0.920E-02 DAV: 7 -0.659270263261E+03 -0.23003E-03 -0.25385E-04 1472 0.412E-02 0.535E-02 DAV: 8 -0.659270585645E+03 -0.32238E-03 -0.17163E-04 1216 0.287E-02 0.233E-02 DAV: 9 -0.659270847227E+03 -0.26158E-03 -0.61250E-05 1088 0.164E-02 0.105E-02 DAV: 10 -0.659270992258E+03 -0.14503E-03 -0.24546E-05 1088 0.892E-03 0.827E-03 DAV: 11 -0.659271153168E+03 -0.16091E-03 -0.20756E-05 1088 0.844E-03 0.580E-03 DAV: 12 -0.659271312704E+03 -0.15954E-03 -0.32876E-05 1088 0.980E-03 0.345E-03 DAV: 13 -0.659271364915E+03 -0.52211E-04 -0.11528E-05 1152 0.583E-03 20 F= -.66894715E+03 E0= -.66894715E+03 d E =-.474537E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.659366436267E+03 -0.95124E-01 -0.61275E+01 1408 0.145E+01 0.385E+00 DAV: 2 -0.659498727541E+03 -0.13229E+00 -0.14959E+00 1632 0.214E+00 0.127E+00 DAV: 3 -0.659486083645E+03 0.12644E-01 -0.41379E-02 1664 0.427E-01 0.588E-01 DAV: 4 -0.659482807996E+03 0.32756E-02 -0.16864E-02 1632 0.280E-01 0.205E-01 DAV: 5 -0.659482962638E+03 -0.15464E-03 -0.35571E-03 1696 0.124E-01 0.121E-01 DAV: 6 -0.659483181384E+03 -0.21875E-03 -0.47792E-04 1632 0.419E-02 0.600E-02 DAV: 7 -0.659483535715E+03 -0.35433E-03 -0.12756E-04 1088 0.296E-02 0.267E-02 DAV: 8 -0.659483944674E+03 -0.40896E-03 -0.16667E-04 1280 0.269E-02 0.138E-02 DAV: 9 -0.659484260095E+03 -0.31542E-03 -0.55009E-05 1088 0.166E-02 0.984E-03 DAV: 10 -0.659484513557E+03 -0.25346E-03 -0.36888E-05 1088 0.103E-02 0.735E-03 DAV: 11 -0.659484719433E+03 -0.20588E-03 -0.26913E-05 1088 0.935E-03 0.485E-03 DAV: 12 -0.659484833095E+03 -0.11366E-03 -0.17588E-05 1152 0.663E-03 0.304E-03 DAV: 13 -0.659484878069E+03 -0.44974E-04 -0.61650E-06 1088 0.372E-03 21 F= -.66915650E+03 E0= -.66915650E+03 d E =-.209357E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.659485524006E+03 -0.69091E-03 -0.13298E+01 1472 0.674E+00 0.175E+00 DAV: 2 -0.659513411076E+03 -0.27887E-01 -0.32074E-01 1600 0.990E-01 0.611E-01 DAV: 3 -0.659510568637E+03 0.28424E-02 -0.88292E-03 1728 0.195E-01 0.298E-01 DAV: 4 -0.659509708054E+03 0.86058E-03 -0.37930E-03 1600 0.134E-01 0.100E-01 DAV: 5 -0.659509747902E+03 -0.39848E-04 -0.82319E-04 1664 0.600E-02 22 F= -.66917930E+03 E0= -.66917930E+03 d E =-.232155E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.659668181716E+03 -0.15847E+00 -0.61173E+01 1408 0.144E+01 0.349E+00 DAV: 2 -0.659798435642E+03 -0.13025E+00 -0.14989E+00 1664 0.210E+00 0.150E+00 DAV: 3 -0.659786223387E+03 0.12212E-01 -0.38509E-02 1728 0.403E-01 0.995E-01 DAV: 4 -0.659782141254E+03 0.40821E-02 -0.33256E-02 1600 0.391E-01 0.212E-01 DAV: 5 -0.659782579522E+03 -0.43827E-03 -0.75033E-03 1632 0.173E-01 0.167E-01 DAV: 6 -0.659782863039E+03 -0.28352E-03 -0.17308E-03 1600 0.671E-02 0.968E-02 DAV: 7 -0.659783163715E+03 -0.30068E-03 -0.29916E-04 1600 0.394E-02 0.667E-02 DAV: 8 -0.659783642691E+03 -0.47898E-03 -0.15591E-04 1248 0.262E-02 0.293E-02 DAV: 9 -0.659783837150E+03 -0.19446E-03 -0.74723E-05 1152 0.167E-02 0.117E-02 DAV: 10 -0.659784105143E+03 -0.26799E-03 -0.50354E-05 1056 0.134E-02 0.891E-03 DAV: 11 -0.659784344898E+03 -0.23975E-03 -0.55576E-05 1088 0.128E-02 0.988E-03 DAV: 12 -0.659784419406E+03 -0.74508E-04 -0.18832E-05 1120 0.759E-03 23 F= -.66945171E+03 E0= -.66945171E+03 d E =-.272407E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.659774038148E+03 0.10307E-01 -0.50681E+01 1408 0.131E+01 0.311E+00 DAV: 2 -0.659881027565E+03 -0.10699E+00 -0.12410E+00 1664 0.192E+00 0.132E+00 DAV: 3 -0.659870529356E+03 0.10498E-01 -0.32265E-02 1728 0.369E-01 0.819E-01 DAV: 4 -0.659866990854E+03 0.35385E-02 -0.26317E-02 1568 0.342E-01 0.195E-01 DAV: 5 -0.659867209401E+03 -0.21855E-03 -0.57207E-03 1664 0.151E-01 0.145E-01 DAV: 6 -0.659867364680E+03 -0.15528E-03 -0.13065E-03 1600 0.587E-02 0.797E-02 DAV: 7 -0.659867559462E+03 -0.19478E-03 -0.19738E-04 1440 0.327E-02 0.525E-02 DAV: 8 -0.659867877552E+03 -0.31809E-03 -0.10846E-04 1088 0.225E-02 0.208E-02 DAV: 9 -0.659868018803E+03 -0.14125E-03 -0.54149E-05 1088 0.144E-02 0.909E-03 DAV: 10 -0.659868173505E+03 -0.15470E-03 -0.29799E-05 1088 0.107E-02 0.746E-03 DAV: 11 -0.659868342381E+03 -0.16888E-03 -0.34903E-05 1088 0.105E-02 0.740E-03 DAV: 12 -0.659868402324E+03 -0.59943E-04 -0.14265E-05 1120 0.676E-03 24 F= -.66953365E+03 E0= -.66953365E+03 d E =-.354343E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.659955741986E+03 -0.87400E-01 -0.64227E+01 1408 0.147E+01 0.355E+00 DAV: 2 -0.660090359241E+03 -0.13462E+00 -0.15961E+00 1664 0.221E+00 0.163E+00 DAV: 3 -0.660076671227E+03 0.13688E-01 -0.48356E-02 1792 0.446E-01 0.939E-01 DAV: 4 -0.660073155400E+03 0.35158E-02 -0.28839E-02 1632 0.342E-01 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dE d eps ncg rms rms(c) DAV: 1 -0.661049172084E+03 -0.11992E+00 -0.50806E+01 1408 0.129E+01 0.276E+00 DAV: 2 -0.661154538593E+03 -0.10537E+00 -0.12030E+00 1664 0.193E+00 0.139E+00 DAV: 3 -0.661146383591E+03 0.81550E-02 -0.31878E-02 1728 0.360E-01 0.836E-01 DAV: 4 -0.661144433029E+03 0.19506E-02 -0.20227E-02 1600 0.279E-01 0.208E-01 DAV: 5 -0.661144552312E+03 -0.11928E-03 -0.41048E-03 1728 0.133E-01 0.105E-01 DAV: 6 -0.661144718032E+03 -0.16572E-03 -0.60736E-04 1536 0.411E-02 0.589E-02 DAV: 7 -0.661144844426E+03 -0.12639E-03 -0.73843E-05 1088 0.211E-02 0.309E-02 DAV: 8 -0.661145033452E+03 -0.18903E-03 -0.77738E-05 1088 0.173E-02 0.107E-02 DAV: 9 -0.661145114643E+03 -0.81191E-04 -0.18909E-05 1152 0.945E-03 33 F= -.67077495E+03 E0= -.67077495E+03 d E =-.217766E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.660849135697E+03 0.29590E+00 -0.22178E+02 1408 0.270E+01 0.558E+00 DAV: 2 -0.661341096678E+03 -0.49196E+00 -0.56077E+00 1664 0.411E+00 0.294E+00 DAV: 3 -0.661305565857E+03 0.35531E-01 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dE d eps ncg rms rms(c) DAV: 1 -0.661619978593E+03 -0.38901E-01 -0.11842E+02 1408 0.196E+01 0.311E+00 DAV: 2 -0.661863343471E+03 -0.24336E+00 -0.27466E+00 1664 0.288E+00 0.153E+00 DAV: 3 -0.661846526768E+03 0.16817E-01 -0.65298E-02 1792 0.504E-01 0.879E-01 DAV: 4 -0.661840713989E+03 0.58128E-02 -0.40169E-02 1664 0.397E-01 0.279E-01 DAV: 5 -0.661841038902E+03 -0.32491E-03 -0.71334E-03 1696 0.179E-01 0.146E-01 DAV: 6 -0.661841221208E+03 -0.18231E-03 -0.13587E-03 1568 0.664E-02 0.813E-02 DAV: 7 -0.661841363732E+03 -0.14252E-03 -0.16554E-04 1280 0.349E-02 0.421E-02 DAV: 8 -0.661841557573E+03 -0.19384E-03 -0.13388E-04 1216 0.259E-02 0.176E-02 DAV: 9 -0.661841685866E+03 -0.12829E-03 -0.48485E-05 1120 0.167E-02 0.834E-03 DAV: 10 -0.661841773460E+03 -0.87594E-04 -0.17961E-05 1152 0.897E-03 37 F= -.67145774E+03 E0= -.67145774E+03 d E =-.247684E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.661416423362E+03 0.42526E+00 -0.28134E+02 1408 0.302E+01 0.487E+00 DAV: 2 -0.662027089695E+03 -0.61067E+00 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1664 0.125E+00 0.713E-01 DAV: 3 -0.663783570580E+03 0.29366E-02 -0.11439E-02 1824 0.227E-01 0.389E-01 DAV: 4 -0.663782760979E+03 0.80960E-03 -0.61442E-03 1728 0.160E-01 0.138E-01 DAV: 5 -0.663782771658E+03 -0.10679E-04 -0.11040E-03 1792 0.764E-02 0.656E-02 DAV: 6 -0.663782804127E+03 -0.32469E-04 -0.19574E-04 1440 0.276E-02 47 F= -.67323985E+03 E0= -.67323985E+03 d E =-.148846E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.663733107191E+03 0.49664E-01 -0.85202E+01 1408 0.170E+01 0.387E+00 DAV: 2 -0.663941156461E+03 -0.20805E+00 -0.23247E+00 1664 0.269E+00 0.154E+00 DAV: 3 -0.663927091598E+03 0.14065E-01 -0.54465E-02 1824 0.496E-01 0.841E-01 DAV: 4 -0.663923334093E+03 0.37575E-02 -0.29225E-02 1632 0.351E-01 0.292E-01 DAV: 5 -0.663923389274E+03 -0.55181E-04 -0.54146E-03 1792 0.170E-01 0.140E-01 DAV: 6 -0.663923536005E+03 -0.14673E-03 -0.10066E-03 1632 0.601E-02 0.757E-02 DAV: 7 -0.663923635222E+03 -0.99217E-04 -0.11722E-04 1216 0.302E-02 48 F= -.67336472E+03 E0= -.67336472E+03 d E =-.273717E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.664041854623E+03 -0.11832E+00 -0.33364E+01 1408 0.106E+01 0.237E+00 DAV: 2 -0.664118130386E+03 -0.76276E-01 -0.87081E-01 1664 0.165E+00 0.992E-01 DAV: 3 -0.664112492567E+03 0.56378E-02 -0.22038E-02 1856 0.307E-01 0.537E-01 DAV: 4 -0.664110763069E+03 0.17295E-02 -0.14228E-02 1696 0.248E-01 0.186E-01 DAV: 5 -0.664110795833E+03 -0.32764E-04 -0.24341E-03 1696 0.109E-01 0.107E-01 DAV: 6 -0.664110865488E+03 -0.69655E-04 -0.73598E-04 1632 0.512E-02 49 F= -.67354369E+03 E0= -.67354369E+03 d E =-.178961E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.664113527930E+03 -0.27321E-02 -0.48319E+01 1408 0.128E+01 0.293E+00 DAV: 2 -0.664224568451E+03 -0.11104E+00 -0.12654E+00 1664 0.199E+00 0.120E+00 DAV: 3 -0.664216309321E+03 0.82591E-02 -0.32211E-02 1856 0.371E-01 0.655E-01 DAV: 4 -0.664213657685E+03 0.26516E-02 -0.20928E-02 1696 0.301E-01 0.224E-01 DAV: 5 -0.664213669495E+03 -0.11809E-04 -0.35987E-03 1728 0.134E-01 0.130E-01 DAV: 6 -0.664213738703E+03 -0.69209E-04 -0.11095E-03 1664 0.635E-02 0.636E-02 DAV: 7 -0.664213833899E+03 -0.95196E-04 -0.98151E-05 1152 0.305E-02 50 F= -.67363752E+03 E0= -.67363752E+03 d E =-.272799E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.664301943655E+03 -0.88205E-01 -0.11513E+01 1408 0.635E+00 0.217E+00 DAV: 2 -0.664330897851E+03 -0.28954E-01 -0.35414E-01 1728 0.105E+00 0.806E-01 DAV: 3 -0.664327685943E+03 0.32119E-02 -0.98121E-03 1856 0.211E-01 0.435E-01 DAV: 4 -0.664326939167E+03 0.74678E-03 -0.52814E-03 1664 0.159E-01 0.113E-01 DAV: 5 -0.664326968779E+03 -0.29612E-04 -0.11290E-03 1728 0.763E-02 0.737E-02 DAV: 6 -0.664326995693E+03 -0.26914E-04 -0.22249E-04 1472 0.286E-02 51 F= -.67374915E+03 E0= -.67374915E+03 d E =-.111623E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.664339329227E+03 -0.12360E-01 -0.71809E+00 1408 0.501E+00 0.170E+00 DAV: 2 -0.664357403311E+03 -0.18074E-01 -0.22138E-01 1728 0.831E-01 0.617E-01 DAV: 3 -0.664355389432E+03 0.20139E-02 -0.60368E-03 1856 0.166E-01 0.316E-01 DAV: 4 -0.664354916530E+03 0.47290E-03 -0.31374E-03 1696 0.123E-01 0.859E-02 DAV: 5 -0.664354920027E+03 -0.34965E-05 -0.66310E-04 1728 0.584E-02 52 F= -.67377587E+03 E0= -.67377587E+03 d E =-.138348E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.664434864447E+03 -0.79948E-01 -0.92232E+00 1408 0.560E+00 0.119E+00 DAV: 2 -0.664456536555E+03 -0.21672E-01 -0.24970E-01 1728 0.879E-01 0.627E-01 DAV: 3 -0.664455007465E+03 0.15291E-02 -0.56724E-03 1856 0.156E-01 0.381E-01 DAV: 4 -0.664454614998E+03 0.39247E-03 -0.50022E-03 1632 0.140E-01 0.975E-02 DAV: 5 -0.664454602846E+03 0.12153E-04 -0.91358E-04 1728 0.645E-02 53 F= -.67387463E+03 E0= -.67387463E+03 d E =-.987543E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.664404880855E+03 0.49734E-01 -0.82905E+01 1408 0.168E+01 0.352E+00 DAV: 2 -0.664603686625E+03 -0.19881E+00 -0.22939E+00 1728 0.266E+00 0.191E+00 DAV: 3 -0.664589682090E+03 0.14005E-01 -0.52091E-02 1856 0.472E-01 0.119E+00 DAV: 4 -0.664585269226E+03 0.44129E-02 -0.47275E-02 1664 0.430E-01 0.313E-01 DAV: 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=-.852726E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.665261742982E+03 -0.28996E-02 -0.86632E+00 1408 0.560E+00 0.115E+00 DAV: 2 -0.665280830546E+03 -0.19088E-01 -0.21868E-01 1664 0.848E-01 0.567E-01 DAV: 3 -0.665279468910E+03 0.13616E-02 -0.58750E-03 1856 0.163E-01 0.315E-01 DAV: 4 -0.665279150373E+03 0.31854E-03 -0.35063E-03 1664 0.126E-01 0.913E-02 DAV: 5 -0.665279124097E+03 0.26276E-04 -0.69705E-04 1856 0.621E-02 64 F= -.67465416E+03 E0= -.67465416E+03 d E =-.102651E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.665351469795E+03 -0.72319E-01 -0.22373E+01 1408 0.892E+00 0.141E+00 DAV: 2 -0.665398230728E+03 -0.46761E-01 -0.54447E-01 1664 0.135E+00 0.719E-01 DAV: 3 -0.665395783034E+03 0.24477E-02 -0.15434E-02 1856 0.250E-01 0.426E-01 DAV: 4 -0.665394675694E+03 0.11073E-02 -0.82921E-03 1632 0.191E-01 0.177E-01 DAV: 5 -0.665394559942E+03 0.11575E-03 -0.15433E-03 1856 0.961E-02 0.750E-02 DAV: 6 -0.665394560323E+03 -0.38103E-06 -0.45351E-04 1536 0.427E-02 65 F= -.67476186E+03 E0= -.67476186E+03 d E =-.107692E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.665315087098E+03 0.79473E-01 -0.99483E+01 1408 0.188E+01 0.302E+00 DAV: 2 -0.665525155410E+03 -0.21007E+00 -0.24450E+00 1664 0.285E+00 0.150E+00 DAV: 3 -0.665513902979E+03 0.11252E-01 -0.70408E-02 1888 0.533E-01 0.876E-01 DAV: 4 -0.665508960522E+03 0.49425E-02 -0.35947E-02 1632 0.393E-01 0.367E-01 DAV: 5 -0.665508421499E+03 0.53902E-03 -0.66741E-03 1920 0.195E-01 0.153E-01 DAV: 6 -0.665508382220E+03 0.39279E-04 -0.16930E-03 1664 0.817E-02 0.761E-02 DAV: 7 -0.665508330308E+03 0.51912E-04 -0.18609E-04 1472 0.384E-02 66 F= -.67485846E+03 E0= -.67485846E+03 d E =-.204295E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.665558856313E+03 -0.50474E-01 -0.10727E+01 1408 0.616E+00 0.120E+00 DAV: 2 -0.665582107357E+03 -0.23251E-01 -0.26130E-01 1664 0.925E-01 0.543E-01 DAV: 3 -0.665580716393E+03 0.13910E-02 -0.69401E-03 1856 0.169E-01 0.306E-01 DAV: 4 -0.665580287330E+03 0.42906E-03 -0.44931E-03 1632 0.142E-01 0.104E-01 DAV: 5 -0.665580296842E+03 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0.366E-02 150 F= -.67730225E+03 E0= -.67730225E+03 d E =-.237913E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.668020217974E+03 0.20307E-01 -0.13238E+01 1408 0.665E+00 0.119E+00 DAV: 2 -0.668049910788E+03 -0.29693E-01 -0.34033E-01 1664 0.993E-01 0.624E-01 DAV: 3 -0.668047989979E+03 0.19208E-02 -0.90766E-03 1792 0.200E-01 0.373E-01 DAV: 4 -0.668047754318E+03 0.23566E-03 -0.93499E-03 1600 0.185E-01 0.150E-01 DAV: 5 -0.668047617210E+03 0.13711E-03 -0.17028E-03 1888 0.866E-02 0.777E-02 DAV: 6 -0.668047691231E+03 -0.74021E-04 -0.54104E-04 1568 0.416E-02 151 F= -.67731402E+03 E0= -.67731402E+03 d E =-.355531E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.668058804210E+03 -0.11187E-01 -0.65775E+00 1408 0.477E+00 0.824E-01 DAV: 2 -0.668072750258E+03 -0.13946E-01 -0.16479E-01 1664 0.716E-01 0.375E-01 DAV: 3 -0.668071797720E+03 0.95254E-03 -0.49706E-03 1824 0.149E-01 0.222E-01 DAV: 4 -0.668071599709E+03 0.19801E-03 -0.37930E-03 1664 0.126E-01 0.963E-02 DAV: 5 -0.668071570295E+03 0.29414E-04 -0.63452E-04 1856 0.570E-02 152 F= -.67733974E+03 E0= -.67733974E+03 d E =-.257281E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.668070324182E+03 0.12755E-02 -0.28855E+00 1408 0.316E+00 0.551E-01 DAV: 2 -0.668076500405E+03 -0.61762E-02 -0.72916E-02 1664 0.475E-01 0.250E-01 DAV: 3 -0.668076063933E+03 0.43647E-03 -0.21656E-03 1824 0.100E-01 0.145E-01 DAV: 4 -0.668075993571E+03 0.70362E-04 -0.17628E-03 1632 0.846E-02 0.652E-02 DAV: 5 -0.668075974426E+03 0.19144E-04 -0.29791E-04 1664 0.392E-02 153 F= -.67734537E+03 E0= -.67734537E+03 d E =-.313562E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.668081045608E+03 -0.50520E-02 -0.53859E+00 1408 0.435E+00 0.871E-01 DAV: 2 -0.668092279372E+03 -0.11234E-01 -0.13336E-01 1696 0.651E-01 0.371E-01 DAV: 3 -0.668091452469E+03 0.82690E-03 -0.38037E-03 1888 0.131E-01 0.208E-01 DAV: 4 -0.668091272178E+03 0.18029E-03 -0.26489E-03 1600 0.103E-01 0.887E-02 DAV: 5 -0.668091245082E+03 0.27096E-04 -0.39218E-04 1664 0.474E-02 154 F= -.67736286E+03 E0= -.67736286E+03 d E =-.174832E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.668086109179E+03 0.51630E-02 -0.39988E+00 1408 0.374E+00 0.755E-01 DAV: 2 -0.668094444567E+03 -0.83354E-02 -0.98976E-02 1696 0.560E-01 0.322E-01 DAV: 3 -0.668093833619E+03 0.61095E-03 -0.27918E-03 1888 0.112E-01 0.181E-01 DAV: 4 -0.668093708556E+03 0.12506E-03 -0.19851E-03 1632 0.885E-02 0.772E-02 DAV: 5 -0.668093692711E+03 0.15845E-04 -0.30021E-04 1632 0.414E-02 155 F= -.67736721E+03 E0= -.67736721E+03 d E =-.218395E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.668096499651E+03 -0.27911E-02 -0.62734E+00 1408 0.465E+00 0.702E-01 DAV: 2 -0.668109567129E+03 -0.13067E-01 -0.14715E-01 1664 0.678E-01 0.370E-01 DAV: 3 -0.668108800430E+03 0.76670E-03 -0.36928E-03 1824 0.130E-01 0.219E-01 DAV: 4 -0.668108675699E+03 0.12473E-03 -0.32655E-03 1600 0.118E-01 0.827E-02 DAV: 5 -0.668108653451E+03 0.22248E-04 -0.57655E-04 1728 0.531E-02 156 F= -.67738465E+03 E0= -.67738465E+03 d E =-.174372E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.668100424507E+03 0.82512E-02 -0.58191E+00 1408 0.448E+00 0.680E-01 DAV: 2 -0.668112617032E+03 -0.12193E-01 -0.13746E-01 1664 0.655E-01 0.359E-01 DAV: 3 -0.668111910698E+03 0.70633E-03 -0.34615E-03 1824 0.126E-01 0.212E-01 DAV: 4 -0.668111808934E+03 0.10176E-03 -0.30992E-03 1664 0.115E-01 0.811E-02 DAV: 5 -0.668111787779E+03 0.21154E-04 -0.55277E-04 1728 0.521E-02 157 F= -.67739016E+03 E0= -.67739016E+03 d E =-.229465E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.668116617687E+03 -0.48088E-02 -0.43814E+00 1408 0.383E+00 0.605E-01 DAV: 2 -0.668125778544E+03 -0.91609E-02 -0.10297E-01 1600 0.564E-01 0.287E-01 DAV: 3 -0.668125321964E+03 0.45658E-03 -0.25180E-03 1792 0.105E-01 0.166E-01 DAV: 4 -0.668125279960E+03 0.42003E-04 -0.18606E-03 1664 0.875E-02 0.649E-02 DAV: 5 -0.668125285951E+03 -0.59906E-05 -0.29219E-04 1664 0.398E-02 158 F= -.67740725E+03 E0= -.67740725E+03 d E =-.170879E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.668067570131E+03 0.57710E-01 -0.34455E+01 1408 0.107E+01 0.171E+00 DAV: 2 -0.668140041995E+03 -0.72472E-01 -0.81580E-01 1664 0.159E+00 0.818E-01 DAV: 3 -0.668136046865E+03 0.39951E-02 -0.20284E-02 1760 0.296E-01 0.472E-01 DAV: 4 -0.668135218503E+03 0.82836E-03 -0.14626E-02 1696 0.245E-01 0.185E-01 DAV: 5 -0.668135132954E+03 0.85549E-04 -0.22946E-03 1792 0.111E-01 0.919E-02 DAV: 6 -0.668135236614E+03 -0.10366E-03 -0.80676E-04 1632 0.538E-02 0.373E-02 DAV: 7 -0.668135269803E+03 -0.33189E-04 -0.64237E-05 1152 0.205E-02 159 F= -.67742723E+03 E0= -.67742723E+03 d E =-.370735E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.668140717610E+03 -0.54810E-02 -0.26086E+00 1408 0.298E+00 0.473E-01 DAV: 2 -0.668146027402E+03 -0.53098E-02 -0.60018E-02 1632 0.434E-01 0.217E-01 DAV: 3 -0.668145777320E+03 0.25008E-03 -0.15298E-03 1824 0.782E-02 0.132E-01 DAV: 4 -0.668145737681E+03 0.39639E-04 -0.11570E-03 1632 0.708E-02 0.488E-02 DAV: 5 -0.668145743968E+03 -0.62865E-05 -0.17014E-04 1376 0.311E-02 160 F= -.67744067E+03 E0= -.67744067E+03 d E =-.134369E-01 N E dE d eps ncg rms rms(c) DAV: 1 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DAV: 7 -0.668127283758E+03 -0.11840E-03 -0.26028E-04 1536 0.390E-02 0.467E-02 DAV: 8 -0.668127454555E+03 -0.17080E-03 -0.79711E-05 1120 0.183E-02 0.179E-02 DAV: 9 -0.668127587741E+03 -0.13319E-03 -0.26600E-05 1184 0.108E-02 0.715E-03 DAV: 10 -0.668127693643E+03 -0.10590E-03 -0.10907E-05 1120 0.622E-03 0.497E-03 DAV: 11 -0.668127795432E+03 -0.10179E-03 -0.97174E-06 1152 0.530E-03 0.325E-03 DAV: 12 -0.668127878113E+03 -0.82681E-04 -0.10168E-05 1120 0.542E-03 162 F= -.67744920E+03 E0= -.67744920E+03 d E =-.219655E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.668073836701E+03 0.53959E-01 -0.45544E+01 1408 0.124E+01 0.197E+00 DAV: 2 -0.668166220555E+03 -0.92384E-01 -0.10355E+00 1600 0.179E+00 0.889E-01 DAV: 3 -0.668161731418E+03 0.44891E-02 -0.25500E-02 1856 0.320E-01 0.528E-01 DAV: 4 -0.668160498894E+03 0.12325E-02 -0.19042E-02 1632 0.287E-01 0.194E-01 DAV: 5 -0.668160345755E+03 0.15314E-03 -0.30394E-03 1824 0.125E-01 0.108E-01 DAV: 6 -0.668160365506E+03 -0.19751E-04 -0.12606E-03 1632 0.675E-02 0.493E-02 DAV: 7 -0.668160381405E+03 -0.15900E-04 -0.86630E-05 1280 0.228E-02 163 F= -.67746949E+03 E0= -.67746949E+03 d E =-.422540E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.668167775849E+03 -0.74103E-02 -0.17798E+00 1408 0.245E+00 0.429E-01 DAV: 2 -0.668171545791E+03 -0.37699E-02 -0.42380E-02 1632 0.363E-01 0.201E-01 DAV: 3 -0.668171353885E+03 0.19191E-03 -0.10685E-03 1760 0.687E-02 0.114E-01 DAV: 4 -0.668171356272E+03 -0.23879E-05 -0.81031E-04 1632 0.589E-02 164 F= -.67748206E+03 E0= -.67748206E+03 d E =-.125699E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.668175747954E+03 -0.43941E-02 -0.15884E+00 1408 0.231E+00 0.416E-01 DAV: 2 -0.668179142694E+03 -0.33947E-02 -0.38972E-02 1664 0.348E-01 0.196E-01 DAV: 3 -0.668178955953E+03 0.18674E-03 -0.10154E-03 1760 0.684E-02 0.112E-01 DAV: 4 -0.668178944910E+03 0.11044E-04 -0.80971E-04 1664 0.587E-02 165 F= -.67749114E+03 E0= -.67749114E+03 d E =-.216577E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.668173697166E+03 0.52588E-02 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-0.30025E-01 -0.35468E-01 1696 0.106E+00 0.584E-01 DAV: 3 -0.668210244816E+03 0.17606E-02 -0.97865E-03 1792 0.205E-01 0.335E-01 DAV: 4 -0.668209844101E+03 0.40071E-03 -0.66064E-03 1632 0.164E-01 0.125E-01 DAV: 5 -0.668209776500E+03 0.67601E-04 -0.96436E-04 1824 0.770E-02 168 F= -.67753643E+03 E0= -.67753643E+03 d E =-.349577E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.668208080065E+03 0.17640E-02 -0.51556E+00 1408 0.419E+00 0.625E-01 DAV: 2 -0.668218612667E+03 -0.10533E-01 -0.12082E-01 1664 0.611E-01 0.270E-01 DAV: 3 -0.668218137603E+03 0.47506E-03 -0.30928E-03 1728 0.113E-01 0.169E-01 DAV: 4 -0.668218046988E+03 0.90615E-04 -0.24734E-03 1632 0.104E-01 0.706E-02 DAV: 5 -0.668218035172E+03 0.11816E-04 -0.38920E-04 1728 0.455E-02 169 F= -.67754883E+03 E0= -.67754883E+03 d E =-.124064E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.668186956534E+03 0.31090E-01 -0.16754E+01 1408 0.754E+00 0.112E+00 DAV: 2 -0.668221086963E+03 -0.34130E-01 -0.39194E-01 1632 0.110E+00 0.492E-01 DAV: 3 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F= -.67821212E+03 E0= -.67821212E+03 d E =-.686971E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.668615121613E+03 -0.97208E-03 -0.11201E+01 1408 0.585E+00 0.917E-01 DAV: 2 -0.668637896031E+03 -0.22774E-01 -0.24764E-01 1664 0.834E-01 0.434E-01 DAV: 3 -0.668636635058E+03 0.12610E-02 -0.44916E-03 1792 0.147E-01 0.246E-01 DAV: 4 -0.668636417241E+03 0.21782E-03 -0.32612E-03 1600 0.116E-01 0.781E-02 DAV: 5 -0.668636430965E+03 -0.13724E-04 -0.60181E-04 1696 0.563E-02 220 F= -.67824024E+03 E0= -.67824024E+03 d E =-.281265E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.668586498140E+03 0.49919E-01 -0.30038E+01 1408 0.960E+00 0.151E+00 DAV: 2 -0.668648485777E+03 -0.61988E-01 -0.67253E-01 1632 0.138E+00 0.708E-01 DAV: 3 -0.668645181451E+03 0.33043E-02 -0.12521E-02 1792 0.244E-01 0.402E-01 DAV: 4 -0.668644522517E+03 0.65893E-03 -0.88811E-03 1632 0.194E-01 0.130E-01 DAV: 5 -0.668644553040E+03 -0.30522E-04 -0.16514E-03 1792 0.929E-02 0.661E-02 DAV: 6 -0.668644618110E+03 -0.65071E-04 -0.29439E-04 1600 0.313E-02 221 F= -.67825792E+03 E0= -.67825792E+03 d E =-.457982E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.668637126510E+03 0.74265E-02 -0.18012E+01 1408 0.743E+00 0.106E+00 DAV: 2 -0.668673140778E+03 -0.36014E-01 -0.38863E-01 1664 0.104E+00 0.505E-01 DAV: 3 -0.668671430519E+03 0.17103E-02 -0.66801E-03 1824 0.173E-01 0.310E-01 DAV: 4 -0.668671022963E+03 0.40756E-03 -0.62907E-03 1632 0.171E-01 0.985E-02 DAV: 5 -0.668671042909E+03 -0.19945E-04 -0.12370E-03 1792 0.760E-02 0.588E-02 DAV: 6 -0.668671065830E+03 -0.22921E-04 -0.30120E-04 1504 0.314E-02 222 F= -.67829138E+03 E0= -.67829138E+03 d E =-.334661E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.668566013530E+03 0.10503E+00 -0.61114E+01 1408 0.137E+01 0.195E+00 DAV: 2 -0.668690732271E+03 -0.12472E+00 -0.13462E+00 1664 0.193E+00 0.940E-01 DAV: 3 -0.668684506837E+03 0.62254E-02 -0.23401E-02 1856 0.324E-01 0.582E-01 DAV: 4 -0.668682719077E+03 0.17878E-02 -0.22579E-02 1600 0.322E-01 0.190E-01 DAV: 5 -0.668682688096E+03 0.30981E-04 -0.43193E-03 1760 0.143E-01 0.112E-01 DAV: 6 -0.668682723701E+03 -0.35605E-04 -0.11939E-03 1664 0.624E-02 0.551E-02 DAV: 7 -0.668682730854E+03 -0.71530E-05 -0.84700E-05 1088 0.255E-02 223 F= -.67831572E+03 E0= -.67831572E+03 d E =-.578034E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.668671620751E+03 0.11103E-01 -0.20199E+01 1408 0.786E+00 0.115E+00 DAV: 2 -0.668712825960E+03 -0.41205E-01 -0.44798E-01 1600 0.112E+00 0.556E-01 DAV: 3 -0.668710840747E+03 0.19852E-02 -0.77690E-03 1792 0.187E-01 0.335E-01 DAV: 4 -0.668710270112E+03 0.57063E-03 -0.62748E-03 1600 0.172E-01 0.110E-01 DAV: 5 -0.668710288669E+03 -0.18556E-04 -0.12846E-03 1728 0.780E-02 0.582E-02 DAV: 6 -0.668710310881E+03 -0.22212E-04 -0.28905E-04 1504 0.308E-02 224 F= -.67835010E+03 E0= -.67835010E+03 d E =-.343837E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.668690340904E+03 0.19948E-01 -0.14291E+01 1408 0.662E+00 0.977E-01 DAV: 2 -0.668719617202E+03 -0.29276E-01 -0.31833E-01 1600 0.944E-01 0.467E-01 DAV: 3 -0.668718227547E+03 0.13897E-02 -0.54140E-03 1792 0.157E-01 0.280E-01 DAV: 4 -0.668717836187E+03 0.39136E-03 -0.43793E-03 1600 0.144E-01 0.924E-02 DAV: 5 -0.668717851323E+03 -0.15136E-04 -0.91287E-04 1632 0.656E-02 225 F= -.67836321E+03 E0= -.67836321E+03 d E =-.474945E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.668712115236E+03 0.57210E-02 -0.23897E+00 1472 0.270E+00 0.408E-01 DAV: 2 -0.668717067887E+03 -0.49527E-02 -0.53964E-02 1632 0.387E-01 0.190E-01 DAV: 3 -0.668716853058E+03 0.21483E-03 -0.89451E-04 1824 0.663E-02 0.113E-01 DAV: 4 -0.668716822645E+03 0.30413E-04 -0.75265E-04 1568 0.604E-02 226 F= -.67836442E+03 E0= -.67836442E+03 d E =-.486987E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.668728177007E+03 -0.11324E-01 -0.31468E+00 1408 0.319E+00 0.647E-01 DAV: 2 -0.668734822185E+03 -0.66452E-02 -0.77244E-02 1696 0.480E-01 0.297E-01 DAV: 3 -0.668734350122E+03 0.47206E-03 -0.19594E-03 1792 0.986E-02 0.164E-01 DAV: 4 -0.668734310515E+03 0.39608E-04 -0.14785E-03 1600 0.781E-02 0.555E-02 DAV: 5 -0.668734299635E+03 0.10879E-04 -0.28579E-04 1696 0.381E-02 227 F= -.67838512E+03 E0= -.67838512E+03 d E =-.207022E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.668711433848E+03 0.22877E-01 -0.16100E+01 1408 0.721E+00 0.148E+00 DAV: 2 -0.668745878693E+03 -0.34445E-01 -0.39614E-01 1696 0.109E+00 0.670E-01 DAV: 3 -0.668743428799E+03 0.24499E-02 -0.98640E-03 1824 0.219E-01 0.365E-01 DAV: 4 -0.668743070877E+03 0.35792E-03 -0.71936E-03 1632 0.171E-01 0.121E-01 DAV: 5 -0.668742995600E+03 0.75277E-04 -0.13682E-03 1728 0.824E-02 0.622E-02 DAV: 6 -0.668743013122E+03 -0.17522E-04 -0.30038E-04 1568 0.307E-02 228 F= -.67840094E+03 E0= -.67840094E+03 d E =-.365266E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.668751312889E+03 -0.83173E-02 -0.16243E+00 1472 0.229E+00 0.375E-01 DAV: 2 -0.668754691915E+03 -0.33790E-02 -0.38550E-02 1696 0.337E-01 0.171E-01 DAV: 3 -0.668754523940E+03 0.16798E-03 -0.87240E-04 1760 0.639E-02 0.104E-01 DAV: 4 -0.668754513060E+03 0.10880E-04 -0.73442E-04 1632 0.560E-02 229 F= -.67841461E+03 E0= 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DAV: 3 -0.668811238713E+03 0.18559E-03 -0.80929E-04 1824 0.591E-02 0.113E-01 DAV: 4 -0.668811215144E+03 0.23569E-04 -0.49567E-04 1600 0.442E-02 234 F= -.67848233E+03 E0= -.67848233E+03 d E =-.138852E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.668815895132E+03 -0.46564E-02 -0.73564E+00 1408 0.512E+00 0.116E+00 DAV: 2 -0.668830308233E+03 -0.14413E-01 -0.18219E-01 1760 0.780E-01 0.587E-01 DAV: 3 -0.668828915095E+03 0.13931E-02 -0.59523E-03 1824 0.159E-01 0.309E-01 DAV: 4 -0.668828672155E+03 0.24294E-03 -0.37342E-03 1696 0.120E-01 0.102E-01 DAV: 5 -0.668828634659E+03 0.37496E-04 -0.62342E-04 1888 0.579E-02 235 F= -.67850002E+03 E0= -.67850002E+03 d E =-.315670E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.668839384137E+03 -0.10712E-01 -0.11290E+00 1536 0.200E+00 0.426E-01 DAV: 2 -0.668841812728E+03 -0.24286E-02 -0.27912E-02 1664 0.300E-01 0.197E-01 DAV: 3 -0.668841643114E+03 0.16961E-03 -0.70595E-04 1792 0.584E-02 0.106E-01 DAV: 4 -0.668841628367E+03 0.14747E-04 -0.49845E-04 1536 0.464E-02 236 F= -.67851322E+03 E0= -.67851322E+03 d E =-.131996E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.668844254178E+03 -0.26111E-02 -0.66512E+00 1408 0.485E+00 0.104E+00 DAV: 2 -0.668858317185E+03 -0.14063E-01 -0.16297E-01 1664 0.727E-01 0.486E-01 DAV: 3 -0.668857258107E+03 0.10591E-02 -0.42908E-03 1856 0.143E-01 0.259E-01 DAV: 4 -0.668857061390E+03 0.19672E-03 -0.29776E-03 1632 0.114E-01 0.732E-02 DAV: 5 -0.668857039973E+03 0.21417E-04 -0.51688E-04 1728 0.512E-02 237 F= -.67852901E+03 E0= -.67852901E+03 d E =-.289944E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.668869439392E+03 -0.12378E-01 -0.19269E+00 1472 0.256E+00 0.619E-01 DAV: 2 -0.668873614627E+03 -0.41752E-02 -0.48830E-02 1696 0.391E-01 0.302E-01 DAV: 3 -0.668873264068E+03 0.35056E-03 -0.13436E-03 1824 0.829E-02 0.157E-01 DAV: 4 -0.668873254011E+03 0.10057E-04 -0.89965E-04 1632 0.603E-02 238 F= -.67854432E+03 E0= -.67854432E+03 d E =-.153058E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.668879858172E+03 -0.65941E-02 -0.17441E+00 1472 0.243E+00 0.596E-01 DAV: 2 -0.668883606195E+03 -0.37480E-02 -0.44471E-02 1696 0.374E-01 0.292E-01 DAV: 3 -0.668883259262E+03 0.34693E-03 -0.12486E-03 1824 0.808E-02 0.152E-01 DAV: 4 -0.668883237911E+03 0.21351E-04 -0.89292E-04 1632 0.606E-02 239 F= -.67855340E+03 E0= -.67855340E+03 d E =-.243867E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.668874319210E+03 0.89401E-02 -0.69595E+00 1408 0.486E+00 0.119E+00 DAV: 2 -0.668889145806E+03 -0.14827E-01 -0.17508E-01 1696 0.743E-01 0.576E-01 DAV: 3 -0.668887737596E+03 0.14082E-02 -0.49199E-03 1824 0.159E-01 0.298E-01 DAV: 4 -0.668887582880E+03 0.15472E-03 -0.34242E-03 1600 0.119E-01 0.787E-02 DAV: 5 -0.668887542418E+03 0.40462E-04 -0.64789E-04 1728 0.579E-02 240 F= -.67855578E+03 E0= -.67855578E+03 d E =-.267670E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.668886159231E+03 0.14236E-02 -0.11454E+00 1408 0.197E+00 0.467E-01 DAV: 2 -0.668888564812E+03 -0.24056E-02 -0.28520E-02 1696 0.300E-01 0.232E-01 DAV: 3 -0.668888362417E+03 0.20240E-03 -0.82243E-04 1760 0.629E-02 0.122E-01 DAV: 4 -0.668888370929E+03 -0.85124E-05 -0.56608E-04 1664 0.482E-02 241 F= -.67855741E+03 E0= -.67855741E+03 d E =-.283956E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.668896922037E+03 -0.85596E-02 -0.17919E+00 1408 0.246E+00 0.476E-01 DAV: 2 -0.668900665978E+03 -0.37439E-02 -0.42307E-02 1664 0.361E-01 0.170E-01 DAV: 3 -0.668900435559E+03 0.23042E-03 -0.10130E-03 1760 0.680E-02 0.102E-01 DAV: 4 -0.668900396060E+03 0.39499E-04 -0.81961E-04 1632 0.594E-02 242 F= -.67856999E+03 E0= -.67856999E+03 d E =-.125881E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.668897774617E+03 0.26609E-02 -0.10357E+01 1408 0.591E+00 0.117E+00 DAV: 2 -0.668919583143E+03 -0.21809E-01 -0.25012E-01 1728 0.878E-01 0.417E-01 DAV: 3 -0.668918171721E+03 0.14114E-02 -0.61125E-03 1760 0.172E-01 0.249E-01 DAV: 4 -0.668917988684E+03 0.18304E-03 -0.50499E-03 1632 0.145E-01 0.103E-01 DAV: 5 -0.668917942192E+03 0.46492E-04 -0.80989E-04 1824 0.681E-02 243 F= -.67858871E+03 E0= -.67858871E+03 d E 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N E dE d eps ncg rms rms(c) DAV: 1 -0.670074862558E+03 0.64109E-02 -0.91216E+00 1408 0.551E+00 0.994E-01 DAV: 2 -0.670092589790E+03 -0.17727E-01 -0.19989E-01 1696 0.809E-01 0.547E-01 DAV: 3 -0.670091588161E+03 0.10016E-02 -0.51346E-03 1824 0.151E-01 0.318E-01 DAV: 4 -0.670091521686E+03 0.66475E-04 -0.39022E-03 1600 0.125E-01 0.887E-02 DAV: 5 -0.670091528224E+03 -0.65375E-05 -0.67362E-04 1728 0.597E-02 320 F= -.67975778E+03 E0= -.67975778E+03 d E =-.406017E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.670108671039E+03 -0.17149E-01 -0.96774E+00 1408 0.567E+00 0.985E-01 DAV: 2 -0.670126311407E+03 -0.17640E-01 -0.19924E-01 1696 0.807E-01 0.448E-01 DAV: 3 -0.670125187086E+03 0.11243E-02 -0.51161E-03 1792 0.149E-01 0.250E-01 DAV: 4 -0.670125017625E+03 0.16946E-03 -0.29801E-03 1664 0.112E-01 0.753E-02 DAV: 5 -0.670125065210E+03 -0.47585E-04 -0.50064E-04 1664 0.507E-02 321 F= -.67979078E+03 E0= -.67979078E+03 d E =-.330024E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.670064870223E+03 0.60147E-01 -0.39547E+01 1408 0.115E+01 0.200E+00 DAV: 2 -0.670136944387E+03 -0.72074E-01 -0.81308E-01 1696 0.163E+00 0.911E-01 DAV: 3 -0.670132082424E+03 0.48620E-02 -0.21220E-02 1792 0.301E-01 0.508E-01 DAV: 4 -0.670131131140E+03 0.95128E-03 -0.12058E-02 1664 0.225E-01 0.151E-01 DAV: 5 -0.670131267018E+03 -0.13588E-03 -0.20435E-03 1728 0.102E-01 0.817E-02 DAV: 6 -0.670131335757E+03 -0.68739E-04 -0.54294E-04 1600 0.428E-02 322 F= -.67979602E+03 E0= -.67979602E+03 d E =-.382393E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.670126504777E+03 0.47622E-02 -0.77661E+00 1408 0.508E+00 0.858E-01 DAV: 2 -0.670140389209E+03 -0.13884E-01 -0.15861E-01 1632 0.722E-01 0.413E-01 DAV: 3 -0.670139482812E+03 0.90640E-03 -0.42152E-03 1792 0.133E-01 0.235E-01 DAV: 4 -0.670139372441E+03 0.11037E-03 -0.26573E-03 1632 0.104E-01 0.699E-02 DAV: 5 -0.670139411668E+03 -0.39227E-04 -0.43054E-04 1728 0.464E-02 323 F= -.67980454E+03 E0= -.67980454E+03 d E =-.467648E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.670148859612E+03 -0.94872E-02 -0.13908E+01 1408 0.695E+00 0.145E+00 DAV: 2 -0.670174937512E+03 -0.26078E-01 -0.29250E-01 1664 0.990E-01 0.597E-01 DAV: 3 -0.670172813278E+03 0.21242E-02 -0.76118E-03 1792 0.184E-01 0.321E-01 DAV: 4 -0.670172448219E+03 0.36506E-03 -0.44390E-03 1728 0.137E-01 0.850E-02 DAV: 5 -0.670172485871E+03 -0.37651E-04 -0.71812E-04 1760 0.577E-02 324 F= -.67983394E+03 E0= -.67983394E+03 d E =-.293957E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.670172730179E+03 -0.28196E-03 -0.18667E+00 1408 0.255E+00 0.546E-01 DAV: 2 -0.670176360902E+03 -0.36307E-02 -0.40050E-02 1664 0.365E-01 0.219E-01 DAV: 3 -0.670176112301E+03 0.24860E-03 -0.97867E-04 1856 0.672E-02 0.119E-01 DAV: 4 -0.670176099707E+03 0.12594E-04 -0.59401E-04 1504 0.499E-02 325 F= -.67983623E+03 E0= -.67983623E+03 d E =-.316878E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.670183376093E+03 -0.72638E-02 -0.11920E+01 1408 0.637E+00 0.122E+00 DAV: 2 -0.670206434243E+03 -0.23058E-01 -0.25914E-01 1664 0.926E-01 0.575E-01 DAV: 3 -0.670204866296E+03 0.15679E-02 -0.66180E-03 1888 0.175E-01 0.320E-01 DAV: 4 -0.670204623386E+03 0.24291E-03 -0.36790E-03 1632 0.122E-01 0.920E-02 DAV: 5 -0.670204664588E+03 -0.41202E-04 -0.65313E-04 1728 0.603E-02 326 F= -.67986244E+03 E0= -.67986244E+03 d E =-.262134E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.670203984547E+03 0.63884E-03 -0.23363E+00 1408 0.282E+00 0.554E-01 DAV: 2 -0.670208548376E+03 -0.45638E-02 -0.50906E-02 1664 0.409E-01 0.255E-01 DAV: 3 -0.670208266954E+03 0.28142E-03 -0.12623E-03 1888 0.763E-02 0.143E-01 DAV: 4 -0.670208242187E+03 0.24767E-04 -0.69056E-04 1632 0.534E-02 327 F= -.67986498E+03 E0= -.67986498E+03 d E =-.287554E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.670216874718E+03 -0.86078E-02 -0.12995E+01 1408 0.659E+00 0.107E+00 DAV: 2 -0.670240623702E+03 -0.23749E-01 -0.26638E-01 1600 0.929E-01 0.505E-01 DAV: 3 -0.670238918374E+03 0.17053E-02 -0.60521E-03 1856 0.163E-01 0.303E-01 DAV: 4 -0.670238604094E+03 0.31428E-03 -0.57584E-03 1664 0.156E-01 0.842E-02 DAV: 5 -0.670238605918E+03 -0.18231E-05 -0.98720E-04 1696 0.669E-02 328 F= -.67989315E+03 E0= -.67989315E+03 d E =-.281661E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.670237709531E+03 0.89456E-03 -0.52853E+00 1408 0.421E+00 0.693E-01 DAV: 2 -0.670247515712E+03 -0.98062E-02 -0.10943E-01 1664 0.595E-01 0.323E-01 DAV: 3 -0.670246841092E+03 0.67462E-03 -0.24408E-03 1856 0.105E-01 0.193E-01 DAV: 4 -0.670246741438E+03 0.99654E-04 -0.23729E-03 1664 0.101E-01 0.543E-02 DAV: 5 -0.670246748194E+03 -0.67558E-05 -0.41278E-04 1568 0.436E-02 329 F= -.67989989E+03 E0= -.67989989E+03 d E =-.349011E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.670253816740E+03 -0.70753E-02 -0.11157E+01 1408 0.620E+00 0.124E+00 DAV: 2 -0.670275749526E+03 -0.21933E-01 -0.25285E-01 1696 0.923E-01 0.559E-01 DAV: 3 -0.670273968663E+03 0.17809E-02 -0.69044E-03 1856 0.179E-01 0.318E-01 DAV: 4 -0.670273620811E+03 0.34785E-03 -0.45096E-03 1664 0.136E-01 0.980E-02 DAV: 5 -0.670273619500E+03 0.13109E-05 -0.77788E-04 1696 0.657E-02 330 F= -.67992359E+03 E0= -.67992359E+03 d E =-.237035E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.670274114884E+03 -0.49407E-03 -0.47234E-01 1536 0.128E+00 0.267E-01 DAV: 2 -0.670275084204E+03 -0.96932E-03 -0.10931E-02 1696 0.191E-01 0.117E-01 DAV: 3 -0.670275023092E+03 0.61112E-04 -0.28849E-04 1792 0.376E-02 331 F= -.67992434E+03 E0= -.67992434E+03 d E =-.244567E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.670279614445E+03 -0.45302E-02 -0.10274E+01 1408 0.593E+00 0.112E+00 DAV: 2 -0.670299196848E+03 -0.19582E-01 -0.23225E-01 1696 0.881E-01 0.525E-01 DAV: 3 -0.670297805749E+03 0.13911E-02 -0.65844E-03 1792 0.171E-01 0.297E-01 DAV: 4 -0.670297581485E+03 0.22426E-03 -0.39176E-03 1664 0.122E-01 0.107E-01 DAV: 5 -0.670297587720E+03 -0.62350E-05 -0.71552E-04 1760 0.637E-02 332 F= -.67994544E+03 E0= -.67994544E+03 d E =-.210946E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.670295992119E+03 0.15894E-02 -0.27501E+00 1408 0.307E+00 0.589E-01 DAV: 2 -0.670301352535E+03 -0.53604E-02 -0.62742E-02 1696 0.456E-01 0.270E-01 DAV: 3 -0.670300993900E+03 0.35863E-03 -0.16994E-03 1824 0.878E-02 0.153E-01 DAV: 4 -0.670300954978E+03 0.38922E-04 -0.10262E-03 1632 0.623E-02 0.541E-02 DAV: 5 -0.670300959898E+03 -0.49206E-05 -0.17760E-04 1344 0.334E-02 333 F= -.67994804E+03 E0= -.67994804E+03 d E =-.236927E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.670302161877E+03 -0.12069E-02 -0.10672E+01 1408 0.607E+00 0.109E+00 DAV: 2 -0.670322820127E+03 -0.20658E-01 -0.23672E-01 1664 0.883E-01 0.466E-01 DAV: 3 -0.670321269233E+03 0.15509E-02 -0.56138E-03 1792 0.158E-01 0.272E-01 DAV: 4 -0.670320885601E+03 0.38363E-03 -0.46991E-03 1664 0.144E-01 0.834E-02 DAV: 5 -0.670320879371E+03 0.62294E-05 -0.82945E-04 1728 0.626E-02 334 F= -.67996566E+03 E0= -.67996566E+03 d E =-.176283E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.670320334911E+03 0.55069E-03 -0.17235E+00 1408 0.244E+00 0.451E-01 DAV: 2 -0.670323736072E+03 -0.34012E-02 -0.39016E-02 1664 0.358E-01 0.189E-01 DAV: 3 -0.670323491288E+03 0.24478E-03 -0.92068E-04 1856 0.661E-02 0.110E-01 DAV: 4 -0.670323445263E+03 0.46025E-04 -0.78825E-04 1568 0.602E-02 335 F= -.67996730E+03 E0= -.67996730E+03 d E =-.192613E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.670325106830E+03 -0.16155E-02 -0.81842E+00 1408 0.531E+00 0.819E-01 DAV: 2 -0.670341313009E+03 -0.16206E-01 -0.18335E-01 1664 0.783E-01 0.438E-01 DAV: 3 -0.670340138202E+03 0.11748E-02 -0.42660E-03 1824 0.141E-01 0.261E-01 DAV: 4 -0.670339810892E+03 0.32731E-03 -0.33793E-03 1632 0.123E-01 0.735E-02 DAV: 5 -0.670339818996E+03 -0.81048E-05 -0.62533E-04 1728 0.562E-02 336 F= -.67998230E+03 E0= -.67998230E+03 d E =-.150060E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.670340037154E+03 -0.22626E-03 -0.56137E-01 1536 0.139E+00 0.224E-01 DAV: 2 -0.670341189027E+03 -0.11519E-02 -0.12864E-02 1664 0.206E-01 0.115E-01 DAV: 3 -0.670341119056E+03 0.69971E-04 -0.27860E-04 1728 0.377E-02 337 F= -.67998324E+03 E0= -.67998324E+03 d E =-.159419E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.670346874378E+03 -0.56854E-02 -0.42856E+00 1408 0.387E+00 0.736E-01 DAV: 2 -0.670355155300E+03 -0.82809E-02 -0.96506E-02 1728 0.572E-01 0.313E-01 DAV: 3 -0.670354535411E+03 0.61989E-03 -0.25764E-03 1824 0.107E-01 0.176E-01 DAV: 4 -0.670354382522E+03 0.15289E-03 -0.13550E-03 1696 0.751E-02 0.588E-02 DAV: 5 -0.670354381680E+03 0.84206E-06 -0.20997E-04 1440 0.366E-02 338 F= -.67999684E+03 E0= -.67999684E+03 d E =-.135999E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.670351157236E+03 0.32253E-02 -0.37985E+00 1408 0.365E+00 0.697E-01 DAV: 2 -0.670358670934E+03 -0.75137E-02 -0.86994E-02 1728 0.541E-01 0.294E-01 DAV: 3 -0.670358076741E+03 0.59419E-03 -0.22539E-03 1824 0.102E-01 0.164E-01 DAV: 4 -0.670357924619E+03 0.15212E-03 -0.11908E-03 1696 0.700E-02 0.551E-02 DAV: 5 -0.670357925873E+03 -0.12542E-05 -0.18733E-04 1440 0.347E-02 339 F= -.68000070E+03 E0= -.68000070E+03 d E =-.174597E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.670363042662E+03 -0.51180E-02 -0.15663E+00 1408 0.231E+00 0.437E-01 DAV: 2 -0.670366192607E+03 -0.31499E-02 -0.35690E-02 1664 0.341E-01 0.178E-01 DAV: 3 -0.670366005517E+03 0.18709E-03 -0.92441E-04 1920 0.636E-02 0.101E-01 DAV: 4 -0.670365975186E+03 0.30331E-04 -0.55491E-04 1600 0.481E-02 340 F= -.68000830E+03 E0= -.68000830E+03 d E =-.760655E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.670362606757E+03 0.33988E-02 -0.69478E+00 1408 0.487E+00 0.916E-01 DAV: 2 -0.670376402229E+03 -0.13795E-01 -0.15844E-01 1664 0.721E-01 0.385E-01 DAV: 3 -0.670375513697E+03 0.88853E-03 -0.42726E-03 1920 0.137E-01 0.218E-01 DAV: 4 -0.670375301739E+03 0.21196E-03 -0.25875E-03 1664 0.104E-01 0.771E-02 DAV: 5 -0.670375295302E+03 0.64367E-05 -0.44201E-04 1696 0.488E-02 341 F= -.68001668E+03 E0= -.68001668E+03 d E =-.159841E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.670374367079E+03 0.93466E-03 -0.91657E-01 1408 0.177E+00 0.338E-01 DAV: 2 -0.670376232032E+03 -0.18650E-02 -0.21129E-02 1664 0.262E-01 0.138E-01 DAV: 3 -0.670376120630E+03 0.11140E-03 -0.52181E-04 1856 0.490E-02 0.773E-02 DAV: 4 -0.670376109752E+03 0.10878E-04 -0.31269E-04 1440 0.361E-02 342 F= -.68001715E+03 E0= -.68001715E+03 d E =-.164514E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.670382207962E+03 -0.60873E-02 -0.16447E+00 1408 0.239E+00 0.399E-01 DAV: 2 -0.670385521338E+03 -0.33134E-02 -0.38675E-02 1600 0.357E-01 0.192E-01 DAV: 3 -0.670385272193E+03 0.24914E-03 -0.10026E-03 1856 0.691E-02 0.115E-01 DAV: 4 -0.670385211033E+03 0.61160E-04 -0.87136E-04 1472 0.636E-02 343 F= -.68002554E+03 E0= -.68002554E+03 d E =-.839183E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.670387848490E+03 -0.25763E-02 -0.60257E-01 1408 0.145E+00 0.251E-01 DAV: 2 -0.670389069007E+03 -0.12205E-02 -0.14635E-02 1600 0.219E-01 0.121E-01 DAV: 3 -0.670388978271E+03 0.90737E-04 -0.40419E-04 1856 0.449E-02 344 F= -.68002887E+03 E0= -.68002887E+03 d E =-.117249E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.670388191556E+03 0.87745E-03 -0.23702E+00 1408 0.287E+00 0.487E-01 DAV: 2 -0.670392732869E+03 -0.45413E-02 -0.54098E-02 1632 0.424E-01 0.236E-01 DAV: 3 -0.670392385366E+03 0.34750E-03 -0.14791E-03 1760 0.814E-02 0.140E-01 DAV: 4 -0.670392289325E+03 0.96041E-04 -0.10989E-03 1632 0.727E-02 0.451E-02 DAV: 5 -0.670392287997E+03 0.13277E-05 -0.18953E-04 1408 0.312E-02 345 F= -.68003130E+03 E0= -.68003130E+03 d E =-.141530E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.670398158023E+03 -0.58687E-02 -0.27997E+00 1408 0.314E+00 0.647E-01 DAV: 2 -0.670403886775E+03 -0.57288E-02 -0.67132E-02 1696 0.469E-01 0.253E-01 DAV: 3 -0.670403456483E+03 0.43029E-03 -0.18328E-03 1792 0.922E-02 0.147E-01 DAV: 4 -0.670403392763E+03 0.63720E-04 -0.14559E-03 1696 0.791E-02 0.567E-02 DAV: 5 -0.670403376444E+03 0.16319E-04 -0.24245E-04 1440 0.368E-02 346 F= -.68004147E+03 E0= -.68004147E+03 d E =-.101708E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.670398383273E+03 0.50095E-02 -0.67023E+00 1408 0.486E+00 0.101E+00 DAV: 2 -0.670412065187E+03 -0.13682E-01 -0.16016E-01 1696 0.725E-01 0.394E-01 DAV: 3 -0.670411007093E+03 0.10581E-02 -0.43761E-03 1792 0.142E-01 0.228E-01 DAV: 4 -0.670410822073E+03 0.18502E-03 -0.34436E-03 1632 0.122E-01 0.870E-02 DAV: 5 -0.670410785879E+03 0.36194E-04 -0.60127E-04 1792 0.567E-02 347 F= -.68004743E+03 E0= -.68004743E+03 d E =-.161301E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.670416981700E+03 -0.61596E-02 -0.24106E+00 1408 0.291E+00 0.535E-01 DAV: 2 -0.670422003958E+03 -0.50223E-02 -0.59635E-02 1728 0.443E-01 0.235E-01 DAV: 3 -0.670421659450E+03 0.34451E-03 -0.16505E-03 1824 0.875E-02 0.137E-01 DAV: 4 -0.670421610313E+03 0.49137E-04 -0.92585E-04 1696 0.594E-02 348 F= -.68005691E+03 E0= -.68005691E+03 d E =-.948048E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.670422871188E+03 -0.12117E-02 -0.20948E+00 1408 0.271E+00 0.507E-01 DAV: 2 -0.670427160599E+03 -0.42894E-02 -0.51970E-02 1728 0.414E-01 0.231E-01 DAV: 3 -0.670426822186E+03 0.33841E-03 -0.15166E-03 1792 0.848E-02 0.131E-01 DAV: 4 -0.670426771654E+03 0.50532E-04 -0.87367E-04 1696 0.573E-02 349 F= -.68006082E+03 E0= -.68006082E+03 d E =-.133828E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.670427097270E+03 -0.27508E-03 -0.90110E-02 1536 0.563E-01 0.114E-01 DAV: 2 -0.670427295761E+03 -0.19849E-03 -0.24218E-03 1760 0.889E-02 0.556E-02 DAV: 3 -0.670427277470E+03 0.18291E-04 -0.76716E-05 1152 0.222E-02 350 F= -.68006106E+03 E0= -.68006106E+03 d E =-.136276E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.670430847710E+03 -0.35519E-02 -0.57850E-01 1472 0.143E+00 0.319E-01 DAV: 2 -0.670432025168E+03 -0.11775E-02 -0.13869E-02 1696 0.213E-01 0.145E-01 DAV: 3 -0.670431919741E+03 0.10543E-03 -0.39171E-04 1760 0.416E-02 0.838E-02 DAV: 4 -0.670431898107E+03 0.21634E-04 -0.21446E-04 1408 0.312E-02 351 F= -.68006576E+03 E0= -.68006576E+03 d E =-.470213E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.670432575116E+03 -0.65537E-03 -0.96103E-01 1408 0.184E+00 0.413E-01 DAV: 2 -0.670434569589E+03 -0.19945E-02 -0.23430E-02 1728 0.276E-01 0.190E-01 DAV: 3 -0.670434380903E+03 0.18869E-03 -0.63228E-04 1792 0.544E-02 0.109E-01 DAV: 4 -0.670434338812E+03 0.42091E-04 -0.36144E-04 1632 0.391E-02 352 F= -.68006830E+03 E0= -.68006830E+03 d E =-.724316E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.670437619419E+03 -0.32385E-02 -0.85504E-01 1408 0.173E+00 0.328E-01 DAV: 2 -0.670439283555E+03 -0.16641E-02 -0.19358E-02 1728 0.250E-01 0.165E-01 DAV: 3 -0.670439158378E+03 0.12518E-03 -0.49982E-04 1760 0.458E-02 0.100E-01 DAV: 4 -0.670439124622E+03 0.33756E-04 -0.31550E-04 1600 0.359E-02 353 F= -.68007304E+03 E0= -.68007304E+03 d E =-.473940E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.670439549123E+03 -0.39074E-03 -0.11208E+00 1408 0.198E+00 0.377E-01 DAV: 2 -0.670441726525E+03 -0.21774E-02 -0.25439E-02 1760 0.287E-01 0.190E-01 DAV: 3 -0.670441560500E+03 0.16602E-03 -0.65682E-04 1824 0.521E-02 0.115E-01 DAV: 4 -0.670441513367E+03 0.47133E-04 -0.42160E-04 1696 0.414E-02 354 F= -.68007538E+03 E0= -.68007538E+03 d E =-.707393E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.670445725849E+03 -0.41653E-02 -0.11491E+00 1408 0.202E+00 0.467E-01 DAV: 2 -0.670448229413E+03 -0.25036E-02 -0.28113E-02 1696 0.303E-01 0.171E-01 DAV: 3 -0.670448061398E+03 0.16802E-03 -0.75376E-04 1792 0.576E-02 0.932E-02 DAV: 4 -0.670448027402E+03 0.33996E-04 -0.33325E-04 1664 0.386E-02 355 F= -.68008058E+03 E0= -.68008058E+03 d E =-.520335E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.670449037919E+03 -0.97652E-03 -0.90298E-01 1472 0.179E+00 0.421E-01 DAV: 2 -0.670451005718E+03 -0.19678E-02 -0.22135E-02 1696 0.269E-01 0.159E-01 DAV: 3 -0.670450866510E+03 0.13921E-03 -0.59600E-04 1824 0.517E-02 0.861E-02 DAV: 4 -0.670450836249E+03 0.30260E-04 -0.25317E-04 1536 0.346E-02 356 F= -.68008223E+03 E0= -.68008223E+03 d E =-.685048E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.670454111599E+03 -0.32451E-02 -0.96662E-01 1408 0.184E+00 0.337E-01 DAV: 2 -0.670456104079E+03 -0.19925E-02 -0.22796E-02 1664 0.273E-01 0.168E-01 DAV: 3 -0.670455970248E+03 0.13383E-03 -0.60240E-04 1824 0.518E-02 0.963E-02 DAV: 4 -0.670455941294E+03 0.28953E-04 -0.40000E-04 1568 0.424E-02 357 F= -.68008645E+03 E0= -.68008645E+03 d E =-.422293E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.670456692492E+03 -0.72224E-03 -0.13717E+00 1472 0.220E+00 0.408E-01 DAV: 2 -0.670459529835E+03 -0.28373E-02 -0.32677E-02 1696 0.327E-01 0.205E-01 DAV: 3 -0.670459316225E+03 0.21361E-03 -0.83738E-04 1824 0.626E-02 0.117E-01 DAV: 4 -0.670459269768E+03 0.46457E-04 -0.58950E-04 1536 0.513E-02 358 F= -.68008872E+03 E0= -.68008872E+03 d E =-.649678E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.670463463988E+03 -0.41478E-02 -0.10556E+00 1408 0.192E+00 0.287E-01 DAV: 2 -0.670465601030E+03 -0.21370E-02 -0.25039E-02 1696 0.285E-01 0.138E-01 DAV: 3 -0.670465480902E+03 0.12013E-03 -0.63294E-04 1792 0.532E-02 0.854E-02 DAV: 4 -0.670465459505E+03 0.21397E-04 -0.46922E-04 1440 0.451E-02 359 F= -.68009417E+03 E0= -.68009417E+03 d E =-.544611E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.670457740476E+03 0.77404E-02 -0.91708E+00 1408 0.566E+00 0.841E-01 DAV: 2 -0.670476249528E+03 -0.18509E-01 -0.21533E-01 1696 0.835E-01 0.412E-01 DAV: 3 -0.670475177157E+03 0.10724E-02 -0.53868E-03 1760 0.152E-01 0.255E-01 DAV: 4 -0.670474860512E+03 0.31665E-03 -0.39929E-03 1632 0.131E-01 0.970E-02 DAV: 5 -0.670474855477E+03 0.50344E-05 -0.69968E-04 1792 0.610E-02 360 F= -.68010137E+03 E0= -.68010137E+03 d E =-.126426E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.670477717880E+03 -0.28574E-02 -0.77565E-01 1536 0.165E+00 0.258E-01 DAV: 2 -0.670479336872E+03 -0.16190E-02 -0.18229E-02 1632 0.242E-01 0.127E-01 DAV: 3 -0.670479268539E+03 0.68333E-04 -0.43773E-04 1824 0.445E-02 361 F= -.68010524E+03 E0= -.68010524E+03 d E =-.387045E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.670475023634E+03 0.43132E-02 -0.69571E+00 1408 0.493E+00 0.747E-01 DAV: 2 -0.670488711250E+03 -0.13688E-01 -0.15785E-01 1632 0.719E-01 0.387E-01 DAV: 3 -0.670488047744E+03 0.66351E-03 -0.41969E-03 1824 0.130E-01 0.243E-01 DAV: 4 -0.670487858950E+03 0.18879E-03 -0.31686E-03 1632 0.120E-01 0.867E-02 DAV: 5 -0.670487845121E+03 0.13829E-04 -0.58091E-04 1728 0.555E-02 362 F= -.68011220E+03 E0= -.68011220E+03 d E =-.108329E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.670430263414E+03 0.57596E-01 -0.27951E+01 1408 0.988E+00 0.148E+00 DAV: 2 -0.670487666093E+03 -0.57403E-01 -0.65092E-01 1664 0.145E+00 0.771E-01 DAV: 3 -0.670484728234E+03 0.29379E-02 -0.16072E-02 1856 0.261E-01 0.488E-01 DAV: 4 -0.670483804046E+03 0.92419E-03 -0.13414E-02 1632 0.243E-01 0.176E-01 DAV: 5 -0.670483696036E+03 0.10801E-03 -0.25056E-03 1856 0.115E-01 0.866E-02 DAV: 6 -0.670483754681E+03 -0.58645E-04 -0.62702E-04 1632 0.449E-02 363 F= -.68010495E+03 E0= -.68010495E+03 d E =-.357858E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.670459643624E+03 0.24052E-01 -0.15978E+01 1408 0.748E+00 0.112E+00 DAV: 2 -0.670491838570E+03 -0.32195E-01 -0.36466E-01 1632 0.109E+00 0.577E-01 DAV: 3 -0.670490135043E+03 0.17035E-02 -0.91953E-03 1824 0.197E-01 0.348E-01 DAV: 4 -0.670489654223E+03 0.48082E-03 -0.72943E-03 1664 0.179E-01 0.125E-01 DAV: 5 -0.670489604414E+03 0.49809E-04 -0.12967E-03 1792 0.822E-02 0.618E-02 DAV: 6 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DAV: 2 -0.670499548367E+03 -0.62956E-03 -0.72487E-03 1664 0.154E-01 0.745E-02 DAV: 3 -0.670499507320E+03 0.41047E-04 -0.15476E-04 1344 0.291E-02 367 F= -.68012208E+03 E0= -.68012208E+03 d E =-.888121E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.670503661020E+03 -0.41127E-02 -0.12201E+00 1408 0.205E+00 0.414E-01 DAV: 2 -0.670505995463E+03 -0.23344E-02 -0.27171E-02 1728 0.294E-01 0.175E-01 DAV: 3 -0.670505845360E+03 0.15010E-03 -0.68196E-04 1792 0.537E-02 0.100E-01 DAV: 4 -0.670505824893E+03 0.20467E-04 -0.39066E-04 1600 0.407E-02 368 F= -.68012765E+03 E0= -.68012765E+03 d E =-.557064E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.670506822549E+03 -0.97719E-03 -0.14655E+00 1408 0.225E+00 0.464E-01 DAV: 2 -0.670509698958E+03 -0.28764E-02 -0.33566E-02 1728 0.327E-01 0.198E-01 DAV: 3 -0.670509499692E+03 0.19927E-03 -0.85484E-04 1824 0.617E-02 0.111E-01 DAV: 4 -0.670509469501E+03 0.30191E-04 -0.50630E-04 1632 0.459E-02 369 F= -.68013049E+03 E0= -.68013049E+03 d E =-.840720E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.670511776290E+03 -0.22766E-02 -0.66743E-01 1536 0.154E+00 0.290E-01 DAV: 2 -0.670512956975E+03 -0.11807E-02 -0.15275E-02 1664 0.226E-01 0.133E-01 DAV: 3 -0.670512838933E+03 0.11804E-03 -0.49100E-04 1664 0.457E-02 0.708E-02 DAV: 4 -0.670512800934E+03 0.38000E-04 -0.22412E-04 1504 0.310E-02 370 F= -.68013400E+03 E0= -.68013400E+03 d E =-.350639E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.670512926204E+03 -0.87271E-04 -0.23287E-01 1536 0.907E-01 0.175E-01 DAV: 2 -0.670513322717E+03 -0.39651E-03 -0.53245E-03 1728 0.134E-01 0.816E-02 DAV: 3 -0.670513273239E+03 0.49478E-04 -0.16033E-04 1376 0.274E-02 371 F= -.68013457E+03 E0= -.68013457E+03 d E =-.408255E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.670514680662E+03 -0.13579E-02 -0.75489E-01 1408 0.163E+00 0.292E-01 DAV: 2 -0.670516084580E+03 -0.14039E-02 -0.16340E-02 1696 0.230E-01 0.126E-01 DAV: 3 -0.670515982673E+03 0.10191E-03 -0.42035E-04 1792 0.426E-02 0.722E-02 DAV: 4 -0.670515961835E+03 0.20838E-04 -0.24526E-04 1312 0.338E-02 372 F= -.68013735E+03 E0= -.68013735E+03 d E =-.278124E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.670516006942E+03 -0.24269E-04 -0.66283E-01 1408 0.152E+00 0.277E-01 DAV: 2 -0.670517278865E+03 -0.12719E-02 -0.14776E-02 1696 0.218E-01 0.118E-01 DAV: 3 -0.670517190043E+03 0.88822E-04 -0.36524E-04 1792 0.405E-02 373 F= -.68013866E+03 E0= -.68013866E+03 d E =-.409106E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.670519784738E+03 -0.25059E-02 -0.63808E-01 1408 0.150E+00 0.282E-01 DAV: 2 -0.670521021864E+03 -0.12371E-02 -0.15114E-02 1664 0.223E-01 0.124E-01 DAV: 3 -0.670520918344E+03 0.10352E-03 -0.43666E-04 1696 0.445E-02 0.666E-02 DAV: 4 -0.670520901884E+03 0.16460E-04 -0.19391E-04 1376 0.298E-02 374 F= -.68014199E+03 E0= -.68014199E+03 d E =-.333127E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.670521391563E+03 -0.47322E-03 -0.31724E-01 1472 0.106E+00 0.199E-01 DAV: 2 -0.670522030053E+03 -0.63849E-03 -0.78243E-03 1696 0.159E-01 0.862E-02 DAV: 3 -0.670521970858E+03 0.59196E-04 -0.20471E-04 1472 0.320E-02 375 F= -.68014279E+03 E0= -.68014279E+03 d E =-.412814E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.670523442085E+03 -0.14120E-02 -0.38855E-01 1472 0.117E+00 0.239E-01 DAV: 2 -0.670524202419E+03 -0.76033E-03 -0.89703E-03 1728 0.170E-01 0.886E-02 DAV: 3 -0.670524143090E+03 0.59328E-04 -0.22514E-04 1440 0.322E-02 376 F= -.68014515E+03 E0= -.68014515E+03 d E =-.235608E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.670522030968E+03 0.21715E-02 -0.21392E+00 1408 0.275E+00 0.557E-01 DAV: 2 -0.670526288969E+03 -0.42580E-02 -0.49549E-02 1664 0.399E-01 0.205E-01 DAV: 3 -0.670525964414E+03 0.32456E-03 -0.13146E-03 1792 0.760E-02 0.120E-01 DAV: 4 -0.670525880562E+03 0.83851E-04 -0.91224E-04 1696 0.637E-02 377 F= -.68014730E+03 E0= -.68014730E+03 d E =-.450841E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.670527332080E+03 -0.13677E-02 -0.46101E-01 1408 0.127E+00 0.204E-01 DAV: 2 -0.670528258091E+03 -0.92601E-03 -0.10987E-02 1632 0.189E-01 0.918E-02 DAV: 3 -0.670528195880E+03 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