N E dE d eps ncg rms rms(c)
DAV: 1 0.620796758882E+04 0.62080E+04 -0.50933E+05 1413 0.123E+03
DAV: 2 -0.113389543006E+04 -0.73419E+04 -0.71136E+04 1701 0.300E+02
DAV: 3 -0.177122926057E+04 -0.63733E+03 -0.62963E+03 1647 0.926E+01
DAV: 4 -0.179021649789E+04 -0.18987E+02 -0.18879E+02 1773 0.154E+01
DAV: 5 -0.179061338197E+04 -0.39688E+00 -0.39567E+00 1647 0.229E+00 0.880E+01
DAV: 6 -0.159254105155E+04 0.19807E+03 -0.10053E+03 1566 0.326E+01 0.435E+01
DAV: 7 -0.158822500474E+04 0.43160E+01 -0.61167E+01 1629 0.107E+01 0.191E+01
DAV: 8 -0.158734865227E+04 0.87635E+00 -0.83474E+00 1764 0.386E+00 0.924E+00
DAV: 9 -0.158721509983E+04 0.13355E+00 -0.15025E+00 1845 0.226E+00 0.181E+00
DAV: 10 -0.158726124847E+04 -0.46149E-01 -0.32857E-01 1656 0.883E-01 0.116E+00
DAV: 11 -0.158727190177E+04 -0.10653E-01 -0.93376E-02 1728 0.453E-01 0.620E-01
DAV: 12 -0.158727855956E+04 -0.66578E-02 -0.13066E-02 1773 0.232E-01 0.283E-01
DAV: 13 -0.158728211468E+04 -0.35551E-02 -0.58668E-03 1629 0.153E-01 0.964E-02
DAV: 14 -0.158728238751E+04 -0.27283E-03 -0.29368E-03 1647 0.848E-02 0.739E-02
DAV: 15 -0.158728242660E+04 -0.39093E-04 -0.27278E-04 1629 0.276E-02 0.445E-02
DAV: 16 -0.158728248204E+04 -0.55439E-04 -0.22379E-04 1674 0.230E-02 0.166E-02
DAV: 17 -0.158728249209E+04 -0.10051E-04 -0.44144E-05 1476 0.124E-02 0.140E-02
DAV: 18 -0.158728249066E+04 0.14282E-05 -0.21334E-05 936 0.877E-03
1 F= -.15872825E+04 E0= -.15872864E+04 d E =-.158728E+04
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142289369486E+04 0.16439E+03 -0.52205E+04 1404 0.322E+02 0.938E+01
DAV: 2 -0.177321931165E+04 -0.35033E+03 -0.36543E+03 1593 0.759E+01 0.505E+01
DAV: 3 -0.174040665577E+04 0.32813E+02 -0.94473E+01 1638 0.142E+01 0.267E+01
DAV: 4 -0.173081026004E+04 0.95964E+01 -0.51616E+01 1620 0.100E+01 0.922E+00
DAV: 5 -0.173067767930E+04 0.13258E+00 -0.68053E+00 1629 0.390E+00 0.879E+00
DAV: 6 -0.173001943633E+04 0.65824E+00 -0.29042E+00 1620 0.242E+00 0.217E+00
DAV: 7 -0.172999667720E+04 0.22759E-01 -0.31213E-01 1782 0.111E+00 0.115E+00
DAV: 8 -0.172999267255E+04 0.40047E-02 -0.21366E-01 1611 0.776E-01 0.687E-01
DAV: 9 -0.172998655795E+04 0.61146E-02 -0.35901E-02 1782 0.333E-01 0.423E-01
DAV: 10 -0.172998397201E+04 0.25859E-02 -0.12695E-02 1647 0.197E-01 0.157E-01
DAV: 11 -0.172998308071E+04 0.89130E-03 -0.24912E-03 1863 0.150E-01 0.966E-02
DAV: 12 -0.172998312260E+04 -0.41884E-04 -0.37360E-03 1638 0.112E-01 0.790E-02
DAV: 13 -0.172998296551E+04 0.15709E-03 -0.81640E-04 1638 0.503E-02 0.325E-02
DAV: 14 -0.172998288023E+04 0.85282E-04 -0.14678E-04 1809 0.500E-02 0.288E-02
DAV: 15 -0.172998286817E+04 0.12058E-04 -0.21585E-04 1638 0.246E-02 0.171E-02
DAV: 16 -0.172998286026E+04 0.79074E-05 -0.30620E-05 1260 0.929E-03
2 F= -.17299829E+04 E0= -.17299878E+04 d E =-.142700E+03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.172778592721E+04 0.21969E+01 -0.53388E+03 1404 0.105E+02 0.212E+01
DAV: 2 -0.174046727677E+04 -0.12681E+02 -0.13926E+02 1638 0.153E+01 0.851E+00
DAV: 3 -0.173926191776E+04 0.12054E+01 -0.30764E+00 1638 0.271E+00 0.453E+00
DAV: 4 -0.173882563240E+04 0.43629E+00 -0.11358E+00 1629 0.192E+00 0.123E+00
DAV: 5 -0.173884338050E+04 -0.17748E-01 -0.45802E-01 1647 0.901E-01 0.102E+00
DAV: 6 -0.173883809797E+04 0.52825E-02 -0.18969E-01 1656 0.294E-01 0.707E-01
DAV: 7 -0.173883350001E+04 0.45980E-02 -0.86925E-03 1629 0.120E-01 0.476E-01
DAV: 8 -0.173883135283E+04 0.21472E-02 -0.27399E-02 1755 0.202E-01 0.369E-01
DAV: 9 -0.173882992613E+04 0.14267E-02 -0.77216E-03 1656 0.945E-02 0.193E-01
DAV: 10 -0.173882946969E+04 0.45644E-03 -0.21569E-03 1755 0.784E-02 0.672E-02
DAV: 11 -0.173882940527E+04 0.64425E-04 -0.60519E-04 1854 0.548E-02 0.361E-02
DAV: 12 -0.173882940905E+04 -0.37823E-05 -0.32581E-04 1647 0.299E-02 0.420E-02
DAV: 13 -0.173882937435E+04 0.34699E-04 -0.20555E-04 1575 0.204E-02 0.170E-02
DAV: 14 -0.173882936719E+04 0.71537E-05 -0.72268E-05 1278 0.137E-02
3 F= -.17388294E+04 E0= -.17388421E+04 d E =-.151547E+03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.158528612195E+04 0.15354E+03 -0.32821E+04 1404 0.257E+02 0.894E+01
DAV: 2 -0.175420042109E+04 -0.16891E+03 -0.18415E+03 1629 0.544E+01 0.362E+01
DAV: 3 -0.173315826233E+04 0.21042E+02 -0.55434E+01 1638 0.115E+01 0.191E+01
DAV: 4 -0.172545811847E+04 0.77001E+01 -0.24062E+01 1620 0.848E+00 0.780E+00
DAV: 5 -0.172504186605E+04 0.41625E+00 -0.53975E+00 1674 0.417E+00 0.608E+00
DAV: 6 -0.172469615719E+04 0.34571E+00 -0.89726E-01 1620 0.182E+00 0.294E+00
DAV: 7 -0.172447802736E+04 0.21813E+00 -0.20547E-01 1836 0.166E+00 0.109E+00
DAV: 8 -0.172441419995E+04 0.63827E-01 -0.25241E-01 1683 0.126E+00 0.754E-01
DAV: 9 -0.172439840994E+04 0.15790E-01 -0.10699E-01 1638 0.697E-01 0.568E-01
DAV: 10 -0.172439282375E+04 0.55862E-02 -0.18174E-02 1611 0.267E-01 0.350E-01
DAV: 11 -0.172438861468E+04 0.42091E-02 -0.47050E-03 1710 0.234E-01 0.809E-02
DAV: 12 -0.172438736399E+04 0.12507E-02 -0.51539E-03 1773 0.207E-01 0.131E-01
DAV: 13 -0.172438751191E+04 -0.14793E-03 -0.33333E-03 1557 0.778E-02 0.126E-01
DAV: 14 -0.172438745138E+04 0.60532E-04 -0.56202E-05 1584 0.107E-02 0.118E-01
DAV: 15 -0.172438755103E+04 -0.99642E-04 -0.54751E-05 1503 0.106E-02 0.129E-01
DAV: 16 -0.172438827753E+04 -0.72650E-03 -0.10209E-03 1710 0.562E-02 0.240E-01
DAV: 17 -0.172438934125E+04 -0.10637E-02 -0.14501E-03 1782 0.929E-02 0.379E-01
DAV: 18 -0.172439048455E+04 -0.11433E-02 -0.13842E-03 1710 0.762E-02 0.483E-01
DAV: 19 -0.172438968483E+04 0.79972E-03 -0.95767E-04 1647 0.678E-02 0.397E-01
DAV: 20 -0.172438761494E+04 0.20699E-02 -0.33406E-03 1818 0.150E-01 0.190E-01
DAV: 21 -0.172438646155E+04 0.11534E-02 -0.25616E-03 1728 0.985E-02 0.159E-01
DAV: 22 -0.172438667143E+04 -0.20988E-03 -0.61467E-04 1575 0.314E-02 0.148E-01
DAV: 23 -0.172438683990E+04 -0.16848E-03 -0.29414E-05 1224 0.177E-02 0.136E-01
DAV: 24 -0.172438770532E+04 -0.86541E-03 -0.73422E-04 2430 0.995E-02 0.102E-01
DAV: 25 -0.172438815519E+04 -0.44988E-03 -0.10835E-03 1683 0.679E-02 0.102E-01
DAV: 26 -0.172438792979E+04 0.22540E-03 -0.31938E-04 1629 0.391E-02 0.947E-02
DAV: 27 -0.172438825993E+04 -0.33013E-03 -0.14165E-04 1737 0.504E-02 0.991E-02
DAV: 28 -0.172438879271E+04 -0.53278E-03 -0.51514E-04 1926 0.692E-02 0.103E-01
DAV: 29 -0.172438882597E+04 -0.33260E-04 -0.32781E-04 1584 0.208E-02 0.121E-01
DAV: 30 -0.172438890939E+04 -0.83424E-04 -0.85351E-06 1080 0.982E-03 0.127E-01
DAV: 31 -0.172438880526E+04 0.10414E-03 -0.53825E-06 1044 0.109E-02 0.121E-01
DAV: 32 -0.172438849755E+04 0.30771E-03 -0.24908E-04 1836 0.428E-02 0.927E-02
DAV: 33 -0.172438839391E+04 0.10364E-03 -0.36044E-04 1629 0.323E-02 0.803E-02
DAV: 34 -0.172438839348E+04 0.42988E-06 -0.27182E-05 1062 0.633E-03
4 F= -.17243884E+04 E0= -.17243984E+04 d E =0.144410E+02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.173696121492E+04 -0.12573E+02 -0.98485E+03 1404 0.142E+02 0.350E+01
DAV: 2 -0.177169722545E+04 -0.34736E+02 -0.46023E+02 1620 0.264E+01 0.196E+01
DAV: 3 -0.176695417115E+04 0.47431E+01 -0.11713E+01 1647 0.570E+00 0.118E+01
DAV: 4 -0.176446740715E+04 0.24868E+01 -0.11536E+01 1629 0.631E+00 0.395E+00
DAV: 5 -0.176449323861E+04 -0.25831E-01 -0.34093E+00 1647 0.289E+00 0.387E+00
DAV: 6 -0.176443313664E+04 0.60102E-01 -0.33382E-01 1629 0.893E-01 0.250E+00
DAV: 7 -0.176435592293E+04 0.77214E-01 -0.13574E-01 1674 0.721E-01 0.103E+00
DAV: 8 -0.176433766521E+04 0.18258E-01 -0.31317E-02 1818 0.573E-01 0.453E-01
DAV: 9 -0.176433162476E+04 0.60405E-02 -0.25272E-02 1755 0.440E-01 0.205E-01
DAV: 10 -0.176433071649E+04 0.90827E-03 -0.12088E-02 1638 0.213E-01 0.172E-01
DAV: 11 -0.176433030151E+04 0.41498E-03 -0.16180E-03 1647 0.877E-02 0.120E-01
DAV: 12 -0.176432992811E+04 0.37341E-03 -0.42609E-04 1872 0.879E-02 0.601E-02
DAV: 13 -0.176432981986E+04 0.10825E-03 -0.60479E-04 1764 0.705E-02 0.335E-02
DAV: 14 -0.176432985106E+04 -0.31194E-04 -0.50066E-04 1557 0.315E-02 0.407E-02
DAV: 15 -0.176432984268E+04 0.83776E-05 -0.35527E-05 1386 0.866E-03
5 F= -.17643298E+04 E0= -.17643337E+04 d E =-.255005E+02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.174566806905E+04 0.18662E+02 -0.67473E+03 1404 0.117E+02 0.304E+01
DAV: 2 -0.176347077259E+04 -0.17803E+02 -0.21318E+02 1638 0.193E+01 0.125E+01
DAV: 3 -0.176078627370E+04 0.26845E+01 -0.60468E+00 1647 0.424E+00 0.719E+00
DAV: 4 -0.175976561455E+04 0.10207E+01 -0.39264E+00 1638 0.380E+00 0.235E+00
DAV: 5 -0.175975876265E+04 0.68519E-02 -0.11526E+00 1647 0.185E+00 0.210E+00
DAV: 6 -0.175973778343E+04 0.20979E-01 -0.21029E-01 1611 0.730E-01 0.132E+00
DAV: 7 -0.175971554932E+04 0.22234E-01 -0.16623E-02 1674 0.481E-01 0.692E-01
DAV: 8 -0.175970378913E+04 0.11760E-01 -0.25106E-02 1755 0.520E-01 0.297E-01
DAV: 9 -0.175970094022E+04 0.28489E-02 -0.18992E-02 1836 0.361E-01 0.127E-01
DAV: 10 -0.175970165802E+04 -0.71779E-03 -0.92900E-03 1566 0.129E-01 0.179E-01
DAV: 11 -0.175970154950E+04 0.10851E-03 -0.17750E-04 1656 0.204E-02 0.156E-01
DAV: 12 -0.175970124962E+04 0.29988E-03 -0.61365E-04 1647 0.450E-02 0.650E-02
DAV: 13 -0.175970115172E+04 0.97897E-04 -0.32311E-04 1656 0.521E-02 0.422E-02
DAV: 14 -0.175970114779E+04 0.39263E-05 -0.23676E-04 1638 0.282E-02 0.195E-02
DAV: 15 -0.175970115144E+04 -0.36467E-05 -0.39900E-05 1296 0.831E-03
6 F= -.17597012E+04 E0= -.17597050E+04 d E =0.462869E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.176829338782E+04 -0.85922E+01 -0.19945E+03 1404 0.640E+01 0.148E+01
DAV: 2 -0.177296159547E+04 -0.46682E+01 -0.63238E+01 1647 0.103E+01 0.742E+00
DAV: 3 -0.177221607648E+04 0.74552E+00 -0.17748E+00 1647 0.231E+00 0.459E+00
DAV: 4 -0.177188679506E+04 0.32928E+00 -0.14926E+00 1629 0.230E+00 0.162E+00
DAV: 5 -0.177188327749E+04 0.35176E-02 -0.43946E-01 1665 0.116E+00 0.130E+00
DAV: 6 -0.177187674812E+04 0.65294E-02 -0.98286E-02 1620 0.496E-01 0.732E-01
DAV: 7 -0.177187053622E+04 0.62119E-02 -0.82824E-03 1683 0.255E-01 0.396E-01
DAV: 8 -0.177186746042E+04 0.30758E-02 -0.55253E-03 1755 0.256E-01 0.167E-01
DAV: 9 -0.177186658121E+04 0.87921E-03 -0.38531E-03 1773 0.160E-01 0.848E-02
DAV: 10 -0.177186658418E+04 -0.29777E-05 -0.20627E-03 1620 0.699E-02 0.856E-02
DAV: 11 -0.177186652772E+04 0.56464E-04 -0.92413E-05 1656 0.186E-02 0.630E-02
DAV: 12 -0.177186638987E+04 0.13785E-03 -0.35534E-04 1665 0.599E-02 0.266E-02
DAV: 13 -0.177186638620E+04 0.36783E-05 -0.14809E-04 1638 0.233E-02 0.198E-02
DAV: 14 -0.177186638875E+04 -0.25586E-05 -0.78229E-05 1530 0.119E-02
7 F= -.17718664E+04 E0= -.17718703E+04 d E =-.753655E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.176998006501E+04 0.18863E+01 -0.25392E+03 1404 0.724E+01 0.203E+01
DAV: 2 -0.177588296507E+04 -0.59029E+01 -0.73810E+01 1647 0.112E+01 0.692E+00
DAV: 3 -0.177493927710E+04 0.94369E+00 -0.20170E+00 1647 0.260E+00 0.408E+00
DAV: 4 -0.177457403907E+04 0.36524E+00 -0.15921E+00 1620 0.240E+00 0.141E+00
DAV: 5 -0.177457361301E+04 0.42606E-03 -0.42480E-01 1674 0.111E+00 0.126E+00
DAV: 6 -0.177456474861E+04 0.88644E-02 -0.88715E-02 1620 0.464E-01 0.743E-01
DAV: 7 -0.177455768704E+04 0.70616E-02 -0.42422E-03 1782 0.275E-01 0.418E-01
DAV: 8 -0.177455284184E+04 0.48452E-02 -0.82916E-03 1755 0.330E-01 0.155E-01
DAV: 9 -0.177455220848E+04 0.63336E-03 -0.72190E-03 1773 0.202E-01 0.680E-02
DAV: 10 -0.177455243789E+04 -0.22942E-03 -0.27902E-03 1566 0.711E-02 0.114E-01
DAV: 11 -0.177455241065E+04 0.27240E-04 -0.40856E-05 1476 0.970E-03 0.104E-01
DAV: 12 -0.177455232253E+04 0.88120E-04 -0.21793E-04 1620 0.242E-02 0.572E-02
DAV: 13 -0.177455229740E+04 0.25133E-04 -0.23817E-04 1647 0.274E-02 0.379E-02
DAV: 14 -0.177455228576E+04 0.11647E-04 -0.45746E-05 1422 0.168E-02 0.313E-02
DAV: 15 -0.177455228258E+04 0.31763E-05 -0.43875E-05 1377 0.958E-03
8 F= -.17745523E+04 E0= -.17745562E+04 d E =-.268589E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.177548084529E+04 -0.92856E+00 -0.33954E+02 1404 0.265E+01 0.675E+00
DAV: 2 -0.177617103390E+04 -0.69019E+00 -0.90302E+00 1647 0.395E+00 0.247E+00
DAV: 3 -0.177604856874E+04 0.12247E+00 -0.23324E-01 1656 0.885E-01 0.144E+00
DAV: 4 -0.177599964840E+04 0.48920E-01 -0.18577E-01 1620 0.836E-01 0.426E-01
DAV: 5 -0.177600198731E+04 -0.23389E-02 -0.63539E-02 1665 0.408E-01 0.481E-01
DAV: 6 -0.177600115559E+04 0.83172E-03 -0.81968E-03 1620 0.141E-01 0.317E-01
DAV: 7 -0.177600021722E+04 0.93838E-03 -0.55917E-04 1656 0.795E-02 0.199E-01
DAV: 8 -0.177599961260E+04 0.60462E-03 -0.11788E-03 1692 0.105E-01 0.732E-02
DAV: 9 -0.177599950634E+04 0.10626E-03 -0.77240E-04 1845 0.679E-02 0.282E-02
DAV: 10 -0.177599953147E+04 -0.25131E-04 -0.33123E-04 1575 0.244E-02 0.359E-02
DAV: 11 -0.177599952685E+04 0.46184E-05 -0.75418E-06 918 0.456E-03
9 F= -.17759995E+04 E0= -.17760034E+04 d E =-.413314E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.177600204986E+04 -0.25184E-02 -0.17631E+03 1404 0.605E+01 0.139E+01
DAV: 2 -0.177948297599E+04 -0.34809E+01 -0.44008E+01 1647 0.875E+00 0.533E+00
DAV: 3 -0.177898078652E+04 0.50219E+00 -0.12039E+00 1647 0.193E+00 0.326E+00
DAV: 4 -0.177875400038E+04 0.22679E+00 -0.75419E-01 1629 0.174E+00 0.105E+00
DAV: 5 -0.177875818225E+04 -0.41819E-02 -0.28450E-01 1656 0.933E-01 0.950E-01
DAV: 6 -0.177875452032E+04 0.36619E-02 -0.51050E-02 1620 0.368E-01 0.639E-01
DAV: 7 -0.177874980867E+04 0.47117E-02 -0.33064E-03 1674 0.200E-01 0.379E-01
DAV: 8 -0.177874641287E+04 0.33958E-02 -0.57843E-03 1701 0.261E-01 0.153E-01
DAV: 9 -0.177874592235E+04 0.49052E-03 -0.55376E-03 1809 0.179E-01 0.724E-02
DAV: 10 -0.177874612004E+04 -0.19769E-03 -0.23236E-03 1557 0.631E-02 0.886E-02
DAV: 11 -0.177874606605E+04 0.53987E-04 -0.64318E-05 1620 0.143E-02 0.648E-02
DAV: 12 -0.177874601101E+04 0.55049E-04 -0.52092E-04 1647 0.418E-02 0.357E-02
DAV: 13 -0.177874600137E+04 0.96348E-05 -0.84917E-05 1647 0.202E-02
10 F= -.17787460E+04 E0= -.17787499E+04 d E =-.274647E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.177892811502E+04 -0.18210E+00 -0.10711E+02 1404 0.149E+01 0.328E+00
DAV: 2 -0.177911625478E+04 -0.18814E+00 -0.24288E+00 1647 0.207E+00 0.125E+00
DAV: 3 -0.177908698671E+04 0.29268E-01 -0.61977E-02 1647 0.459E-01 0.750E-01
DAV: 4 -0.177907394218E+04 0.13045E-01 -0.42298E-02 1629 0.439E-01 0.210E-01
DAV: 5 -0.177907482795E+04 -0.88577E-03 -0.18782E-02 1647 0.223E-01 0.242E-01
DAV: 6 -0.177907457260E+04 0.25535E-03 -0.21304E-03 1620 0.730E-02 0.170E-01
DAV: 7 -0.177907428172E+04 0.29088E-03 -0.16807E-04 1665 0.408E-02 0.107E-01
DAV: 8 -0.177907406013E+04 0.22160E-03 -0.39140E-04 1665 0.610E-02 0.371E-02
DAV: 9 -0.177907403646E+04 0.23662E-04 -0.32813E-04 1827 0.448E-02 0.190E-02