./transitionstate2 OSZICAR.out output for 41: 3.3A-->1.3A (Job 121) O-H...N hydrogen bond by TSA-OH, TSA-NH2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.284562308811E+03 0.28456E+03 -0.14244E+04 376 0.704E+02
DAV: 2 0.310640706218E+02 -0.25350E+03 -0.24528E+03 528 0.135E+02
DAV: 3 -0.428304977752E+02 -0.73895E+02 -0.63275E+02 516 0.667E+01
DAV: 4 -0.572407791945E+02 -0.14410E+02 -0.10863E+02 608 0.241E+01
DAV: 5 -0.588752239579E+02 -0.16344E+01 -0.15389E+01 560 0.930E+00 0.261E+01
DAV: 6 -0.115268954328E+03 -0.56394E+02 -0.66189E+02 648 0.428E+01 0.475E+01
DAV: 7 -0.528369980504E+02 0.62432E+02 -0.55544E+01 536 0.177E+01 0.275E+01
DAV: 8 -0.465535298190E+02 0.62835E+01 -0.36739E+01 608 0.144E+01 0.244E+01
DAV: 9 -0.442879063699E+02 0.22656E+01 -0.50193E+00 625 0.565E+00 0.233E+01
DAV: 10 -0.409520900427E+02 0.33358E+01 -0.24376E+00 666 0.247E+00 0.206E+01
DAV: 11 -0.458236025898E+02 -0.48715E+01 -0.76575E+01 681 0.562E+00 0.236E+01
DAV: 12 -0.448866726450E+02 0.93693E+00 -0.11473E+01 576 0.716E+00 0.214E+01
DAV: 13 -0.421751831931E+02 0.27115E+01 -0.51835E+00 584 0.476E+00 0.315E+01
DAV: 14 -0.402306062751E+02 0.19446E+01 -0.33467E+00 561 0.231E+00 0.170E+01
DAV: 15 -0.400152448114E+02 0.21536E+00 -0.50151E+00 656 0.288E+00 0.172E+01
DAV: 16 -0.409996734621E+02 -0.98443E+00 -0.44576E+00 627 0.193E+00 0.211E+01
DAV: 17 -0.394113769667E+02 0.15883E+01 -0.38632E+00 688 0.156E+00 0.957E+00
DAV: 18 -0.395575206937E+02 -0.14614E+00 -0.18227E+00 594 0.157E+00 0.125E+01
DAV: 19 -0.397093209365E+02 -0.15180E+00 -0.29441E+00 640 0.115E+00 0.145E+01
DAV: 20 -0.393652171258E+02 0.34410E+00 -0.11638E-01 427 0.720E-01 0.118E+01
DAV: 21 -0.396482598977E+02 -0.28304E+00 -0.85657E-01 632 0.844E-01 0.126E+01
DAV: 22 -0.394579268719E+02 0.19033E+00 -0.85805E-01 648 0.955E-01 0.128E+01
DAV: 23 -0.392533538176E+02 0.20457E+00 -0.10614E+00 616 0.960E-01 0.916E+00
DAV: 24 -0.391472914720E+02 0.10606E+00 -0.27816E-01 688 0.711E-01 0.684E+00
DAV: 25 -0.391693248853E+02 -0.22033E-01 -0.43902E-01 640 0.603E-01 0.772E+00
DAV: 26 -0.392188201648E+02 -0.49495E-01 -0.10066E-01 513 0.467E-01 0.113E+01
DAV: 27 -0.391687443253E+02 0.50076E-01 -0.74934E-03 600 0.235E-01 0.100E+01
DAV: 28 -0.390753074036E+02 0.93437E-01 -0.62143E-01 688 0.524E-01 0.390E+00
DAV: 29 -0.392175911913E+02 -0.14228E+00 -0.16722E-01 460 0.565E-01 0.951E+00
DAV: 30 -0.390837859939E+02 0.13381E+00 -0.41492E-01 648 0.596E-01 0.230E+00
DAV: 31 -0.392001336923E+02 -0.11635E+00 -0.22030E-01 608 0.512E-01 0.739E+00
DAV: 32 -0.391265259765E+02 0.73608E-01 -0.21214E-01 542 0.420E-01 0.655E+00
DAV: 33 -0.391052503758E+02 0.21276E-01 -0.24828E-01 688 0.388E-01 0.282E+00
DAV: 34 -0.391159829637E+02 -0.10733E-01 -0.31215E-02 404 0.311E-01 0.143E+00
DAV: 35 -0.391178703841E+02 -0.18874E-02 -0.35135E-02 602 0.181E-01 0.151E+00
DAV: 36 -0.391203343694E+02 -0.24640E-02 -0.42494E-02 624 0.164E-01 0.182E+00
DAV: 37 -0.391199700886E+02 0.36428E-03 -0.71953E-03 523 0.122E-01 0.150E+00
DAV: 38 -0.391172614743E+02 0.27086E-02 -0.19346E-03 464 0.692E-02 0.651E-01
DAV: 39 -0.391186966284E+02 -0.14352E-02 -0.23451E-03 539 0.662E-02 0.424E-01
DAV: 40 -0.391191370350E+02 -0.44041E-03 -0.26278E-04 432 0.551E-02 0.230E-01
DAV: 41 -0.391192959490E+02 -0.15891E-03 -0.10558E-03 562 0.281E-02 0.334E-01
DAV: 42 -0.391192396930E+02 0.56256E-04 -0.48388E-04 384 0.284E-02 0.626E-02
DAV: 43 -0.391193241833E+02 -0.84490E-04 -0.25658E-05 282 0.146E-02 0.235E-02
DAV: 44 -0.391193579423E+02 -0.33759E-04 -0.16817E-05 272 0.809E-03 0.520E-02
DAV: 45 -0.391193887777E+02 -0.30835E-04 -0.46458E-05 258 0.914E-03 0.127E-01
DAV: 46 -0.391193644010E+02 0.24377E-04 -0.35591E-05 251 0.832E-03 0.347E-02
DAV: 47 -0.391193879979E+02 -0.23597E-04 -0.30675E-05 258 0.743E-03 0.687E-02
DAV: 48 -0.391193853114E+02 0.26865E-05 -0.15185E-05 244 0.656E-03
1 F= -.39119385E+02 E0= -.39015202E+02 d E =-.391194E+02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.432723331218E+02 -0.41529E+01 -0.38200E+02 376 0.723E+01 0.114E+01
DAV: 2 -0.527145282907E+02 -0.94422E+01 -0.43717E+01 617 0.152E+01 0.318E+01
DAV: 3 -0.488411707093E+02 0.38734E+01 -0.10039E+01 539 0.606E+00 0.195E+01
DAV: 4 -0.476389582812E+02 0.12022E+01 -0.20827E+01 624 0.617E+00 0.225E+01
DAV: 5 -0.473813658804E+02 0.25759E+00 -0.99806E+00 577 0.623E+00 0.200E+01
DAV: 6 -0.449605762074E+02 0.24208E+01 -0.46657E+00 613 0.370E+00 0.162E+01
DAV: 7 -0.443552128882E+02 0.60536E+00 -0.10338E+00 586 0.171E+00 0.632E+00
DAV: 8 -0.445597172896E+02 -0.20450E+00 -0.13439E+00 641 0.111E+00 0.148E+01
DAV: 9 -0.443316954274E+02 0.22802E+00 -0.59443E-01 592 0.765E-01 0.554E+00
DAV: 10 -0.444442537863E+02 -0.11256E+00 -0.11232E+00 649 0.746E-01 0.121E+01
DAV: 11 -0.443612221973E+02 0.83032E-01 -0.81897E-01 648 0.802E-01 0.707E+00
DAV: 12 -0.443694593881E+02 -0.82372E-02 -0.60124E-01 640 0.658E-01 0.502E+00
DAV: 13 -0.443559300458E+02 0.13529E-01 -0.45291E-01 624 0.712E-01 0.472E+00
DAV: 14 -0.443301179407E+02 0.25812E-01 -0.42288E-01 656 0.617E-01 0.359E+00
DAV: 15 -0.443333704565E+02 -0.32525E-02 -0.20538E-01 656 0.502E-01 0.358E+00
DAV: 16 -0.443184472093E+02 0.14923E-01 -0.57067E-02 640 0.299E-01 0.137E+00
DAV: 17 -0.443311144404E+02 -0.12667E-01 -0.68261E-02 648 0.268E-01 0.349E+00
DAV: 18 -0.443160985620E+02 0.15016E-01 -0.40833E-02 635 0.198E-01 0.123E+00
DAV: 19 -0.443187846452E+02 -0.26861E-02 -0.20613E-02 649 0.162E-01 0.143E+00
DAV: 20 -0.443183532488E+02 0.43140E-03 -0.13589E-02 576 0.172E-01 0.197E-01
DAV: 21 -0.443197212670E+02 -0.13680E-02 -0.45496E-03 530 0.973E-02 0.100E+00
DAV: 22 -0.443189621983E+02 0.75907E-03 -0.13151E-02 554 0.927E-02 0.807E-01
DAV: 23 -0.443191293547E+02 -0.16716E-03 -0.80718E-03 584 0.790E-02 0.497E-01
DAV: 24 -0.443190388529E+02 0.90502E-04 -0.37697E-03 577 0.542E-02 0.337E-01
DAV: 25 -0.443190283925E+02 0.10460E-04 -0.11537E-03 386 0.359E-02 0.119E-01
DAV: 26 -0.443190619461E+02 -0.33554E-04 -0.83341E-05 259 0.189E-02 0.470E-02
DAV: 27 -0.443190876026E+02 -0.25657E-04 -0.26033E-05 251 0.935E-03 0.725E-02
DAV: 28 -0.443190939191E+02 -0.63165E-05 -0.42495E-05 251 0.739E-03
2 F= -.44319094E+02 E0= -.44200044E+02 d E =-.519971E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.479763246449E+02 -0.36572E+01 -0.24656E+02 376 0.562E+01 0.861E+00
DAV: 2 -0.599729416902E+02 -0.11997E+02 -0.53582E+01 656 0.149E+01 0.264E+01
DAV: 3 -0.519055637699E+02 0.80674E+01 -0.94813E+00 484 0.694E+00 0.212E+01
DAV: 4 -0.503946183993E+02 0.15109E+01 -0.45107E+00 624 0.367E+00 0.296E+01
DAV: 5 -0.494086773671E+02 0.98594E+00 -0.13057E+01 571 0.216E+00 0.154E+01
DAV: 6 -0.497076447402E+02 -0.29897E+00 -0.70598E+00 529 0.309E+00 0.181E+01
DAV: 7 -0.491236914331E+02 0.58395E+00 -0.38644E+00 616 0.243E+00 0.143E+01
DAV: 8 -0.487672914494E+02 0.35640E+00 -0.67384E-01 461 0.120E+00 0.954E+00
DAV: 9 -0.486922639477E+02 0.75028E-01 -0.89198E-01 640 0.677E-01 0.440E+00
DAV: 10 -0.486718493217E+02 0.20415E-01 -0.18483E-01 545 0.611E-01 0.298E+00
DAV: 11 -0.486869330364E+02 -0.15084E-01 -0.11408E-01 610 0.373E-01 0.238E+00
DAV: 12 -0.487196107378E+02 -0.32678E-01 -0.36018E-01 632 0.440E-01 0.441E+00
DAV: 13 -0.486736317054E+02 0.45979E-01 -0.29799E-01 592 0.479E-01 0.426E+00
DAV: 14 -0.486664242968E+02 0.72074E-02 -0.56081E-02 624 0.389E-01 0.143E+00
DAV: 15 -0.486683860460E+02 -0.19617E-02 -0.31883E-02 617 0.223E-01 0.735E-01
DAV: 16 -0.486736726112E+02 -0.52866E-02 -0.44346E-02 592 0.251E-01 0.197E+00
DAV: 17 -0.486666430238E+02 0.70296E-02 -0.15923E-02 545 0.173E-01 0.956E-01
DAV: 18 -0.486704267006E+02 -0.37837E-02 -0.54375E-03 624 0.101E-01 0.160E+00
DAV: 19 -0.486672459733E+02 0.31807E-02 -0.41482E-03 617 0.767E-02 0.704E-01
DAV: 20 -0.486679627536E+02 -0.71678E-03 -0.34842E-03 624 0.689E-02 0.354E-01
DAV: 21 -0.486686960887E+02 -0.73334E-03 -0.44644E-04 450 0.687E-02 0.131E-01
DAV: 22 -0.486689108375E+02 -0.21475E-03 -0.15576E-04 488 0.298E-02 0.144E-01
DAV: 23 -0.486689074870E+02 0.33505E-05 -0.72544E-05 345 0.206E-02
3 F= -.48668907E+02 E0= -.48541233E+02 d E =-.434981E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.512597062619E+02 -0.25908E+01 -0.90772E+01 376 0.358E+01 0.738E+00
DAV: 2 -0.649111064348E+02 -0.13651E+02 -0.88409E+01 611 0.132E+01 0.265E+01
DAV: 3 -0.576131683801E+02 0.72979E+01 -0.93478E+00 556 0.667E+00 0.228E+01
DAV: 4 -0.552050807037E+02 0.24081E+01 -0.34913E+00 553 0.356E+00 0.315E+01
DAV: 5 -0.529877233914E+02 0.22174E+01 -0.11872E+01 544 0.186E+00 0.180E+01
DAV: 6 -0.521872140828E+02 0.80051E+00 -0.12947E+00 595 0.129E+00 0.147E+01
DAV: 7 -0.516615248878E+02 0.52569E+00 -0.10141E+00 640 0.844E-01 0.120E+01
DAV: 8 -0.513531923526E+02 0.30833E+00 -0.10142E+00 578 0.736E-01 0.328E+00
DAV: 9 -0.514895083829E+02 -0.13632E+00 -0.11252E+00 521 0.815E-01 0.699E+00
DAV: 10 -0.514413521402E+02 0.48156E-01 -0.92463E-01 640 0.711E-01 0.360E+00
DAV: 11 -0.514609854713E+02 -0.19633E-01 -0.41129E-01 617 0.483E-01 0.621E+00
DAV: 12 -0.514077046793E+02 0.53281E-01 -0.10876E-01 592 0.386E-01 0.366E+00
DAV: 13 -0.513967192672E+02 0.10985E-01 -0.89519E-02 632 0.286E-01 0.120E+00
DAV: 14 -0.514088531353E+02 -0.12134E-01 -0.40558E-02 578 0.281E-01 0.193E+00
DAV: 15 -0.514065486740E+02 0.23045E-02 -0.64953E-03 464 0.211E-01 0.119E+00
DAV: 16 -0.514065096041E+02 0.39070E-04 -0.12752E-02 609 0.153E-01 0.566E-01
DAV: 17 -0.514067451503E+02 -0.23555E-03 -0.31775E-03 552 0.141E-01 0.226E-01
DAV: 18 -0.514075098105E+02 -0.76466E-03 -0.32771E-03 560 0.712E-02 0.675E-01
DAV: 19 -0.514064901306E+02 0.10197E-02 -0.19251E-03 450 0.795E-02 0.817E-02
DAV: 20 -0.514069611989E+02 -0.47107E-03 -0.16145E-04 505 0.466E-02 0.832E-02
DAV: 21 -0.514070540720E+02 -0.92873E-04 -0.76028E-05 377 0.218E-02 0.159E-01
DAV: 22 -0.514070070015E+02 0.47071E-04 -0.69652E-05 244 0.152E-02 0.471E-02
DAV: 23 -0.514070430865E+02 -0.36085E-04 -0.72069E-06 258 0.108E-02 0.362E-02
DAV: 24 -0.514070647600E+02 -0.21673E-04 -0.52520E-05 251 0.789E-03 0.723E-02
DAV: 25 -0.514070626125E+02 0.21476E-05 -0.69707E-06 216 0.105E-02
4 F= -.51407063E+02 E0= -.51272545E+02 d E =-.273816E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.354550019736E+02 0.15952E+02 -0.11743E+03 376 0.128E+02 0.372E+01
DAV: 2 -0.113408508466E+03 -0.77954E+02 -0.69265E+02 568 0.375E+01 0.469E+01
DAV: 3 -0.647646503031E+02 0.48644E+02 -0.17787E+02 528 0.300E+01 0.332E+01
DAV: 4 -0.505564983363E+02 0.14208E+02 -0.60331E+01 507 0.211E+01 0.283E+01
DAV: 5 -0.475047406898E+02 0.30518E+01 -0.11700E+01 632 0.749E+00 0.337E+01
DAV: 6 -0.458653952776E+02 0.16393E+01 -0.21823E+01 672 0.816E+00 0.250E+01
DAV: 7 -0.422304913199E+02 0.36349E+01 -0.72124E+00 617 0.404E+00 0.158E+01
DAV: 8 -0.420829988855E+02 0.14749E+00 -0.60283E+00 656 0.345E+00 0.172E+01
DAV: 9 -0.414533334128E+02 0.62967E+00 -0.18854E+00 610 0.184E+00 0.113E+01
DAV: 10 -0.418637349547E+02 -0.41040E+00 -0.39247E+00 672 0.130E+00 0.151E+01
DAV: 11 -0.414567579567E+02 0.40698E+00 -0.54447E-01 617 0.106E+00 0.154E+01
DAV: 12 -0.414282175096E+02 0.28540E-01 -0.18033E+00 616 0.115E+00 0.117E+01
DAV: 13 -0.414364478287E+02 -0.82303E-02 -0.81692E-01 674 0.916E-01 0.131E+01
DAV: 14 -0.412728946595E+02 0.16355E+00 -0.22537E+00 688 0.128E+00 0.983E+00
DAV: 15 -0.411608925719E+02 0.11200E+00 -0.27247E-01 546 0.808E-01 0.660E+00
DAV: 16 -0.413264130774E+02 -0.16552E+00 -0.58187E-01 688 0.609E-01 0.982E+00
DAV: 17 -0.412938513106E+02 0.32562E-01 -0.12079E-01 688 0.447E-01 0.100E+01
DAV: 18 -0.411742142630E+02 0.11964E+00 -0.18033E-01 688 0.426E-01 0.703E+00
DAV: 19 -0.411756981548E+02 -0.14839E-02 -0.55905E-02 624 0.346E-01 0.565E+00
DAV: 20 -0.411601825940E+02 0.15516E-01 -0.45854E-02 649 0.255E-01 0.389E+00
DAV: 21 -0.412707974166E+02 -0.11061E+00 -0.28415E-01 688 0.432E-01 0.809E+00
DAV: 22 -0.411719148437E+02 0.98883E-01 -0.75106E-02 596 0.275E-01 0.504E+00
DAV: 23 -0.411694458067E+02 0.24690E-02 -0.15563E-02 688 0.154E-01 0.408E+00
DAV: 24 -0.411687574908E+02 0.68832E-03 -0.12192E-02 557 0.131E-01 0.366E+00
DAV: 25 -0.411554111928E+02 0.13346E-01 -0.38308E-02 688 0.144E-01 0.150E+00
DAV: 26 -0.411613975180E+02 -0.59863E-02 -0.75307E-03 383 0.167E-01 0.664E-01
DAV: 27 -0.411654475047E+02 -0.40500E-02 -0.69170E-03 576 0.107E-01 0.105E+00
DAV: 28 -0.411642878990E+02 0.11596E-02 -0.28152E-03 483 0.650E-02 0.636E-01
DAV: 29 -0.411643811289E+02 -0.93230E-04 -0.10225E-03 624 0.397E-02 0.426E-01
DAV: 30 -0.411642991234E+02 0.82006E-04 -0.64143E-04 576 0.359E-02 0.801E-02
DAV: 31 -0.411645763508E+02 -0.27723E-03 -0.11879E-04 432 0.375E-02 0.190E-01
DAV: 32 -0.411645234871E+02 0.52864E-04 -0.55293E-05 258 0.983E-03 0.750E-02
DAV: 33 -0.411645535790E+02 -0.30092E-04 -0.59907E-05 275 0.113E-02 0.377E-02
DAV: 34 -0.411645830900E+02 -0.29511E-04 -0.37562E-05 316 0.130E-02 0.103E-01
DAV: 35 -0.411645600852E+02 0.23005E-04 -0.33635E-05 202 0.908E-03 0.271E-02
DAV: 36 -0.411645688504E+02 -0.87652E-05 -0.56802E-06 188 0.703E-03
5 F= -.41164569E+02 E0= -.41060652E+02 d E =0.102425E+02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.423704241295E+02 -0.12059E+01 -0.97935E+01 376 0.385E+01 0.705E+00
DAV: 2 -0.550232909040E+02 -0.12653E+02 -0.55978E+01 624 0.116E+01 0.263E+01
DAV: 3 -0.495362458119E+02 0.54870E+01 -0.18578E+01 672 0.789E+00 0.352E+01
DAV: 4 -0.444163839486E+02 0.51199E+01 -0.26541E+00 608 0.355E+00 0.222E+01
DAV: 5 -0.429922170082E+02 0.14242E+01 -0.99340E-01 594 0.178E+00 0.119E+01
DAV: 6 -0.432969631230E+02 -0.30475E+00 -0.48229E+00 656 0.193E+00 0.169E+01
DAV: 7 -0.426265107459E+02 0.67045E+00 -0.19151E+00 592 0.143E+00 0.675E+00
DAV: 8 -0.425719997743E+02 0.54511E-01 -0.63688E-01 624 0.957E-01 0.375E+00
DAV: 9 -0.425846814215E+02 -0.12682E-01 -0.32085E-01 603 0.608E-01 0.428E+00
DAV: 10 -0.425626024182E+02 0.22079E-01 -0.16555E-01 656 0.416E-01 0.131E+00
DAV: 11 -0.425746046535E+02 -0.12002E-01 -0.78767E-02 656 0.345E-01 0.225E+00
DAV: 12 -0.425618909915E+02 0.12714E-01 -0.78313E-02 656 0.279E-01 0.813E-01
DAV: 13 -0.425689494172E+02 -0.70584E-02 -0.37957E-02 624 0.229E-01 0.131E+00
DAV: 14 -0.425651443474E+02 0.38051E-02 -0.21754E-02 621 0.172E-01 0.559E-01
DAV: 15 -0.425682882723E+02 -0.31439E-02 -0.15533E-02 656 0.161E-01 0.142E+00
DAV: 16 -0.425643984598E+02 0.38898E-02 -0.99152E-03 610 0.131E-01 0.195E-01
DAV: 17 -0.425661982798E+02 -0.17998E-02 -0.32727E-03 656 0.874E-02 0.772E-01
DAV: 18 -0.425652491637E+02 0.94912E-03 -0.23604E-03 541 0.643E-02 0.134E-01
DAV: 19 -0.425654825427E+02 -0.23338E-03 -0.28648E-04 576 0.387E-02 0.458E-02
DAV: 20 -0.425655792480E+02 -0.96705E-04 -0.11452E-04 352 0.226E-02 0.116E-01
DAV: 21 -0.425655969402E+02 -0.17692E-04 -0.11949E-04 272 0.176E-02 0.544E-02
DAV: 22 -0.425656465525E+02 -0.49612E-04 -0.22857E-05 216 0.143E-02 0.867E-02
DAV: 23 -0.425656570748E+02 -0.10522E-04 -0.17928E-05 188 0.824E-03 0.840E-02
DAV: 24 -0.425656718677E+02 -0.14793E-04 -0.47112E-05 209 0.791E-03 0.257E-02
DAV: 25 -0.425656909356E+02 -0.19068E-04 -0.76007E-06 188 0.872E-03 0.403E-02
DAV: 26 -0.425656986492E+02 -0.77136E-05 -0.91076E-06 188 0.489E-03
6 F= -.42565699E+02 E0= -.42452116E+02 d E =-.140113E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.417771294371E+02 0.78856E+00 -0.74938E+00 376 0.107E+01 0.252E+00
DAV: 2 -0.445433178156E+02 -0.27662E+01 -0.11180E+01 624 0.400E+00 0.252E+01
DAV: 3 -0.430112610568E+02 0.15321E+01 -0.40024E+00 688 0.263E+00 0.154E+01
DAV: 4 -0.423272556989E+02 0.68401E+00 -0.26223E+00 592 0.228E+00 0.140E+01
DAV: 5 -0.418051046768E+02 0.52215E+00 -0.12136E+00 613 0.148E+00 0.719E+00
DAV: 6 -0.418550663367E+02 -0.49962E-01 -0.11364E+00 538 0.812E-01 0.888E+00
DAV: 7 -0.417780895601E+02 0.76977E-01 -0.37420E-01 640 0.534E-01 0.305E+00
DAV: 8 -0.417727079243E+02 0.53816E-02 -0.18620E-01 648 0.357E-01 0.102E+00
DAV: 9 -0.417756302181E+02 -0.29223E-02 -0.45950E-02 624 0.254E-01 0.733E-01
DAV: 10 -0.417752388078E+02 0.39141E-03 -0.12105E-02 656 0.168E-01 0.532E-01
DAV: 11 -0.417751366364E+02 0.10217E-03 -0.54977E-03 641 0.111E-01 0.476E-01
DAV: 12 -0.417746241840E+02 0.51245E-03 -0.36687E-03 624 0.792E-02 0.193E-01
DAV: 13 -0.417746026707E+02 0.21513E-04 -0.11684E-03 688 0.642E-02 0.132E-01
DAV: 14 -0.417747135925E+02 -0.11092E-03 -0.69723E-04 596 0.418E-02 0.124E-01
DAV: 15 -0.417746670506E+02 0.46542E-04 -0.37350E-04 592 0.318E-02 0.714E-02
DAV: 16 -0.417746522505E+02 0.14800E-04 -0.55356E-05 394 0.191E-02 0.567E-02
DAV: 17 -0.417746582582E+02 -0.60078E-05 -0.37193E-05 266 0.119E-02
7 F= -.41774658E+02 E0= -.41664053E+02 d E =0.791040E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.385877119220E+02 0.31869E+01 -0.16773E+02 376 0.517E+01 0.797E+00
DAV: 2 -0.502496163528E+02 -0.11662E+02 -0.61798E+01 624 0.128E+01 0.358E+01
DAV: 3 -0.458818298970E+02 0.43678E+01 -0.29136E+01 608 0.673E+00 0.234E+01
DAV: 4 -0.434819802027E+02 0.23998E+01 -0.18816E+01 564 0.648E+00 0.240E+01
DAV: 5 -0.395636117099E+02 0.39184E+01 -0.35129E+00 621 0.343E+00 0.139E+01
DAV: 6 -0.394063912082E+02 0.15722E+00 -0.15187E+00 513 0.157E+00 0.103E+01
DAV: 7 -0.392097916138E+02 0.19660E+00 -0.22247E+00 624 0.160E+00 0.107E+01
DAV: 8 -0.391657709575E+02 0.44021E-01 -0.19959E+00 660 0.109E+00 0.830E+00
DAV: 9 -0.390072012276E+02 0.15857E+00 -0.55375E-01 656 0.927E-01 0.336E+00
DAV: 10 -0.390156868267E+02 -0.84856E-02 -0.15132E-01 673 0.577E-01 0.205E+00
DAV: 11 -0.390337761322E+02 -0.18089E-01 -0.66033E-02 656 0.378E-01 0.306E+00
DAV: 12 -0.390121354099E+02 0.21641E-01 -0.54832E-02 624 0.343E-01 0.177E+00
DAV: 13 -0.390204182448E+02 -0.82828E-02 -0.60024E-02 649 0.371E-01 0.211E+00
DAV: 14 -0.390107419654E+02 0.96763E-02 -0.13879E-02 536 0.301E-01 0.114E+00
DAV: 15 -0.390176034077E+02 -0.68614E-02 -0.12790E-02 617 0.130E-01 0.213E+00
DAV: 16 -0.390132826897E+02 0.43207E-02 -0.69247E-03 656 0.122E-01 0.159E+00
DAV: 17 -0.390108851380E+02 0.23976E-02 -0.83507E-03 617 0.113E-01 0.679E-01
DAV: 18 -0.390128843478E+02 -0.19992E-02 -0.25160E-03 649 0.114E-01 0.157E-01
DAV: 19 -0.390142530770E+02 -0.13687E-02 -0.49174E-04 521 0.815E-02 0.206E-01
DAV: 20 -0.390143182330E+02 -0.65156E-04 -0.19530E-04 649 0.251E-02 0.250E-01
DAV: 21 -0.390143243793E+02 -0.61463E-05 -0.12647E-04 513 0.202E-02 0.196E-01
DAV: 22 -0.390143727432E+02 -0.48364E-04 -0.11598E-04 505 0.171E-02 0.118E-01
DAV: 23 -0.390144157965E+02 -0.43053E-04 -0.14280E-04 384 0.163E-02 0.180E-02
DAV: 24 -0.390145021396E+02 -0.86343E-04 -0.44105E-05 412 0.191E-02 0.663E-02
DAV: 25 -0.390145236898E+02 -0.21550E-04 -0.20561E-05 288 0.122E-02 0.248E-02
DAV: 26 -0.390145530548E+02 -0.29365E-04 -0.17353E-05 244 0.776E-03 0.259E-02
DAV: 27 -0.390145601742E+02 -0.71193E-05 -0.45493E-06 272 0.612E-03
8 F= -.39014560E+02 E0= -.38910297E+02 d E =0.276010E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.391314520204E+02 -0.11690E+00 -0.33420E+02 376 0.689E+01 0.124E+01
DAV: 2 -0.567431961247E+02 -0.17612E+02 -0.10548E+02 624 0.192E+01 0.312E+01
DAV: 3 -0.457757895295E+02 0.10967E+02 -0.28418E+01 598 0.111E+01 0.275E+01
DAV: 4 -0.417504746371E+02 0.40253E+01 -0.79665E+00 608 0.641E+00 0.298E+01
DAV: 5 -0.410198615987E+02 0.73061E+00 -0.87427E+00 617 0.422E+00 0.146E+01
DAV: 6 -0.417792929074E+02 -0.75943E+00 -0.70690E+00 616 0.347E+00 0.219E+01
DAV: 7 -0.398845605041E+02 0.18947E+01 -0.21736E+00 585 0.199E+00 0.126E+01
DAV: 8 -0.397309233463E+02 0.15364E+00 -0.10158E+00 616 0.114E+00 0.104E+01
DAV: 9 -0.396341074267E+02 0.96816E-01 -0.10713E+00 666 0.811E-01 0.818E+00
DAV: 10 -0.396037920599E+02 0.30315E-01 -0.77140E-01 624 0.895E-01 0.736E+00
DAV: 11 -0.395248406399E+02 0.78951E-01 -0.21534E-01 603 0.654E-01 0.436E+00
DAV: 12 -0.395449574520E+02 -0.20117E-01 -0.11464E-01 624 0.501E-01 0.382E+00
DAV: 13 -0.395242735404E+02 0.20684E-01 -0.11021E-01 617 0.441E-01 0.341E+00
DAV: 14 -0.395188355140E+02 0.54380E-02 -0.59696E-02 624 0.337E-01 0.312E+00
DAV: 15 -0.395209517327E+02 -0.21162E-02 -0.46618E-02 624 0.355E-01 0.137E+00
DAV: 16 -0.395189827784E+02 0.19690E-02 -0.18053E-02 656 0.241E-01 0.510E-01
DAV: 17 -0.395220021632E+02 -0.30194E-02 -0.11640E-02 688 0.167E-01 0.586E-01
DAV: 18 -0.395205872245E+02 0.14149E-02 -0.65176E-03 624 0.113E-01 0.248E-01
DAV: 19 -0.395211844770E+02 -0.59725E-03 -0.13970E-03 616 0.755E-02 0.405E-01
DAV: 20 -0.395209327782E+02 0.25170E-03 -0.58896E-04 587 0.549E-02 0.377E-01
DAV: 21 -0.395207296005E+02 0.20318E-03 -0.84024E-04 592 0.418E-02 0.816E-02
DAV: 22 -0.395210502534E+02 -0.32065E-03 -0.16871E-04 400 0.400E-02 0.141E-01
DAV: 23 -0.395210924794E+02 -0.42226E-04 -0.21986E-04 280 0.180E-02 0.815E-02
DAV: 24 -0.395211327543E+02 -0.40275E-04 -0.89176E-05 188 0.179E-02 0.542E-02
DAV: 25 -0.395211731643E+02 -0.40410E-04 -0.10229E-04 195 0.123E-02 0.901E-02
DAV: 26 -0.395211789517E+02 -0.57875E-05 -0.37871E-05 188 0.114E-02
9 F= -.39521179E+02 E0= -.39415068E+02 d E =-.506619E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.388798837251E+02 0.64129E+00 -0.36835E+02 376 0.713E+01 0.196E+01
DAV: 2 -0.642074827652E+02 -0.25328E+02 -0.85013E+01 600 0.198E+01 0.395E+01
DAV: 3 -0.566878422068E+02 0.75196E+01 -0.10006E+02 628 0.132E+01 0.316E+01
DAV: 4 -0.435396703563E+02 0.13148E+02 -0.20984E+01 467 0.111E+01 0.235E+01
DAV: 5 -0.406067363899E+02 0.29329E+01 -0.81670E+00 648 0.579E+00 0.212E+01
DAV: 6 -0.397042647508E+02 0.90247E+00 -0.80882E+00 618 0.439E+00 0.173E+01
DAV: 7 -0.396975089003E+02 0.67559E-02 -0.46725E+00 672 0.302E+00 0.263E+01
DAV: 8 -0.398509812815E+02 -0.15347E+00 -0.85401E+00 681 0.229E+00 0.206E+01
DAV: 9 -0.389915238181E+02 0.85946E+00 -0.19858E+00 681 0.200E+00 0.122E+01
DAV: 10 -0.388523907593E+02 0.13913E+00 -0.91609E-01 649 0.146E+00 0.709E+00
DAV: 11 -0.387412267668E+02 0.11116E+00 -0.15036E-01 473 0.760E-01 0.542E+00
DAV: 12 -0.387100517902E+02 0.31175E-01 -0.20525E-01 688 0.513E-01 0.380E+00
DAV: 13 -0.387404267955E+02 -0.30375E-01 -0.25517E-01 624 0.512E-01 0.560E+00
DAV: 14 -0.388214930320E+02 -0.81066E-01 -0.39750E-01 688 0.659E-01 0.849E+00
DAV: 15 -0.387287135407E+02 0.92779E-01 -0.53609E-02 418 0.512E-01 0.630E+00
DAV: 16 -0.388279158121E+02 -0.99202E-01 -0.14619E-01 640 0.360E-01 0.817E+00
DAV: 17 -0.386964728665E+02 0.13144E+00 -0.26087E-01 617 0.455E-01 0.402E+00
DAV: 18 -0.387085835840E+02 -0.12111E-01 -0.71772E-02 603 0.352E-01 0.321E+00
DAV: 19 -0.387146256875E+02 -0.60421E-02 -0.13010E-02 496 0.216E-01 0.265E+00
DAV: 20 -0.387140169208E+02 0.60877E-03 -0.39304E-03 624 0.125E-01 0.236E+00
DAV: 21 -0.387105420128E+02 0.34749E-02 -0.32305E-03 656 0.839E-02 0.189E+00
DAV: 22 -0.387100956447E+02 0.44637E-03 -0.21444E-03 496 0.875E-02 0.161E+00
DAV: 23 -0.387061826371E+02 0.39130E-02 -0.11317E-02 688 0.105E-01 0.737E-01
DAV: 24 -0.387095065153E+02 -0.33239E-02 -0.15657E-03 544 0.131E-01 0.580E-01
DAV: 25 -0.387106062664E+02 -0.10998E-02 -0.40814E-04 584 0.703E-02 0.521E-01
DAV: 26 -0.387108957651E+02 -0.28950E-03 -0.38975E-03 608 0.548E-02 0.525E-01
DAV: 27 -0.387106290504E+02 0.26671E-03 -0.46059E-04 432 0.548E-02 0.304E-01
DAV: 28 -0.387106336678E+02 -0.46174E-05 -0.15148E-03 504 0.346E-02 0.349E-01
DAV: 29 -0.387106610676E+02 -0.27400E-04 -0.48188E-04 464 0.447E-02 0.486E-02
DAV: 30 -0.387107161709E+02 -0.55103E-04 -0.33137E-05 280 0.172E-02 0.751E-02
DAV: 31 -0.387107205752E+02 -0.44043E-05 -0.59907E-05 272 0.103E-02
10 F= -.38710721E+02 E0= -.38610561E+02 d E =0.810458E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.210536050708E+02 0.17657E+02 -0.15804E+03 408 0.160E+02 0.432E+01
DAV: 2 -0.853440887132E+02 -0.64290E+02 -0.40992E+02 525 0.428E+01 0.454E+01
DAV: 3 -0.636822384345E+02 0.21662E+02 -0.28170E+02 564 0.215E+01 0.356E+01
DAV: 4 -0.405706232717E+02 0.23112E+02 -0.48572E+01 472 0.152E+01 0.267E+01
DAV: 5 -0.361405771243E+02 0.44300E+01 -0.16045E+01 584 0.952E+00 0.260E+01
DAV: 6 -0.405107012844E+02 -0.43701E+01 -0.17776E+01 617 0.610E+00 0.305E+01
DAV: 7 -0.378128093785E+02 0.26979E+01 -0.10193E+01 595 0.495E+00 0.227E+01
DAV: 8 -0.372181847010E+02 0.59462E+00 -0.71723E+00 642 0.306E+00 0.318E+01
DAV: 9 -0.350429503164E+02 0.21752E+01 -0.30254E+00 657 0.274E+00 0.255E+01
DAV: 10 -0.341487484216E+02 0.89420E+00 -0.13099E+00 595 0.200E+00 0.243E+01
DAV: 11 -0.349386501617E+02 -0.78990E+00 -0.85625E+00 688 0.211E+00 0.219E+01
DAV: 12 -0.345321039687E+02 0.40655E+00 -0.13166E+00 624 0.187E+00 0.187E+01
DAV: 13 -0.340025287276E+02 0.52958E+00 -0.25344E+00 624 0.136E+00 0.190E+01
DAV: 14 -0.340357491486E+02 -0.33220E-01 -0.20853E+00 624 0.133E+00 0.189E+01
DAV: 15 -0.342153260402E+02 -0.17958E+00 -0.74287E-01 672 0.988E-01 0.147E+01
DAV: 16 -0.334552784049E+02 0.76005E+00 -0.65221E-01 624 0.976E-01 0.878E+00
DAV: 17 -0.336318779070E+02 -0.17660E+00 -0.20218E+00 688 0.119E+00 0.160E+01
DAV: 18 -0.334795877569E+02 0.15229E+00 -0.22029E-01 436 0.749E-01 0.120E+01
DAV: 19 -0.334266182020E+02 0.52970E-01 -0.12825E-01 624 0.343E-01 0.815E+00
DAV: 20 -0.333897657631E+02 0.36852E-01 -0.34080E-01 624 0.431E-01 0.446E+00
DAV: 21 -0.334129937064E+02 -0.23228E-01 -0.43279E-01 688 0.522E-01 0.538E+00
DAV: 22 -0.333935807158E+02 0.19413E-01 -0.17160E-01 548 0.467E-01 0.231E+00
DAV: 23 -0.334611788073E+02 -0.67598E-01 -0.33004E-01 656 0.430E-01 0.665E+00
DAV: 24 -0.334057684330E+02 0.55410E-01 -0.39326E-02 447 0.370E-01 0.463E+00
DAV: 25 -0.333914719368E+02 0.14296E-01 -0.42536E-02 664 0.193E-01 0.306E+00
DAV: 26 -0.333905223918E+02 0.94955E-03 -0.61912E-02 624 0.246E-01 0.986E-01
DAV: 27 -0.333973843486E+02 -0.68620E-02 -0.30740E-03 376 0.217E-01 0.103E+00
DAV: 28 -0.333965783297E+02 0.80602E-03 -0.28450E-03 624 0.829E-02 0.518E-01
DAV: 29 -0.333974271647E+02 -0.84883E-03 -0.11681E-03 681 0.674E-02 0.560E-01
DAV: 30 -0.333975720866E+02 -0.14492E-03 -0.15563E-03 592 0.541E-02 0.435E-01
DAV: 31 -0.333980356604E+02 -0.46357E-03 -0.17604E-03 479 0.504E-02 0.697E-01
DAV: 32 -0.333977144637E+02 0.32120E-03 -0.18124E-03 582 0.493E-02 0.648E-01
DAV: 33 -0.333974582212E+02 0.25624E-03 -0.10143E-03 406 0.482E-02 0.171E-01
DAV: 34 -0.333978423947E+02 -0.38417E-03 -0.13177E-03 463 0.366E-02 0.417E-01
DAV: 35 -0.333976720119E+02 0.17038E-03 -0.54098E-04 376 0.353E-02 0.634E-02
DAV: 36 -0.333977574452E+02 -0.85433E-04 -0.12340E-04 220 0.170E-02 0.117E-01
DAV: 37 -0.333977727777E+02 -0.15333E-04 -0.24217E-05 188 0.148E-02 0.115E-01
DAV: 38 -0.333977723835E+02 0.39418E-06 -0.60752E-05 188 0.762E-03
11 F= -.33397772E+02 E0= -.33282022E+02 d E =0.531295E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.345701004506E+02 -0.11723E+01 -0.76282E+02 376 0.933E+01 0.243E+01
DAV: 2 -0.750323843254E+02 -0.40462E+02 -0.33150E+02 632 0.217E+01 0.431E+01
DAV: 3 -0.485020615977E+02 0.26530E+02 -0.20040E+02 575 0.208E+01 0.287E+01
DAV: 4 -0.389854776519E+02 0.95166E+01 -0.64318E+01 632 0.166E+01 0.256E+01
DAV: 5 -0.341672506100E+02 0.48182E+01 -0.11986E+01 569 0.819E+00 0.174E+01
DAV: 6 -0.335857238243E+02 0.58153E+00 -0.10667E+01 648 0.502E+00 0.151E+01
DAV: 7 -0.327085929047E+02 0.87713E+00 -0.33457E+00 616 0.319E+00 0.192E+01
DAV: 8 -0.332332050651E+02 -0.52461E+00 -0.69256E+00 681 0.234E+00 0.184E+01
DAV: 9 -0.327760494103E+02 0.45716E+00 -0.19824E+00 648 0.152E+00 0.116E+01
DAV: 10 -0.326038940235E+02 0.17216E+00 -0.79670E-01 640 0.124E+00 0.103E+01
DAV: 11 -0.325685969508E+02 0.35297E-01 -0.56475E-01 688 0.840E-01 0.874E+00
DAV: 12 -0.326331163544E+02 -0.64519E-01 -0.15175E+00 688 0.908E-01 0.862E+00
DAV: 13 -0.325891595000E+02 0.43957E-01 -0.58196E-01 649 0.920E-01 0.619E+00
DAV: 14 -0.325804121721E+02 0.87473E-02 -0.74651E-01 688 0.799E-01 0.912E+00
DAV: 15 -0.325469950694E+02 0.33417E-01 -0.49792E-01 681 0.796E-01 0.776E+00
DAV: 16 -0.324978533778E+02 0.49142E-01 -0.53803E-02 544 0.588E-01 0.599E+00
DAV: 17 -0.328223033347E+02 -0.32445E+00 -0.12107E+00 688 0.102E+00 0.872E+00
DAV: 18 -0.326111959615E+02 0.21111E+00 -0.68440E-02 593 0.723E-01 0.748E+00
DAV: 19 -0.327785135602E+02 -0.16732E+00 -0.51041E-01 656 0.547E-01 0.996E+00
DAV: 20 -0.326873086712E+02 0.91205E-01 -0.14065E-02 465 0.335E-01 0.912E+00
DAV: 21 -0.326053554772E+02 0.81953E-01 -0.25266E-02 688 0.170E-01 0.799E+00
DAV: 22 -0.325469183550E+02 0.58437E-01 -0.29753E-02 688 0.205E-01 0.690E+00
DAV: 23 -0.324669925337E+02 0.79926E-01 -0.12582E-01 688 0.355E-01 0.278E+00
DAV: 24 -0.324814476026E+02 -0.14455E-01 -0.31984E-02 624 0.400E-01 0.113E+00
DAV: 25 -0.324996137078E+02 -0.18166E-01 -0.70161E-03 482 0.280E-01 0.173E+00
DAV: 26 -0.325009303211E+02 -0.13166E-02 -0.13700E-03 616 0.790E-02 0.190E+00
DAV: 27 -0.324972321988E+02 0.36981E-02 -0.22351E-03 688 0.638E-02 0.176E+00
DAV: 28 -0.324939437045E+02 0.32885E-02 -0.48841E-03 624 0.943E-02 0.104E+00
DAV: 29 -0.324960970464E+02 -0.21533E-02 -0.10535E-03 464 0.123E-01 0.800E-01
DAV: 30 -0.324964986188E+02 -0.40157E-03 -0.47827E-04 688 0.446E-02 0.615E-01
DAV: 31 -0.324963314274E+02 0.16719E-03 -0.55860E-04 608 0.383E-02 0.373E-01
DAV: 32 -0.324967130641E+02 -0.38164E-03 -0.14970E-04 560 0.388E-02 0.423E-01
DAV: 33 -0.324963840576E+02 0.32901E-03 -0.35032E-04 624 0.271E-02 0.188E-01
DAV: 34 -0.324965107276E+02 -0.12667E-03 -0.14946E-04 576 0.273E-02 0.109E-01
DAV: 35 -0.324966349465E+02 -0.12422E-03 -0.78088E-05 464 0.233E-02 0.148E-01
DAV: 36 -0.324965692289E+02 0.65718E-04 -0.52060E-05 272 0.126E-02 0.572E-02
DAV: 37 -0.324965915219E+02 -0.22293E-04 -0.23607E-05 296 0.123E-02 0.170E-02
DAV: 38 -0.324966052162E+02 -0.13694E-04 -0.18495E-05 368 0.109E-02 0.259E-02
DAV: 39 -0.324966046191E+02 0.59710E-06 -0.91558E-06 272 0.704E-03
12 F= -.32496605E+02 E0= -.32376883E+02 d E =0.901168E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.309416323576E+02 0.15550E+01 -0.22101E+02 376 0.586E+01 0.974E+00
DAV: 2 -0.424679164343E+02 -0.11526E+02 -0.78721E+01 656 0.152E+01 0.237E+01
DAV: 3 -0.439832463498E+02 -0.15153E+01 -0.52288E+01 688 0.100E+01 0.368E+01
DAV: 4 -0.360167371123E+02 0.79665E+01 -0.46837E+00 573 0.532E+00 0.252E+01
DAV: 5 -0.323571478666E+02 0.36596E+01 -0.19397E+00 688 0.346E+00 0.128E+01
DAV: 6 -0.318773532042E+02 0.47979E+00 -0.93401E-01 664 0.192E+00 0.108E+01
DAV: 7 -0.319419344107E+02 -0.64581E-01 -0.12310E+00 672 0.126E+00 0.142E+01
DAV: 8 -0.316719151574E+02 0.27002E+00 -0.29158E+00 641 0.216E+00 0.115E+01
DAV: 9 -0.315573874470E+02 0.11453E+00 -0.20788E+00 648 0.176E+00 0.903E+00
DAV: 10 -0.314271319302E+02 0.13026E+00 -0.76558E-01 674 0.127E+00 0.425E+00
DAV: 11 -0.314396357285E+02 -0.12504E-01 -0.30773E-01 680 0.808E-01 0.424E+00
DAV: 12 -0.314301919613E+02 0.94438E-02 -0.50459E-02 610 0.437E-01 0.406E+00
DAV: 13 -0.314484303016E+02 -0.18238E-01 -0.78061E-02 688 0.294E-01 0.505E+00
DAV: 14 -0.314097660914E+02 0.38664E-01 -0.68961E-02 674 0.370E-01 0.358E+00
DAV: 15 -0.314049171432E+02 0.48489E-02 -0.10762E-01 712 0.428E-01 0.161E+00
DAV: 16 -0.314205242034E+02 -0.15607E-01 -0.52432E-02 688 0.412E-01 0.284E+00
DAV: 17 -0.314149701154E+02 0.55541E-02 -0.19323E-02 658 0.282E-01 0.309E+00
DAV: 18 -0.314055606180E+02 0.94095E-02 -0.12217E-02 624 0.160E-01 0.215E+00
DAV: 19 -0.314074017681E+02 -0.18412E-02 -0.18136E-02 667 0.145E-01 0.188E+00
DAV: 20 -0.314099730397E+02 -0.25713E-02 -0.49535E-03 688 0.165E-01 0.164E+00
DAV: 21 -0.314105434123E+02 -0.57037E-03 -0.64664E-03 720 0.141E-01 0.113E+00
DAV: 22 -0.314123704332E+02 -0.18270E-02 -0.27789E-03 649 0.128E-01 0.607E-01
DAV: 23 -0.314137094483E+02 -0.13390E-02 -0.47365E-04 602 0.758E-02 0.504E-01
DAV: 24 -0.314139721040E+02 -0.26266E-03 -0.70373E-04 674 0.451E-02 0.330E-01
DAV: 25 -0.314143413990E+02 -0.36930E-03 -0.55841E-04 674 0.556E-02 0.136E-01
DAV: 26 -0.314146293387E+02 -0.28794E-03 -0.32006E-04 624 0.433E-02 0.172E-01
DAV: 27 -0.314146657232E+02 -0.36385E-04 -0.11081E-04 395 0.302E-02 0.838E-02
DAV: 28 -0.314147288883E+02 -0.63165E-04 -0.12254E-04 512 0.213E-02 0.124E-01
DAV: 29 -0.314147215883E+02 0.73000E-05 -0.24998E-05 321 0.198E-02
13 F= -.31414722E+02 E0= -.31300708E+02 d E =0.108188E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.313890430715E+02 0.25686E-01 -0.32895E+01 376 0.232E+01 0.225E+00
DAV: 2 -0.330232943592E+02 -0.16343E+01 -0.74773E+00 688 0.462E+00 0.137E+01
DAV: 3 -0.328841730969E+02 0.13912E+00 -0.75469E+00 639 0.305E+00 0.243E+01
DAV: 4 -0.315165792204E+02 0.13676E+01 -0.23148E+00 672 0.198E+00 0.106E+01
DAV: 5 -0.314409978283E+02 0.75581E-01 -0.63405E-01 616 0.124E+00 0.471E+00
DAV: 6 -0.316342587845E+02 -0.19326E+00 -0.10430E+00 688 0.878E-01 0.109E+01
DAV: 7 -0.314481103425E+02 0.18615E+00 -0.67495E-01 624 0.654E-01 0.357E+00
DAV: 8 -0.314472769534E+02 0.83339E-03 -0.25205E-01 496 0.453E-01 0.126E+00
DAV: 9 -0.314528698708E+02 -0.55929E-02 -0.52094E-02 720 0.279E-01 0.133E+00
DAV: 10 -0.314485662282E+02 0.43036E-02 -0.28642E-02 688 0.230E-01 0.673E-01
DAV: 11 -0.314498863098E+02 -0.13201E-02 -0.11437E-02 688 0.150E-01 0.478E-01
DAV: 12 -0.314499559537E+02 -0.69644E-04 -0.70158E-03 706 0.113E-01 0.434E-01
DAV: 13 -0.314495923510E+02 0.36360E-03 -0.47136E-03 720 0.876E-02 0.290E-01
DAV: 14 -0.314496984060E+02 -0.10606E-03 -0.22884E-03 666 0.673E-02 0.286E-01
DAV: 15 -0.314495982290E+02 0.10018E-03 -0.11202E-03 688 0.453E-02 0.218E-01
DAV: 16 -0.314496225827E+02 -0.24354E-04 -0.37401E-04 592 0.336E-02 0.148E-01
DAV: 17 -0.314496432725E+02 -0.20690E-04 -0.19895E-04 592 0.269E-02 0.917E-02
DAV: 18 -0.314496511753E+02 -0.79028E-05 -0.11786E-04 536 0.181E-02 0.697E-02
DAV: 19 -0.314496582111E+02 -0.70358E-05 -0.57436E-05 432 0.146E-02
14 F= -.31449658E+02 E0= -.31338985E+02 d E =-.349366E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.311714918017E+02 0.27816E+00 -0.12141E+02 376 0.437E+01 0.407E+00
DAV: 2 -0.358589644970E+02 -0.46875E+01 -0.24893E+01 688 0.835E+00 0.284E+01
DAV: 3 -0.349485760755E+02 0.91039E+00 -0.16187E+01 660 0.452E+00 0.238E+01
DAV: 4 -0.332606731091E+02 0.16879E+01 -0.76714E+00 688 0.326E+00 0.220E+01
DAV: 5 -0.314049455536E+02 0.18557E+01 -0.19623E+00 600 0.271E+00 0.448E+00
DAV: 6 -0.315524820586E+02 -0.14754E+00 -0.11021E+00 680 0.172E+00 0.729E+00
DAV: 7 -0.316466427762E+02 -0.94161E-01 -0.75048E-01 624 0.994E-01 0.117E+01
DAV: 8 -0.314249981282E+02 0.22164E+00 -0.83397E-01 688 0.731E-01 0.213E+00
DAV: 9 -0.314555420446E+02 -0.30544E-01 -0.14824E-01 587 0.480E-01 0.195E+00
DAV: 10 -0.314587181695E+02 -0.31761E-02 -0.14999E-01 688 0.283E-01 0.178E+00
DAV: 11 -0.314545521972E+02 0.41660E-02 -0.61634E-02 667 0.233E-01 0.175E+00
DAV: 12 -0.314544274395E+02 0.12476E-03 -0.50947E-02 656 0.286E-01 0.114E+00
DAV: 13 -0.314532240035E+02 0.12034E-02 -0.34603E-02 681 0.219E-01 0.109E+00
DAV: 14 -0.314531114885E+02 0.11251E-03 -0.24797E-02 706 0.193E-01 0.744E-01
DAV: 15 -0.314532842710E+02 -0.17278E-03 -0.11550E-02 674 0.163E-01 0.838E-01
DAV: 16 -0.314524478183E+02 0.83645E-03 -0.48247E-03 656 0.106E-01 0.401E-01
DAV: 17 -0.314528467884E+02 -0.39897E-03 -0.22597E-03 688 0.851E-02 0.499E-01
DAV: 18 -0.314527298694E+02 0.11692E-03 -0.10118E-03 680 0.605E-02 0.244E-01
DAV: 19 -0.314529646547E+02 -0.23479E-03 -0.64767E-04 688 0.473E-02 0.136E-01
DAV: 20 -0.314529890157E+02 -0.24361E-04 -0.18449E-04 552 0.301E-02 0.628E-02
DAV: 21 -0.314530029297E+02 -0.13914E-04 -0.75298E-05 426 0.177E-02 0.398E-02
DAV: 22 -0.314530232495E+02 -0.20320E-04 -0.31890E-05 352 0.174E-02 0.325E-02
DAV: 23 -0.314530283375E+02 -0.50880E-05 -0.16053E-05 258 0.105E-02
15 F= -.31453028E+02 E0= -.31337047E+02 d E =-.337013E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.271927199723E+02 0.42603E+01 -0.52714E+02 376 0.875E+01 0.188E+01
DAV: 2 -0.607704861752E+02 -0.33578E+02 -0.20922E+02 674 0.229E+01 0.422E+01
DAV: 3 -0.492406281607E+02 0.11530E+02 -0.11254E+02 553 0.156E+01 0.334E+01
DAV: 4 -0.386746519102E+02 0.10566E+02 -0.31106E+01 501 0.136E+01 0.297E+01
DAV: 5 -0.325498244393E+02 0.61248E+01 -0.79048E+00 664 0.624E+00 0.257E+01
DAV: 6 -0.310743807370E+02 0.14754E+01 -0.27665E+00 635 0.253E+00 0.177E+01
DAV: 7 -0.326289232860E+02 -0.15545E+01 -0.12732E+01 688 0.393E+00 0.331E+01
DAV: 8 -0.318435762754E+02 0.78535E+00 -0.82405E+00 688 0.390E+00 0.309E+01
DAV: 9 -0.298327651281E+02 0.20108E+01 -0.40812E+00 688 0.268E+00 0.162E+01
DAV: 10 -0.293530345572E+02 0.47973E+00 -0.26355E+00 688 0.252E+00 0.990E+00
DAV: 11 -0.293754215438E+02 -0.22387E-01 -0.10440E+00 681 0.142E+00 0.851E+00
DAV: 12 -0.293341331372E+02 0.41288E-01 -0.98656E-02 640 0.671E-01 0.802E+00
DAV: 13 -0.294331456685E+02 -0.99013E-01 -0.18148E-01 681 0.473E-01 0.101E+01
DAV: 14 -0.293939482008E+02 0.39197E-01 -0.14192E-01 720 0.384E-01 0.901E+00
DAV: 15 -0.292569768686E+02 0.13697E+00 -0.17928E-01 681 0.446E-01 0.552E+00
DAV: 16 -0.292436415484E+02 0.13335E-01 -0.40659E-01 688 0.608E-01 0.502E+00
DAV: 17 -0.292302010108E+02 0.13441E-01 -0.15371E-02 521 0.427E-01 0.437E+00
DAV: 18 -0.292330617860E+02 -0.28608E-02 -0.13350E-02 688 0.161E-01 0.486E+00
DAV: 19 -0.292315267977E+02 0.15350E-02 -0.24736E-01 681 0.332E-01 0.305E+00
DAV: 20 -0.292600414962E+02 -0.28515E-01 -0.69517E-02 681 0.416E-01 0.449E+00
DAV: 21 -0.292872006537E+02 -0.27159E-01 -0.29975E-01 688 0.578E-01 0.599E+00
DAV: 22 -0.292301932534E+02 0.57007E-01 -0.36348E-02 546 0.466E-01 0.386E+00
DAV: 23 -0.292261069431E+02 0.40863E-02 -0.48562E-02 688 0.236E-01 0.259E+00
DAV: 24 -0.292348962733E+02 -0.87893E-02 -0.14163E-02 688 0.193E-01 0.238E+00
DAV: 25 -0.292349607715E+02 -0.64498E-04 -0.42333E-03 561 0.127E-01 0.218E+00
DAV: 26 -0.292310865905E+02 0.38742E-02 -0.52496E-03 688 0.766E-02 0.153E+00
DAV: 27 -0.292300010715E+02 0.10855E-02 -0.10726E-02 688 0.133E-01 0.505E-01
DAV: 28 -0.292350725411E+02 -0.50715E-02 -0.30572E-03 502 0.151E-01 0.851E-01
DAV: 29 -0.292340772929E+02 0.99525E-03 -0.14813E-03 544 0.621E-02 0.607E-01
DAV: 30 -0.292340173544E+02 0.59938E-04 -0.60510E-04 608 0.415E-02 0.381E-01
DAV: 31 -0.292342123863E+02 -0.19503E-03 -0.61203E-04 656 0.446E-02 0.141E-01
DAV: 32 -0.292345231903E+02 -0.31080E-03 -0.12778E-04 602 0.432E-02 0.104E-01
DAV: 33 -0.292345772756E+02 -0.54085E-04 -0.11639E-04 584 0.225E-02 0.354E-02
DAV: 34 -0.292346124403E+02 -0.35165E-04 -0.73853E-05 364 0.184E-02 0.867E-02
DAV: 35 -0.292346002545E+02 0.12186E-04 -0.45094E-05 216 0.119E-02 0.352E-02
DAV: 36 -0.292346068619E+02 -0.66074E-05 -0.11655E-05 202 0.707E-03
16 F= -.29234607E+02 E0= -.29104606E+02 d E =0.221842E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.299803549850E+02 -0.74575E+00 -0.23884E+02 376 0.621E+01 0.501E+00
DAV: 2 -0.321435374257E+02 -0.21632E+01 -0.14844E+01 512 0.102E+01 0.183E+01
DAV: 3 -0.331426240363E+02 -0.99909E+00 -0.12270E+01 720 0.429E+00 0.279E+01
DAV: 4 -0.331985814666E+02 -0.55957E-01 -0.10380E+01 688 0.317E+00 0.241E+01
DAV: 5 -0.315268744377E+02 0.16717E+01 -0.36466E+00 680 0.223E+00 0.161E+01
DAV: 6 -0.314024399232E+02 0.12443E+00 -0.45678E+00 656 0.211E+00 0.163E+01
DAV: 7 -0.311351432410E+02 0.26730E+00 -0.24940E+00 645 0.157E+00 0.124E+01
DAV: 8 -0.309925139840E+02 0.14263E+00 -0.22997E+00 688 0.124E+00 0.896E+00
DAV: 9 -0.309154583746E+02 0.77056E-01 -0.18832E-01 672 0.808E-01 0.485E+00
DAV: 10 -0.308999677024E+02 0.15491E-01 -0.90742E-02 656 0.398E-01 0.315E+00
DAV: 11 -0.309064707366E+02 -0.65030E-02 -0.98104E-02 720 0.326E-01 0.198E+00
DAV: 12 -0.309086186353E+02 -0.21479E-02 -0.10406E-01 720 0.307E-01 0.232E+00
DAV: 13 -0.309031372173E+02 0.54814E-02 -0.36726E-02 672 0.232E-01 0.242E+00
DAV: 14 -0.309013099750E+02 0.18272E-02 -0.18065E-02 720 0.206E-01 0.210E+00
DAV: 15 -0.309002559841E+02 0.10540E-02 -0.17153E-02 688 0.200E-01 0.142E+00
DAV: 16 -0.308991884774E+02 0.10675E-02 -0.14830E-02 720 0.164E-01 0.943E-01
DAV: 17 -0.308994288166E+02 -0.24034E-03 -0.35725E-03 608 0.114E-01 0.467E-01
DAV: 18 -0.308998371660E+02 -0.40835E-03 -0.20817E-03 688 0.741E-02 0.213E-01
DAV: 19 -0.309000263153E+02 -0.18915E-03 -0.69440E-04 577 0.587E-02 0.147E-01
DAV: 20 -0.309001383876E+02 -0.11207E-03 -0.39458E-04 688 0.392E-02 0.125E-01
DAV: 21 -0.309001850119E+02 -0.46624E-04 -0.28725E-04 568 0.314E-02 0.998E-02
DAV: 22 -0.309001886692E+02 -0.36573E-05 -0.57728E-05 424 0.207E-02
17 F= -.30900189E+02 E0= -.30782404E+02 d E =-.166558E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.266465884101E+02 0.42536E+01 -0.44996E+02 376 0.853E+01 0.136E+01
DAV: 2 -0.561821074057E+02 -0.29536E+02 -0.15340E+02 664 0.223E+01 0.410E+01
DAV: 3 -0.374686506815E+02 0.18713E+02 -0.53545E+01 600 0.116E+01 0.299E+01
DAV: 4 -0.342772835667E+02 0.31914E+01 -0.36523E+01 581 0.124E+01 0.276E+01
DAV: 5 -0.286081312862E+02 0.56692E+01 -0.53619E+00 672 0.534E+00 0.135E+01
DAV: 6 -0.306685758984E+02 -0.20604E+01 -0.11737E+01 688 0.384E+00 0.216E+01
DAV: 7 -0.291977827759E+02 0.14708E+01 -0.44702E+00 657 0.283E+00 0.165E+01
DAV: 8 -0.288040241672E+02 0.39376E+00 -0.22969E+00 680 0.172E+00 0.125E+01
DAV: 9 -0.286036334836E+02 0.20039E+00 -0.96864E-01 688 0.110E+00 0.781E+00
DAV: 10 -0.285985454277E+02 0.50881E-02 -0.43671E-01 673 0.763E-01 0.593E+00
DAV: 11 -0.285792492890E+02 0.19296E-01 -0.25705E-01 688 0.603E-01 0.253E+00
DAV: 12 -0.286113113573E+02 -0.32062E-01 -0.17194E-01 673 0.520E-01 0.491E+00
DAV: 13 -0.285849239960E+02 0.26387E-01 -0.23337E-01 642 0.438E-01 0.243E+00
DAV: 14 -0.286126259171E+02 -0.27702E-01 -0.11254E-01 720 0.449E-01 0.589E+00
DAV: 15 -0.285850516293E+02 0.27574E-01 -0.16541E-02 562 0.317E-01 0.438E+00
DAV: 16 -0.285861611842E+02 -0.11096E-02 -0.35173E-02 681 0.179E-01 0.332E+00
DAV: 17 -0.285882523667E+02 -0.20912E-02 -0.28341E-02 681 0.228E-01 0.300E+00
DAV: 18 -0.285842384418E+02 0.40139E-02 -0.18630E-02 672 0.212E-01 0.178E+00
DAV: 19 -0.286041502375E+02 -0.19912E-01 -0.98949E-02 688 0.287E-01 0.321E+00
DAV: 20 -0.285880236017E+02 0.16127E-01 -0.86158E-03 451 0.270E-01 0.217E+00
DAV: 21 -0.285877544338E+02 0.26917E-03 -0.53137E-03 688 0.935E-02 0.195E+00
DAV: 22 -0.285844349351E+02 0.33195E-02 -0.71131E-03 674 0.950E-02 0.911E-01
DAV: 23 -0.285867803376E+02 -0.23454E-02 -0.41401E-03 681 0.120E-01 0.728E-01
DAV: 24 -0.285879852340E+02 -0.12049E-02 -0.13310E-03 618 0.915E-02 0.540E-01
DAV: 25 -0.285879348360E+02 0.50398E-04 -0.36021E-04 585 0.331E-02 0.409E-01
DAV: 26 -0.285879289811E+02 0.58549E-05 -0.22464E-04 523 0.310E-02 0.250E-01
DAV: 27 -0.285880406325E+02 -0.11165E-03 -0.48128E-04 656 0.333E-02 0.686E-02
DAV: 28 -0.285881777604E+02 -0.13713E-03 -0.45523E-05 427 0.391E-02 0.524E-02
DAV: 29 -0.285881893765E+02 -0.11616E-04 -0.18893E-05 251 0.888E-03 0.967E-02
DAV: 30 -0.285881814500E+02 0.79264E-05 -0.75448E-05 308 0.100E-02
18 F= -.28588181E+02 E0= -.28465674E+02 d E =0.231201E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.280124769905E+02 0.57571E+00 -0.38794E+01 376 0.257E+01 0.143E+00
DAV: 2 -0.290145111509E+02 -0.10020E+01 -0.34826E+00 528 0.374E+00 0.179E+01
DAV: 3 -0.283336806340E+02 0.68083E+00 -0.16514E+00 520 0.186E+00 0.984E+00
DAV: 4 -0.282120047491E+02 0.12168E+00 -0.58544E-01 688 0.133E+00 0.881E+00
DAV: 5 -0.281934373292E+02 0.18567E-01 -0.12434E+00 688 0.880E-01 0.851E+00
DAV: 6 -0.281896954664E+02 0.37419E-02 -0.76414E-01 600 0.673E-01 0.799E+00
DAV: 7 -0.281468937145E+02 0.42802E-01 -0.70609E-01 674 0.662E-01 0.513E+00
DAV: 8 -0.281015412968E+02 0.45352E-01 -0.21003E-01 688 0.658E-01 0.207E+00
DAV: 9 -0.281067716350E+02 -0.52303E-02 -0.55956E-02 672 0.437E-01 0.147E+00
DAV: 10 -0.281060471955E+02 0.72444E-03 -0.31697E-02 660 0.238E-01 0.112E+00
DAV: 11 -0.281044767702E+02 0.15704E-02 -0.22707E-02 624 0.153E-01 0.626E-01
DAV: 12 -0.281045055161E+02 -0.28746E-04 -0.10962E-02 688 0.124E-01 0.376E-01
DAV: 13 -0.281045265604E+02 -0.21044E-04 -0.56354E-03 688 0.105E-01 0.481E-01
DAV: 14 -0.281044878939E+02 0.38666E-04 -0.26397E-03 720 0.817E-02 0.314E-01
DAV: 15 -0.281044438008E+02 0.44093E-04 -0.15808E-03 688 0.690E-02 0.172E-01
DAV: 16 -0.281044598410E+02 -0.16040E-04 -0.71274E-04 688 0.467E-02 0.156E-01
DAV: 17 -0.281044223517E+02 0.37489E-04 -0.32806E-04 640 0.277E-02 0.897E-02
DAV: 18 -0.281044604712E+02 -0.38120E-04 -0.16969E-04 632 0.203E-02 0.576E-02
DAV: 19 -0.281044724466E+02 -0.11975E-04 -0.90297E-05 418 0.192E-02 0.771E-02
DAV: 20 -0.281044680393E+02 0.44074E-05 -0.26076E-05 223 0.113E-02
19 F= -.28104468E+02 E0= -.27984992E+02 d E =0.483713E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.270400819495E+02 0.10644E+01 -0.16138E+02 376 0.505E+01 0.455E+00
DAV: 2 -0.306655015461E+02 -0.36254E+01 -0.17195E+01 680 0.817E+00 0.291E+01
DAV: 3 -0.295118050270E+02 0.11537E+01 -0.11520E+01 660 0.421E+00 0.221E+01
DAV: 4 -0.288909007438E+02 0.62090E+00 -0.66199E+00 672 0.324E+00 0.202E+01
DAV: 5 -0.282298271801E+02 0.66107E+00 -0.17095E+00 660 0.301E+00 0.215E+01
DAV: 6 -0.283038616052E+02 -0.74034E-01 -0.50801E+00 688 0.202E+00 0.170E+01
DAV: 7 -0.279230913035E+02 0.38077E+00 -0.20736E+00 624 0.170E+00 0.124E+01
DAV: 8 -0.276502532029E+02 0.27284E+00 -0.10283E+00 648 0.115E+00 0.815E+00
DAV: 9 -0.276178541261E+02 0.32399E-01 -0.22675E-01 650 0.601E-01 0.636E+00
DAV: 10 -0.275713287274E+02 0.46525E-01 -0.17157E-01 688 0.452E-01 0.257E+00
DAV: 11 -0.275806708756E+02 -0.93421E-02 -0.94636E-02 699 0.365E-01 0.194E+00
DAV: 12 -0.275793721275E+02 0.12987E-02 -0.82937E-02 688 0.297E-01 0.245E+00
DAV: 13 -0.275772359590E+02 0.21362E-02 -0.24705E-02 683 0.241E-01 0.253E+00
DAV: 14 -0.275774162132E+02 -0.18025E-03 -0.20400E-02 713 0.202E-01 0.231E+00
DAV: 15 -0.275735963128E+02 0.38199E-02 -0.13960E-02 720 0.166E-01 0.161E+00
DAV: 16 -0.275725855126E+02 0.10108E-02 -0.76297E-03 720 0.150E-01 0.862E-01
DAV: 17 -0.275738595540E+02 -0.12740E-02 -0.70780E-03 699 0.129E-01 0.840E-01
DAV: 18 -0.275734037085E+02 0.45585E-03 -0.34353E-03 640 0.101E-01 0.386E-01
DAV: 19 -0.275736126660E+02 -0.20896E-03 -0.16523E-03 674 0.748E-02 0.187E-01
DAV: 20 -0.275737706248E+02 -0.15796E-03 -0.69125E-04 688 0.535E-02 0.187E-01
DAV: 21 -0.275737666082E+02 0.40166E-05 -0.40284E-04 666 0.396E-02 0.144E-01
DAV: 22 -0.275737739181E+02 -0.73099E-05 -0.12357E-04 560 0.253E-02 0.122E-01
DAV: 23 -0.275737852211E+02 -0.11303E-04 -0.67465E-05 434 0.191E-02 0.881E-02
DAV: 24 -0.275737917187E+02 -0.64976E-05 -0.26384E-05 272 0.128E-02
20 F= -.27573792E+02 E0= -.27447787E+02 d E =0.530676E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.275538538640E+02 0.19931E-01 -0.11702E+00 376 0.442E+00 0.187E-01
DAV: 2 -0.275679556994E+02 -0.14102E-01 -0.64777E-02 464 0.520E-01 0.276E+00
DAV: 3 -0.275560391709E+02 0.11917E-01 -0.56836E-02 598 0.226E-01 0.135E+00
DAV: 4 -0.275604972781E+02 -0.44581E-02 -0.34222E-02 688 0.179E-01 0.190E+00
DAV: 5 -0.275563292487E+02 0.41680E-02 -0.31465E-02 681 0.196E-01 0.122E+00
DAV: 6 -0.275575510203E+02 -0.12218E-02 -0.17289E-02 688 0.145E-01 0.114E+00
DAV: 7 -0.275566297251E+02 0.92130E-03 -0.98409E-03 561 0.135E-01 0.654E-01
DAV: 8 -0.275565068724E+02 0.12285E-03 -0.41657E-03 688 0.100E-01 0.419E-01
DAV: 9 -0.275562637722E+02 0.24310E-03 -0.21205E-03 681 0.785E-02 0.179E-01
DAV: 10 -0.275562614470E+02 0.23252E-05 -0.75597E-04 666 0.440E-02 0.132E-01
DAV: 11 -0.275562802534E+02 -0.18806E-04 -0.48170E-04 553 0.254E-02 0.125E-01
DAV: 12 -0.275562468354E+02 0.33418E-04 -0.34152E-04 608 0.237E-02 0.686E-02
DAV: 13 -0.275562421802E+02 0.46553E-05 -0.14116E-04 473 0.187E-02 0.468E-02
DAV: 14 -0.275562396738E+02 0.25064E-05 -0.60826E-05 376 0.136E-02
21 F= -.27556240E+02 E0= -.27430643E+02 d E =0.175520E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.259892052505E+02 0.15670E+01 -0.17274E+02 376 0.551E+01 0.323E+00
DAV: 2 -0.277671747111E+02 -0.17780E+01 -0.10208E+01 480 0.860E+00 0.154E+01
DAV: 3 -0.283706821609E+02 -0.60351E+00 -0.59851E+00 621 0.311E+00 0.293E+01
DAV: 4 -0.271636141859E+02 0.12071E+01 -0.45165E+00 666 0.183E+00 0.184E+01
DAV: 5 -0.268452031740E+02 0.31841E+00 -0.32100E+00 659 0.186E+00 0.145E+01
DAV: 6 -0.270364418423E+02 -0.19124E+00 -0.33174E+00 688 0.166E+00 0.167E+01
DAV: 7 -0.265692973149E+02 0.46714E+00 -0.11142E+00 688 0.153E+00 0.736E+00
DAV: 8 -0.266020182823E+02 -0.32721E-01 -0.53429E-01 530 0.112E+00 0.679E+00
DAV: 9 -0.265822167208E+02 0.19802E-01 -0.56539E-01 688 0.736E-01 0.547E+00
DAV: 10 -0.265202061627E+02 0.62011E-01 -0.14548E-01 656 0.560E-01 0.215E+00
DAV: 11 -0.265276489106E+02 -0.74427E-02 -0.59637E-02 688 0.354E-01 0.171E+00
DAV: 12 -0.265234739276E+02 0.41750E-02 -0.37830E-02 681 0.276E-01 0.984E-01
DAV: 13 -0.265244366665E+02 -0.96274E-03 -0.29603E-02 688 0.241E-01 0.112E+00
DAV: 14 -0.265237390160E+02 0.69765E-03 -0.19467E-02 667 0.190E-01 0.900E-01
DAV: 15 -0.265234849722E+02 0.25404E-03 -0.11159E-02 640 0.156E-01 0.794E-01
DAV: 16 -0.265231147448E+02 0.37023E-03 -0.71816E-03 665 0.122E-01 0.542E-01
DAV: 17 -0.265233582615E+02 -0.24352E-03 -0.34009E-03 673 0.960E-02 0.381E-01
DAV: 18 -0.265233286958E+02 0.29566E-04 -0.19371E-03 688 0.720E-02 0.188E-01
DAV: 19 -0.265234671856E+02 -0.13849E-03 -0.13851E-03 681 0.590E-02 0.211E-01
DAV: 20 -0.265234304589E+02 0.36727E-04 -0.51495E-04 688 0.396E-02 0.169E-01
DAV: 21 -0.265234400123E+02 -0.95534E-05 -0.19307E-04 618 0.265E-02 0.719E-02
DAV: 22 -0.265234586263E+02 -0.18614E-04 -0.52315E-05 384 0.177E-02 0.331E-02
DAV: 23 -0.265234711735E+02 -0.12547E-04 -0.20421E-05 323 0.125E-02 0.356E-02
DAV: 24 -0.265234789120E+02 -0.77385E-05 -0.89884E-06 272 0.935E-03
22 F= -.26523479E+02 E0= -.26399182E+02 d E =0.103276E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.228871782533E+02 0.36363E+01 -0.50024E+02 376 0.919E+01 0.114E+01
DAV: 2 -0.360339629869E+02 -0.13147E+02 -0.56555E+01 550 0.195E+01 0.305E+01
DAV: 3 -0.301543162569E+02 0.58796E+01 -0.20263E+01 656 0.843E+00 0.351E+01
DAV: 4 -0.288980025508E+02 0.12563E+01 -0.19622E+01 656 0.500E+00 0.240E+01
DAV: 5 -0.299080644081E+02 -0.10101E+01 -0.20261E+01 656 0.451E+00 0.263E+01
DAV: 6 -0.255990976516E+02 0.43090E+01 -0.51383E+00 660 0.379E+00 0.136E+01
DAV: 7 -0.253886615437E+02 0.21044E+00 -0.25446E+00 624 0.340E+00 0.120E+01
DAV: 8 -0.255215574057E+02 -0.13290E+00 -0.21282E+00 600 0.212E+00 0.121E+01
DAV: 9 -0.253999585903E+02 0.12160E+00 -0.88496E-01 688 0.123E+00 0.817E+00
DAV: 10 -0.253045706875E+02 0.95388E-01 -0.43211E-01 609 0.110E+00 0.519E+00
DAV: 11 -0.252975865631E+02 0.69841E-02 -0.19433E-01 633 0.581E-01 0.392E+00
DAV: 12 -0.252879388665E+02 0.96477E-02 -0.81934E-02 664 0.360E-01 0.268E+00
DAV: 13 -0.252942448119E+02 -0.63059E-02 -0.31040E-02 660 0.260E-01 0.251E+00
DAV: 14 -0.253012354287E+02 -0.69906E-02 -0.30832E-02 664 0.267E-01 0.237E+00
DAV: 15 -0.252975155234E+02 0.37199E-02 -0.53968E-02 713 0.307E-01 0.200E+00
DAV: 16 -0.252956020491E+02 0.19135E-02 -0.20736E-02 680 0.241E-01 0.193E+00
DAV: 17 -0.252958202079E+02 -0.21816E-03 -0.16602E-02 681 0.179E-01 0.172E+00
DAV: 18 -0.252934817204E+02 0.23385E-02 -0.19146E-02 696 0.188E-01 0.165E+00
DAV: 19 -0.252912101903E+02 0.22715E-02 -0.12241E-02 640 0.173E-01 0.131E+00
DAV: 20 -0.252906732561E+02 0.53693E-03 -0.57524E-03 651 0.122E-01 0.113E+00
DAV: 21 -0.252922327646E+02 -0.15595E-02 -0.16191E-02 688 0.130E-01 0.102E+00
DAV: 22 -0.252921698041E+02 0.62960E-04 -0.24017E-03 461 0.134E-01 0.708E-01
DAV: 23 -0.252920652895E+02 0.10451E-03 -0.19304E-03 688 0.777E-02 0.348E-01
DAV: 24 -0.252923562389E+02 -0.29095E-03 -0.12306E-03 667 0.746E-02 0.226E-01
DAV: 25 -0.252923688912E+02 -0.12652E-04 -0.25059E-04 680 0.528E-02 0.190E-01
DAV: 26 -0.252924476687E+02 -0.78778E-04 -0.28229E-04 674 0.301E-02 0.272E-01
DAV: 27 -0.252923762187E+02 0.71450E-04 -0.15657E-04 553 0.208E-02 0.136E-01
DAV: 28 -0.252924403684E+02 -0.64150E-04 -0.36798E-05 305 0.156E-02 0.881E-02
DAV: 29 -0.252924832668E+02 -0.42898E-04 -0.49865E-05 251 0.143E-02 0.332E-02
DAV: 30 -0.252925047344E+02 -0.21468E-04 -0.15428E-05 216 0.123E-02 0.356E-02
DAV: 31 -0.252925053841E+02 -0.64966E-06 -0.11174E-05 230 0.776E-03
23 F= -.25292505E+02 E0= -.25169321E+02 d E =0.123097E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.230874041358E+02 0.22051E+01 -0.40050E+02 376 0.822E+01 0.901E+00
DAV: 2 -0.323661945954E+02 -0.92788E+01 -0.37425E+01 504 0.159E+01 0.282E+01
DAV: 3 -0.285663378232E+02 0.37999E+01 -0.18776E+01 640 0.698E+00 0.312E+01
DAV: 4 -0.275797257367E+02 0.98661E+00 -0.55530E+00 624 0.390E+00 0.213E+01
DAV: 5 -0.258361311437E+02 0.17436E+01 -0.51871E+00 656 0.357E+00 0.245E+01
DAV: 6 -0.257075435692E+02 0.12859E+00 -0.36381E+00 653 0.286E+00 0.201E+01
DAV: 7 -0.249780438893E+02 0.72950E+00 -0.82659E-01 600 0.160E+00 0.104E+01
DAV: 8 -0.249867994959E+02 -0.87556E-02 -0.10102E+00 660 0.105E+00 0.118E+01
DAV: 9 -0.249063412052E+02 0.80458E-01 -0.90833E-01 624 0.862E-01 0.946E+00
DAV: 10 -0.248056922738E+02 0.10065E+00 -0.21701E-01 656 0.694E-01 0.608E+00
DAV: 11 -0.247854253759E+02 0.20267E-01 -0.17757E-01 673 0.433E-01 0.330E+00
DAV: 12 -0.247892025205E+02 -0.37771E-02 -0.10411E-01 688 0.385E-01 0.358E+00
DAV: 13 -0.247877209137E+02 0.14816E-02 -0.26692E-02 594 0.295E-01 0.390E+00
DAV: 14 -0.247801583041E+02 0.75626E-02 -0.26149E-02 688 0.184E-01 0.226E+00
DAV: 15 -0.247834404249E+02 -0.32821E-02 -0.38073E-02 656 0.241E-01 0.157E+00
DAV: 16 -0.247835864225E+02 -0.14600E-03 -0.15062E-02 720 0.231E-01 0.130E+00
DAV: 17 -0.247849182377E+02 -0.13318E-02 -0.28894E-02 681 0.186E-01 0.192E+00
DAV: 18 -0.247818399851E+02 0.30783E-02 -0.11564E-02 704 0.175E-01 0.103E+00
DAV: 19 -0.247815654959E+02 0.27449E-03 -0.44497E-03 674 0.123E-01 0.746E-01
DAV: 20 -0.247812887219E+02 0.27677E-03 -0.23716E-03 688 0.918E-02 0.473E-01
DAV: 21 -0.247814177815E+02 -0.12906E-03 -0.19683E-03 713 0.746E-02 0.425E-01
DAV: 22 -0.247813051119E+02 0.11267E-03 -0.16563E-03 624 0.622E-02 0.309E-01
DAV: 23 -0.247812700125E+02 0.35099E-04 -0.79966E-04 649 0.572E-02 0.131E-01
DAV: 24 -0.247813467753E+02 -0.76763E-04 -0.29100E-04 656 0.341E-02 0.112E-01
DAV: 25 -0.247813959306E+02 -0.49155E-04 -0.12801E-04 561 0.263E-02 0.128E-01
DAV: 26 -0.247813750587E+02 0.20872E-04 -0.58632E-05 344 0.167E-02 0.549E-02
DAV: 27 -0.247813897652E+02 -0.14706E-04 -0.31297E-05 354 0.131E-02 0.557E-02
DAV: 28 -0.247813911540E+02 -0.13888E-05 -0.13392E-05 258 0.879E-03
24 F= -.24781391E+02 E0= -.24659012E+02 d E =0.511114E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.245723927699E+02 0.20900E+00 -0.89170E+00 376 0.128E+01 0.695E-01
DAV: 2 -0.249762495718E+02 -0.40386E+00 -0.14359E+00 672 0.190E+00 0.129E+01
DAV: 3 -0.246324426015E+02 0.34381E+00 -0.94984E-01 543 0.119E+00 0.810E+00
DAV: 4 -0.245958701117E+02 0.36572E-01 -0.51879E-01 672 0.763E-01 0.386E+00
DAV: 5 -0.246220175957E+02 -0.26147E-01 -0.26259E-01 649 0.552E-01 0.527E+00
DAV: 6 -0.245950083004E+02 0.27009E-01 -0.21906E-01 656 0.436E-01 0.277E+00
DAV: 7 -0.246189970618E+02 -0.23989E-01 -0.17136E-01 688 0.367E-01 0.421E+00
DAV: 8 -0.245890919534E+02 0.29905E-01 -0.89283E-02 672 0.366E-01 0.964E-01
DAV: 9 -0.245908727330E+02 -0.17808E-02 -0.18400E-02 681 0.246E-01 0.340E-01
DAV: 10 -0.245920517882E+02 -0.11791E-02 -0.83673E-03 688 0.124E-01 0.532E-01
DAV: 11 -0.245917051331E+02 0.34666E-03 -0.87375E-03 665 0.978E-02 0.461E-01
DAV: 12 -0.245911903525E+02 0.51478E-03 -0.46433E-03 688 0.775E-02 0.277E-01
DAV: 13 -0.245910532097E+02 0.13714E-03 -0.23169E-03 688 0.639E-02 0.168E-01
DAV: 14 -0.245910513631E+02 0.18466E-05 -0.10159E-03 681 0.492E-02 0.124E-01
DAV: 15 -0.245910155614E+02 0.35802E-04 -0.59844E-04 688 0.377E-02 0.901E-02
DAV: 16 -0.245910130848E+02 0.24766E-05 -0.30450E-04 648 0.268E-02 0.670E-02
DAV: 17 -0.245910094251E+02 0.36597E-05 -0.14803E-04 563 0.195E-02 0.418E-02
DAV: 18 -0.245910067782E+02 0.26470E-05 -0.47672E-05 267 0.144E-02
25 F= -.24591007E+02 E0= -.24466900E+02 d E =0.190384E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.209045215391E+02 0.36865E+01 -0.57034E+02 376 0.101E+02 0.958E+00
DAV: 2 -0.376568099291E+02 -0.16752E+02 -0.71434E+01 570 0.220E+01 0.333E+01
DAV: 3 -0.300599710198E+02 0.75968E+01 -0.23489E+01 637 0.912E+00 0.349E+01
DAV: 4 -0.251580089168E+02 0.49020E+01 -0.15167E+01 637 0.538E+00 0.218E+01
DAV: 5 -0.252024791692E+02 -0.44470E-01 -0.68134E+00 688 0.367E+00 0.290E+01
DAV: 6 -0.250030002544E+02 0.19948E+00 -0.65374E+00 580 0.431E+00 0.221E+01
DAV: 7 -0.237910128024E+02 0.12120E+01 -0.17607E+00 640 0.279E+00 0.128E+01
DAV: 8 -0.238837401658E+02 -0.92727E-01 -0.34088E+00 657 0.204E+00 0.158E+01
DAV: 9 -0.238371890753E+02 0.46551E-01 -0.24259E+00 672 0.174E+00 0.136E+01
DAV: 10 -0.234884001352E+02 0.34879E+00 -0.78073E-01 688 0.139E+00 0.621E+00
DAV: 11 -0.234811122533E+02 0.72879E-02 -0.31093E-01 651 0.876E-01 0.369E+00
DAV: 12 -0.234853595972E+02 -0.42473E-02 -0.14061E-01 688 0.471E-01 0.364E+00
DAV: 13 -0.235000556538E+02 -0.14696E-01 -0.16820E-01 674 0.494E-01 0.466E+00
DAV: 14 -0.235066659503E+02 -0.66103E-02 -0.12527E-01 688 0.488E-01 0.510E+00
DAV: 15 -0.234828283894E+02 0.23838E-01 -0.82625E-02 681 0.447E-01 0.438E+00
DAV: 16 -0.234725385014E+02 0.10290E-01 -0.66377E-02 688 0.360E-01 0.265E+00
DAV: 17 -0.234706709730E+02 0.18675E-02 -0.23044E-02 659 0.276E-01 0.171E+00
DAV: 18 -0.234748828177E+02 -0.42118E-02 -0.19251E-02 688 0.192E-01 0.219E+00
DAV: 19 -0.234748443344E+02 0.38483E-04 -0.20749E-02 681 0.202E-01 0.186E+00
DAV: 20 -0.234718273271E+02 0.30170E-02 -0.14992E-02 688 0.180E-01 0.816E-01
DAV: 21 -0.234719839507E+02 -0.15662E-03 -0.65196E-03 659 0.133E-01 0.381E-01
DAV: 22 -0.234724524904E+02 -0.46854E-03 -0.33150E-03 688 0.945E-02 0.365E-01
DAV: 23 -0.234725087574E+02 -0.56267E-04 -0.17277E-03 681 0.799E-02 0.374E-01
DAV: 24 -0.234725126380E+02 -0.38807E-05 -0.96163E-04 640 0.520E-02 0.267E-01
DAV: 25 -0.234725225878E+02 -0.99497E-05 -0.56177E-04 626 0.447E-02 0.113E-01
DAV: 26 -0.234726045745E+02 -0.81987E-04 -0.20745E-04 608 0.316E-02 0.121E-01
DAV: 27 -0.234725955505E+02 0.90240E-05 -0.86629E-05 570 0.258E-02
26 F= -.23472596E+02 E0= -.23331594E+02 d E =0.111841E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.234371276470E+02 0.35477E-01 -0.36247E+01 376 0.250E+01 0.132E+00
DAV: 2 -0.250435239572E+02 -0.16064E+01 -0.44855E+00 594 0.353E+00 0.223E+01
DAV: 3 -0.236017993714E+02 0.14417E+01 -0.18329E+00 632 0.204E+00 0.105E+01
DAV: 4 -0.235425181473E+02 0.59281E-01 -0.10065E+00 649 0.120E+00 0.600E+00
DAV: 5 -0.235927781131E+02 -0.50260E-01 -0.49075E-01 688 0.876E-01 0.696E+00
DAV: 6 -0.235330910229E+02 0.59687E-01 -0.41943E-01 681 0.719E-01 0.366E+00
DAV: 7 -0.235152726994E+02 0.17818E-01 -0.13263E-01 688 0.579E-01 0.213E+00
DAV: 8 -0.235329931949E+02 -0.17720E-01 -0.15908E-01 636 0.383E-01 0.503E+00
DAV: 9 -0.235013361298E+02 0.31657E-01 -0.10213E-01 672 0.332E-01 0.703E-01
DAV: 10 -0.235111388625E+02 -0.98027E-02 -0.16200E-02 690 0.217E-01 0.540E-01
DAV: 11 -0.235112144034E+02 -0.75541E-04 -0.10621E-02 706 0.144E-01 0.558E-01
DAV: 12 -0.235107731134E+02 0.44129E-03 -0.85547E-03 681 0.101E-01 0.486E-01
DAV: 13 -0.235101836373E+02 0.58948E-03 -0.40994E-03 681 0.842E-02 0.261E-01
DAV: 14 -0.235103007870E+02 -0.11715E-03 -0.24210E-03 713 0.694E-02 0.233E-01
DAV: 15 -0.235102991172E+02 0.16698E-05 -0.16113E-03 705 0.602E-02 0.200E-01
DAV: 16 -0.235102069641E+02 0.92153E-04 -0.94718E-04 690 0.471E-02 0.109E-01
DAV: 17 -0.235102283648E+02 -0.21401E-04 -0.43716E-04 656 0.304E-02 0.102E-01
DAV: 18 -0.235102153620E+02 0.13003E-04 -0.22362E-04 609 0.241E-02 0.526E-02
DAV: 19 -0.235102136258E+02 0.17362E-05 -0.70725E-05 474 0.174E-02
27 F= -.23510214E+02 E0= -.23368073E+02 d E =-.376181E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.235144456908E+02 -0.42303E-02 -0.96614E-01 376 0.408E+00 0.231E-01
DAV: 2 -0.235909642836E+02 -0.76519E-01 -0.22519E-01 640 0.579E-01 0.707E+00
DAV: 3 -0.235042295311E+02 0.86735E-01 -0.22169E-01 581 0.515E-01 0.124E+00
DAV: 4 -0.235196030882E+02 -0.15374E-01 -0.39674E-02 632 0.311E-01 0.190E+00
DAV: 5 -0.235171485121E+02 0.24546E-02 -0.33961E-02 664 0.241E-01 0.135E+00
DAV: 6 -0.235169579016E+02 0.19061E-03 -0.25250E-02 609 0.177E-01 0.123E+00
DAV: 7 -0.235207119883E+02 -0.37541E-02 -0.29381E-02 688 0.168E-01 0.180E+00
DAV: 8 -0.235145133955E+02 0.61986E-02 -0.14832E-02 681 0.175E-01 0.162E-01
DAV: 9 -0.235161613702E+02 -0.16480E-02 -0.18267E-03 656 0.103E-01 0.166E-01
DAV: 10 -0.235162173228E+02 -0.55953E-04 -0.10542E-03 688 0.470E-02 0.155E-01
DAV: 11 -0.235161789597E+02 0.38363E-04 -0.62122E-04 632 0.345E-02 0.112E-01
DAV: 12 -0.235161654420E+02 0.13518E-04 -0.35523E-04 664 0.245E-02 0.817E-02
DAV: 13 -0.235161586162E+02 0.68258E-05 -0.18412E-04 632 0.197E-02 0.572E-02
DAV: 14 -0.235161450132E+02 0.13603E-04 -0.76235E-05 488 0.148E-02 0.261E-02
DAV: 15 -0.235161474816E+02 -0.24684E-05 -0.21087E-05 274 0.111E-02
28 F= -.23516147E+02 E0= -.23373829E+02 d E =-.593386E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.236385097000E+02 -0.12236E+00 -0.20222E+01 376 0.189E+01 0.724E-01
DAV: 2 -0.239634178631E+02 -0.32491E+00 -0.12777E+00 423 0.245E+00 0.137E+01
DAV: 3 -0.236606576515E+02 0.30276E+00 -0.61241E-01 584 0.852E-01 0.374E+00
DAV: 4 -0.237316123767E+02 -0.70955E-01 -0.34292E-01 672 0.601E-01 0.559E+00
DAV: 5 -0.237026296313E+02 0.28983E-01 -0.35729E-01 674 0.581E-01 0.447E+00
DAV: 6 -0.237207612075E+02 -0.18132E-01 -0.34435E-01 688 0.578E-01 0.599E+00
DAV: 7 -0.236927914392E+02 0.27970E-01 -0.25567E-01 656 0.505E-01 0.408E+00
DAV: 8 -0.236789076500E+02 0.13884E-01 -0.91365E-02 658 0.397E-01 0.109E+00
DAV: 9 -0.236832450687E+02 -0.43374E-02 -0.20756E-02 673 0.272E-01 0.556E-01
DAV: 10 -0.236832973712E+02 -0.52302E-04 -0.99330E-03 688 0.143E-01 0.519E-01
DAV: 11 -0.236834089128E+02 -0.11154E-03 -0.88677E-03 712 0.998E-02 0.491E-01
DAV: 12 -0.236827801899E+02 0.62872E-03 -0.55773E-03 688 0.810E-02 0.327E-01
DAV: 13 -0.236825414055E+02 0.23878E-03 -0.20857E-03 697 0.634E-02 0.212E-01
DAV: 14 -0.236826223198E+02 -0.80914E-04 -0.14350E-03 688 0.522E-02 0.147E-01
DAV: 15 -0.236826521381E+02 -0.29818E-04 -0.84225E-04 681 0.475E-02 0.131E-01
DAV: 16 -0.236826200292E+02 0.32109E-04 -0.52710E-04 681 0.355E-02 0.924E-02
DAV: 17 -0.236826323226E+02 -0.12293E-04 -0.26303E-04 656 0.253E-02 0.781E-02
DAV: 18 -0.236826220489E+02 0.10274E-04 -0.14219E-04 584 0.188E-02 0.479E-02
DAV: 19 -0.236826258978E+02 -0.38489E-05 -0.27004E-05 328 0.135E-02
29 F= -.23682626E+02 E0= -.23541116E+02 d E =-.166478E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.218120880221E+02 0.18705E+01 -0.32170E+02 376 0.754E+01 0.596E+00
DAV: 2 -0.310483019044E+02 -0.92362E+01 -0.37003E+01 562 0.148E+01 0.276E+01
DAV: 3 -0.265447948821E+02 0.45035E+01 -0.11302E+01 616 0.598E+00 0.249E+01
DAV: 4 -0.234659650542E+02 0.30788E+01 -0.38085E+00 653 0.391E+00 0.187E+01
DAV: 5 -0.242591785226E+02 -0.79321E+00 -0.52063E+00 601 0.287E+00 0.279E+01
DAV: 6 -0.239641523736E+02 0.29503E+00 -0.42892E+00 688 0.219E+00 0.191E+01
DAV: 7 -0.236418653852E+02 0.32229E+00 -0.22564E+00 653 0.249E+00 0.183E+01
DAV: 8 -0.230468295783E+02 0.59504E+00 -0.11320E+00 656 0.161E+00 0.629E+00
DAV: 9 -0.230772048497E+02 -0.30375E-01 -0.64767E-01 688 0.112E+00 0.771E+00
DAV: 10 -0.230302019068E+02 0.47003E-01 -0.27695E-01 688 0.739E-01 0.370E+00
DAV: 11 -0.230173762559E+02 0.12826E-01 -0.23160E-01 680 0.581E-01 0.245E+00
DAV: 12 -0.230226389055E+02 -0.52626E-02 -0.17221E-01 688 0.473E-01 0.283E+00
DAV: 13 -0.230184710038E+02 0.41679E-02 -0.12857E-01 688 0.439E-01 0.371E+00
DAV: 14 -0.230053439335E+02 0.13127E-01 -0.83526E-02 688 0.347E-01 0.177E+00
DAV: 15 -0.230072543520E+02 -0.19104E-02 -0.52248E-02 681 0.330E-01 0.158E+00
DAV: 16 -0.230071301439E+02 0.12421E-03 -0.22488E-02 681 0.282E-01 0.125E+00
DAV: 17 -0.230062468813E+02 0.88326E-03 -0.18547E-02 681 0.193E-01 0.586E-01
DAV: 18 -0.230073486729E+02 -0.11018E-02 -0.88865E-03 688 0.172E-01 0.593E-01
DAV: 19 -0.230063663003E+02 0.98237E-03 -0.58115E-03 667 0.114E-01 0.320E-01
DAV: 20 -0.230067009343E+02 -0.33463E-03 -0.27713E-03 688 0.845E-02 0.341E-01
DAV: 21 -0.230067592712E+02 -0.58337E-04 -0.22995E-03 628 0.647E-02 0.290E-01
DAV: 22 -0.230066360445E+02 0.12323E-03 -0.13384E-03 688 0.538E-02 0.315E-01
DAV: 23 -0.230066821233E+02 -0.46079E-04 -0.44377E-04 681 0.383E-02 0.372E-01
DAV: 24 -0.230065941296E+02 0.87994E-04 -0.26312E-04 626 0.302E-02 0.290E-01
DAV: 25 -0.230066088622E+02 -0.14733E-04 -0.75299E-04 656 0.316E-02 0.180E-01
DAV: 26 -0.230066720535E+02 -0.63191E-04 -0.12234E-04 476 0.367E-02 0.240E-01
DAV: 27 -0.230066377734E+02 0.34280E-04 -0.26990E-05 312 0.170E-02 0.238E-01
DAV: 28 -0.230065828149E+02 0.54958E-04 -0.68614E-05 251 0.125E-02 0.105E-01
DAV: 29 -0.230066022951E+02 -0.19480E-04 -0.30150E-05 251 0.141E-02 0.226E-02
DAV: 30 -0.230066126690E+02 -0.10374E-04 -0.38292E-06 275 0.102E-02 0.275E-02
DAV: 31 -0.230066125747E+02 0.94373E-07 0.14211E-06 244 0.627E-03
30 F= -.23006613E+02 E0= -.22858156E+02 d E =0.676013E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.222584605533E+02 0.74815E+00 -0.13459E+02 376 0.488E+01 0.273E+00
DAV: 2 -0.242628596041E+02 -0.20044E+01 -0.88181E+00 392 0.830E+00 0.143E+01
DAV: 3 -0.234066217859E+02 0.85624E+00 -0.37722E+00 562 0.280E+00 0.165E+01
DAV: 4 -0.228483839454E+02 0.55824E+00 -0.96762E-01 674 0.144E+00 0.136E+01
DAV: 5 -0.228919816876E+02 -0.43598E-01 -0.18972E+00 688 0.130E+00 0.960E+00
DAV: 6 -0.228183212559E+02 0.73660E-01 -0.10741E+00 674 0.120E+00 0.787E+00
DAV: 7 -0.227606923143E+02 0.57629E-01 -0.60824E-01 688 0.100E+00 0.759E+00
DAV: 8 -0.227209823296E+02 0.39710E-01 -0.33616E-01 557 0.764E-01 0.533E+00
DAV: 9 -0.227472293935E+02 -0.26247E-01 -0.31362E-01 688 0.564E-01 0.636E+00
DAV: 10 -0.226965977523E+02 0.50632E-01 -0.22888E-01 660 0.548E-01 0.329E+00
DAV: 11 -0.226922897103E+02 0.43080E-02 -0.76803E-02 672 0.452E-01 0.118E+00
DAV: 12 -0.226957012322E+02 -0.34115E-02 -0.40420E-02 688 0.308E-01 0.136E+00
DAV: 13 -0.226936266355E+02 0.20746E-02 -0.24212E-02 688 0.254E-01 0.133E+00
DAV: 14 -0.226912734910E+02 0.23531E-02 -0.15348E-02 681 0.202E-01 0.594E-01
DAV: 15 -0.226928905622E+02 -0.16171E-02 -0.80236E-03 658 0.158E-01 0.475E-01
DAV: 16 -0.226930396906E+02 -0.14913E-03 -0.44254E-03 688 0.118E-01 0.275E-01
DAV: 17 -0.226933179412E+02 -0.27825E-03 -0.25609E-03 681 0.934E-02 0.200E-01
DAV: 18 -0.226935107206E+02 -0.19278E-03 -0.21127E-03 688 0.715E-02 0.211E-01
DAV: 19 -0.226934062605E+02 0.10446E-03 -0.13289E-03 674 0.563E-02 0.224E-01
DAV: 20 -0.226933692991E+02 0.36961E-04 -0.52281E-04 688 0.396E-02 0.106E-01
DAV: 21 -0.226934067636E+02 -0.37464E-04 -0.24837E-04 625 0.279E-02 0.793E-02
DAV: 22 -0.226934204645E+02 -0.13701E-04 -0.12688E-04 544 0.226E-02 0.902E-02
DAV: 23 -0.226934177601E+02 0.27044E-05 -0.14441E-04 601 0.175E-02 0.555E-02
DAV: 24 -0.226934227466E+02 -0.49865E-05 -0.59402E-05 384 0.139E-02
31 F= -.22693423E+02 E0= -.22542677E+02 d E =0.313190E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.227489943021E+02 -0.55577E-01 -0.20016E+01 376 0.180E+01 0.720E-01
DAV: 2 -0.229902192605E+02 -0.24122E+00 -0.95287E-01 492 0.215E+00 0.105E+01
DAV: 3 -0.227822085468E+02 0.20801E+00 -0.45237E-01 600 0.807E-01 0.338E+00
DAV: 4 -0.228489105597E+02 -0.66702E-01 -0.45438E-01 638 0.700E-01 0.649E+00
DAV: 5 -0.228044566364E+02 0.44454E-01 -0.18988E-01 688 0.617E-01 0.456E+00
DAV: 6 -0.228018169569E+02 0.26397E-02 -0.18008E-01 660 0.498E-01 0.355E+00
DAV: 7 -0.228092368917E+02 -0.74199E-02 -0.20674E-01 688 0.414E-01 0.427E+00
DAV: 8 -0.227830053603E+02 0.26232E-01 -0.11703E-01 656 0.373E-01 0.115E+00
DAV: 9 -0.227884999774E+02 -0.54946E-02 -0.32249E-02 688 0.275E-01 0.759E-01
DAV: 10 -0.227880170536E+02 0.48292E-03 -0.13590E-02 665 0.157E-01 0.584E-01
DAV: 11 -0.227882601452E+02 -0.24309E-03 -0.11513E-02 688 0.110E-01 0.468E-01
DAV: 12 -0.227876497703E+02 0.61037E-03 -0.63668E-03 688 0.103E-01 0.313E-01
DAV: 13 -0.227874184107E+02 0.23136E-03 -0.39650E-03 696 0.931E-02 0.307E-01
DAV: 14 -0.227873854254E+02 0.32985E-04 -0.17000E-03 688 0.662E-02 0.267E-01
DAV: 15 -0.227873633844E+02 0.22041E-04 -0.77235E-04 681 0.501E-02 0.184E-01
DAV: 16 -0.227873892692E+02 -0.25885E-04 -0.53691E-04 656 0.369E-02 0.129E-01
DAV: 17 -0.227874062304E+02 -0.16961E-04 -0.33217E-04 635 0.308E-02 0.789E-02
DAV: 18 -0.227873924504E+02 0.13780E-04 -0.14781E-04 624 0.239E-02 0.513E-02
DAV: 19 -0.227873890482E+02 0.34022E-05 -0.40312E-05 339 0.151E-02
32 F= -.22787389E+02 E0= -.22637359E+02 d E =-.939663E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.227964450162E+02 -0.90526E-02 -0.10467E+01 376 0.134E+01 0.532E-01
DAV: 2 -0.230360881032E+02 -0.23964E+00 -0.80076E-01 521 0.170E+00 0.114E+01
DAV: 3 -0.227937389210E+02 0.24235E+00 -0.39321E-01 572 0.763E-01 0.217E+00
DAV: 4 -0.228386811480E+02 -0.44942E-01 -0.24569E-01 664 0.574E-01 0.433E+00
DAV: 5 -0.228260593954E+02 0.12622E-01 -0.16305E-01 672 0.485E-01 0.315E+00
DAV: 6 -0.228290847816E+02 -0.30254E-02 -0.10350E-01 665 0.391E-01 0.329E+00
DAV: 7 -0.228294872545E+02 -0.40247E-03 -0.11152E-01 688 0.309E-01 0.331E+00
DAV: 8 -0.228158139217E+02 0.13673E-01 -0.75605E-02 672 0.286E-01 0.119E+00
DAV: 9 -0.228163962312E+02 -0.58231E-03 -0.24772E-02 616 0.218E-01 0.447E-01
DAV: 10 -0.228167665727E+02 -0.37034E-03 -0.68144E-03 688 0.117E-01 0.312E-01
DAV: 11 -0.228169176136E+02 -0.15104E-03 -0.34883E-03 681 0.842E-02 0.306E-01
DAV: 12 -0.228168347760E+02 0.82838E-04 -0.27524E-03 688 0.752E-02 0.214E-01
DAV: 13 -0.228167780497E+02 0.56726E-04 -0.19151E-03 681 0.618E-02 0.153E-01
DAV: 14 -0.228167478765E+02 0.30173E-04 -0.75984E-04 649 0.442E-02 0.120E-01
DAV: 15 -0.228167718858E+02 -0.24009E-04 -0.51678E-04 680 0.333E-02 0.115E-01
DAV: 16 -0.228167951729E+02 -0.23287E-04 -0.36468E-04 656 0.280E-02 0.917E-02
DAV: 17 -0.228167821068E+02 0.13066E-04 -0.27174E-04 640 0.270E-02 0.421E-02
DAV: 18 -0.228167800830E+02 0.20238E-05 -0.12178E-04 624 0.189E-02 0.323E-02
DAV: 19 -0.228167783576E+02 0.17254E-05 -0.19371E-05 289 0.108E-02
33 F= -.22816778E+02 E0= -.22665833E+02 d E =-.293893E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.226879239177E+02 0.12886E+00 -0.29784E+01 376 0.219E+01 0.102E+00
DAV: 2 -0.235301107320E+02 -0.84219E+00 -0.25650E+00 541 0.290E+00 0.180E+01
DAV: 3 -0.228218103101E+02 0.70830E+00 -0.13424E+00 554 0.174E+00 0.985E+00
DAV: 4 -0.227693707578E+02 0.52440E-01 -0.80321E-01 635 0.956E-01 0.540E+00
DAV: 5 -0.228296476437E+02 -0.60277E-01 -0.58401E-01 665 0.789E-01 0.854E+00
DAV: 6 -0.227667650542E+02 0.62883E-01 -0.42956E-01 688 0.709E-01 0.476E+00
DAV: 7 -0.227813666199E+02 -0.14602E-01 -0.36521E-01 688 0.580E-01 0.443E+00
DAV: 8 -0.227494894944E+02 0.31877E-01 -0.14721E-01 674 0.482E-01 0.150E+00
DAV: 9 -0.227483098452E+02 0.11796E-02 -0.41444E-02 688 0.316E-01 0.769E-01
DAV: 10 -0.227494701986E+02 -0.11604E-02 -0.15358E-02 680 0.175E-01 0.629E-01
DAV: 11 -0.227492907987E+02 0.17940E-03 -0.95417E-03 696 0.133E-01 0.412E-01
DAV: 12 -0.227491786615E+02 0.11214E-03 -0.49696E-03 720 0.117E-01 0.339E-01
DAV: 13 -0.227489123654E+02 0.26630E-03 -0.29028E-03 713 0.885E-02 0.238E-01
DAV: 14 -0.227489067568E+02 0.56086E-05 -0.98169E-04 666 0.594E-02 0.198E-01
DAV: 15 -0.227489553839E+02 -0.48627E-04 -0.59424E-04 680 0.437E-02 0.170E-01
DAV: 16 -0.227490481011E+02 -0.92717E-04 -0.77433E-04 656 0.389E-02 0.140E-01
DAV: 17 -0.227490520275E+02 -0.39264E-05 -0.54162E-04 658 0.408E-02 0.100E-01
DAV: 18 -0.227490263317E+02 0.25696E-04 -0.17462E-04 601 0.268E-02 0.555E-02
DAV: 19 -0.227490361471E+02 -0.98154E-05 -0.56385E-05 408 0.156E-02
34 F= -.22749036E+02 E0= -.22599267E+02 d E =0.677422E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.226178829748E+02 0.13114E+00 -0.21476E+01 376 0.197E+01 0.756E-01
DAV: 2 -0.228306561786E+02 -0.21277E+00 -0.87775E-01 376 0.236E+00 0.102E+01
DAV: 3 -0.226741738124E+02 0.15648E+00 -0.68402E-01 688 0.730E-01 0.469E+00
DAV: 4 -0.227158044573E+02 -0.41631E-01 -0.40258E-01 688 0.643E-01 0.617E+00
DAV: 5 -0.226667724648E+02 0.49032E-01 -0.27999E-01 688 0.637E-01 0.349E+00
DAV: 6 -0.227104514096E+02 -0.43679E-01 -0.33728E-01 667 0.561E-01 0.615E+00
DAV: 7 -0.226573744712E+02 0.53077E-01 -0.17632E-01 672 0.527E-01 0.250E+00
DAV: 8 -0.226613560581E+02 -0.39816E-02 -0.71535E-02 617 0.358E-01 0.154E+00
DAV: 9 -0.226593911518E+02 0.19649E-02 -0.25722E-02 680 0.264E-01 0.362E-01
DAV: 10 -0.226614139961E+02 -0.20228E-02 -0.85262E-03 720 0.138E-01 0.555E-01
DAV: 11 -0.226611450806E+02 0.26892E-03 -0.84503E-03 688 0.101E-01 0.489E-01
DAV: 12 -0.226604421536E+02 0.70293E-03 -0.43453E-03 697 0.784E-02 0.233E-01
DAV: 13 -0.226603712777E+02 0.70876E-04 -0.17283E-03 720 0.613E-02 0.154E-01
DAV: 14 -0.226604446381E+02 -0.73360E-04 -0.10819E-03 704 0.504E-02 0.132E-01
DAV: 15 -0.226604116985E+02 0.32940E-04 -0.53173E-04 697 0.451E-02 0.117E-01
DAV: 16 -0.226604116093E+02 0.89178E-07 -0.33327E-04 641 0.300E-02 0.972E-02
DAV: 17 -0.226604360996E+02 -0.24490E-04 -0.24929E-04 665 0.253E-02 0.795E-02
DAV: 18 -0.226604141194E+02 0.21980E-04 -0.13089E-04 499 0.204E-02 0.373E-02
DAV: 19 -0.226604124336E+02 0.16858E-05 -0.30430E-05 277 0.137E-02
35 F= -.22660412E+02 E0= -.22508456E+02 d E =0.886237E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.222920582147E+02 0.36836E+00 -0.60940E+01 376 0.323E+01 0.145E+00
DAV: 2 -0.231574964346E+02 -0.86544E+00 -0.33691E+00 529 0.430E+00 0.164E+01
DAV: 3 -0.227610021012E+02 0.39649E+00 -0.17073E+00 613 0.161E+00 0.136E+01
DAV: 4 -0.225216246719E+02 0.23938E+00 -0.14880E+00 688 0.135E+00 0.790E+00
DAV: 5 -0.224957883996E+02 0.25836E-01 -0.67436E-01 666 0.109E+00 0.715E+00
DAV: 6 -0.226560450807E+02 -0.16026E+00 -0.10288E+00 688 0.985E-01 0.121E+01
DAV: 7 -0.224560235948E+02 0.20002E+00 -0.58999E-01 640 0.901E-01 0.414E+00
DAV: 8 -0.224362912263E+02 0.19732E-01 -0.19570E-01 608 0.671E-01 0.199E+00
DAV: 9 -0.224507940919E+02 -0.14503E-01 -0.14870E-01 688 0.392E-01 0.376E+00
DAV: 10 -0.224345056205E+02 0.16288E-01 -0.10141E-01 681 0.379E-01 0.124E+00
DAV: 11 -0.224393017252E+02 -0.47961E-02 -0.31283E-02 704 0.292E-01 0.815E-01
DAV: 12 -0.224373203126E+02 0.19814E-02 -0.14830E-02 713 0.193E-01 0.552E-01
DAV: 13 -0.224366659352E+02 0.65438E-03 -0.90047E-03 720 0.134E-01 0.321E-01
DAV: 14 -0.224372416499E+02 -0.57571E-03 -0.60895E-03 688 0.113E-01 0.420E-01
DAV: 15 -0.224371496585E+02 0.91991E-04 -0.35582E-03 720 0.111E-01 0.361E-01
DAV: 16 -0.224369509183E+02 0.19874E-03 -0.22367E-03 697 0.738E-02 0.217E-01
DAV: 17 -0.224371180259E+02 -0.16711E-03 -0.14397E-03 688 0.563E-02 0.167E-01
DAV: 18 -0.224370272563E+02 0.90770E-04 -0.57846E-04 656 0.427E-02 0.703E-02
DAV: 19 -0.224370520276E+02 -0.24771E-04 -0.27583E-04 656 0.273E-02 0.639E-02
DAV: 20 -0.224370616122E+02 -0.95846E-05 -0.13021E-04 632 0.225E-02 0.539E-02
DAV: 21 -0.224370499385E+02 0.11674E-04 -0.22811E-05 320 0.163E-02 0.328E-02
DAV: 22 -0.224370494355E+02 0.50300E-06 0.17135E-06 416 0.114E-02
36 F= -.22437049E+02 E0= -.22279436E+02 d E =0.223363E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.224335545332E+02 0.34954E-02 -0.52078E-02 376 0.964E-01 0.563E-02
DAV: 2 -0.224363516349E+02 -0.27971E-02 -0.96580E-03 624 0.145E-01 0.127E+00
DAV: 3 -0.224332991285E+02 0.30525E-02 -0.11121E-02 517 0.129E-01 0.558E-01
DAV: 4 -0.224340327595E+02 -0.73363E-03 -0.42231E-03 688 0.973E-02 0.616E-01
DAV: 5 -0.224335768103E+02 0.45595E-03 -0.21036E-03 665 0.723E-02 0.269E-01
DAV: 6 -0.224337466382E+02 -0.16983E-03 -0.10883E-03 665 0.473E-02 0.288E-01
DAV: 7 -0.224338243873E+02 -0.77749E-04 -0.14183E-03 625 0.410E-02 0.375E-01
DAV: 8 -0.224336690890E+02 0.15530E-03 -0.11178E-03 577 0.407E-02 0.236E-01
DAV: 9 -0.224336377277E+02 0.31361E-04 -0.33076E-04 489 0.338E-02 0.655E-02
DAV: 10 -0.224336338200E+02 0.39076E-05 -0.56976E-05 426 0.188E-02
37 F= -.22433634E+02 E0= -.22275898E+02 d E =0.341562E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.219542361770E+02 0.47940E+00 -0.76961E+01 376 0.356E+01 0.180E+00
DAV: 2 -0.231727006798E+02 -0.12185E+01 -0.48386E+00 492 0.533E+00 0.188E+01
DAV: 3 -0.224357391099E+02 0.73696E+00 -0.23022E+00 664 0.202E+00 0.138E+01
DAV: 4 -0.223383549681E+02 0.97384E-01 -0.12379E+00 667 0.142E+00 0.110E+01
DAV: 5 -0.222952037922E+02 0.43151E-01 -0.10257E+00 688 0.106E+00 0.102E+01
DAV: 6 -0.223325561576E+02 -0.37352E-01 -0.12232E+00 633 0.108E+00 0.928E+00
DAV: 7 -0.222181475713E+02 0.11441E+00 -0.47533E-01 688 0.913E-01 0.615E+00
DAV: 8 -0.221818979667E+02 0.36250E-01 -0.31223E-01 571 0.677E-01 0.316E+00
DAV: 9 -0.221772292940E+02 0.46687E-02 -0.76812E-02 680 0.450E-01 0.148E+00
DAV: 10 -0.221800748520E+02 -0.28456E-02 -0.41722E-02 642 0.279E-01 0.127E+00
DAV: 11 -0.221796721133E+02 0.40274E-03 -0.41255E-02 720 0.202E-01 0.983E-01
DAV: 12 -0.221783738301E+02 0.12983E-02 -0.24380E-02 688 0.188E-01 0.757E-01
DAV: 13 -0.221774539499E+02 0.91988E-03 -0.13059E-02 696 0.169E-01 0.642E-01
DAV: 14 -0.221774585061E+02 -0.45562E-05 -0.58941E-03 680 0.134E-01 0.625E-01
DAV: 15 -0.221772567259E+02 0.20178E-03 -0.45812E-03 689 0.103E-01 0.429E-01
DAV: 16 -0.221774936161E+02 -0.23689E-03 -0.30763E-03 681 0.821E-02 0.349E-01
DAV: 17 -0.221776613483E+02 -0.16773E-03 -0.20772E-03 674 0.745E-02 0.232E-01
DAV: 18 -0.221774647776E+02 0.19657E-03 -0.10139E-03 672 0.548E-02 0.118E-01
DAV: 19 -0.221775133337E+02 -0.48556E-04 -0.50667E-04 649 0.346E-02 0.973E-02
DAV: 20 -0.221775207148E+02 -0.73811E-05 -0.26903E-04 618 0.282E-02 0.796E-02
DAV: 21 -0.221774930634E+02 0.27651E-04 -0.52350E-05 624 0.217E-02 0.655E-02
DAV: 22 -0.221774825368E+02 0.10527E-04 0.25672E-05 500 0.160E-02 0.485E-02
DAV: 23 -0.221774743655E+02 0.81713E-05 0.60509E-05 321 0.124E-02
38 F= -.22177474E+02 E0= -.22014696E+02 d E =0.256159E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.215846439813E+02 0.59284E+00 -0.12421E+02 376 0.464E+01 0.229E+00
DAV: 2 -0.232919941964E+02 -0.17074E+01 -0.69913E+00 452 0.681E+00 0.220E+01
DAV: 3 -0.222573686056E+02 0.10346E+01 -0.16869E+00 672 0.207E+00 0.148E+01
DAV: 4 -0.221235460122E+02 0.13382E+00 -0.15795E+00 688 0.157E+00 0.114E+01
DAV: 5 -0.222139053765E+02 -0.90359E-01 -0.14675E+00 672 0.118E+00 0.121E+01
DAV: 6 -0.222631859295E+02 -0.49281E-01 -0.20192E+00 688 0.152E+00 0.125E+01
DAV: 7 -0.219491343194E+02 0.31405E+00 -0.76508E-01 632 0.132E+00 0.433E+00
DAV: 8 -0.219427276583E+02 0.64067E-02 -0.27113E-01 625 0.732E-01 0.326E+00
DAV: 9 -0.219677666984E+02 -0.25039E-01 -0.23962E-01 688 0.483E-01 0.544E+00
DAV: 10 -0.219312408641E+02 0.36526E-01 -0.18365E-01 681 0.494E-01 0.190E+00
DAV: 11 -0.219336353274E+02 -0.23945E-02 -0.64723E-02 688 0.372E-01 0.108E+00
DAV: 12 -0.219323742827E+02 0.12610E-02 -0.38360E-02 696 0.256E-01 0.819E-01
DAV: 13 -0.219326120188E+02 -0.23774E-03 -0.24163E-02 712 0.220E-01 0.943E-01
DAV: 14 -0.219311615279E+02 0.14505E-02 -0.14704E-02 705 0.184E-01 0.800E-01
DAV: 15 -0.219311010643E+02 0.60464E-04 -0.10144E-02 713 0.140E-01 0.639E-01
DAV: 16 -0.219316875557E+02 -0.58649E-03 -0.55064E-03 681 0.113E-01 0.486E-01
DAV: 17 -0.219317348930E+02 -0.47337E-04 -0.49805E-03 688 0.102E-01 0.388E-01
DAV: 18 -0.219313924547E+02 0.34244E-03 -0.31301E-03 674 0.865E-02 0.223E-01
DAV: 19 -0.219313398280E+02 0.52627E-04 -0.12361E-03 680 0.629E-02 0.135E-01
DAV: 20 -0.219314020336E+02 -0.62206E-04 -0.66939E-04 656 0.409E-02 0.112E-01
DAV: 21 -0.219314169053E+02 -0.14872E-04 -0.46657E-04 674 0.350E-02 0.116E-01
DAV: 22 -0.219314118539E+02 0.50515E-05 -0.35341E-04 656 0.290E-02 0.110E-01
DAV: 23 -0.219313982002E+02 0.13654E-04 -0.14759E-04 656 0.219E-02 0.587E-02
DAV: 24 -0.219314076987E+02 -0.94985E-05 -0.48517E-05 313 0.157E-02
39 F= -.21931408E+02 E0= -.21759569E+02 d E =0.246067E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.219366766599E+02 -0.52785E-02 -0.52308E-01 376 0.297E+00 0.126E-01
DAV: 2 -0.219562196574E+02 -0.19543E-01 -0.69270E-02 608 0.376E-01 0.360E+00
DAV: 3 -0.219332098238E+02 0.23010E-01 -0.52950E-02 478 0.287E-01 0.418E-01
DAV: 4 -0.219387948689E+02 -0.55850E-02 -0.10901E-02 672 0.170E-01 0.102E+00
DAV: 5 -0.219378031456E+02 0.99172E-03 -0.86254E-03 553 0.125E-01 0.601E-01
DAV: 6 -0.219387380907E+02 -0.93495E-03 -0.74256E-03 688 0.926E-02 0.851E-01
DAV: 7 -0.219375571010E+02 0.11810E-02 -0.42970E-03 681 0.953E-02 0.213E-01
DAV: 8 -0.219383035638E+02 -0.74646E-03 -0.30793E-03 659 0.713E-02 0.821E-01
DAV: 9 -0.219374105761E+02 0.89299E-03 -0.22259E-03 649 0.577E-02 0.112E-01
DAV: 10 -0.219376500589E+02 -0.23948E-03 -0.28948E-04 635 0.375E-02 0.612E-02
DAV: 11 -0.219376605954E+02 -0.10536E-04 -0.15668E-04 608 0.212E-02 0.547E-02
DAV: 12 -0.219376570139E+02 0.35814E-05 -0.74673E-05 330 0.165E-02
40 F= -.21937657E+02 E0= -.21765519E+02 d E =-.624932E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.219062773013E+02 0.31383E-01 -0.16462E+00 376 0.543E+00 0.225E-01
DAV: 2 -0.219456412098E+02 -0.39364E-01 -0.13396E-01 483 0.760E-01 0.502E+00
DAV: 3 -0.219043735897E+02 0.41268E-01 -0.97443E-02 482 0.398E-01 0.143E+00
DAV: 4 -0.219174538276E+02 -0.13080E-01 -0.48084E-02 651 0.258E-01 0.255E+00
DAV: 5 -0.219090676774E+02 0.83862E-02 -0.35234E-02 616 0.212E-01 0.920E-01
DAV: 6 -0.219135563905E+02 -0.44887E-02 -0.18917E-02 688 0.172E-01 0.156E+00
DAV: 7 -0.219108973072E+02 0.26591E-02 -0.20074E-02 688 0.171E-01 0.106E+00
DAV: 8 -0.219113882053E+02 -0.49090E-03 -0.14428E-02 642 0.133E-01 0.105E+00
DAV: 9 -0.219097655855E+02 0.16226E-02 -0.63489E-03 674 0.117E-01 0.214E-01
DAV: 10 -0.219100334420E+02 -0.26786E-03 -0.14674E-03 688 0.676E-02 0.140E-01
DAV: 11 -0.219100997358E+02 -0.66294E-04 -0.87815E-04 649 0.424E-02 0.133E-01
DAV: 12 -0.219100628751E+02 0.36861E-04 -0.63721E-04 649 0.363E-02 0.105E-01
DAV: 13 -0.219100173468E+02 0.45528E-04 -0.30720E-04 649 0.267E-02 0.680E-02
DAV: 14 -0.219100112695E+02 0.60773E-05 -0.13459E-04 625 0.188E-02 0.464E-02
DAV: 15 -0.219100171792E+02 -0.59097E-05 -0.60943E-05 343 0.147E-02
41 F= -.21910017E+02 E0= -.21737113E+02 d E =0.276398E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.213325927283E+02 0.57742E+00 -0.11357E+02 376 0.443E+01 0.221E+00
DAV: 2 -0.231391963674E+02 -0.18066E+01 -0.68184E+00 489 0.677E+00 0.194E+01
DAV: 3 -0.224828413312E+02 0.65636E+00 -0.23812E+00 550 0.245E+00 0.181E+01
DAV: 4 -0.220986959604E+02 0.38415E+00 -0.25600E+00 672 0.185E+00 0.202E+01
DAV: 5 -0.217203369786E+02 0.37836E+00 -0.17140E+00 680 0.140E+00 0.790E+00
DAV: 6 -0.218302242302E+02 -0.10989E+00 -0.11223E+00 688 0.116E+00 0.904E+00
DAV: 7 -0.218053531296E+02 0.24871E-01 -0.10809E+00 688 0.105E+00 0.827E+00
DAV: 8 -0.216556405518E+02 0.14971E+00 -0.43424E-01 681 0.876E-01 0.247E+00
DAV: 9 -0.216733701691E+02 -0.17730E-01 -0.15800E-01 688 0.518E-01 0.367E+00
DAV: 10 -0.216672763201E+02 0.60938E-02 -0.12930E-01 650 0.397E-01 0.294E+00
DAV: 11 -0.216624722488E+02 0.48041E-02 -0.79258E-02 688 0.340E-01 0.160E+00
DAV: 12 -0.216626704352E+02 -0.19819E-03 -0.31697E-02 665 0.265E-01 0.118E+00
DAV: 13 -0.216608117383E+02 0.18587E-02 -0.25153E-02 688 0.216E-01 0.807E-01
DAV: 14 -0.216607392036E+02 0.72535E-04 -0.13426E-02 681 0.186E-01 0.688E-01
DAV: 15 -0.216612602110E+02 -0.52101E-03 -0.91017E-03 688 0.151E-01 0.824E-01
DAV: 16 -0.216612039467E+02 0.56264E-04 -0.67155E-03 674 0.133E-01 0.766E-01
DAV: 17 -0.216603162591E+02 0.88769E-03 -0.38463E-03 681 0.105E-01 0.548E-01
DAV: 18 -0.216607265485E+02 -0.41029E-03 -0.25247E-03 681 0.793E-02 0.409E-01
DAV: 19 -0.216605056391E+02 0.22091E-03 -0.14059E-03 626 0.645E-02 0.202E-01
DAV: 20 -0.216606350918E+02 -0.12945E-03 -0.10261E-03 688 0.461E-02 0.127E-01
DAV: 21 -0.216606618785E+02 -0.26787E-04 -0.73581E-04 642 0.377E-02 0.117E-01
DAV: 22 -0.216606405906E+02 0.21288E-04 -0.43723E-04 688 0.329E-02 0.988E-02
DAV: 23 -0.216606256039E+02 0.14987E-04 -0.16286E-04 588 0.237E-02 0.707E-02
DAV: 24 -0.216606335347E+02 -0.79307E-05 -0.10700E-04 512 0.153E-02 0.394E-02
DAV: 25 -0.216606355187E+02 -0.19840E-05 -0.61062E-05 429 0.140E-02
42 F= -.21660636E+02 E0= -.21480404E+02 d E =0.249382E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.211504032753E+02 0.51023E+00 -0.11261E+02 376 0.439E+01 0.215E+00
DAV: 2 -0.225386945424E+02 -0.13883E+01 -0.60657E+00 460 0.634E+00 0.196E+01
DAV: 3 -0.220764822526E+02 0.46221E+00 -0.20915E+00 720 0.195E+00 0.177E+01
DAV: 4 -0.215337473736E+02 0.54273E+00 -0.17241E+00 681 0.163E+00 0.607E+00
DAV: 5 -0.221108306216E+02 -0.57708E+00 -0.18420E+00 688 0.162E+00 0.235E+01
DAV: 6 -0.215321417981E+02 0.57869E+00 -0.16775E+00 665 0.130E+00 0.713E+00
DAV: 7 -0.217318562074E+02 -0.19971E+00 -0.12062E+00 656 0.112E+00 0.129E+01
DAV: 8 -0.214788246106E+02 0.25303E+00 -0.75753E-01 660 0.102E+00 0.415E+00
DAV: 9 -0.214911268996E+02 -0.12302E-01 -0.19559E-01 640 0.686E-01 0.371E+00
DAV: 10 -0.214836639071E+02 0.74630E-02 -0.13935E-01 641 0.494E-01 0.211E+00
DAV: 11 -0.214819337784E+02 0.17301E-02 -0.72139E-02 688 0.342E-01 0.120E+00
DAV: 12 -0.214791022616E+02 0.28315E-02 -0.33161E-02 650 0.272E-01 0.874E-01
DAV: 13 -0.214783272267E+02 0.77503E-03 -0.22739E-02 688 0.200E-01 0.698E-01
DAV: 14 -0.214786535700E+02 -0.32634E-03 -0.13723E-02 667 0.169E-01 0.712E-01
DAV: 15 -0.214781433517E+02 0.51022E-03 -0.96843E-03 681 0.132E-01 0.531E-01
DAV: 16 -0.214782985772E+02 -0.15523E-03 -0.56356E-03 660 0.116E-01 0.397E-01
DAV: 17 -0.214780842708E+02 0.21431E-03 -0.39898E-03 688 0.988E-02 0.286E-01
DAV: 18 -0.214782978909E+02 -0.21362E-03 -0.26592E-03 688 0.857E-02 0.244E-01
DAV: 19 -0.214781384230E+02 0.15947E-03 -0.12503E-03 674 0.660E-02 0.157E-01
DAV: 20 -0.214781874814E+02 -0.49058E-04 -0.84259E-04 688 0.415E-02 0.156E-01
DAV: 21 -0.214781844461E+02 0.30353E-05 -0.55672E-04 688 0.380E-02 0.843E-02
DAV: 22 -0.214781765816E+02 0.78645E-05 -0.32402E-04 601 0.307E-02 0.612E-02
DAV: 23 -0.214781686822E+02 0.78994E-05 -0.11145E-04 474 0.206E-02 0.471E-02
DAV: 24 -0.214781778296E+02 -0.91475E-05 -0.79266E-05 392 0.149E-02
43 F= -.21478178E+02 E0= -.21293354E+02 d E =0.182458E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.215021760094E+02 -0.24007E-01 -0.24039E+01 376 0.207E+01 0.734E-01
DAV: 2 -0.217658525734E+02 -0.26368E+00 -0.10718E+00 452 0.269E+00 0.120E+01
DAV: 3 -0.215550976511E+02 0.21075E+00 -0.64266E-01 544 0.851E-01 0.410E+00
DAV: 4 -0.216222098604E+02 -0.67112E-01 -0.36079E-01 674 0.577E-01 0.735E+00
DAV: 5 -0.215678390888E+02 0.54371E-01 -0.29328E-01 640 0.542E-01 0.354E+00
DAV: 6 -0.216136076301E+02 -0.45769E-01 -0.26391E-01 688 0.536E-01 0.621E+00
DAV: 7 -0.215619809001E+02 0.51627E-01 -0.23303E-01 580 0.579E-01 0.341E+00
DAV: 8 -0.215602300424E+02 0.17509E-02 -0.78746E-02 649 0.425E-01 0.232E+00
DAV: 9 -0.215551405744E+02 0.50895E-02 -0.37739E-02 664 0.292E-01 0.606E-01
DAV: 10 -0.215577457127E+02 -0.26051E-02 -0.12386E-02 688 0.183E-01 0.549E-01
DAV: 11 -0.215571725784E+02 0.57313E-03 -0.80871E-03 628 0.148E-01 0.446E-01
DAV: 12 -0.215567866631E+02 0.38592E-03 -0.62786E-03 688 0.103E-01 0.384E-01
DAV: 13 -0.215569035322E+02 -0.11687E-03 -0.42210E-03 674 0.795E-02 0.364E-01
DAV: 14 -0.215566889336E+02 0.21460E-03 -0.22209E-03 688 0.677E-02 0.175E-01
DAV: 15 -0.215567618393E+02 -0.72906E-04 -0.14734E-03 681 0.575E-02 0.152E-01
DAV: 16 -0.215567572176E+02 0.46217E-05 -0.87125E-04 688 0.463E-02 0.129E-01
DAV: 17 -0.215567686325E+02 -0.11415E-04 -0.72508E-04 688 0.386E-02 0.104E-01
DAV: 18 -0.215567400321E+02 0.28600E-04 -0.32619E-04 605 0.296E-02 0.733E-02
DAV: 19 -0.215567220778E+02 0.17954E-04 -0.11674E-04 520 0.194E-02 0.318E-02
DAV: 20 -0.215567319588E+02 -0.98810E-05 -0.74062E-05 480 0.137E-02
44 F= -.21556732E+02 E0= -.21373710E+02 d E =-.785541E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.215089549904E+02 0.47767E-01 -0.48197E+00 376 0.930E+00 0.367E-01
DAV: 2 -0.216501132074E+02 -0.14116E+00 -0.46339E-01 600 0.120E+00 0.937E+00
DAV: 3 -0.215127522206E+02 0.13736E+00 -0.36733E-01 535 0.683E-01 0.251E+00
DAV: 4 -0.215325467834E+02 -0.19795E-01 -0.95541E-02 640 0.380E-01 0.347E+00
DAV: 5 -0.215209503517E+02 0.11596E-01 -0.79619E-02 680 0.316E-01 0.198E+00
DAV: 6 -0.215232134364E+02 -0.22631E-02 -0.47610E-02 656 0.281E-01 0.202E+00
DAV: 7 -0.215254415921E+02 -0.22282E-02 -0.43966E-02 688 0.261E-01 0.260E+00
DAV: 8 -0.215186697918E+02 0.67718E-02 -0.42132E-02 644 0.245E-01 0.121E+00
DAV: 9 -0.215179650822E+02 0.70471E-03 -0.12296E-02 688 0.180E-01 0.231E-01
DAV: 10 -0.215186123699E+02 -0.64729E-03 -0.37441E-03 688 0.105E-01 0.248E-01
DAV: 11 -0.215189049790E+02 -0.29261E-03 -0.31789E-03 680 0.767E-02 0.350E-01
DAV: 12 -0.215184124106E+02 0.49257E-03 -0.21445E-03 681 0.672E-02 0.168E-01
DAV: 13 -0.215184371247E+02 -0.24714E-04 -0.11130E-03 688 0.469E-02 0.131E-01
DAV: 14 -0.215184647299E+02 -0.27605E-04 -0.77403E-04 688 0.344E-02 0.139E-01
DAV: 15 -0.215184094424E+02 0.55287E-04 -0.42762E-04 656 0.295E-02 0.766E-02
DAV: 16 -0.215184177656E+02 -0.83231E-05 -0.21564E-04 624 0.236E-02 0.713E-02
DAV: 17 -0.215184032657E+02 0.14500E-04 -0.11970E-04 569 0.187E-02 0.363E-02
DAV: 18 -0.215184085052E+02 -0.52395E-05 -0.38691E-05 230 0.125E-02
45 F= -.21518409E+02 E0= -.21335201E+02 d E =0.383235E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.214953658883E+02 0.23037E-01 -0.21586E+00 376 0.615E+00 0.224E-01
DAV: 2 -0.215353393868E+02 -0.39973E-01 -0.14248E-01 522 0.745E-01 0.513E+00
DAV: 3 -0.214949058160E+02 0.40434E-01 -0.12496E-01 420 0.378E-01 0.135E+00
DAV: 4 -0.215070258827E+02 -0.12120E-01 -0.41017E-02 642 0.254E-01 0.268E+00
DAV: 5 -0.214982231447E+02 0.88027E-02 -0.29988E-02 632 0.239E-01 0.887E-01
DAV: 6 -0.215028490215E+02 -0.46259E-02 -0.18484E-02 658 0.189E-01 0.147E+00
DAV: 7 -0.214996114831E+02 0.32375E-02 -0.13981E-02 672 0.168E-01 0.759E-01
DAV: 8 -0.215023620286E+02 -0.27505E-02 -0.16135E-02 613 0.155E-01 0.179E+00
DAV: 9 -0.214978539368E+02 0.45081E-02 -0.11370E-02 688 0.138E-01 0.165E-01
DAV: 10 -0.214992670839E+02 -0.14131E-02 -0.13436E-03 651 0.842E-02 0.134E-01
DAV: 11 -0.214993221409E+02 -0.55057E-04 -0.90344E-04 688 0.501E-02 0.129E-01
DAV: 12 -0.214992880946E+02 0.34046E-04 -0.53404E-04 640 0.380E-02 0.102E-01
DAV: 13 -0.214992532541E+02 0.34840E-04 -0.30887E-04 632 0.249E-02 0.626E-02
DAV: 14 -0.214992496686E+02 0.35855E-05 -0.13391E-04 569 0.186E-02 0.389E-02
DAV: 15 -0.214992647354E+02 -0.15067E-04 -0.73964E-05 266 0.144E-02 0.627E-02
DAV: 16 -0.214992691741E+02 -0.44386E-05 -0.11923E-04 268 0.141E-02 0.569E-02
DAV: 17 -0.214992583569E+02 0.10817E-04 -0.55271E-05 237 0.141E-02 0.238E-02
DAV: 18 -0.214992580501E+02 0.30677E-06 -0.13407E-05 223 0.853E-03
46 F= -.21499258E+02 E0= -.21315402E+02 d E =0.191505E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.214970171609E+02 0.22412E-02 -0.48053E-01 384 0.292E+00 0.108E-01
DAV: 2 -0.215029679172E+02 -0.59508E-02 -0.21755E-02 408 0.353E-01 0.188E+00
DAV: 3 -0.214966880296E+02 0.62799E-02 -0.17060E-02 492 0.167E-01 0.654E-01
DAV: 4 -0.214990794229E+02 -0.23914E-02 -0.72333E-03 674 0.117E-01 0.932E-01
DAV: 5 -0.214979002467E+02 0.11792E-02 -0.57497E-03 681 0.106E-01 0.449E-01
DAV: 6 -0.214985760681E+02 -0.67582E-03 -0.41402E-03 617 0.799E-02 0.720E-01
DAV: 7 -0.214982171380E+02 0.35893E-03 -0.30906E-03 673 0.738E-02 0.626E-01
DAV: 8 -0.214978931084E+02 0.32403E-03 -0.18830E-03 617 0.583E-02 0.286E-01
DAV: 9 -0.214979116054E+02 -0.18497E-04 -0.56405E-04 619 0.446E-02 0.646E-02
DAV: 10 -0.214979561394E+02 -0.44534E-04 -0.20858E-04 601 0.256E-02 0.687E-02
DAV: 11 -0.214979545180E+02 0.16214E-05 -0.14006E-04 389 0.194E-02 0.648E-02
DAV: 12 -0.214979388204E+02 0.15698E-04 -0.62413E-05 202 0.153E-02 0.371E-02
DAV: 13 -0.214979402166E+02 -0.13962E-05 -0.36702E-05 212 0.111E-02
47 F= -.21497940E+02 E0= -.21314115E+02 d E =0.131783E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.214905303777E+02 0.74084E-02 -0.16001E+00 408 0.539E+00 0.220E-01
DAV: 2 -0.215196296988E+02 -0.29099E-01 -0.90378E-02 416 0.736E-01 0.379E+00
DAV: 3 -0.214902179971E+02 0.29412E-01 -0.55903E-02 554 0.346E-01 0.123E+00
DAV: 4 -0.214994094473E+02 -0.91915E-02 -0.34371E-02 667 0.233E-01 0.219E+00
DAV: 5 -0.214930645656E+02 0.63449E-02 -0.21107E-02 680 0.203E-01 0.514E-01
DAV: 6 -0.214976129827E+02 -0.45484E-02 -0.15472E-02 688 0.156E-01 0.166E+00
DAV: 7 -0.214938094546E+02 0.38035E-02 -0.13230E-02 554 0.152E-01 0.626E-01
DAV: 8 -0.214961875425E+02 -0.23781E-02 -0.10472E-02 688 0.124E-01 0.141E+00
DAV: 9 -0.214931606166E+02 0.30269E-02 -0.67028E-03 539 0.113E-01 0.188E-01
DAV: 10 -0.214941369746E+02 -0.97636E-03 -0.10640E-03 688 0.719E-02 0.152E-01
DAV: 11 -0.214941511043E+02 -0.14130E-04 -0.72638E-04 617 0.447E-02 0.131E-01
DAV: 12 -0.214941120438E+02 0.39061E-04 -0.46809E-04 624 0.311E-02 0.946E-02
DAV: 13 -0.214940826253E+02 0.29418E-04 -0.22321E-04 592 0.249E-02 0.596E-02
DAV: 14 -0.214940852559E+02 -0.26305E-05 -0.94836E-05 432 0.179E-02
48 F= -.21494085E+02 E0= -.21309953E+02 d E =0.385496E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.214891004955E+02 0.49821E-02 -0.16134E-01 376 0.171E+00 0.836E-02
DAV: 2 -0.214960210801E+02 -0.69206E-02 -0.19226E-02 446 0.256E-01 0.229E+00
DAV: 3 -0.214879180417E+02 0.81030E-02 -0.14244E-02 422 0.172E-01 0.671E-01
DAV: 4 -0.214898562745E+02 -0.19382E-02 -0.40621E-03 424 0.108E-01 0.670E-01
DAV: 5 -0.214895377082E+02 0.31857E-03 -0.30091E-03 512 0.698E-02 0.368E-01
DAV: 6 -0.214900807289E+02 -0.54302E-03 -0.30250E-03 688 0.629E-02 0.645E-01
DAV: 7 -0.214894655313E+02 0.61520E-03 -0.22204E-03 659 0.685E-02 0.367E-01
DAV: 8 -0.214895572012E+02 -0.91670E-04 -0.13996E-03 672 0.545E-02 0.302E-01
DAV: 9 -0.214894678375E+02 0.89364E-04 -0.61277E-04 617 0.457E-02 0.730E-02
DAV: 10 -0.214894952800E+02 -0.27442E-04 -0.16557E-04 552 0.233E-02 0.544E-02
DAV: 11 -0.214894920290E+02 0.32510E-05 -0.94990E-05 348 0.159E-02
49 F= -.21489492E+02 E0= -.21305454E+02 d E =0.459323E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.214343921639E+02 0.55103E-01 -0.63223E+00 376 0.106E+01 0.413E-01
DAV: 2 -0.215679079213E+02 -0.13352E+00 -0.48227E-01 485 0.138E+00 0.916E+00
DAV: 3 -0.214411748323E+02 0.12673E+00 -0.43643E-01 504 0.674E-01 0.272E+00
DAV: 4 -0.214637403599E+02 -0.22566E-01 -0.11753E-01 651 0.430E-01 0.352E+00
DAV: 5 -0.214499680605E+02 0.13772E-01 -0.76540E-02 656 0.345E-01 0.230E+00
DAV: 6 -0.214551861574E+02 -0.52181E-02 -0.68890E-02 674 0.317E-01 0.265E+00
DAV: 7 -0.214516708379E+02 0.35153E-02 -0.41467E-02 688 0.275E-01 0.207E+00
DAV: 8 -0.214517443920E+02 -0.73554E-04 -0.41223E-02 557 0.241E-01 0.188E+00
DAV: 9 -0.214464926858E+02 0.52517E-02 -0.21590E-02 688 0.199E-01 0.294E-01
DAV: 10 -0.214473080125E+02 -0.81533E-03 -0.40745E-03 673 0.115E-01 0.250E-01
DAV: 11 -0.214476872787E+02 -0.37927E-03 -0.33017E-03 688 0.789E-02 0.351E-01
DAV: 12 -0.214474273828E+02 0.25990E-03 -0.29376E-03 658 0.692E-02 0.246E-01
DAV: 13 -0.214473025925E+02 0.12479E-03 -0.17402E-03 688 0.549E-02 0.169E-01
DAV: 14 -0.214472420042E+02 0.60588E-04 -0.78263E-04 688 0.451E-02 0.938E-02
DAV: 15 -0.214472723495E+02 -0.30345E-04 -0.44457E-04 628 0.319E-02 0.838E-02
DAV: 16 -0.214472836443E+02 -0.11295E-04 -0.28160E-04 640 0.284E-02 0.967E-02
DAV: 17 -0.214472555288E+02 0.28115E-04 -0.17687E-04 365 0.221E-02 0.554E-02
DAV: 18 -0.214472632979E+02 -0.77691E-05 -0.96806E-05 427 0.180E-02
50 F= -.21447263E+02 E0= -.21261770E+02 d E =0.422287E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.214709641449E+02 -0.23709E-01 -0.92839E+00 376 0.126E+01 0.534E-01
DAV: 2 -0.217774499442E+02 -0.30649E+00 -0.95062E-01 555 0.171E+00 0.133E+01
DAV: 3 -0.214677582136E+02 0.30969E+00 -0.68503E-01 486 0.981E-01 0.235E+00
DAV: 4 -0.215195607520E+02 -0.51803E-01 -0.18202E-01 658 0.540E-01 0.529E+00
DAV: 5 -0.214968876438E+02 0.22673E-01 -0.16539E-01 602 0.452E-01 0.301E+00
DAV: 6 -0.215080109686E+02 -0.11123E-01 -0.10474E-01 688 0.355E-01 0.303E+00
DAV: 7 -0.214938233412E+02 0.14188E-01 -0.56981E-02 616 0.341E-01 0.159E+00
DAV: 8 -0.214993150171E+02 -0.54917E-02 -0.51247E-02 648 0.270E-01 0.279E+00
DAV: 9 -0.214892371013E+02 0.10078E-01 -0.34795E-02 688 0.226E-01 0.382E-01
DAV: 10 -0.214920569321E+02 -0.28198E-02 -0.57831E-03 688 0.150E-01 0.299E-01
DAV: 11 -0.214921254353E+02 -0.68503E-04 -0.36464E-03 674 0.911E-02 0.302E-01
DAV: 12 -0.214921188265E+02 0.66088E-05 -0.26645E-03 688 0.753E-02 0.299E-01
DAV: 13 -0.214918714785E+02 0.24735E-03 -0.21803E-03 674 0.613E-02 0.191E-01
DAV: 14 -0.214919164674E+02 -0.44989E-04 -0.11983E-03 688 0.452E-02 0.166E-01
DAV: 15 -0.214918819794E+02 0.34488E-04 -0.74000E-04 660 0.356E-02 0.115E-01
DAV: 16 -0.214918622489E+02 0.19730E-04 -0.41857E-04 656 0.283E-02 0.813E-02
DAV: 17 -0.214918942370E+02 -0.31988E-04 -0.30102E-04 649 0.250E-02 0.874E-02
DAV: 18 -0.214918772253E+02 0.17012E-04 -0.18170E-04 592 0.231E-02 0.600E-02
DAV: 19 -0.214918659794E+02 0.11246E-04 -0.67958E-05 425 0.165E-02 0.282E-02
DAV: 20 -0.214918688467E+02 -0.28673E-05 -0.19011E-05 258 0.944E-03
51 F= -.21491869E+02 E0= -.21306170E+02 d E =-.446055E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.214843264132E+02 0.75396E-02 -0.46929E+00 376 0.887E+00 0.321E-01
DAV: 2 -0.215421821321E+02 -0.57856E-01 -0.22184E-01 437 0.103E+00 0.506E+00
DAV: 3 -0.214998190694E+02 0.42363E-01 -0.19796E-01 658 0.455E-01 0.274E+00
DAV: 4 -0.215032030606E+02 -0.33840E-02 -0.77156E-02 605 0.332E-01 0.293E+00
DAV: 5 -0.214923082133E+02 0.10895E-01 -0.52714E-02 688 0.277E-01 0.112E+00
DAV: 6 -0.215036145633E+02 -0.11306E-01 -0.50227E-02 688 0.226E-01 0.294E+00
DAV: 7 -0.214927095238E+02 0.10905E-01 -0.37018E-02 650 0.248E-01 0.123E+00
DAV: 8 -0.214967621776E+02 -0.40527E-02 -0.24686E-02 674 0.198E-01 0.188E+00
DAV: 9 -0.214915958710E+02 0.51663E-02 -0.12080E-02 642 0.172E-01 0.187E-01
DAV: 10 -0.214931230012E+02 -0.15271E-02 -0.22350E-03 680 0.977E-02 0.197E-01
DAV: 11 -0.214932699171E+02 -0.14692E-03 -0.14645E-03 681 0.629E-02 0.230E-01
DAV: 12 -0.214930604102E+02 0.20951E-03 -0.10591E-03 665 0.499E-02 0.132E-01
DAV: 13 -0.214930777136E+02 -0.17303E-04 -0.57774E-04 649 0.338E-02 0.110E-01
DAV: 14 -0.214930742349E+02 0.34787E-05 -0.33207E-04 635 0.285E-02 0.760E-02
DAV: 15 -0.214930822420E+02 -0.80071E-05 -0.20688E-04 537 0.221E-02 0.689E-02
DAV: 16 -0.214930873138E+02 -0.50717E-05 -0.15207E-04 381 0.206E-02 0.713E-02
DAV: 17 -0.214930723206E+02 0.14993E-04 -0.99355E-05 247 0.176E-02 0.443E-02
DAV: 18 -0.214930758296E+02 -0.35090E-05 -0.48958E-05 295 0.137E-02
52 F= -.21493076E+02 E0= -.21308492E+02 d E =-.120698E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.215102171900E+02 -0.17145E-01 -0.11285E+00 376 0.445E+00 0.159E-01
DAV: 2 -0.215284775529E+02 -0.18260E-01 -0.66374E-02 459 0.554E-01 0.342E+00
DAV: 3 -0.215106267149E+02 0.17851E-01 -0.56209E-02 521 0.258E-01 0.108E+00
DAV: 4 -0.215145284405E+02 -0.39017E-02 -0.17058E-02 628 0.178E-01 0.129E+00
DAV: 5 -0.215127396207E+02 0.17888E-02 -0.99611E-03 672 0.149E-01 0.920E-01
DAV: 6 -0.215143494828E+02 -0.16099E-02 -0.12278E-02 651 0.138E-01 0.144E+00
DAV: 7 -0.215117887589E+02 0.25607E-02 -0.84717E-03 688 0.128E-01 0.328E-01
DAV: 8 -0.215124506079E+02 -0.66185E-03 -0.25352E-03 659 0.869E-02 0.352E-01
DAV: 9 -0.215124750807E+02 -0.24473E-04 -0.19454E-03 640 0.585E-02 0.396E-01
DAV: 10 -0.215122881355E+02 0.18695E-03 -0.87920E-04 688 0.515E-02 0.933E-02
DAV: 11 -0.215123779475E+02 -0.89812E-04 -0.44895E-04 635 0.332E-02 0.103E-01
DAV: 12 -0.215123695333E+02 0.84141E-05 -0.35793E-04 656 0.263E-02 0.915E-02
DAV: 13 -0.215123359759E+02 0.33557E-04 -0.23462E-04 603 0.215E-02 0.544E-02
DAV: 14 -0.215123315489E+02 0.44270E-05 -0.74620E-05 456 0.157E-02
53 F= -.21512332E+02 E0= -.21328008E+02 d E =-.192557E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.215177886606E+02 -0.54527E-02 -0.17556E+00 376 0.535E+00 0.203E-01
DAV: 2 -0.215642326685E+02 -0.46444E-01 -0.17381E-01 516 0.668E-01 0.560E+00
DAV: 3 -0.215122536574E+02 0.51979E-01 -0.13801E-01 460 0.405E-01 0.939E-01
DAV: 4 -0.215245917234E+02 -0.12338E-01 -0.22991E-02 580 0.223E-01 0.181E+00
DAV: 5 -0.215218167460E+02 0.27750E-02 -0.22754E-02 541 0.173E-01 0.930E-01
DAV: 6 -0.215232254428E+02 -0.14087E-02 -0.13626E-02 688 0.144E-01 0.129E+00
DAV: 7 -0.215217392359E+02 0.14862E-02 -0.10584E-02 540 0.135E-01 0.957E-01
DAV: 8 -0.215217410304E+02 -0.17945E-05 -0.63500E-03 688 0.109E-01 0.707E-01
DAV: 9 -0.215211600699E+02 0.58096E-03 -0.25362E-03 604 0.869E-02 0.223E-01
DAV: 10 -0.215212533365E+02 -0.93267E-04 -0.99245E-04 672 0.588E-02 0.930E-02
DAV: 11 -0.215213458705E+02 -0.92534E-04 -0.50037E-04 641 0.362E-02 0.134E-01
DAV: 12 -0.215212837442E+02 0.62126E-04 -0.37070E-04 517 0.297E-02 0.919E-02
DAV: 13 -0.215212838905E+02 -0.14633E-06 -0.26558E-04 656 0.230E-02 0.697E-02
DAV: 14 -0.215212865029E+02 -0.26124E-05 -0.11364E-04 528 0.178E-02 0.507E-02
DAV: 15 -0.215212848564E+02 0.16465E-05 -0.66896E-05 337 0.135E-02
54 F= -.21521285E+02 E0= -.21336853E+02 d E =-.895331E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.212288593220E+02 0.29243E+00 -0.60340E+01 376 0.322E+01 0.138E+00
DAV: 2 -0.221432092811E+02 -0.91435E+00 -0.34580E+00 452 0.455E+00 0.182E+01
DAV: 3 -0.216517666705E+02 0.49144E+00 -0.13049E+00 720 0.157E+00 0.127E+01
DAV: 4 -0.214199435775E+02 0.23182E+00 -0.95380E-01 630 0.117E+00 0.581E+00
DAV: 5 -0.215118662640E+02 -0.91923E-01 -0.82870E-01 688 0.935E-01 0.921E+00
DAV: 6 -0.214236414626E+02 0.88225E-01 -0.67067E-01 688 0.835E-01 0.430E+00
DAV: 7 -0.214970168402E+02 -0.73375E-01 -0.44969E-01 638 0.823E-01 0.923E+00
DAV: 8 -0.214070419943E+02 0.89975E-01 -0.45093E-01 688 0.715E-01 0.539E+00
DAV: 9 -0.213869797725E+02 0.20062E-01 -0.16347E-01 634 0.518E-01 0.215E+00
DAV: 10 -0.213871832002E+02 -0.20343E-03 -0.53365E-02 680 0.364E-01 0.125E+00
DAV: 11 -0.213874164294E+02 -0.23323E-03 -0.32329E-02 688 0.231E-01 0.986E-01
DAV: 12 -0.213872453491E+02 0.17108E-03 -0.18496E-02 674 0.194E-01 0.724E-01
DAV: 13 -0.213860714639E+02 0.11739E-02 -0.13391E-02 666 0.164E-01 0.521E-01
DAV: 14 -0.213859924833E+02 0.78981E-04 -0.76998E-03 688 0.125E-01 0.555E-01
DAV: 15 -0.213862496676E+02 -0.25718E-03 -0.66828E-03 674 0.106E-01 0.543E-01
DAV: 16 -0.213861195774E+02 0.13009E-03 -0.39655E-03 688 0.976E-02 0.443E-01
DAV: 17 -0.213857488238E+02 0.37075E-03 -0.20112E-03 674 0.720E-02 0.239E-01
DAV: 18 -0.213860076430E+02 -0.25882E-03 -0.11552E-03 656 0.543E-02 0.197E-01
DAV: 19 -0.213858854505E+02 0.12219E-03 -0.79329E-04 674 0.474E-02 0.970E-02
DAV: 20 -0.213858907937E+02 -0.53432E-05 -0.36592E-04 642 0.311E-02 0.750E-02
DAV: 21 -0.213858943085E+02 -0.35148E-05 -0.17500E-04 656 0.219E-02 0.624E-02
DAV: 22 -0.213858969444E+02 -0.26359E-05 -0.11142E-04 499 0.181E-02 0.463E-02
DAV: 23 -0.213858875663E+02 0.93781E-05 -0.50237E-05 400 0.146E-02
55 F= -.21385888E+02 E0= -.21198703E+02 d E =0.135397E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.213970569078E+02 -0.11160E-01 -0.77365E-01 376 0.364E+00 0.130E-01
DAV: 2 -0.214089465726E+02 -0.11890E-01 -0.45951E-02 460 0.474E-01 0.279E+00
DAV: 3 -0.213973548475E+02 0.11592E-01 -0.33900E-02 544 0.204E-01 0.754E-01
DAV: 4 -0.214002439413E+02 -0.28891E-02 -0.90990E-03 667 0.138E-01 0.103E+00
DAV: 5 -0.213993197415E+02 0.92420E-03 -0.75191E-03 610 0.114E-01 0.822E-01
DAV: 6 -0.214002142101E+02 -0.89447E-03 -0.81241E-03 681 0.115E-01 0.115E+00
DAV: 7 -0.213985321158E+02 0.16821E-02 -0.54255E-03 616 0.109E-01 0.401E-01
DAV: 8 -0.213996694741E+02 -0.11374E-02 -0.46752E-03 674 0.843E-02 0.858E-01
DAV: 9 -0.213984337576E+02 0.12357E-02 -0.29104E-03 571 0.833E-02 0.116E-01
DAV: 10 -0.213988138557E+02 -0.38010E-03 -0.56136E-04 656 0.523E-02 0.760E-02
DAV: 11 -0.213988447619E+02 -0.30906E-04 -0.30515E-04 617 0.326E-02 0.882E-02
DAV: 12 -0.213988217110E+02 0.23051E-04 -0.19134E-04 616 0.224E-02 0.615E-02
DAV: 13 -0.213988153399E+02 0.63711E-05 -0.12273E-04 523 0.184E-02 0.455E-02
DAV: 14 -0.213988162912E+02 -0.95130E-06 -0.52313E-05 232 0.126E-02
56 F= -.21398816E+02 E0= -.21211762E+02 d E =-.129287E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.214053998449E+02 -0.65845E-02 -0.33888E+00 384 0.795E+00 0.352E-01
DAV: 2 -0.215583828399E+02 -0.15298E+00 -0.50564E-01 546 0.110E+00 0.108E+01
DAV: 3 -0.213883209796E+02 0.17006E+00 -0.42487E-01 423 0.708E-01 0.204E+00
DAV: 4 -0.214209701781E+02 -0.32649E-01 -0.79361E-02 688 0.395E-01 0.284E+00
DAV: 5 -0.214179252450E+02 0.30449E-02 -0.70058E-02 688 0.310E-01 0.239E+00
DAV: 6 -0.214145822185E+02 0.33430E-02 -0.45807E-02 673 0.256E-01 0.134E+00
DAV: 7 -0.214142592556E+02 0.32296E-03 -0.21326E-02 688 0.224E-01 0.934E-01
DAV: 8 -0.214183385884E+02 -0.40793E-02 -0.25615E-02 652 0.178E-01 0.253E+00
DAV: 9 -0.214095014163E+02 0.88372E-02 -0.19915E-02 688 0.168E-01 0.185E-01
DAV: 10 -0.214121224226E+02 -0.26210E-02 -0.22213E-03 681 0.107E-01 0.210E-01
DAV: 11 -0.214122949003E+02 -0.17248E-03 -0.20070E-03 648 0.641E-02 0.284E-01
DAV: 12 -0.214119885007E+02 0.30640E-03 -0.13827E-03 642 0.501E-02 0.107E-01
DAV: 13 -0.214120305476E+02 -0.42047E-04 -0.49088E-04 656 0.348E-02 0.830E-02
DAV: 14 -0.214120540417E+02 -0.23494E-04 -0.30589E-04 619 0.260E-02 0.101E-01
DAV: 15 -0.214120340353E+02 0.20006E-04 -0.27502E-04 640 0.221E-02 0.722E-02
DAV: 16 -0.214120216219E+02 0.12413E-04 -0.95465E-05 475 0.200E-02 0.415E-02
DAV: 17 -0.214120216919E+02 -0.70050E-07 -0.41257E-05 304 0.132E-02
57 F= -.21412022E+02 E0= -.21225737E+02 d E =-.132054E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.213287921231E+02 0.83229E-01 -0.12986E+01 376 0.154E+01 0.542E-01
DAV: 2 -0.214763030270E+02 -0.14751E+00 -0.61060E-01 397 0.200E+00 0.774E+00
DAV: 3 -0.213653997071E+02 0.11090E+00 -0.31887E-01 640 0.798E-01 0.414E+00
DAV: 4 -0.213771324765E+02 -0.11733E-01 -0.17808E-01 580 0.487E-01 0.451E+00
DAV: 5 -0.213628545257E+02 0.14278E-01 -0.15530E-01 664 0.427E-01 0.319E+00
DAV: 6 -0.213726532227E+02 -0.97987E-02 -0.10451E-01 681 0.356E-01 0.344E+00
DAV: 7 -0.213564645823E+02 0.16189E-01 -0.66233E-02 665 0.332E-01 0.129E+00
DAV: 8 -0.213645843650E+02 -0.81198E-02 -0.54104E-02 667 0.258E-01 0.284E+00
DAV: 9 -0.213525990672E+02 0.11985E-01 -0.30699E-02 593 0.230E-01 0.540E-01
DAV: 10 -0.213555111801E+02 -0.29121E-02 -0.77113E-03 681 0.160E-01 0.430E-01
DAV: 11 -0.213556206998E+02 -0.10952E-03 -0.51152E-03 681 0.109E-01 0.401E-01
DAV: 12 -0.213552202201E+02 0.40048E-03 -0.35197E-03 688 0.848E-02 0.223E-01
DAV: 13 -0.213552280484E+02 -0.78284E-05 -0.20185E-03 673 0.692E-02 0.233E-01
DAV: 14 -0.213550985565E+02 0.12949E-03 -0.11845E-03 688 0.485E-02 0.171E-01
DAV: 15 -0.213551246567E+02 -0.26100E-04 -0.63822E-04 642 0.365E-02 0.143E-01
DAV: 16 -0.213551341839E+02 -0.95272E-05 -0.44798E-04 688 0.338E-02 0.927E-02
DAV: 17 -0.213551304068E+02 0.37771E-05 -0.33655E-04 656 0.302E-02 0.678E-02
DAV: 18 -0.213551233001E+02 0.71068E-05 -0.12061E-04 633 0.246E-02 0.521E-02
DAV: 19 -0.213551206869E+02 0.26131E-05 -0.24880E-05 297 0.133E-02
58 F= -.21355121E+02 E0= -.21167394E+02 d E =0.569010E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.211635237572E+02 0.19160E+00 -0.39295E+01 376 0.263E+01 0.100E+00
DAV: 2 -0.216284885745E+02 -0.46496E+00 -0.18493E+00 492 0.352E+00 0.122E+01
DAV: 3 -0.212858204900E+02 0.34267E+00 -0.57490E-01 680 0.141E+00 0.631E+00
DAV: 4 -0.213372120239E+02 -0.51392E-01 -0.51843E-01 596 0.796E-01 0.836E+00
DAV: 5 -0.212570782671E+02 0.80134E-01 -0.38505E-01 688 0.634E-01 0.309E+00
DAV: 6 -0.212965954604E+02 -0.39517E-01 -0.23740E-01 667 0.549E-01 0.613E+00
DAV: 7 -0.212621533799E+02 0.34442E-01 -0.21821E-01 584 0.518E-01 0.368E+00
DAV: 8 -0.212609851742E+02 0.11682E-02 -0.13986E-01 660 0.403E-01 0.390E+00
DAV: 9 -0.212434114932E+02 0.17574E-01 -0.72466E-02 552 0.329E-01 0.116E+00
DAV: 10 -0.212490759030E+02 -0.56644E-02 -0.27102E-02 688 0.225E-01 0.772E-01
DAV: 11 -0.212492074180E+02 -0.13152E-03 -0.18158E-02 680 0.171E-01 0.703E-01
DAV: 12 -0.212481521143E+02 0.10553E-02 -0.11627E-02 688 0.147E-01 0.448E-01
DAV: 13 -0.212478434623E+02 0.30865E-03 -0.70920E-03 681 0.121E-01 0.400E-01
DAV: 14 -0.212476912967E+02 0.15217E-03 -0.41360E-03 688 0.824E-02 0.383E-01
DAV: 15 -0.212477184606E+02 -0.27164E-04 -0.22050E-03 688 0.732E-02 0.285E-01
DAV: 16 -0.212476860906E+02 0.32370E-04 -0.13077E-03 688 0.648E-02 0.152E-01
DAV: 17 -0.212477571433E+02 -0.71053E-04 -0.96602E-04 688 0.522E-02 0.141E-01
DAV: 18 -0.212477103078E+02 0.46836E-04 -0.48285E-04 649 0.393E-02 0.101E-01
DAV: 19 -0.212477092500E+02 0.10578E-05 -0.18941E-04 649 0.258E-02 0.871E-02
DAV: 20 -0.212477091219E+02 0.12812E-06 -0.86729E-05 451 0.166E-02
59 F= -.21247709E+02 E0= -.21058005E+02 d E =0.107412E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.211971497532E+02 0.50559E-01 -0.65948E+00 376 0.106E+01 0.478E-01
DAV: 2 -0.214065639985E+02 -0.20941E+00 -0.65571E-01 593 0.149E+00 0.107E+01
DAV: 3 -0.212193649155E+02 0.18720E+00 -0.61522E-01 581 0.855E-01 0.440E+00
DAV: 4 -0.212312517239E+02 -0.11887E-01 -0.20346E-01 602 0.490E-01 0.432E+00
DAV: 5 -0.212180389594E+02 0.13213E-01 -0.13018E-01 681 0.417E-01 0.317E+00
DAV: 6 -0.212152692975E+02 0.27697E-02 -0.52232E-02 657 0.304E-01 0.215E+00
DAV: 7 -0.212157564061E+02 -0.48711E-03 -0.48129E-02 688 0.265E-01 0.124E+00
DAV: 8 -0.212248550266E+02 -0.90986E-02 -0.62205E-02 653 0.249E-01 0.334E+00
DAV: 9 -0.212072287924E+02 0.17626E-01 -0.36315E-02 624 0.240E-01 0.282E-01
DAV: 10 -0.212113547449E+02 -0.41260E-02 -0.64190E-03 681 0.165E-01 0.299E-01
DAV: 11 -0.212117898881E+02 -0.43514E-03 -0.34649E-03 688 0.105E-01 0.326E-01
DAV: 12 -0.212113323116E+02 0.45758E-03 -0.19771E-03 673 0.763E-02 0.166E-01
DAV: 13 -0.212114977347E+02 -0.16542E-03 -0.13269E-03 673 0.524E-02 0.228E-01
DAV: 14 -0.212113573724E+02 0.14036E-03 -0.86628E-04 656 0.417E-02 0.121E-01
DAV: 15 -0.212113866544E+02 -0.29282E-04 -0.36129E-04 656 0.313E-02 0.897E-02
DAV: 16 -0.212114402749E+02 -0.53621E-04 -0.36004E-04 688 0.269E-02 0.889E-02
DAV: 17 -0.212114034604E+02 0.36814E-04 -0.30145E-04 553 0.241E-02 0.565E-02
DAV: 18 -0.212114000368E+02 0.34236E-05 -0.11469E-04 536 0.177E-02 0.397E-02
DAV: 19 -0.212113962640E+02 0.37728E-05 -0.26765E-05 266 0.120E-02
60 F= -.21211396E+02 E0= -.21021529E+02 d E =0.363129E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.212072503616E+02 0.41497E-02 -0.37847E-01 376 0.257E+00 0.116E-01
DAV: 2 -0.212236495721E+02 -0.16399E-01 -0.51711E-02 592 0.348E-01 0.358E+00
DAV: 3 -0.212042030728E+02 0.19446E-01 -0.46832E-02 440 0.247E-01 0.656E-01
DAV: 4 -0.212093065344E+02 -0.51035E-02 -0.85840E-03 530 0.155E-01 0.108E+00
DAV: 5 -0.212081922863E+02 0.11142E-02 -0.68729E-03 643 0.106E-01 0.729E-01
DAV: 6 -0.212086245015E+02 -0.43222E-03 -0.39306E-03 665 0.903E-02 0.721E-01
DAV: 7 -0.212082168500E+02 0.40765E-03 -0.32750E-03 674 0.846E-02 0.384E-01
DAV: 8 -0.212088740088E+02 -0.65716E-03 -0.41515E-03 658 0.712E-02 0.835E-01
DAV: 9 -0.212077328643E+02 0.11411E-02 -0.24779E-03 642 0.726E-02 0.837E-02
DAV: 10 -0.212080083075E+02 -0.27544E-03 -0.47934E-04 656 0.457E-02 0.695E-02
DAV: 11 -0.212080393424E+02 -0.31035E-04 -0.26752E-04 617 0.297E-02 0.861E-02
DAV: 12 -0.212080125318E+02 0.26811E-04 -0.17730E-04 513 0.207E-02 0.529E-02
DAV: 13 -0.212080122228E+02 0.30903E-06 -0.89770E-05 417 0.158E-02
61 F= -.21208012E+02 E0= -.21018185E+02 d E =0.338404E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.211877965669E+02 0.20216E-01 -0.36729E+00 384 0.817E+00 0.265E-01
DAV: 2 -0.212151841289E+02 -0.27388E-01 -0.11681E-01 376 0.916E-01 0.424E+00
DAV: 3 -0.211927186489E+02 0.22465E-01 -0.96560E-02 672 0.326E-01 0.172E+00
DAV: 4 -0.211970968410E+02 -0.43782E-02 -0.31574E-02 688 0.226E-01 0.167E+00
DAV: 5 -0.211953565612E+02 0.17403E-02 -0.23697E-02 672 0.192E-01 0.140E+00
DAV: 6 -0.211967036897E+02 -0.13471E-02 -0.22563E-02 667 0.179E-01 0.160E+00
DAV: 7 -0.211942093992E+02 0.24943E-02 -0.15955E-02 633 0.166E-01 0.842E-01
DAV: 8 -0.211958659919E+02 -0.16566E-02 -0.12616E-02 627 0.147E-01 0.161E+00
DAV: 9 -0.211923592551E+02 0.35067E-02 -0.89178E-03 539 0.123E-01 0.256E-01
DAV: 10 -0.211934702191E+02 -0.11110E-02 -0.16475E-03 681 0.807E-02 0.163E-01
DAV: 11 -0.211935219701E+02 -0.51751E-04 -0.99114E-04 673 0.530E-02 0.156E-01
DAV: 12 -0.211934572691E+02 0.64701E-04 -0.74738E-04 680 0.431E-02 0.122E-01
DAV: 13 -0.211934041401E+02 0.53129E-04 -0.41424E-04 656 0.321E-02 0.712E-02
DAV: 14 -0.211934467624E+02 -0.42622E-04 -0.29685E-04 608 0.248E-02 0.934E-02
DAV: 15 -0.211934282109E+02 0.18552E-04 -0.24993E-04 432 0.227E-02 0.775E-02
DAV: 16 -0.211934105891E+02 0.17622E-04 -0.11127E-04 354 0.201E-02 0.369E-02
DAV: 17 -0.211934163265E+02 -0.57375E-05 -0.49171E-05 237 0.131E-02
62 F= -.21193416E+02 E0= -.21003039E+02 d E =0.145959E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.211979433389E+02 -0.45327E-02 -0.42624E+00 376 0.874E+00 0.309E-01
DAV: 2 -0.212670445159E+02 -0.69101E-01 -0.19110E-01 414 0.972E-01 0.654E+00
DAV: 3 -0.212023274590E+02 0.64717E-01 -0.17911E-01 436 0.413E-01 0.235E+00
DAV: 4 -0.212114937211E+02 -0.91663E-02 -0.55471E-02 667 0.296E-01 0.239E+00
DAV: 5 -0.212053423441E+02 0.61514E-02 -0.33416E-02 674 0.251E-01 0.102E+00
DAV: 6 -0.212152280141E+02 -0.98857E-02 -0.47034E-02 626 0.220E-01 0.301E+00
DAV: 7 -0.212030342897E+02 0.12194E-01 -0.41987E-02 688 0.236E-01 0.813E-01
DAV: 8 -0.212096236565E+02 -0.65894E-02 -0.19866E-02 627 0.181E-01 0.212E+00
DAV: 9 -0.212035224516E+02 0.61012E-02 -0.16527E-02 640 0.166E-01 0.265E-01
DAV: 10 -0.212048324818E+02 -0.13100E-02 -0.28180E-03 688 0.100E-01 0.215E-01
DAV: 11 -0.212049741236E+02 -0.14164E-03 -0.17413E-03 656 0.662E-02 0.235E-01
DAV: 12 -0.212047569177E+02 0.21721E-03 -0.11916E-03 664 0.507E-02 0.124E-01
DAV: 13 -0.212047468130E+02 0.10105E-04 -0.59636E-04 688 0.347E-02 0.106E-01
DAV: 14 -0.212047443920E+02 0.24210E-05 -0.39758E-04 648 0.272E-02 0.973E-02
DAV: 15 -0.212047417477E+02 0.26442E-05 -0.27573E-04 568 0.229E-02 0.710E-02
DAV: 16 -0.212047308956E+02 0.10852E-04 -0.13563E-04 480 0.206E-02 0.395E-02
DAV: 17 -0.212047304455E+02 0.45009E-06 -0.48283E-05 272 0.147E-02
63 F= -.21204730E+02 E0= -.21014453E+02 d E =-.113141E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.211777250646E+02 0.27006E-01 -0.68328E+00 376 0.110E+01 0.518E-01
DAV: 2 -0.213717739019E+02 -0.19405E+00 -0.56047E-01 408 0.170E+00 0.912E+00
DAV: 3 -0.212011750334E+02 0.17060E+00 -0.37565E-01 562 0.830E-01 0.393E+00
DAV: 4 -0.212157338088E+02 -0.14559E-01 -0.17083E-01 539 0.472E-01 0.427E+00
DAV: 5 -0.211985308573E+02 0.17203E-01 -0.13520E-01 688 0.343E-01 0.214E+00
DAV: 6 -0.212129567712E+02 -0.14426E-01 -0.77900E-02 681 0.313E-01 0.372E+00
DAV: 7 -0.211951024569E+02 0.17854E-01 -0.71951E-02 688 0.308E-01 0.943E-01
DAV: 8 -0.212025961494E+02 -0.74937E-02 -0.35274E-02 681 0.243E-01 0.247E+00
DAV: 9 -0.211937033523E+02 0.88928E-02 -0.23816E-02 594 0.207E-01 0.581E-01
DAV: 10 -0.211956808568E+02 -0.19775E-02 -0.67598E-03 681 0.146E-01 0.332E-01
DAV: 11 -0.211958322549E+02 -0.15140E-03 -0.37994E-03 688 0.942E-02 0.301E-01
DAV: 12 -0.211958103381E+02 0.21917E-04 -0.29948E-03 688 0.743E-02 0.252E-01
DAV: 13 -0.211955621156E+02 0.24822E-03 -0.16401E-03 680 0.633E-02 0.181E-01
DAV: 14 -0.211955496881E+02 0.12427E-04 -0.92466E-04 688 0.460E-02 0.157E-01
DAV: 15 -0.211956095439E+02 -0.59856E-04 -0.61009E-04 585 0.373E-02 0.170E-01
DAV: 16 -0.211955429597E+02 0.66584E-04 -0.39594E-04 640 0.327E-02 0.881E-02
DAV: 17 -0.211955563744E+02 -0.13415E-04 -0.23811E-04 656 0.241E-02 0.644E-02
DAV: 18 -0.211955577342E+02 -0.13599E-05 -0.89735E-05 386 0.194E-02
64 F= -.21195558E+02 E0= -.21005711E+02 d E =0.917271E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.211596472996E+02 0.35909E-01 -0.56847E+00 376 0.101E+01 0.370E-01
DAV: 2 -0.212543716467E+02 -0.94724E-01 -0.33370E-01 422 0.130E+00 0.897E+00
DAV: 3 -0.211646143881E+02 0.89757E-01 -0.29744E-01 672 0.565E-01 0.218E+00
DAV: 4 -0.211888030570E+02 -0.24189E-01 -0.89221E-02 645 0.382E-01 0.371E+00
DAV: 5 -0.211709618603E+02 0.17841E-01 -0.68223E-02 688 0.317E-01 0.139E+00
DAV: 6 -0.211828886065E+02 -0.11927E-01 -0.49176E-02 674 0.269E-01 0.269E+00
DAV: 7 -0.211722095972E+02 0.10679E-01 -0.36003E-02 624 0.258E-01 0.960E-01
DAV: 8 -0.211784487975E+02 -0.62392E-02 -0.36019E-02 637 0.220E-01 0.252E+00
DAV: 9 -0.211691081988E+02 0.93406E-02 -0.24289E-02 616 0.198E-01 0.315E-01
DAV: 10 -0.211716448342E+02 -0.25366E-02 -0.38782E-03 688 0.122E-01 0.237E-01
DAV: 11 -0.211717783896E+02 -0.13356E-03 -0.24874E-03 658 0.795E-02 0.271E-01
DAV: 12 -0.211716584106E+02 0.11998E-03 -0.21899E-03 681 0.584E-02 0.218E-01
DAV: 13 -0.211715630102E+02 0.95400E-04 -0.14329E-03 635 0.502E-02 0.171E-01
DAV: 14 -0.211714874153E+02 0.75595E-04 -0.64739E-04 656 0.377E-02 0.825E-02
DAV: 15 -0.211715259311E+02 -0.38516E-04 -0.30651E-04 649 0.290E-02 0.857E-02
DAV: 16 -0.211715225006E+02 0.34305E-05 -0.23101E-04 569 0.247E-02 0.773E-02
DAV: 17 -0.211715243114E+02 -0.18108E-05 -0.22867E-04 553 0.199E-02 0.636E-02
DAV: 18 -0.211715057993E+02 0.18512E-04 -0.68082E-05 320 0.166E-02 0.322E-02
DAV: 19 -0.211715052421E+02 0.55720E-06 -0.29385E-05 289 0.117E-02
65 F= -.21171505E+02 E0= -.20980424E+02 d E =0.240525E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.211153520902E+02 0.56154E-01 -0.76900E+00 376 0.115E+01 0.388E-01
DAV: 2 -0.212319367188E+02 -0.11658E+00 -0.42647E-01 531 0.137E+00 0.805E+00
DAV: 3 -0.211307673860E+02 0.10117E+00 -0.30692E-01 656 0.630E-01 0.285E+00
DAV: 4 -0.211441665437E+02 -0.13399E-01 -0.10559E-01 581 0.398E-01 0.337E+00
DAV: 5 -0.211312994855E+02 0.12867E-01 -0.74128E-02 688 0.311E-01 0.189E+00
DAV: 6 -0.211406748127E+02 -0.93753E-02 -0.56718E-02 651 0.290E-01 0.314E+00
DAV: 7 -0.211302786914E+02 0.10396E-01 -0.39192E-02 672 0.275E-01 0.139E+00
DAV: 8 -0.211394022106E+02 -0.91235E-02 -0.44707E-02 607 0.241E-01 0.297E+00
DAV: 9 -0.211262799808E+02 0.13122E-01 -0.27453E-02 648 0.221E-01 0.268E-01
DAV: 10 -0.211296258084E+02 -0.33458E-02 -0.68699E-03 688 0.144E-01 0.321E-01
DAV: 11 -0.211295712826E+02 0.54526E-04 -0.40402E-03 672 0.946E-02 0.275E-01
DAV: 12 -0.211294560339E+02 0.11525E-03 -0.27719E-03 688 0.714E-02 0.205E-01
DAV: 13 -0.211293622517E+02 0.93782E-04 -0.15318E-03 681 0.588E-02 0.165E-01
DAV: 14 -0.211293198403E+02 0.42411E-04 -0.76524E-04 656 0.402E-02 0.101E-01
DAV: 15 -0.211293654176E+02 -0.45577E-04 -0.55670E-04 688 0.316E-02 0.119E-01
DAV: 16 -0.211293463796E+02 0.19038E-04 -0.38046E-04 656 0.301E-02 0.970E-02
DAV: 17 -0.211293346767E+02 0.11703E-04 -0.21488E-04 649 0.249E-02 0.653E-02
DAV: 18 -0.211293208740E+02 0.13803E-04 -0.69775E-05 416 0.171E-02 0.407E-02
DAV: 19 -0.211293218841E+02 -0.10101E-05 -0.34468E-05 292 0.119E-02
66 F= -.21129322E+02 E0= -.20937829E+02 d E =0.421834E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.211191569034E+02 0.10164E-01 -0.66689E-01 376 0.341E+00 0.137E-01
DAV: 2 -0.211464787133E+02 -0.27322E-01 -0.82833E-02 624 0.429E-01 0.453E+00
DAV: 3 -0.211162996421E+02 0.30179E-01 -0.73527E-02 495 0.293E-01 0.667E-01
DAV: 4 -0.211224799987E+02 -0.61804E-02 -0.12613E-02 596 0.169E-01 0.138E+00
DAV: 5 -0.211205046078E+02 0.19754E-02 -0.10677E-02 664 0.134E-01 0.734E-01
DAV: 6 -0.211215370522E+02 -0.10324E-02 -0.66349E-03 603 0.114E-01 0.952E-01
DAV: 7 -0.211211128828E+02 0.42417E-03 -0.62658E-03 665 0.110E-01 0.919E-01
DAV: 8 -0.211207312799E+02 0.38160E-03 -0.53727E-03 605 0.952E-02 0.673E-01
DAV: 9 -0.211202314328E+02 0.49985E-03 -0.24311E-03 642 0.787E-02 0.990E-02
DAV: 10 -0.211204176227E+02 -0.18619E-03 -0.74378E-04 688 0.463E-02 0.963E-02
DAV: 11 -0.211204182410E+02 -0.61828E-06 -0.41121E-04 619 0.324E-02 0.907E-02
DAV: 12 -0.211203951009E+02 0.23140E-04 -0.27753E-04 656 0.238E-02 0.594E-02
DAV: 13 -0.211203920657E+02 0.30352E-05 -0.13397E-04 484 0.179E-02 0.561E-02
DAV: 14 -0.211203844346E+02 0.76311E-05 -0.56704E-05 251 0.135E-02
67 F= -.21120384E+02 E0= -.20929027E+02 d E =0.893745E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.211304182079E+02 -0.10026E-01 -0.57621E+00 376 0.968E+00 0.401E-01
DAV: 2 -0.213439500405E+02 -0.21353E+00 -0.61405E-01 530 0.120E+00 0.118E+01
DAV: 3 -0.211199356469E+02 0.22401E+00 -0.51189E-01 416 0.754E-01 0.177E+00
DAV: 4 -0.211481691298E+02 -0.28233E-01 -0.70713E-02 556 0.417E-01 0.272E+00
DAV: 5 -0.211449780160E+02 0.31911E-02 -0.63229E-02 632 0.288E-01 0.226E+00
DAV: 6 -0.211518586346E+02 -0.68806E-02 -0.61415E-02 688 0.263E-01 0.268E+00
DAV: 7 -0.211423198736E+02 0.95388E-02 -0.37322E-02 618 0.263E-01 0.115E+00
DAV: 8 -0.211414854700E+02 0.83440E-03 -0.16366E-02 674 0.197E-01 0.999E-01
DAV: 9 -0.211409823136E+02 0.50316E-03 -0.64446E-03 571 0.130E-01 0.680E-01
DAV: 10 -0.211409411291E+02 0.41184E-04 -0.32161E-03 688 0.882E-02 0.219E-01
DAV: 11 -0.211411609257E+02 -0.21980E-03 -0.16214E-03 681 0.656E-02 0.213E-01
DAV: 12 -0.211409713236E+02 0.18960E-03 -0.11000E-03 667 0.539E-02 0.136E-01
DAV: 13 -0.211410133079E+02 -0.41984E-04 -0.73107E-04 681 0.383E-02 0.134E-01
DAV: 14 -0.211409709720E+02 0.42336E-04 -0.41143E-04 601 0.328E-02 0.694E-02
DAV: 15 -0.211409726182E+02 -0.16462E-05 -0.21077E-04 642 0.235E-02 0.524E-02
DAV: 16 -0.211409930042E+02 -0.20386E-04 -0.14753E-04 528 0.183E-02 0.754E-02
DAV: 17 -0.211409810450E+02 0.11959E-04 -0.13080E-04 297 0.169E-02 0.519E-02
DAV: 18 -0.211409786213E+02 0.24236E-05 -0.63832E-05 289 0.147E-02
68 F= -.21140979E+02 E0= -.20949180E+02 d E =-.205942E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.211640893839E+02 -0.23108E-01 -0.30927E+01 376 0.231E+01 0.833E-01
DAV: 2 -0.214532331202E+02 -0.28914E+00 -0.12872E+00 521 0.275E+00 0.111E+01
DAV: 3 -0.213259561839E+02 0.12728E+00 -0.10559E+00 542 0.112E+00 0.900E+00
DAV: 4 -0.212665962267E+02 0.59360E-01 -0.59022E-01 674 0.771E-01 0.610E+00
DAV: 5 -0.212320196166E+02 0.34577E-01 -0.23180E-01 672 0.629E-01 0.333E+00
DAV: 6 -0.212794099359E+02 -0.47390E-01 -0.26996E-01 665 0.571E-01 0.717E+00
DAV: 7 -0.212342634367E+02 0.45146E-01 -0.29436E-01 619 0.550E-01 0.355E+00
DAV: 8 -0.212469807906E+02 -0.12717E-01 -0.13341E-01 674 0.452E-01 0.496E+00
DAV: 9 -0.212159747542E+02 0.31006E-01 -0.94507E-02 547 0.374E-01 0.690E-01
DAV: 10 -0.212230928766E+02 -0.71181E-02 -0.22663E-02 688 0.231E-01 0.596E-01
DAV: 11 -0.212237313380E+02 -0.63846E-03 -0.17246E-02 688 0.170E-01 0.646E-01
DAV: 12 -0.212221009958E+02 0.16303E-02 -0.85074E-03 696 0.137E-01 0.379E-01
DAV: 13 -0.212219969669E+02 0.10403E-03 -0.44976E-03 681 0.954E-02 0.298E-01
DAV: 14 -0.212220626402E+02 -0.65673E-04 -0.30224E-03 688 0.726E-02 0.254E-01
DAV: 15 -0.212221099509E+02 -0.47311E-04 -0.21604E-03 688 0.631E-02 0.229E-01
DAV: 16 -0.212219789098E+02 0.13104E-03 -0.13355E-03 681 0.570E-02 0.159E-01
DAV: 17 -0.212219627365E+02 0.16173E-04 -0.69143E-04 649 0.434E-02 0.117E-01
DAV: 18 -0.212219769257E+02 -0.14189E-04 -0.42563E-04 656 0.337E-02 0.105E-01
DAV: 19 -0.212219446929E+02 0.32233E-04 -0.18987E-04 554 0.245E-02 0.605E-02
DAV: 20 -0.212219566586E+02 -0.11966E-04 -0.10348E-04 505 0.177E-02 0.533E-02
DAV: 21 -0.212219470745E+02 0.95841E-05 -0.37725E-05 258 0.132E-02
69 F= -.21221947E+02 E0= -.21031354E+02 d E =-.809685E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.212122030606E+02 0.97536E-02 -0.10036E+01 376 0.131E+01 0.494E-01
DAV: 2 -0.214706558025E+02 -0.25845E+00 -0.74982E-01 456 0.155E+00 0.133E+01
DAV: 3 -0.212042797141E+02 0.26638E+00 -0.57619E-01 392 0.741E-01 0.237E+00
DAV: 4 -0.212501367726E+02 -0.45857E-01 -0.13480E-01 688 0.452E-01 0.438E+00
DAV: 5 -0.212468565513E+02 0.32802E-02 -0.14268E-01 674 0.435E-01 0.397E+00
DAV: 6 -0.212363076983E+02 0.10549E-01 -0.78007E-02 688 0.401E-01 0.245E+00
DAV: 7 -0.212395862922E+02 -0.32786E-02 -0.74899E-02 672 0.332E-01 0.293E+00
DAV: 8 -0.212307667397E+02 0.88196E-02 -0.50733E-02 580 0.263E-01 0.135E+00
DAV: 9 -0.212290353604E+02 0.17314E-02 -0.17338E-02 672 0.197E-01 0.389E-01
DAV: 10 -0.212295253757E+02 -0.49002E-03 -0.46526E-03 680 0.115E-01 0.356E-01
DAV: 11 -0.212295231276E+02 0.22481E-05 -0.31879E-03 680 0.818E-02 0.277E-01
DAV: 12 -0.212293847813E+02 0.13835E-03 -0.23921E-03 688 0.677E-02 0.210E-01
DAV: 13 -0.212292829432E+02 0.10184E-03 -0.14159E-03 680 0.535E-02 0.162E-01
DAV: 14 -0.212292791349E+02 0.38083E-05 -0.94882E-04 656 0.418E-02 0.143E-01
DAV: 15 -0.212292949539E+02 -0.15819E-04 -0.61296E-04 608 0.348E-02 0.135E-01
DAV: 16 -0.212292770320E+02 0.17922E-04 -0.45075E-04 656 0.307E-02 0.919E-02
DAV: 17 -0.212292766028E+02 0.42924E-06 -0.17667E-04 626 0.239E-02 0.551E-02
DAV: 18 -0.212292789886E+02 -0.23859E-05 -0.11003E-04 544 0.179E-02 0.404E-02
DAV: 19 -0.212292783387E+02 0.64990E-06 -0.58995E-05 450 0.159E-02
70 F= -.21229278E+02 E0= -.21038647E+02 d E =-.733126E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.209787797736E+02 0.25050E+00 -0.56471E+01 376 0.309E+01 0.126E+00
DAV: 2 -0.217278933484E+02 -0.74911E+00 -0.29917E+00 531 0.410E+00 0.140E+01
DAV: 3 -0.212373934188E+02 0.49050E+00 -0.10485E+00 634 0.181E+00 0.102E+01
DAV: 4 -0.212497399519E+02 -0.12347E-01 -0.10809E+00 596 0.112E+00 0.113E+01
DAV: 5 -0.211153910892E+02 0.13435E+00 -0.61591E-01 680 0.881E-01 0.422E+00
DAV: 6 -0.212257306572E+02 -0.11034E+00 -0.55569E-01 619 0.821E-01 0.890E+00
DAV: 7 -0.211220042710E+02 0.10373E+00 -0.37919E-01 673 0.744E-01 0.351E+00
DAV: 8 -0.211543190702E+02 -0.32315E-01 -0.22811E-01 653 0.572E-01 0.684E+00
DAV: 9 -0.210949970499E+02 0.59322E-01 -0.16405E-01 609 0.420E-01 0.101E+00
DAV: 10 -0.211072396497E+02 -0.12243E-01 -0.44298E-02 681 0.283E-01 0.109E+00
DAV: 11 -0.211063326956E+02 0.90695E-03 -0.28250E-02 680 0.224E-01 0.825E-01
DAV: 12 -0.211057642776E+02 0.56842E-03 -0.16390E-02 681 0.173E-01 0.582E-01
DAV: 13 -0.211052504103E+02 0.51387E-03 -0.11588E-02 681 0.155E-01 0.437E-01
DAV: 14 -0.211050216770E+02 0.22873E-03 -0.64065E-03 688 0.112E-01 0.422E-01
DAV: 15 -0.211048980117E+02 0.12367E-03 -0.41711E-03 688 0.871E-02 0.369E-01
DAV: 16 -0.211050299945E+02 -0.13198E-03 -0.24298E-03 681 0.789E-02 0.328E-01
DAV: 17 -0.211049150133E+02 0.11498E-03 -0.17680E-03 688 0.693E-02 0.208E-01
DAV: 18 -0.211048536054E+02 0.61408E-04 -0.82159E-04 681 0.497E-02 0.131E-01
DAV: 19 -0.211048874787E+02 -0.33873E-04 -0.41181E-04 610 0.344E-02 0.111E-01
DAV: 20 -0.211048640102E+02 0.23469E-04 -0.17360E-04 577 0.267E-02 0.548E-02
DAV: 21 -0.211048620630E+02 0.19472E-05 -0.66240E-05 483 0.172E-02
71 F= -.21104862E+02 E0= -.20911920E+02 d E =0.124416E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.210989768405E+02 0.58872E-02 -0.33633E-01 376 0.240E+00 0.102E-01
DAV: 2 -0.211050994284E+02 -0.61226E-02 -0.21845E-02 624 0.292E-01 0.188E+00
DAV: 3 -0.210997655971E+02 0.53338E-02 -0.20741E-02 461 0.173E-01 0.104E+00
DAV: 4 -0.211009397033E+02 -0.11741E-02 -0.10955E-02 672 0.138E-01 0.107E+00
DAV: 5 -0.210992312420E+02 0.17085E-02 -0.51189E-03 651 0.112E-01 0.359E-01
DAV: 6 -0.211001449629E+02 -0.91372E-03 -0.31147E-03 656 0.766E-02 0.713E-01
DAV: 7 -0.210996128363E+02 0.53213E-03 -0.27059E-03 674 0.702E-02 0.311E-01
DAV: 8 -0.211003479454E+02 -0.73511E-03 -0.30100E-03 681 0.687E-02 0.919E-01
DAV: 9 -0.210991657214E+02 0.11822E-02 -0.22533E-03 539 0.690E-02 0.979E-02
DAV: 10 -0.210995375362E+02 -0.37181E-03 -0.38807E-04 656 0.430E-02 0.686E-02
DAV: 11 -0.210995589740E+02 -0.21438E-04 -0.27171E-04 619 0.252E-02 0.777E-02
DAV: 12 -0.210995469021E+02 0.12072E-04 -0.17102E-04 408 0.201E-02 0.674E-02
DAV: 13 -0.210995307708E+02 0.16131E-04 -0.72270E-05 324 0.169E-02 0.422E-02
DAV: 14 -0.210995274988E+02 0.32720E-05 -0.25450E-05 275 0.124E-02
72 F= -.21099527E+02 E0= -.20906538E+02 d E =0.533456E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.210990617189E+02 0.46905E-03 -0.48335E-01 376 0.292E+00 0.130E-01
DAV: 2 -0.211115475129E+02 -0.12486E-01 -0.43611E-02 632 0.367E-01 0.293E+00
DAV: 3 -0.210983078782E+02 0.13240E-01 -0.41102E-02 461 0.223E-01 0.850E-01
DAV: 4 -0.211016256216E+02 -0.33177E-02 -0.11241E-02 626 0.152E-01 0.126E+00
DAV: 5 -0.210999840915E+02 0.16415E-02 -0.78166E-03 601 0.123E-01 0.544E-01
DAV: 6 -0.211003073229E+02 -0.32323E-03 -0.35771E-03 688 0.875E-02 0.406E-01
DAV: 7 -0.211010359926E+02 -0.72867E-03 -0.37229E-03 588 0.796E-02 0.903E-01
DAV: 8 -0.211003221125E+02 0.71388E-03 -0.41461E-03 658 0.878E-02 0.686E-01
DAV: 9 -0.210998919222E+02 0.43019E-03 -0.18389E-03 617 0.712E-02 0.213E-01
DAV: 10 -0.211000098276E+02 -0.11791E-03 -0.64628E-04 656 0.478E-02 0.809E-02
DAV: 11 -0.211000322951E+02 -0.22467E-04 -0.36787E-04 641 0.302E-02 0.890E-02
DAV: 12 -0.211000156535E+02 0.16642E-04 -0.19873E-04 552 0.231E-02 0.695E-02
DAV: 13 -0.210999950911E+02 0.20562E-04 -0.10523E-04 434 0.196E-02 0.403E-02
DAV: 14 -0.210999933569E+02 0.17341E-05 -0.35280E-05 258 0.135E-02
73 F= -.21099993E+02 E0= -.20906962E+02 d E =-.465858E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.210942574848E+02 0.57376E-02 -0.16998E-01 376 0.170E+00 0.770E-02
DAV: 2 -0.210983981981E+02 -0.41407E-02 -0.13879E-02 601 0.195E-01 0.126E+00
DAV: 3 -0.210962209678E+02 0.21772E-02 -0.17286E-02 519 0.148E-01 0.133E+00
DAV: 4 -0.210940099930E+02 0.22110E-02 -0.65258E-03 578 0.124E-01 0.335E-01
DAV: 5 -0.210946477492E+02 -0.63776E-03 -0.12768E-03 529 0.727E-02 0.424E-01
DAV: 6 -0.210948612096E+02 -0.21346E-03 -0.19237E-03 681 0.594E-02 0.574E-01
DAV: 7 -0.210944941591E+02 0.36705E-03 -0.14456E-03 603 0.538E-02 0.203E-01
DAV: 8 -0.210948550778E+02 -0.36092E-03 -0.14898E-03 633 0.465E-02 0.571E-01
DAV: 9 -0.210943898226E+02 0.46526E-03 -0.11198E-03 446 0.438E-02 0.601E-02
DAV: 10 -0.210945118227E+02 -0.12200E-03 -0.14299E-04 480 0.283E-02 0.479E-02
DAV: 11 -0.210945084460E+02 0.33767E-05 -0.83237E-05 387 0.158E-02
74 F= -.21094508E+02 E0= -.20901277E+02 d E =0.548491E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.210537760513E+02 0.40736E-01 -0.49637E+00 376 0.931E+00 0.321E-01
DAV: 2 -0.211130289871E+02 -0.59253E-01 -0.22347E-01 505 0.117E+00 0.535E+00
DAV: 3 -0.210694229466E+02 0.43606E-01 -0.16457E-01 557 0.476E-01 0.296E+00
DAV: 4 -0.210751776111E+02 -0.57547E-02 -0.86831E-02 562 0.350E-01 0.312E+00
DAV: 5 -0.210632626116E+02 0.11915E-01 -0.50129E-02 664 0.258E-01 0.113E+00
DAV: 6 -0.210742349961E+02 -0.10972E-01 -0.44879E-02 633 0.246E-01 0.299E+00
DAV: 7 -0.210629476542E+02 0.11287E-01 -0.36863E-02 688 0.242E-01 0.778E-01
DAV: 8 -0.210642487734E+02 -0.13011E-02 -0.93019E-03 652 0.173E-01 0.768E-01
DAV: 9 -0.210642092576E+02 0.39516E-04 -0.52628E-03 600 0.112E-01 0.758E-01
DAV: 10 -0.210638403013E+02 0.36896E-03 -0.44734E-03 674 0.856E-02 0.239E-01
DAV: 11 -0.210640160311E+02 -0.17573E-03 -0.24458E-03 680 0.645E-02 0.232E-01
DAV: 12 -0.210638712671E+02 0.14476E-03 -0.16260E-03 688 0.549E-02 0.160E-01
DAV: 13 -0.210638657993E+02 0.54678E-05 -0.94818E-04 681 0.459E-02 0.141E-01
DAV: 14 -0.210638363942E+02 0.29405E-04 -0.61908E-04 681 0.331E-02 0.100E-01
DAV: 15 -0.210638208638E+02 0.15530E-04 -0.33841E-04 649 0.268E-02 0.737E-02
DAV: 16 -0.210638289321E+02 -0.80683E-05 -0.19704E-04 656 0.233E-02 0.652E-02
DAV: 17 -0.210638294810E+02 -0.54885E-06 -0.11164E-04 570 0.198E-02 0.471E-02
DAV: 18 -0.210638178382E+02 0.11643E-04 -0.35935E-05 307 0.144E-02 0.274E-02
DAV: 19 -0.210638150442E+02 0.27940E-05 -0.13117E-05 244 0.934E-03
75 F= -.21063815E+02 E0= -.20870210E+02 d E =0.306934E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.210687971967E+02 -0.49794E-02 -0.30882E+01 376 0.229E+01 0.883E-01
DAV: 2 -0.216072503831E+02 -0.53845E+00 -0.17860E+00 476 0.290E+00 0.170E+01
DAV: 3 -0.211753328406E+02 0.43192E+00 -0.12761E+00 644 0.111E+00 0.667E+00
DAV: 4 -0.211897801137E+02 -0.14447E-01 -0.38911E-01 628 0.785E-01 0.678E+00
DAV: 5 -0.211577759290E+02 0.32004E-01 -0.32177E-01 672 0.641E-01 0.470E+00
DAV: 6 -0.212440491388E+02 -0.86273E-01 -0.48033E-01 688 0.638E-01 0.942E+00
DAV: 7 -0.211299858402E+02 0.11406E+00 -0.32062E-01 658 0.605E-01 0.167E+00
DAV: 8 -0.211573878741E+02 -0.27402E-01 -0.12458E-01 635 0.471E-01 0.459E+00
DAV: 9 -0.211306162936E+02 0.26772E-01 -0.85349E-02 585 0.343E-01 0.738E-01
DAV: 10 -0.211378713462E+02 -0.72551E-02 -0.20649E-02 650 0.221E-01 0.707E-01
DAV: 11 -0.211378478756E+02 0.23471E-04 -0.14719E-02 688 0.166E-01 0.645E-01
DAV: 12 -0.211365669045E+02 0.12810E-02 -0.88916E-03 657 0.134E-01 0.423E-01
DAV: 13 -0.211364033870E+02 0.16352E-03 -0.44896E-03 688 0.909E-02 0.288E-01
DAV: 14 -0.211366034998E+02 -0.20011E-03 -0.36787E-03 688 0.791E-02 0.291E-01
DAV: 15 -0.211366075596E+02 -0.40597E-05 -0.34119E-03 681 0.724E-02 0.277E-01
DAV: 16 -0.211363450843E+02 0.26248E-03 -0.16194E-03 664 0.649E-02 0.163E-01
DAV: 17 -0.211364283879E+02 -0.83304E-04 -0.99395E-04 688 0.432E-02 0.143E-01
DAV: 18 -0.211363600960E+02 0.68292E-04 -0.48624E-04 680 0.377E-02 0.800E-02
DAV: 19 -0.211363872923E+02 -0.27196E-04 -0.26061E-04 649 0.276E-02 0.727E-02
DAV: 20 -0.211363632520E+02 0.24040E-04 -0.94277E-05 480 0.210E-02 0.311E-02
DAV: 21 -0.211363701733E+02 -0.69213E-05 -0.50110E-05 355 0.122E-02
76 F= -.21136370E+02 E0= -.20943629E+02 d E =-.725551E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.211328174048E+02 0.35458E-02 -0.66770E-02 376 0.105E+00 0.466E-02
DAV: 2 -0.211342547752E+02 -0.14374E-02 -0.42526E-03 617 0.117E-01 0.924E-01
DAV: 3 -0.211329370679E+02 0.13177E-02 -0.52350E-03 548 0.917E-02 0.539E-01
DAV: 4 -0.211328259828E+02 0.11109E-03 -0.15385E-03 555 0.655E-02 0.213E-01
DAV: 5 -0.211329590364E+02 -0.13305E-03 -0.57078E-04 517 0.406E-02 0.246E-01
DAV: 6 -0.211329417820E+02 0.17254E-04 -0.47510E-04 672 0.315E-02 0.173E-01
DAV: 7 -0.211329469302E+02 -0.51482E-05 -0.31828E-04 444 0.264E-02 0.181E-01
DAV: 8 -0.211329790762E+02 -0.32146E-04 -0.32291E-04 286 0.255E-02 0.278E-01
DAV: 9 -0.211328924874E+02 0.86589E-04 -0.22561E-04 224 0.225E-02 0.700E-02
DAV: 10 -0.211329017935E+02 -0.93061E-05 -0.61594E-05 209 0.142E-02
77 F= -.21132902E+02 E0= -.20940025E+02 d E =0.346838E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.211484629705E+02 -0.15570E-01 -0.26326E+00 376 0.675E+00 0.220E-01
DAV: 2 -0.211825754501E+02 -0.34112E-01 -0.12150E-01 438 0.727E-01 0.480E+00
DAV: 3 -0.211506231455E+02 0.31952E-01 -0.10972E-01 633 0.350E-01 0.153E+00
DAV: 4 -0.211557609538E+02 -0.51378E-02 -0.25122E-02 601 0.224E-01 0.169E+00
DAV: 5 -0.211526818065E+02 0.30791E-02 -0.21226E-02 680 0.179E-01 0.980E-01
DAV: 6 -0.211556371815E+02 -0.29554E-02 -0.19149E-02 672 0.152E-01 0.165E+00
DAV: 7 -0.211519077691E+02 0.37294E-02 -0.14030E-02 656 0.156E-01 0.539E-01
DAV: 8 -0.211521507529E+02 -0.24298E-03 -0.40694E-03 612 0.117E-01 0.296E-01
DAV: 9 -0.211530828876E+02 -0.93213E-03 -0.38201E-03 672 0.758E-02 0.996E-01
DAV: 10 -0.211517417551E+02 0.13411E-02 -0.29026E-03 666 0.737E-02 0.113E-01
DAV: 11 -0.211521652288E+02 -0.42347E-03 -0.72462E-04 681 0.480E-02 0.115E-01
DAV: 12 -0.211522119452E+02 -0.46716E-04 -0.76411E-04 640 0.344E-02 0.140E-01
DAV: 13 -0.211521267572E+02 0.85188E-04 -0.43770E-04 612 0.324E-02 0.732E-02
DAV: 14 -0.211521299727E+02 -0.32155E-05 -0.21797E-04 624 0.213E-02 0.569E-02
DAV: 15 -0.211521428406E+02 -0.12868E-04 -0.13116E-04 521 0.186E-02 0.544E-02
DAV: 16 -0.211521312858E+02 0.11555E-04 -0.57760E-05 304 0.158E-02 0.319E-02
DAV: 17 -0.211521324921E+02 -0.12063E-05 -0.43104E-05 306 0.112E-02
78 F= -.21152132E+02 E0= -.20959845E+02 d E =-.192307E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.210962248534E+02 0.55906E-01 -0.97080E+00 376 0.131E+01 0.420E-01
DAV: 2 -0.211853056170E+02 -0.89081E-01 -0.36775E-01 452 0.159E+00 0.707E+00
DAV: 3 -0.211164668564E+02 0.68839E-01 -0.21898E-01 656 0.578E-01 0.310E+00
DAV: 4 -0.211297473227E+02 -0.13280E-01 -0.92715E-02 596 0.367E-01 0.340E+00
DAV: 5 -0.211208358761E+02 0.89114E-02 -0.94753E-02 674 0.316E-01 0.260E+00
DAV: 6 -0.211299901068E+02 -0.91542E-02 -0.90573E-02 688 0.295E-01 0.341E+00
DAV: 7 -0.211145139897E+02 0.15476E-01 -0.61533E-02 658 0.284E-01 0.831E-01
DAV: 8 -0.211153934110E+02 -0.87942E-03 -0.13003E-02 666 0.186E-01 0.803E-01
DAV: 9 -0.211160389370E+02 -0.64553E-03 -0.96526E-03 632 0.132E-01 0.112E+00
DAV: 10 -0.211145724665E+02 0.14665E-02 -0.67990E-03 688 0.118E-01 0.257E-01
DAV: 11 -0.211151850176E+02 -0.61255E-03 -0.29922E-03 645 0.826E-02 0.317E-01
DAV: 12 -0.211150604935E+02 0.12452E-03 -0.22797E-03 688 0.646E-02 0.229E-01
DAV: 13 -0.211148748715E+02 0.18562E-03 -0.14404E-03 674 0.552E-02 0.115E-01
DAV: 14 -0.211149542135E+02 -0.79342E-04 -0.78995E-04 656 0.405E-02 0.126E-01
DAV: 15 -0.211149260608E+02 0.28153E-04 -0.69591E-04 681 0.351E-02 0.866E-02
DAV: 16 -0.211149113704E+02 0.14690E-04 -0.36857E-04 656 0.299E-02 0.664E-02
DAV: 17 -0.211149187435E+02 -0.73731E-05 -0.18898E-04 621 0.258E-02 0.560E-02
DAV: 18 -0.211149074355E+02 0.11308E-04 -0.81156E-05 528 0.176E-02 0.266E-02
DAV: 19 -0.211149077994E+02 -0.36390E-06 -0.21957E-05 269 0.113E-02
79 F= -.21114908E+02 E0= -.20921798E+02 d E =0.372247E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.210871495335E+02 0.27758E-01 -0.25416E+00 376 0.660E+00 0.266E-01
DAV: 2 -0.211521781499E+02 -0.65029E-01 -0.17254E-01 608 0.820E-01 0.561E+00
DAV: 3 -0.210859509731E+02 0.66227E-01 -0.10320E-01 480 0.494E-01 0.127E+00
DAV: 4 -0.210979093604E+02 -0.11958E-01 -0.41824E-02 552 0.273E-01 0.238E+00
DAV: 5 -0.210911449083E+02 0.67645E-02 -0.28596E-02 672 0.208E-01 0.744E-01
DAV: 6 -0.210961053014E+02 -0.49604E-02 -0.24031E-02 688 0.174E-01 0.189E+00
DAV: 7 -0.210919502075E+02 0.41551E-02 -0.23090E-02 527 0.170E-01 0.970E-01
DAV: 8 -0.210918218416E+02 0.12837E-03 -0.71631E-03 672 0.132E-01 0.690E-01
DAV: 9 -0.210916864578E+02 0.13538E-03 -0.26838E-03 580 0.830E-02 0.457E-01
DAV: 10 -0.210916860984E+02 0.35933E-06 -0.13981E-03 688 0.584E-02 0.153E-01
DAV: 11 -0.210917685104E+02 -0.82412E-04 -0.10797E-03 649 0.458E-02 0.166E-01
DAV: 12 -0.210917048952E+02 0.63615E-04 -0.87698E-04 656 0.369E-02 0.121E-01
DAV: 13 -0.210916676294E+02 0.37266E-04 -0.43531E-04 634 0.324E-02 0.882E-02
DAV: 14 -0.210916837063E+02 -0.16077E-04 -0.26089E-04 608 0.228E-02 0.839E-02
DAV: 15 -0.210916704741E+02 0.13232E-04 -0.12738E-04 370 0.213E-02 0.469E-02
DAV: 16 -0.210916659651E+02 0.45091E-05 -0.60517E-05 344 0.158E-02
80 F= -.21091666E+02 E0= -.20898332E+02 d E =0.232418E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.210862416733E+02 0.54288E-02 -0.12822E+00 376 0.485E+00 0.198E-01
DAV: 2 -0.211152420019E+02 -0.29000E-01 -0.88993E-02 415 0.660E-01 0.425E+00
DAV: 3 -0.210868709411E+02 0.28371E-01 -0.76005E-02 450 0.319E-01 0.158E+00
DAV: 4 -0.210918678415E+02 -0.49969E-02 -0.23859E-02 653 0.213E-01 0.152E+00
DAV: 5 -0.210892859797E+02 0.25819E-02 -0.13188E-02 674 0.164E-01 0.629E-01
DAV: 6 -0.210930692684E+02 -0.37833E-02 -0.15586E-02 610 0.146E-01 0.185E+00
DAV: 7 -0.210882920476E+02 0.47772E-02 -0.13094E-02 658 0.153E-01 0.423E-01
DAV: 8 -0.210899910894E+02 -0.16990E-02 -0.47733E-03 626 0.107E-01 0.934E-01
DAV: 9 -0.210889704990E+02 0.10206E-02 -0.32384E-03 641 0.850E-02 0.349E-01
DAV: 10 -0.210891031196E+02 -0.13262E-03 -0.13642E-03 674 0.571E-02 0.114E-01
DAV: 11 -0.210891816534E+02 -0.78534E-04 -0.62413E-04 656 0.392E-02 0.126E-01
DAV: 12 -0.210891444509E+02 0.37202E-04 -0.53479E-04 640 0.312E-02 0.976E-02
DAV: 13 -0.210891109410E+02 0.33510E-04 -0.29215E-04 640 0.261E-02 0.679E-02
DAV: 14 -0.210891071310E+02 0.38100E-05 -0.14259E-04 568 0.197E-02 0.492E-02
DAV: 15 -0.210891146914E+02 -0.75604E-05 -0.74642E-05 296 0.159E-02
81 F= -.21089115E+02 E0= -.20896021E+02 d E =0.255127E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.210830448211E+02 0.60623E-02 -0.17767E+00 376 0.571E+00 0.243E-01
DAV: 2 -0.211457104822E+02 -0.62666E-01 -0.20220E-01 424 0.759E-01 0.697E+00
DAV: 3 -0.210785541598E+02 0.67156E-01 -0.19511E-01 434 0.388E-01 0.121E+00
DAV: 4 -0.210904193764E+02 -0.11865E-01 -0.25949E-02 506 0.239E-01 0.205E+00
DAV: 5 -0.210875046162E+02 0.29148E-02 -0.23016E-02 608 0.174E-01 0.135E+00
DAV: 6 -0.210894783781E+02 -0.19738E-02 -0.15938E-02 688 0.150E-01 0.133E+00
DAV: 7 -0.210873848125E+02 0.20936E-02 -0.11898E-02 619 0.159E-01 0.834E-01
DAV: 8 -0.210868481182E+02 0.53669E-03 -0.63981E-03 672 0.126E-01 0.660E-01
DAV: 9 -0.210865448400E+02 0.30328E-03 -0.34483E-03 547 0.872E-02 0.434E-01
DAV: 10 -0.210864750532E+02 0.69787E-04 -0.14074E-03 680 0.643E-02 0.122E-01
DAV: 11 -0.210866524349E+02 -0.17738E-03 -0.93364E-04 642 0.439E-02 0.199E-01
DAV: 12 -0.210864783049E+02 0.17413E-03 -0.75911E-04 617 0.374E-02 0.875E-02
DAV: 13 -0.210864925160E+02 -0.14211E-04 -0.28671E-04 618 0.260E-02 0.715E-02
DAV: 14 -0.210864972087E+02 -0.46928E-05 -0.16619E-04 488 0.205E-02 0.605E-02
DAV: 15 -0.210864878391E+02 0.93696E-05 -0.82691E-05 329 0.183E-02
82 F= -.21086488E+02 E0= -.20892970E+02 d E =0.262685E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.210571070343E+02 0.29390E-01 -0.64199E+00 376 0.105E+01 0.335E-01
DAV: 2 -0.211157491780E+02 -0.58642E-01 -0.21357E-01 456 0.117E+00 0.553E+00
DAV: 3 -0.210734209338E+02 0.42328E-01 -0.15354E-01 624 0.478E-01 0.321E+00
DAV: 4 -0.210789797900E+02 -0.55589E-02 -0.84083E-02 672 0.363E-01 0.314E+00
DAV: 5 -0.210676679572E+02 0.11312E-01 -0.48550E-02 680 0.289E-01 0.148E+00
DAV: 6 -0.210770980522E+02 -0.94301E-02 -0.56120E-02 688 0.243E-01 0.289E+00
DAV: 7 -0.210667817865E+02 0.10316E-01 -0.47508E-02 688 0.232E-01 0.941E-01
DAV: 8 -0.210764383279E+02 -0.96565E-02 -0.36495E-02 605 0.201E-01 0.282E+00
DAV: 9 -0.210650631535E+02 0.11375E-01 -0.28879E-02 688 0.197E-01 0.269E-01
DAV: 10 -0.210671239599E+02 -0.20608E-02 -0.41745E-03 688 0.126E-01 0.247E-01
DAV: 11 -0.210673638108E+02 -0.23985E-03 -0.24935E-03 651 0.803E-02 0.278E-01
DAV: 12 -0.210671696714E+02 0.19414E-03 -0.14488E-03 664 0.582E-02 0.149E-01
DAV: 13 -0.210671136250E+02 0.56046E-04 -0.77834E-04 673 0.447E-02 0.988E-02
DAV: 14 -0.210671426899E+02 -0.29065E-04 -0.45935E-04 656 0.291E-02 0.106E-01
DAV: 15 -0.210671505246E+02 -0.78347E-05 -0.39424E-04 656 0.270E-02 0.914E-02
DAV: 16 -0.210671323416E+02 0.18183E-04 -0.18432E-04 473 0.244E-02 0.503E-02
DAV: 17 -0.210671424935E+02 -0.10152E-04 -0.12432E-04 568 0.181E-02 0.459E-02
DAV: 18 -0.210671415289E+02 0.96462E-06 -0.43538E-05 261 0.150E-02
83 F= -.21067142E+02 E0= -.20872719E+02 d E =0.193463E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.210501787356E+02 0.16964E-01 -0.23773E+00 376 0.634E+00 0.263E-01
DAV: 2 -0.211515072212E+02 -0.10133E+00 -0.28271E-01 594 0.797E-01 0.807E+00
DAV: 3 -0.210457356470E+02 0.10577E+00 -0.20773E-01 602 0.535E-01 0.138E+00
DAV: 4 -0.210592548235E+02 -0.13519E-01 -0.36700E-02 573 0.295E-01 0.204E+00
DAV: 5 -0.210554910615E+02 0.37638E-02 -0.30472E-02 688 0.226E-01 0.136E+00
DAV: 6 -0.210580620481E+02 -0.25710E-02 -0.26907E-02 651 0.181E-01 0.173E+00
DAV: 7 -0.210548444221E+02 0.32176E-02 -0.18166E-02 617 0.175E-01 0.727E-01
DAV: 8 -0.210579792294E+02 -0.31348E-02 -0.12782E-02 628 0.148E-01 0.190E+00
DAV: 9 -0.210533474108E+02 0.46318E-02 -0.92700E-03 656 0.127E-01 0.200E-01
DAV: 10 -0.210545621495E+02 -0.12147E-02 -0.20427E-03 681 0.830E-02 0.161E-01
DAV: 11 -0.210545916633E+02 -0.29514E-04 -0.11182E-03 680 0.541E-02 0.156E-01
DAV: 12 -0.210545136453E+02 0.78018E-04 -0.67334E-04 656 0.399E-02 0.105E-01
DAV: 13 -0.210545316127E+02 -0.17967E-04 -0.43498E-04 656 0.298E-02 0.114E-01
DAV: 14 -0.210544998051E+02 0.31808E-04 -0.24071E-04 610 0.248E-02 0.591E-02
DAV: 15 -0.210545008293E+02 -0.10242E-05 -0.13225E-04 560 0.194E-02 0.467E-02
DAV: 16 -0.210545013037E+02 -0.47442E-06 -0.84772E-05 361 0.142E-02
84 F= -.21054501E+02 E0= -.20860321E+02 d E =0.126402E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.210410232018E+02 0.13478E-01 -0.56032E+00 376 0.986E+00 0.469E-01
DAV: 2 -0.213447162752E+02 -0.30369E+00 -0.79516E-01 532 0.131E+00 0.136E+01
DAV: 3 -0.210325140627E+02 0.31220E+00 -0.57978E-01 462 0.853E-01 0.315E+00
DAV: 4 -0.210617363478E+02 -0.29222E-01 -0.11528E-01 674 0.449E-01 0.347E+00
DAV: 5 -0.210643031986E+02 -0.25669E-02 -0.99004E-02 648 0.375E-01 0.358E+00
DAV: 6 -0.210521249054E+02 0.12178E-01 -0.71694E-02 674 0.331E-01 0.142E+00
DAV: 7 -0.210550265094E+02 -0.29016E-02 -0.34742E-02 648 0.257E-01 0.164E+00
DAV: 8 -0.210563896398E+02 -0.13631E-02 -0.35374E-02 595 0.212E-01 0.232E+00
DAV: 9 -0.210493667286E+02 0.70229E-02 -0.19643E-02 688 0.173E-01 0.289E-01
DAV: 10 -0.210509265224E+02 -0.15598E-02 -0.40068E-03 688 0.112E-01 0.248E-01
DAV: 11 -0.210509469589E+02 -0.20437E-04 -0.22319E-03 673 0.739E-02 0.209E-01
DAV: 12 -0.210508876997E+02 0.59259E-04 -0.12987E-03 688 0.528E-02 0.170E-01
DAV: 13 -0.210507993801E+02 0.88320E-04 -0.80176E-04 628 0.430E-02 0.107E-01
DAV: 14 -0.210508040924E+02 -0.47123E-05 -0.35543E-04 608 0.302E-02 0.863E-02
DAV: 15 -0.210508000562E+02 0.40362E-05 -0.20168E-04 626 0.250E-02 0.677E-02
DAV: 16 -0.210508001629E+02 -0.10667E-06 -0.13203E-04 536 0.197E-02 0.560E-02
DAV: 17 -0.210508139190E+02 -0.13756E-04 -0.19121E-04 563 0.167E-02 0.569E-02
DAV: 18 -0.210507932512E+02 0.20668E-04 -0.72689E-05 346 0.149E-02 0.305E-02
DAV: 19 -0.210507915338E+02 0.17174E-05 -0.24766E-05 271 0.936E-03
85 F= -.21050792E+02 E0= -.20856978E+02 d E =0.370977E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.210278106885E+02 0.22983E-01 -0.86294E+00 376 0.124E+01 0.501E-01
DAV: 2 -0.214325614937E+02 -0.40475E+00 -0.11690E+00 512 0.156E+00 0.164E+01
DAV: 3 -0.210042634593E+02 0.42830E+00 -0.67783E-01 432 0.883E-01 0.131E+00
DAV: 4 -0.210721119928E+02 -0.67849E-01 -0.11460E-01 566 0.468E-01 0.542E+00
DAV: 5 -0.210408749516E+02 0.31237E-01 -0.10455E-01 656 0.373E-01 0.203E+00
DAV: 6 -0.210635564508E+02 -0.22681E-01 -0.84850E-02 642 0.362E-01 0.383E+00
DAV: 7 -0.210415024143E+02 0.22054E-01 -0.58915E-02 588 0.342E-01 0.170E+00
DAV: 8 -0.210469421051E+02 -0.54397E-02 -0.41876E-02 644 0.248E-01 0.228E+00
DAV: 9 -0.210399251303E+02 0.70170E-02 -0.18849E-02 594 0.199E-01 0.419E-01
DAV: 10 -0.210416101944E+02 -0.16851E-02 -0.57517E-03 688 0.133E-01 0.322E-01
DAV: 11 -0.210416574216E+02 -0.47227E-04 -0.31128E-03 614 0.943E-02 0.273E-01
DAV: 12 -0.210415378636E+02 0.11956E-03 -0.22957E-03 656 0.662E-02 0.193E-01
DAV: 13 -0.210414734201E+02 0.64443E-04 -0.14907E-03 688 0.529E-02 0.136E-01
DAV: 14 -0.210414896044E+02 -0.16184E-04 -0.70679E-04 688 0.390E-02 0.140E-01
DAV: 15 -0.210414256348E+02 0.63970E-04 -0.39660E-04 633 0.312E-02 0.799E-02
DAV: 16 -0.210414565523E+02 -0.30917E-04 -0.23680E-04 601 0.217E-02 0.900E-02
DAV: 17 -0.210414532730E+02 0.32793E-05 -0.19188E-04 544 0.212E-02 0.657E-02
DAV: 18 -0.210414370400E+02 0.16233E-04 -0.95238E-05 442 0.177E-02 0.383E-02
DAV: 19 -0.210414360127E+02 0.10274E-05 -0.24720E-05 282 0.115E-02
86 F= -.21041436E+02 E0= -.20846677E+02 d E =0.935552E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.209579123005E+02 0.83525E-01 -0.14740E+01 376 0.157E+01 0.519E-01
DAV: 2 -0.210390547414E+02 -0.81142E-01 -0.43644E-01 468 0.183E+00 0.480E+00
DAV: 3 -0.210131583137E+02 0.25896E-01 -0.19191E-01 688 0.623E-01 0.461E+00
DAV: 4 -0.210045952082E+02 0.85631E-02 -0.15610E-01 557 0.485E-01 0.488E+00
DAV: 5 -0.209874385217E+02 0.17157E-01 -0.11627E-01 688 0.385E-01 0.220E+00
DAV: 6 -0.210077075989E+02 -0.20269E-01 -0.91655E-02 688 0.335E-01 0.435E+00
DAV: 7 -0.209863994087E+02 0.21308E-01 -0.87131E-02 601 0.344E-01 0.165E+00
DAV: 8 -0.209890216445E+02 -0.26222E-02 -0.40253E-02 667 0.253E-01 0.193E+00
DAV: 9 -0.209852262859E+02 0.37954E-02 -0.22180E-02 593 0.181E-01 0.902E-01
DAV: 10 -0.209858728450E+02 -0.64656E-03 -0.11103E-02 688 0.132E-01 0.424E-01
DAV: 11 -0.209860094739E+02 -0.13663E-03 -0.68260E-03 664 0.108E-01 0.388E-01
DAV: 12 -0.209858250122E+02 0.18446E-03 -0.47423E-03 688 0.914E-02 0.310E-01
DAV: 13 -0.209854470122E+02 0.37800E-03 -0.27499E-03 666 0.793E-02 0.177E-01
DAV: 14 -0.209855937191E+02 -0.14671E-03 -0.16376E-03 688 0.571E-02 0.187E-01
DAV: 15 -0.209855017714E+02 0.91948E-04 -0.13472E-03 688 0.480E-02 0.139E-01
DAV: 16 -0.209854895503E+02 0.12221E-04 -0.65115E-04 656 0.397E-02 0.115E-01
DAV: 17 -0.209855065007E+02 -0.16950E-04 -0.39878E-04 656 0.326E-02 0.103E-01
DAV: 18 -0.209854552103E+02 0.51290E-04 -0.19653E-04 641 0.245E-02 0.404E-02
DAV: 19 -0.209854662117E+02 -0.11001E-04 -0.97117E-05 560 0.161E-02 0.341E-02
DAV: 20 -0.209854660254E+02 0.18632E-06 -0.29231E-05 314 0.128E-02
87 F= -.20985466E+02 E0= -.20789648E+02 d E =0.559700E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.209613119825E+02 0.24154E-01 -0.11611E+01 376 0.144E+01 0.633E-01
DAV: 2 -0.214827360100E+02 -0.52142E+00 -0.13074E+00 546 0.207E+00 0.208E+01
DAV: 3 -0.209857295380E+02 0.49701E+00 -0.84894E-01 437 0.102E+00 0.514E+00
DAV: 4 -0.210167934858E+02 -0.31064E-01 -0.28881E-01 642 0.655E-01 0.493E+00
DAV: 5 -0.209935205486E+02 0.23273E-01 -0.16524E-01 680 0.508E-01 0.270E+00
DAV: 6 -0.210390302750E+02 -0.45510E-01 -0.22979E-01 649 0.442E-01 0.633E+00
DAV: 7 -0.209861581085E+02 0.52872E-01 -0.22682E-01 688 0.450E-01 0.146E+00
DAV: 8 -0.210146969084E+02 -0.28539E-01 -0.13008E-01 533 0.392E-01 0.501E+00
DAV: 9 -0.209803515414E+02 0.34345E-01 -0.96292E-02 688 0.323E-01 0.557E-01
DAV: 10 -0.209872904682E+02 -0.69389E-02 -0.13296E-02 688 0.222E-01 0.457E-01
DAV: 11 -0.209875122787E+02 -0.22181E-03 -0.78318E-03 650 0.140E-01 0.427E-01
DAV: 12 -0.209869323267E+02 0.57995E-03 -0.40774E-03 688 0.934E-02 0.288E-01
DAV: 13 -0.209867920320E+02 0.14029E-03 -0.19574E-03 688 0.688E-02 0.202E-01
DAV: 14 -0.209869219141E+02 -0.12988E-03 -0.15308E-03 688 0.493E-02 0.225E-01
DAV: 15 -0.209868652266E+02 0.56688E-04 -0.11810E-03 660 0.459E-02 0.163E-01
DAV: 16 -0.209867746799E+02 0.90547E-04 -0.54468E-04 688 0.361E-02 0.665E-02
DAV: 17 -0.209868362277E+02 -0.61548E-04 -0.30424E-04 649 0.256E-02 0.845E-02
DAV: 18 -0.209868066023E+02 0.29625E-04 -0.15212E-04 570 0.245E-02 0.491E-02
DAV: 19 -0.209868091649E+02 -0.25626E-05 -0.69853E-05 497 0.161E-02
88 F= -.20986809E+02 E0= -.20790551E+02 d E =-.134314E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.209947293092E+02 -0.79227E-02 -0.54036E-01 376 0.303E+00 0.111E-01
DAV: 2 -0.210080401456E+02 -0.13311E-01 -0.41933E-02 488 0.336E-01 0.319E+00
DAV: 3 -0.209931702539E+02 0.14870E-01 -0.37588E-02 452 0.218E-01 0.587E-01
DAV: 4 -0.209969150580E+02 -0.37448E-02 -0.82951E-03 644 0.135E-01 0.117E+00
DAV: 5 -0.209952494705E+02 0.16656E-02 -0.60371E-03 467 0.107E-01 0.379E-01
DAV: 6 -0.209959370205E+02 -0.68755E-03 -0.31882E-03 688 0.773E-02 0.501E-01
DAV: 7 -0.209960907897E+02 -0.15377E-03 -0.29606E-03 589 0.722E-02 0.725E-01
DAV: 8 -0.209959175775E+02 0.17321E-03 -0.32882E-03 665 0.792E-02 0.685E-01
DAV: 9 -0.209953046802E+02 0.61290E-03 -0.15034E-03 600 0.620E-02 0.106E-01
DAV: 10 -0.209955041219E+02 -0.19944E-03 -0.41630E-04 656 0.405E-02 0.614E-02
DAV: 11 -0.209955250242E+02 -0.20902E-04 -0.22407E-04 625 0.251E-02 0.799E-02
DAV: 12 -0.209955106138E+02 0.14410E-04 -0.14851E-04 331 0.186E-02 0.645E-02
DAV: 13 -0.209954998937E+02 0.10720E-04 -0.11278E-04 419 0.172E-02 0.341E-02
DAV: 14 -0.209955023167E+02 -0.24231E-05 -0.48009E-05 271 0.117E-02
89 F= -.20995502E+02 E0= -.20799559E+02 d E =-.869315E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.209938718472E+02 0.16280E-02 -0.32180E+00 376 0.746E+00 0.332E-01
DAV: 2 -0.210987264112E+02 -0.10485E+00 -0.30491E-01 528 0.982E-01 0.801E+00
DAV: 3 -0.209967273918E+02 0.10200E+00 -0.27354E-01 460 0.596E-01 0.247E+00
DAV: 4 -0.210135331888E+02 -0.16806E-01 -0.67914E-02 624 0.350E-01 0.335E+00
DAV: 5 -0.210018990836E+02 0.11634E-01 -0.66842E-02 656 0.290E-01 0.208E+00
DAV: 6 -0.210022742436E+02 -0.37516E-03 -0.36637E-02 648 0.245E-01 0.146E+00
DAV: 7 -0.210016882516E+02 0.58599E-03 -0.21554E-02 688 0.186E-01 0.628E-01
DAV: 8 -0.210014531873E+02 0.23506E-03 -0.12954E-02 634 0.145E-01 0.123E+00
DAV: 9 -0.209998367559E+02 0.16164E-02 -0.82334E-03 608 0.112E-01 0.600E-01
DAV: 10 -0.209998155690E+02 0.21187E-04 -0.26047E-03 673 0.840E-02 0.148E-01
DAV: 11 -0.210000053737E+02 -0.18980E-03 -0.12608E-03 656 0.538E-02 0.182E-01
DAV: 12 -0.209999654182E+02 0.39955E-04 -0.10578E-03 674 0.402E-02 0.157E-01
DAV: 13 -0.209998897779E+02 0.75640E-04 -0.60572E-04 656 0.349E-02 0.873E-02
DAV: 14 -0.209998877730E+02 0.20049E-05 -0.30286E-04 648 0.258E-02 0.747E-02
DAV: 15 -0.209998965334E+02 -0.87603E-05 -0.25258E-04 584 0.208E-02 0.651E-02
DAV: 16 -0.209998844523E+02 0.12081E-04 -0.85548E-05 371 0.199E-02 0.380E-02
DAV: 17 -0.209998823788E+02 0.20735E-05 -0.46060E-05 299 0.124E-02
90 F= -.20999882E+02 E0= -.20804810E+02 d E =-.438006E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.209526801763E+02 0.47204E-01 -0.78238E+00 376 0.115E+01 0.362E-01
DAV: 2 -0.210184382804E+02 -0.65758E-01 -0.28413E-01 461 0.130E+00 0.563E+00
DAV: 3 -0.209737382214E+02 0.44700E-01 -0.19285E-01 624 0.509E-01 0.299E+00
DAV: 4 -0.209813411490E+02 -0.76029E-02 -0.97323E-02 623 0.349E-01 0.343E+00
DAV: 5 -0.209700523533E+02 0.11289E-01 -0.70104E-02 640 0.285E-01 0.211E+00
DAV: 6 -0.209764133808E+02 -0.63610E-02 -0.58211E-02 651 0.284E-01 0.280E+00
DAV: 7 -0.209666099686E+02 0.98034E-02 -0.41965E-02 688 0.245E-01 0.717E-01
DAV: 8 -0.209709804137E+02 -0.43704E-02 -0.20147E-02 605 0.190E-01 0.205E+00
DAV: 9 -0.209660284336E+02 0.49520E-02 -0.15711E-02 640 0.152E-01 0.535E-01
DAV: 10 -0.209669622765E+02 -0.93384E-03 -0.38750E-03 688 0.106E-01 0.185E-01
DAV: 11 -0.209672143379E+02 -0.25206E-03 -0.23337E-03 674 0.718E-02 0.252E-01
DAV: 12 -0.209672119726E+02 0.23653E-05 -0.21239E-03 656 0.593E-02 0.227E-01
DAV: 13 -0.209669580060E+02 0.25397E-03 -0.10606E-03 643 0.542E-02 0.878E-02
DAV: 14 -0.209670289937E+02 -0.70988E-04 -0.72067E-04 688 0.333E-02 0.874E-02
DAV: 15 -0.209670240833E+02 0.49104E-05 -0.41157E-04 680 0.347E-02 0.755E-02
DAV: 16 -0.209670262459E+02 -0.21626E-05 -0.31045E-04 616 0.251E-02 0.585E-02
DAV: 17 -0.209670427819E+02 -0.16536E-04 -0.13642E-04 497 0.225E-02 0.635E-02
DAV: 18 -0.209670202654E+02 0.22516E-04 -0.45719E-05 266 0.150E-02 0.190E-02
DAV: 19 -0.209670263794E+02 -0.61140E-05 -0.30376E-05 288 0.936E-03
91 F= -.20967026E+02 E0= -.20770860E+02 d E =0.328560E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.209596683610E+02 0.73519E-02 -0.49584E+00 376 0.924E+00 0.323E-01
DAV: 2 -0.210440596971E+02 -0.84391E-01 -0.28649E-01 424 0.101E+00 0.769E+00
DAV: 3 -0.209558307466E+02 0.88229E-01 -0.22546E-01 466 0.475E-01 0.128E+00
DAV: 4 -0.209816149232E+02 -0.25784E-01 -0.60784E-02 617 0.311E-01 0.361E+00
DAV: 5 -0.209671587773E+02 0.14456E-01 -0.62740E-02 688 0.270E-01 0.166E+00
DAV: 6 -0.209713901912E+02 -0.42314E-02 -0.27999E-02 656 0.218E-01 0.181E+00
DAV: 7 -0.209681939738E+02 0.31962E-02 -0.21150E-02 672 0.210E-01 0.122E+00
DAV: 8 -0.209698062097E+02 -0.16122E-02 -0.19084E-02 605 0.168E-01 0.171E+00
DAV: 9 -0.209658756881E+02 0.39305E-02 -0.11066E-02 688 0.143E-01 0.213E-01
DAV: 10 -0.209669974159E+02 -0.11217E-02 -0.28668E-03 688 0.906E-02 0.234E-01
DAV: 11 -0.209668835005E+02 0.11392E-03 -0.19103E-03 642 0.667E-02 0.189E-01
DAV: 12 -0.209667870597E+02 0.96441E-04 -0.11882E-03 688 0.449E-02 0.138E-01
DAV: 13 -0.209668196780E+02 -0.32618E-04 -0.87732E-04 642 0.380E-02 0.146E-01
DAV: 14 -0.209667800939E+02 0.39584E-04 -0.51238E-04 624 0.328E-02 0.103E-01
DAV: 15 -0.209667505410E+02 0.29553E-04 -0.22592E-04 624 0.267E-02 0.506E-02
DAV: 16 -0.209667651832E+02 -0.14642E-04 -0.13517E-04 544 0.176E-02 0.639E-02
DAV: 17 -0.209667638073E+02 0.13759E-05 -0.12366E-04 456 0.151E-02 0.445E-02
DAV: 18 -0.209667551652E+02 0.86421E-05 -0.34174E-05 283 0.131E-02
92 F= -.20966755E+02 E0= -.20770847E+02 d E =0.271214E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.209310218199E+02 0.35742E-01 -0.77614E+00 376 0.115E+01 0.410E-01
DAV: 2 -0.210828316739E+02 -0.15181E+00 -0.46400E-01 493 0.140E+00 0.968E+00
DAV: 3 -0.209392708411E+02 0.14356E+00 -0.36068E-01 496 0.638E-01 0.263E+00
DAV: 4 -0.209595784613E+02 -0.20308E-01 -0.93984E-02 621 0.373E-01 0.329E+00
DAV: 5 -0.209491280977E+02 0.10450E-01 -0.72009E-02 688 0.302E-01 0.207E+00
DAV: 6 -0.209582084682E+02 -0.90804E-02 -0.79236E-02 605 0.282E-01 0.331E+00
DAV: 7 -0.209439763012E+02 0.14232E-01 -0.56119E-02 688 0.261E-01 0.121E+00
DAV: 8 -0.209524741576E+02 -0.84979E-02 -0.31552E-02 549 0.224E-01 0.290E+00
DAV: 9 -0.209422623401E+02 0.10212E-01 -0.25445E-02 656 0.189E-01 0.351E-01
DAV: 10 -0.209447378277E+02 -0.24755E-02 -0.41035E-03 688 0.120E-01 0.220E-01
DAV: 11 -0.209450216724E+02 -0.28384E-03 -0.26484E-03 681 0.756E-02 0.277E-01
DAV: 12 -0.209447845567E+02 0.23712E-03 -0.19766E-03 688 0.614E-02 0.184E-01
DAV: 13 -0.209446728006E+02 0.11176E-03 -0.85749E-04 680 0.462E-02 0.103E-01
DAV: 14 -0.209447247255E+02 -0.51925E-04 -0.43281E-04 640 0.316E-02 0.118E-01
DAV: 15 -0.209447199179E+02 0.48076E-05 -0.33156E-04 664 0.284E-02 0.723E-02
DAV: 16 -0.209447233983E+02 -0.34803E-05 -0.25556E-04 656 0.246E-02 0.610E-02
DAV: 17 -0.209447333864E+02 -0.99881E-05 -0.14395E-04 528 0.228E-02 0.573E-02
DAV: 18 -0.209447192609E+02 0.14126E-04 -0.59672E-05 378 0.173E-02 0.258E-02
DAV: 19 -0.209447216016E+02 -0.23407E-05 -0.17828E-05 251 0.109E-02
93 F= -.20944722E+02 E0= -.20748276E+02 d E =0.220336E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.209450767114E+02 -0.35745E-03 -0.79186E-02 376 0.116E+00 0.498E-02
DAV: 2 -0.209467220659E+02 -0.16454E-02 -0.50829E-03 552 0.143E-01 0.103E+00
DAV: 3 -0.209451545780E+02 0.15675E-02 -0.51528E-03 448 0.938E-02 0.483E-01
DAV: 4 -0.209454789104E+02 -0.32433E-03 -0.19793E-03 592 0.694E-02 0.486E-01
DAV: 5 -0.209451994066E+02 0.27950E-03 -0.10268E-03 532 0.493E-02 0.207E-01
DAV: 6 -0.209453463563E+02 -0.14695E-03 -0.67380E-04 600 0.373E-02 0.303E-01
DAV: 7 -0.209452477249E+02 0.98631E-04 -0.55833E-04 609 0.314E-02 0.113E-01
DAV: 8 -0.209453149305E+02 -0.67206E-04 -0.46344E-04 528 0.275E-02 0.288E-01
DAV: 9 -0.209452086692E+02 0.10626E-03 -0.30122E-04 357 0.246E-02 0.685E-02
DAV: 10 -0.209452247931E+02 -0.16124E-04 -0.62128E-05 264 0.161E-02 0.208E-02
DAV: 11 -0.209452309917E+02 -0.61985E-05 -0.27912E-05 202 0.965E-03
94 F= -.20945231E+02 E0= -.20748778E+02 d E =-.509390E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.209415744306E+02 0.36504E-02 -0.13491E-01 376 0.153E+00 0.494E-02
DAV: 2 -0.209429653200E+02 -0.13909E-02 -0.51034E-03 408 0.168E-01 0.895E-01
DAV: 3 -0.209417022677E+02 0.12631E-02 -0.41922E-03 496 0.792E-02 0.382E-01
DAV: 4 -0.209419370731E+02 -0.23481E-03 -0.13001E-03 540 0.597E-02 0.363E-01
DAV: 5 -0.209417703559E+02 0.16672E-03 -0.67259E-04 616 0.404E-02 0.178E-01
DAV: 6 -0.209419833309E+02 -0.21297E-03 -0.81538E-04 619 0.359E-02 0.447E-01
DAV: 7 -0.209417363142E+02 0.24702E-03 -0.79111E-04 553 0.372E-02 0.112E-01
DAV: 8 -0.209417702455E+02 -0.33931E-04 -0.15291E-04 348 0.268E-02 0.518E-02
DAV: 9 -0.209417912492E+02 -0.21004E-04 -0.10332E-04 224 0.157E-02 0.167E-01
DAV: 10 -0.209417579900E+02 0.33259E-04 -0.88312E-05 195 0.136E-02 0.375E-02
DAV: 11 -0.209417704035E+02 -0.12413E-04 -0.44538E-05 260 0.970E-03 0.283E-02
DAV: 12 -0.209417702998E+02 0.10374E-06 -0.35637E-05 188 0.820E-03
95 F= -.20941770E+02 E0= -.20745195E+02 d E =0.346069E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.209171907953E+02 0.24580E-01 -0.22957E+00 376 0.626E+00 0.203E-01
DAV: 2 -0.209437024632E+02 -0.26512E-01 -0.86837E-02 428 0.692E-01 0.407E+00
DAV: 3 -0.209203265286E+02 0.23376E-01 -0.79250E-02 640 0.322E-01 0.174E+00
DAV: 4 -0.209252484490E+02 -0.49219E-02 -0.31740E-02 590 0.223E-01 0.196E+00
DAV: 5 -0.209196714558E+02 0.55770E-02 -0.18281E-02 688 0.179E-01 0.646E-01
DAV: 6 -0.209235652286E+02 -0.38938E-02 -0.14021E-02 672 0.141E-01 0.166E+00
DAV: 7 -0.209201643354E+02 0.34009E-02 -0.12280E-02 616 0.141E-01 0.514E-01
DAV: 8 -0.209220106189E+02 -0.18463E-02 -0.77101E-03 646 0.115E-01 0.130E+00
DAV: 9 -0.209198153881E+02 0.21952E-02 -0.49686E-03 600 0.100E-01 0.213E-01
DAV: 10 -0.209204543923E+02 -0.63900E-03 -0.14855E-03 688 0.645E-02 0.126E-01
DAV: 11 -0.209205704926E+02 -0.11610E-03 -0.11516E-03 681 0.481E-02 0.169E-01
DAV: 12 -0.209204536523E+02 0.11684E-03 -0.96752E-04 648 0.408E-02 0.112E-01
DAV: 13 -0.209204092361E+02 0.44416E-04 -0.38775E-04 641 0.304E-02 0.651E-02
DAV: 14 -0.209204220103E+02 -0.12774E-04 -0.18676E-04 624 0.206E-02 0.581E-02
DAV: 15 -0.209204344334E+02 -0.12423E-04 -0.14010E-04 368 0.185E-02 0.715E-02
DAV: 16 -0.209204122179E+02 0.22216E-04 -0.10638E-04 392 0.160E-02 0.342E-02
DAV: 17 -0.209204151331E+02 -0.29152E-05 -0.34266E-05 290 0.118E-02
96 F= -.20920415E+02 E0= -.20723676E+02 d E =0.213552E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.208977942418E+02 0.22618E-01 -0.21897E+00 376 0.616E+00 0.238E-01
DAV: 2 -0.209330480266E+02 -0.35254E-01 -0.11014E-01 451 0.732E-01 0.446E+00
DAV: 3 -0.209030027478E+02 0.30045E-01 -0.83682E-02 636 0.384E-01 0.240E+00
DAV: 4 -0.209071641880E+02 -0.41614E-02 -0.40726E-02 651 0.247E-01 0.229E+00
DAV: 5 -0.208998680263E+02 0.72962E-02 -0.18527E-02 640 0.210E-01 0.541E-01
DAV: 6 -0.209043230528E+02 -0.44550E-02 -0.15739E-02 688 0.149E-01 0.169E+00
DAV: 7 -0.209010813571E+02 0.32417E-02 -0.15173E-02 589 0.145E-01 0.740E-01
DAV: 8 -0.209010353200E+02 0.46037E-04 -0.42264E-03 665 0.112E-01 0.478E-01
DAV: 9 -0.209011350286E+02 -0.99709E-04 -0.26781E-03 557 0.653E-02 0.541E-01
DAV: 10 -0.209008534025E+02 0.28163E-03 -0.16855E-03 688 0.564E-02 0.122E-01
DAV: 11 -0.209009837514E+02 -0.13035E-03 -0.65036E-04 628 0.421E-02 0.142E-01
DAV: 12 -0.209009327702E+02 0.50981E-04 -0.54331E-04 688 0.365E-02 0.104E-01
DAV: 13 -0.209008951542E+02 0.37616E-04 -0.33731E-04 642 0.302E-02 0.586E-02
DAV: 14 -0.209009210993E+02 -0.25945E-04 -0.22655E-04 569 0.214E-02 0.833E-02
DAV: 15 -0.209008978150E+02 0.23284E-04 -0.14022E-04 420 0.191E-02 0.399E-02
DAV: 16 -0.209008977576E+02 0.57413E-07 -0.46030E-05 267 0.144E-02
97 F= -.20900898E+02 E0= -.20703887E+02 d E =0.195174E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.208931971591E+02 0.77007E-02 -0.14839E+00 376 0.496E+00 0.246E-01
DAV: 2 -0.209469486695E+02 -0.53752E-01 -0.16601E-01 688 0.628E-01 0.614E+00
DAV: 3 -0.208954704783E+02 0.51478E-01 -0.17818E-01 573 0.427E-01 0.216E+00
DAV: 4 -0.209042665922E+02 -0.87961E-02 -0.59210E-02 658 0.302E-01 0.264E+00
DAV: 5 -0.208943456117E+02 0.99210E-02 -0.26692E-02 656 0.243E-01 0.102E+00
DAV: 6 -0.208978765344E+02 -0.35309E-02 -0.15978E-02 621 0.172E-01 0.149E+00
DAV: 7 -0.208960166441E+02 0.18599E-02 -0.13583E-02 688 0.157E-01 0.507E-01
DAV: 8 -0.208993805342E+02 -0.33639E-02 -0.15159E-02 667 0.135E-01 0.196E+00
DAV: 9 -0.208942279194E+02 0.51526E-02 -0.12324E-02 608 0.143E-01 0.268E-01
DAV: 10 -0.208955139106E+02 -0.12860E-02 -0.19918E-03 688 0.892E-02 0.139E-01
DAV: 11 -0.208956175706E+02 -0.10366E-03 -0.10542E-03 648 0.527E-02 0.159E-01
DAV: 12 -0.208956359832E+02 -0.18413E-04 -0.94266E-04 688 0.397E-02 0.141E-01
DAV: 13 -0.208955316159E+02 0.10437E-03 -0.45850E-04 648 0.349E-02 0.756E-02
DAV: 14 -0.208955534200E+02 -0.21804E-04 -0.32815E-04 656 0.241E-02 0.669E-02
DAV: 15 -0.208955559213E+02 -0.25014E-05 -0.17282E-04 428 0.220E-02 0.688E-02
DAV: 16 -0.208955360976E+02 0.19824E-04 -0.83319E-05 331 0.156E-02 0.285E-02
DAV: 17 -0.208955499271E+02 -0.13829E-04 -0.74786E-05 360 0.127E-02 0.398E-02
DAV: 18 -0.208955443504E+02 0.55767E-05 -0.19903E-05 209 0.984E-03
98 F= -.20895544E+02 E0= -.20698311E+02 d E =0.535341E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.206028231822E+02 0.29273E+00 -0.85554E+01 376 0.381E+01 0.201E+00
DAV: 2 -0.219424057672E+02 -0.13396E+01 -0.45756E+00 431 0.517E+00 0.156E+01
DAV: 3 -0.210449515299E+02 0.89745E+00 -0.13028E+00 588 0.219E+00 0.160E+01
DAV: 4 -0.210074147506E+02 0.37537E-01 -0.15571E+00 603 0.129E+00 0.133E+01
DAV: 5 -0.208566371152E+02 0.15078E+00 -0.91260E-01 688 0.983E-01 0.569E+00
DAV: 6 -0.210875735038E+02 -0.23094E+00 -0.98945E-01 649 0.105E+00 0.164E+01
DAV: 7 -0.207831699627E+02 0.30440E+00 -0.79061E-01 626 0.898E-01 0.367E+00
DAV: 8 -0.208087697553E+02 -0.25600E-01 -0.15026E-01 688 0.572E-01 0.435E+00
DAV: 9 -0.207992372193E+02 0.95325E-02 -0.85373E-02 555 0.388E-01 0.262E+00
DAV: 10 -0.207990960986E+02 0.14112E-03 -0.69625E-02 688 0.299E-01 0.159E+00
DAV: 11 -0.207952205713E+02 0.38755E-02 -0.50035E-02 644 0.302E-01 0.143E+00
DAV: 12 -0.207965027357E+02 -0.12822E-02 -0.21447E-02 688 0.235E-01 0.146E+00
DAV: 13 -0.207934230831E+02 0.30797E-02 -0.12761E-02 652 0.174E-01 0.876E-01
DAV: 14 -0.207931642476E+02 0.25884E-03 -0.85496E-03 720 0.121E-01 0.519E-01
DAV: 15 -0.207937663836E+02 -0.60214E-03 -0.61493E-03 659 0.110E-01 0.623E-01
DAV: 16 -0.207939827061E+02 -0.21632E-03 -0.53768E-03 688 0.106E-01 0.649E-01
DAV: 17 -0.207933164684E+02 0.66624E-03 -0.28430E-03 659 0.878E-02 0.456E-01
DAV: 18 -0.207933082852E+02 0.81832E-05 -0.12729E-03 688 0.585E-02 0.302E-01
DAV: 19 -0.207932790823E+02 0.29203E-04 -0.72942E-04 674 0.468E-02 0.103E-01
DAV: 20 -0.207933021736E+02 -0.23091E-04 -0.32170E-04 632 0.373E-02 0.613E-02
DAV: 21 -0.207933442776E+02 -0.42104E-04 -0.14804E-04 571 0.264E-02 0.105E-01
DAV: 22 -0.207933145390E+02 0.29739E-04 -0.67960E-05 384 0.183E-02 0.889E-02
DAV: 23 -0.207933168433E+02 -0.23043E-05 -0.48716E-05 352 0.118E-02
99 F= -.20793317E+02 E0= -.20594680E+02 d E =0.102228E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.207780580279E+02 0.15257E-01 -0.77775E+00 408 0.120E+01 0.511E-01
DAV: 2 -0.210819784856E+02 -0.30392E+00 -0.91462E-01 548 0.158E+00 0.140E+01
DAV: 3 -0.207764431345E+02 0.30554E+00 -0.52028E-01 530 0.733E-01 0.234E+00
DAV: 4 -0.208114665015E+02 -0.35023E-01 -0.13677E-01 571 0.513E-01 0.413E+00
DAV: 5 -0.207952558113E+02 0.16211E-01 -0.94313E-02 593 0.388E-01 0.226E+00
DAV: 6 -0.208156919899E+02 -0.20436E-01 -0.85802E-02 681 0.348E-01 0.419E+00
DAV: 7 -0.207949923188E+02 0.20700E-01 -0.88889E-02 688 0.349E-01 0.201E+00
DAV: 8 -0.208050484828E+02 -0.10056E-01 -0.59461E-02 653 0.295E-01 0.344E+00
DAV: 9 -0.207894034688E+02 0.15645E-01 -0.41476E-02 616 0.250E-01 0.414E-01
DAV: 10 -0.207927673037E+02 -0.33638E-02 -0.71278E-03 688 0.154E-01 0.389E-01
DAV: 11 -0.207928744143E+02 -0.10711E-03 -0.43309E-03 681 0.102E-01 0.325E-01
DAV: 12 -0.207925741064E+02 0.30031E-03 -0.22962E-03 688 0.766E-02 0.196E-01
DAV: 13 -0.207925650751E+02 0.90312E-05 -0.14674E-03 688 0.537E-02 0.159E-01
DAV: 14 -0.207925314618E+02 0.33613E-04 -0.67403E-04 674 0.439E-02 0.121E-01
DAV: 15 -0.207925117314E+02 0.19730E-04 -0.42230E-04 649 0.307E-02 0.964E-02
DAV: 16 -0.207925298891E+02 -0.18158E-04 -0.27674E-04 641 0.253E-02 0.884E-02
DAV: 17 -0.207925446739E+02 -0.14785E-04 -0.26032E-04 624 0.236E-02 0.791E-02
DAV: 18 -0.207925163381E+02 0.28336E-04 -0.14549E-04 587 0.207E-02 0.389E-02
DAV: 19 -0.207925191008E+02 -0.27627E-05 -0.57630E-05 432 0.141E-02
100 F= -.20792519E+02 E0= -.20593019E+02 d E =0.797742E-03