N E dE d eps ncg rms rms(c) DAV: 1 0.195674122551E+04 0.19567E+04 -0.16729E+05 3963 0.116E+03 DAV: 2 -0.521205092359E+03 -0.24779E+04 -0.24032E+04 4800 0.290E+02 DAV: 3 -0.718385237292E+03 -0.19718E+03 -0.19567E+03 4668 0.873E+01 DAV: 4 -0.722584207774E+03 -0.41990E+01 -0.41813E+01 4758 0.132E+01 DAV: 5 -0.722698852263E+03 -0.11464E+00 -0.11447E+00 4695 0.204E+00 0.645E+01 DAV: 6 -0.645498791205E+03 0.77200E+02 -0.33778E+02 4488 0.321E+01 0.322E+01 DAV: 7 -0.643525783696E+03 0.19730E+01 -0.53808E+01 5676 0.119E+01 0.175E+01 DAV: 8 -0.641714938698E+03 0.18108E+01 -0.35211E+01 6099 0.773E+00 0.108E+01 DAV: 9 -0.640474100375E+03 0.12408E+01 -0.46188E+00 4569 0.344E+00 0.384E+00 DAV: 10 -0.640454920039E+03 0.19180E-01 -0.11172E+00 4605 0.206E+00 0.155E+00 DAV: 11 -0.640460142535E+03 -0.52225E-02 -0.24850E-01 4614 0.829E-01 0.980E-01 DAV: 12 -0.640499885721E+03 -0.39743E-01 -0.63313E-01 4677 0.571E-01 0.230E+00 DAV: 13 -0.640463265700E+03 0.36620E-01 -0.55879E-01 4569 0.334E-01 0.569E-01 DAV: 14 -0.640466092846E+03 -0.28271E-02 -0.10528E-02 4380 0.211E-01 0.322E-01 DAV: 15 -0.640465978009E+03 0.11484E-03 -0.18644E-02 5064 0.158E-01 0.202E-01 DAV: 16 -0.640466201858E+03 -0.22385E-03 -0.12245E-02 4677 0.848E-02 0.219E-01 DAV: 17 -0.640465877329E+03 0.32453E-03 -0.69456E-03 4659 0.564E-02 0.929E-02 DAV: 18 -0.640465837393E+03 0.39936E-04 -0.97109E-04 4542 0.298E-02 0.246E-02 DAV: 19 -0.640465841132E+03 -0.37387E-05 -0.22627E-04 3966 0.189E-02 0.294E-02 DAV: 20 -0.640465835152E+03 0.59793E-05 -0.54417E-05 2760 0.785E-03 1 F= -.64046584E+03 E0= -.64047297E+03 d E =-.640466E+03 N E dE d eps ncg rms rms(c) DAV: 1 -0.604139733107E+03 0.36326E+02 -0.21943E+03 4188 0.947E+01 0.606E+01 DAV: 2 -0.616750185696E+03 -0.12610E+02 -0.28386E+02 4671 0.242E+01 0.340E+01 DAV: 3 -0.613352594811E+03 0.33976E+01 -0.96868E+01 4704 0.125E+01 0.181E+01 DAV: 4 -0.612315976816E+03 0.10366E+01 -0.22408E+01 4641 0.702E+00 0.848E+00 DAV: 5 -0.611512825155E+03 0.80315E+00 -0.12220E+01 5055 0.493E+00 0.497E+00 DAV: 6 -0.611450269136E+03 0.62556E-01 -0.71463E+00 4425 0.234E+00 0.494E+00 DAV: 7 -0.611286068459E+03 0.16420E+00 -0.13325E+00 4425 0.101E+00 0.226E+00 DAV: 8 -0.611300272279E+03 -0.14204E-01 -0.38960E-01 4605 0.618E-01 0.165E+00 DAV: 9 -0.611287874678E+03 0.12398E-01 -0.29268E-01 4803 0.622E-01 0.591E-01 DAV: 10 -0.611285693886E+03 0.21808E-02 -0.72199E-02 4614 0.264E-01 0.468E-01 DAV: 11 -0.611285140718E+03 0.55317E-03 -0.16255E-02 4596 0.124E-01 0.293E-01 DAV: 12 -0.611284754495E+03 0.38622E-03 -0.20677E-03 4668 0.858E-02 0.801E-02 DAV: 13 -0.611284812441E+03 -0.57946E-04 -0.54743E-04 4587 0.498E-02 0.366E-02 DAV: 14 -0.611284812990E+03 -0.54903E-06 -0.20614E-04 4659 0.247E-02 0.370E-02 DAV: 15 -0.611284816041E+03 -0.30515E-05 -0.13652E-04 3831 0.211E-02 0.241E-02 DAV: 16 -0.611284812000E+03 0.40415E-05 -0.81928E-05 3201 0.122E-02 2 F= -.61128481E+03 E0= -.61127971E+03 d E =0.291810E+02 N E dE d eps ncg rms rms(c) DAV: 1 -0.647522609288E+03 -0.36238E+02 -0.12826E+03 4326 0.725E+01 0.450E+01 DAV: 2 -0.650468609787E+03 -0.29460E+01 -0.17101E+02 4905 0.215E+01 0.294E+01 DAV: 3 -0.646795483418E+03 0.36731E+01 -0.36416E+01 5109 0.897E+00 0.232E+01 DAV: 4 -0.646173913911E+03 0.62157E+00 -0.13377E+01 4578 0.544E+00 0.164E+01 DAV: 5 -0.647230896573E+03 -0.10570E+01 -0.22174E+01 4524 0.445E+00 0.726E+00 DAV: 6 -0.645935616082E+03 0.12953E+01 -0.62961E+00 5712 0.427E+00 0.236E+00 DAV: 7 -0.645875458632E+03 0.60157E-01 -0.15225E+00 4497 0.162E+00 0.120E+00 DAV: 8 -0.645853687765E+03 0.21771E-01 -0.11750E-01 4983 0.800E-01 0.460E-01 DAV: 9 -0.645856340735E+03 -0.26530E-02 -0.87764E-02 4578 0.343E-01 0.504E-01 DAV: 10 -0.645858613243E+03 -0.22725E-02 -0.12118E-01 4542 0.156E-01 0.607E-01 DAV: 11 -0.645853920571E+03 0.46927E-02 -0.45474E-02 4650 0.134E-01 0.811E-02 DAV: 12 -0.645854100897E+03 -0.18033E-03 -0.22886E-03 4587 0.573E-02 0.803E-02 DAV: 13 -0.645854041714E+03 0.59183E-04 -0.15282E-03 4830 0.323E-02 0.419E-02 DAV: 14 -0.645854031860E+03 0.98548E-05 -0.15362E-04 3885 0.169E-02 0.111E-02 DAV: 15 -0.645854035846E+03 -0.39860E-05 -0.41788E-05 2940 0.913E-03 3 F= -.64585404E+03 E0= -.64586505E+03 d E =-.538820E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.646152152370E+03 -0.29812E+00 -0.36782E+00 3960 0.369E+00 0.132E+00 DAV: 2 -0.646160701597E+03 -0.85492E-02 -0.77345E-01 4605 0.100E+00 0.155E+00 DAV: 3 -0.646138921144E+03 0.21780E-01 -0.59831E-01 4542 0.493E-01 0.101E+00 DAV: 4 -0.646130269078E+03 0.86521E-02 -0.12275E-01 5271 0.288E-01 0.393E-01 DAV: 5 -0.646129193442E+03 0.10756E-02 -0.12660E-02 4659 0.150E-01 0.200E-01 DAV: 6 -0.646129123271E+03 0.70171E-04 -0.13443E-03 4713 0.827E-02 0.742E-02 DAV: 7 -0.646129100769E+03 0.22502E-04 -0.36605E-04 4839 0.420E-02 0.294E-02 DAV: 8 -0.646129098552E+03 0.22170E-05 -0.66049E-05 4506 0.176E-02 4 F= -.64612910E+03 E0= -.64614008E+03 d E =-.566326E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.646235363753E+03 -0.10626E+00 -0.35143E+00 3966 0.360E+00 0.131E+00 DAV: 2 -0.646234687003E+03 0.67675E-03 -0.58266E-01 4596 0.967E-01 0.128E+00 DAV: 3 -0.646226830593E+03 0.78564E-02 -0.51386E-01 4560 0.464E-01 0.116E+00 DAV: 4 -0.646214775933E+03 0.12055E-01 -0.14967E-01 5388 0.294E-01 0.362E-01 DAV: 5 -0.646214137077E+03 0.63886E-03 -0.10517E-02 4614 0.146E-01 0.182E-01 DAV: 6 -0.646214068814E+03 0.68263E-04 -0.12681E-03 4884 0.800E-02 0.744E-02 DAV: 7 -0.646214051139E+03 0.17675E-04 -0.33819E-04 4848 0.405E-02 0.281E-02 DAV: 8 -0.646214048977E+03 0.21619E-05 -0.60002E-05 4524 0.179E-02 5 F= -.64621405E+03 E0= -.64622479E+03 d E =-.574821E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.643247858415E+03 0.29662E+01 -0.12321E+03 3936 0.724E+01 0.112E+01 DAV: 2 -0.651456204545E+03 -0.82083E+01 -0.90580E+01 4554 0.164E+01 0.744E+00 DAV: 3 -0.650738016964E+03 0.71819E+00 -0.29792E+00 5118 0.424E+00 0.462E+00 DAV: 4 -0.650652814513E+03 0.85202E-01 -0.11662E+00 4578 0.199E+00 0.256E+00 DAV: 5 -0.650625932952E+03 0.26882E-01 -0.31362E-01 4659 0.876E-01 0.164E+00 DAV: 6 -0.650622965755E+03 0.29672E-02 -0.26307E-01 4623 0.700E-01 0.992E-01 DAV: 7 -0.650609568764E+03 0.13397E-01 -0.92868E-02 5694 0.464E-01 0.267E-01 DAV: 8 -0.650609163029E+03 0.40574E-03 -0.96993E-03 4587 0.192E-01 0.142E-01 DAV: 9 -0.650609062975E+03 0.10005E-03 -0.95807E-04 4704 0.751E-02 0.635E-02 DAV: 10 -0.650609036169E+03 0.26805E-04 -0.20486E-04 5199 0.502E-02 0.296E-02 DAV: 11 -0.650609033403E+03 0.27658E-05 -0.10864E-04 5064 0.316E-02 0.155E-02 DAV: 12 -0.650609031050E+03 0.23537E-05 -0.28409E-05 3210 0.142E-02 6 F= -.65060903E+03 E0= -.65062491E+03 d E =-.439498E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.650496716475E+03 0.11232E+00 -0.10583E+02 4008 0.205E+01 0.217E+00 DAV: 2 -0.650724937471E+03 -0.22822E+00 -0.30559E+00 4596 0.274E+00 0.138E+00 DAV: 3 -0.650704710601E+03 0.20227E-01 -0.25833E-01 4668 0.681E-01 0.806E-01 DAV: 4 -0.650696117515E+03 0.85931E-02 -0.62063E-02 4632 0.371E-01 0.462E-01 DAV: 5 -0.650694382240E+03 0.17353E-02 -0.16625E-02 4614 0.246E-01 0.154E-01 DAV: 6 -0.650694517059E+03 -0.13482E-03 -0.33182E-03 4596 0.117E-01 0.996E-02 DAV: 7 -0.650694520667E+03 -0.36080E-05 -0.39208E-04 4974 0.513E-02 0.533E-02 DAV: 8 -0.650694495497E+03 0.25170E-04 -0.91584E-05 4830 0.246E-02 0.248E-02 DAV: 9 -0.650694488791E+03 0.67061E-05 -0.46832E-05 4434 0.199E-02 7 F= -.65069449E+03 E0= -.65071003E+03 d E =-.448044E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.648558702155E+03 0.21358E+01 -0.94845E+02 3936 0.626E+01 0.108E+01 DAV: 2 -0.652798391955E+03 -0.42397E+01 -0.47994E+01 4596 0.119E+01 0.556E+00