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-0.80082E-05 -0.25535E-05 72 0.567E-03 64 F= -.91113745E+02 E0= -.90933817E+02 d E =0.316107E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.904754612567E+02 0.63828E+00 -0.53920E+01 153 0.201E+01 0.161E+00 DAV: 2 -0.915236889112E+02 -0.10482E+01 -0.42523E+00 162 0.252E+00 0.178E+01 DAV: 3 -0.906471171392E+02 0.87657E+00 -0.28890E+00 153 0.120E+00 0.119E+01 DAV: 4 -0.907021770147E+02 -0.55060E-01 -0.14138E+00 171 0.805E-01 0.111E+01 DAV: 5 -0.906172260820E+02 0.84951E-01 -0.10400E+00 171 0.679E-01 0.862E+00 DAV: 6 -0.906048737991E+02 0.12352E-01 -0.10084E+00 171 0.597E-01 0.922E+00 DAV: 7 -0.906181418337E+02 -0.13268E-01 -0.77151E-01 171 0.566E-01 0.768E+00 DAV: 8 -0.906109009879E+02 0.72408E-02 -0.70304E-01 180 0.533E-01 0.737E+00 DAV: 9 -0.905412509930E+02 0.69650E-01 -0.60357E-01 162 0.402E-01 0.332E+00 DAV: 10 -0.905514498147E+02 -0.10199E-01 -0.17260E-01 171 0.312E-01 0.280E+00 DAV: 11 -0.905446088331E+02 0.68410E-02 -0.69626E-02 171 0.239E-01 0.179E+00 DAV: 12 -0.905454788098E+02 -0.86998E-03 -0.51802E-02 144 0.167E-01 0.154E+00 DAV: 13 -0.905449362217E+02 0.54259E-03 -0.37941E-02 180 0.126E-01 0.114E+00 DAV: 14 -0.905454085433E+02 -0.47232E-03 -0.20545E-02 153 0.122E-01 0.102E+00 DAV: 15 -0.905449552809E+02 0.45326E-03 -0.13270E-02 180 0.107E-01 0.846E-01 DAV: 16 -0.905457967675E+02 -0.84149E-03 -0.11779E-02 180 0.105E-01 0.873E-01 DAV: 17 -0.905444118679E+02 0.13849E-02 -0.56397E-03 162 0.101E-01 0.442E-01 DAV: 18 -0.905445966318E+02 -0.18476E-03 -0.29341E-03 171 0.606E-02 0.404E-01 DAV: 19 -0.905444183727E+02 0.17826E-03 -0.19452E-03 144 0.492E-02 0.244E-01 DAV: 20 -0.905448157690E+02 -0.39740E-03 -0.18616E-03 153 0.412E-02 0.345E-01 DAV: 21 -0.905443198713E+02 0.49590E-03 -0.15380E-03 144 0.364E-02 0.100E-01 DAV: 22 -0.905445152348E+02 -0.19536E-03 -0.20510E-04 126 0.253E-02 0.972E-02 DAV: 23 -0.905445355501E+02 -0.20315E-04 -0.17437E-04 90 0.121E-02 0.924E-02 DAV: 24 -0.905445361171E+02 -0.56701E-06 -0.62492E-05 81 0.120E-02 65 F= -.90544536E+02 E0= -.90361385E+02 d E =0.569209E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.904481230934E+02 0.96412E-01 -0.32713E+00 162 0.506E+00 0.389E-01 DAV: 2 -0.905647904123E+02 -0.11667E+00 -0.31570E-01 162 0.596E-01 0.733E+00 DAV: 3 -0.904485402315E+02 0.11625E+00 -0.40247E-01 153 0.402E-01 0.409E+00 DAV: 4 -0.904476730356E+02 0.86720E-03 -0.10547E-01 180 0.263E-01 0.208E+00 DAV: 5 -0.904564664620E+02 -0.87934E-02 -0.49771E-02 162 0.181E-01 0.212E+00 DAV: 6 -0.904557967004E+02 0.66976E-03 -0.53072E-02 180 0.179E-01 0.209E+00 DAV: 7 -0.904541498009E+02 0.16469E-02 -0.56084E-02 162 0.168E-01 0.200E+00 DAV: 8 -0.904514658976E+02 0.26839E-02 -0.29008E-02 153 0.139E-01 0.105E+00 DAV: 9 -0.904521749195E+02 -0.70902E-03 -0.10714E-02 153 0.126E-01 0.869E-01 DAV: 10 -0.904518484599E+02 0.32646E-03 -0.10029E-02 162 0.969E-02 0.867E-01 DAV: 11 -0.904506520982E+02 0.11964E-02 -0.47341E-03 162 0.742E-02 0.304E-01 DAV: 12 -0.904515321533E+02 -0.88006E-03 -0.17997E-03 135 0.574E-02 0.379E-01 DAV: 13 -0.904513905817E+02 0.14157E-03 -0.16488E-03 162 0.483E-02 0.271E-01 DAV: 14 -0.904512861687E+02 0.10441E-03 -0.63552E-04 171 0.389E-02 0.172E-01 DAV: 15 -0.904512894158E+02 -0.32471E-05 -0.46090E-04 126 0.249E-02 0.163E-01 DAV: 16 -0.904513041595E+02 -0.14744E-04 -0.27056E-04 135 0.225E-02 0.129E-01 DAV: 17 -0.904513055713E+02 -0.14118E-05 -0.29530E-04 108 0.186E-02 0.987E-02 DAV: 18 -0.904512766561E+02 0.28915E-04 -0.14606E-04 108 0.159E-02 0.620E-02 DAV: 19 -0.904512957651E+02 -0.19109E-04 -0.67151E-05 90 0.116E-02 0.556E-02 DAV: 20 -0.904513018160E+02 -0.60509E-05 -0.61421E-05 72 0.747E-03 66 F= -.90451302E+02 E0= -.90266478E+02 d E =0.932343E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.904458454920E+02 0.54503E-02 -0.23356E+00 162 0.439E+00 0.762E-01 DAV: 2 -0.912798958774E+02 -0.83405E+00 -0.21163E+00 216 0.832E-01 0.197E+01 DAV: 3 -0.904134379528E+02 0.86646E+00 -0.21599E+00 198 0.892E-01 0.799E+00 DAV: 4 -0.904395523181E+02 -0.26114E-01 -0.54849E-01 171 0.550E-01 0.428E+00 DAV: 5 -0.904660469350E+02 -0.26495E-01 -0.23104E-01 171 0.335E-01 0.413E+00 DAV: 6 -0.904542229382E+02 0.11824E-01 -0.14470E-01 189 0.243E-01 0.322E+00 DAV: 7 -0.904596997522E+02 -0.54768E-02 -0.18583E-01 171 0.238E-01 0.360E+00 DAV: 8 -0.904679800685E+02 -0.82803E-02 -0.12124E-01 198 0.279E-01 0.370E+00 DAV: 9 -0.904481082139E+02 0.19872E-01 -0.91636E-02 171 0.275E-01 0.222E+00 DAV: 10 -0.904448322611E+02 0.32760E-02 -0.41659E-02 162 0.177E-01 0.907E-01 DAV: 11 -0.904466209163E+02 -0.17887E-02 -0.93884E-03 162 0.109E-01 0.495E-01 DAV: 12 -0.904487885812E+02 -0.21677E-02 -0.53444E-03 198 0.766E-02 0.839E-01 DAV: 13 -0.904462105314E+02 0.25780E-02 -0.62748E-03 153 0.885E-02 0.324E-01 DAV: 14 -0.904471894234E+02 -0.97889E-03 -0.14367E-03 153 0.686E-02 0.308E-01 DAV: 15 -0.904469741173E+02 0.21531E-03 -0.90741E-04 162 0.382E-02 0.121E-01 DAV: 16 -0.904471911052E+02 -0.21699E-03 -0.32942E-04 153 0.268E-02 0.199E-01 DAV: 17 -0.904470975629E+02 0.93542E-04 -0.44137E-04 117 0.187E-02 0.152E-01 DAV: 18 -0.904470484432E+02 0.49120E-04 -0.18862E-04 99 0.166E-02 0.496E-02 DAV: 19 -0.904470914767E+02 -0.43033E-04 -0.88957E-05 99 0.112E-02 0.729E-02 DAV: 20 -0.904470773421E+02 0.14135E-04 -0.86461E-05 72 0.794E-03 0.357E-02 DAV: 21 -0.904470798749E+02 -0.25328E-05 -0.30624E-05 72 0.669E-03 67 F= -.90447080E+02 E0= -.90262816E+02 d E =0.422194E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.904461560775E+02 0.92126E-03 -0.14641E-03 144 0.105E-01 0.292E-02 DAV: 2 -0.904469271921E+02 -0.77111E-03 -0.25385E-03 189 0.283E-02 0.605E-01 DAV: 3 -0.904460977967E+02 0.82940E-03 -0.41399E-03 144 0.481E-02 0.558E-01 DAV: 4 -0.904457740102E+02 0.32379E-03 -0.14053E-03 135 0.462E-02 0.781E-02 DAV: 5 -0.904461765189E+02 -0.40251E-03 -0.20749E-04 117 0.291E-02 0.145E-01 DAV: 6 -0.904461761813E+02 0.33755E-06 -0.15521E-04 81 0.123E-02 0.138E-01 DAV: 7 -0.904461660927E+02 0.10089E-04 -0.12998E-04 72 0.119E-02 0.113E-01 DAV: 8 -0.904461609223E+02 0.51704E-05 -0.11580E-04 72 0.118E-02 0.720E-02 DAV: 9 -0.904461646038E+02 -0.36815E-05 -0.44539E-05 72 0.102E-02 68 F= -.90446165E+02 E0= -.90261848E+02 d E =0.915271E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.904377781009E+02 0.83828E-02 -0.15015E-01 162 0.115E+00 0.676E-01 DAV: 2 -0.910367670406E+02 -0.59899E+00 -0.14700E+00 216 0.433E-01 0.129E+01 DAV: 3 -0.904056605272E+02 0.63111E+00 -0.21013E+00 198 0.697E-01 0.502E+00 DAV: 4 -0.904348887692E+02 -0.29228E-01 -0.19644E-01 162 0.396E-01 0.288E+00 DAV: 5 -0.904378443693E+02 -0.29556E-02 -0.63927E-02 180 0.220E-01 0.180E+00 DAV: 6 -0.904390358024E+02 -0.11914E-02 -0.38750E-02 171 0.147E-01 0.165E+00 DAV: 7 -0.904473978856E+02 -0.83621E-02 -0.77575E-02 180 0.179E-01 0.315E+00 DAV: 8 -0.904362903306E+02 0.11108E-01 -0.63588E-02 162 0.194E-01 0.184E+00 DAV: 9 -0.904373607642E+02 -0.10704E-02 -0.32904E-02 153 0.165E-01 0.124E+00 DAV: 10 -0.904371364654E+02 0.22430E-03 -0.12335E-02 153 0.126E-01 0.100E+00 DAV: 11 -0.904355737222E+02 0.15627E-02 -0.84340E-03 153 0.878E-02 0.308E-01 DAV: 12 -0.904366006088E+02 -0.10269E-02 -0.23850E-03 144 0.552E-02 0.297E-01 DAV: 13 -0.904368162131E+02 -0.21560E-03 -0.24314E-03 180 0.471E-02 0.418E-01 DAV: 14 -0.904361989474E+02 0.61727E-03 -0.16696E-03 153 0.485E-02 0.150E-01 DAV: 15 -0.904364054087E+02 -0.20646E-03 -0.39353E-04 153 0.309E-02 0.158E-01 DAV: 16 -0.904363292102E+02 0.76199E-04 -0.18052E-04 108 0.221E-02 0.470E-02 DAV: 17 -0.904363751086E+02 -0.45898E-04 -0.10778E-04 90 0.121E-02 0.728E-02 DAV: 18 -0.904363800729E+02 -0.49644E-05 -0.97196E-05 72 0.883E-03 69 F= -.90436380E+02 E0= -.90252093E+02 d E =0.978453E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.903580543165E+02 0.78321E-01 -0.19073E+00 144 0.397E+00 0.114E+00 DAV: 2 -0.913393742792E+02 -0.98132E+00 -0.23500E+00 189 0.818E-01 0.135E+01 DAV: 3 -0.904610107503E+02 0.87836E+00 -0.20237E+00 198 0.861E-01 0.638E+00 DAV: 4 -0.904621728851E+02 -0.11621E-02 -0.94687E-01 162 0.574E-01 0.104E+01 DAV: 5 -0.903250156960E+02 0.13716E+00 -0.51295E-01 153 0.387E-01 0.206E+00 DAV: 6 -0.903560471657E+02 -0.31031E-01 -0.77674E-02 171 0.264E-01 0.158E+00 DAV: 7 -0.903760552243E+02 -0.20008E-01 -0.10958E-01 198 0.203E-01 0.366E+00 DAV: 8 -0.903622630185E+02 0.13792E-01 -0.16610E-01 171 0.207E-01 0.261E+00 DAV: 9 -0.903656784498E+02 -0.34154E-02 -0.77399E-02 198 0.216E-01 0.334E+00 DAV: 10 -0.903524759311E+02 0.13203E-01 -0.71023E-02 180 0.155E-01 0.101E+00 DAV: 11 -0.903556167583E+02 -0.31408E-02 -0.92589E-03 171 0.135E-01 0.649E-01 DAV: 12 -0.903558675654E+02 -0.25081E-03 -0.42732E-03 162 0.945E-02 0.765E-01 DAV: 13 -0.903568725319E+02 -0.10050E-02 -0.10423E-02 153 0.904E-02 0.104E+00 DAV: 14 -0.903545316101E+02 0.23409E-02 -0.11991E-02 153 0.830E-02 0.384E-01 DAV: 15 -0.903553876206E+02 -0.85601E-03 -0.23111E-03 162 0.603E-02 0.344E-01 DAV: 16 -0.903551159563E+02 0.27166E-03 -0.85489E-04 162 0.429E-02 0.162E-01 DAV: 17 -0.903552162464E+02 -0.10029E-03 -0.64646E-04 126 0.278E-02 0.155E-01 DAV: 18 -0.903552067484E+02 0.94981E-05 -0.50949E-04 144 0.203E-02 0.115E-01 DAV: 19 -0.903552237380E+02 -0.16990E-04 -0.39000E-04 108 0.165E-02 0.157E-01 DAV: 20 -0.903551514135E+02 0.72325E-04 -0.30104E-04 126 0.172E-02 0.597E-02 DAV: 21 -0.903551832668E+02 -0.31853E-04 -0.39643E-05 90 0.125E-02 0.566E-02 DAV: 22 -0.903551776539E+02 0.56129E-05 -0.27977E-05 72 0.736E-03 70 F= -.90355178E+02 E0= -.90169493E+02 d E =0.812024E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.898446097225E+02 0.51057E+00 -0.51284E+01 144 0.192E+01 0.370E+00 DAV: 2 -0.944143343636E+02 -0.45697E+01 -0.13270E+01 189 0.325E+00 0.203E+01 DAV: 3 -0.934736209635E+02 0.94071E+00 -0.11271E+01 171 0.246E+00 0.323E+01 DAV: 4 -0.906398961549E+02 0.28337E+01 -0.20364E+00 180 0.155E+00 0.128E+01 DAV: 5 -0.911588603518E+02 -0.51896E+00 -0.19457E+00 171 0.135E+00 0.268E+01 DAV: 6 -0.900144185725E+02 0.11444E+01 -0.17679E+00 162 0.106E+00 0.965E+00 DAV: 7 -0.899969643070E+02 0.17454E-01 -0.62814E-01 171 0.773E-01 0.793E+00 DAV: 8 -0.899641673136E+02 0.32797E-01 -0.43687E-01 171 0.516E-01 0.756E+00 DAV: 9 -0.899134556191E+02 0.50712E-01 -0.50080E-01 189 0.430E-01 0.660E+00 DAV: 10 -0.899286992356E+02 -0.15244E-01 -0.48605E-01 189 0.424E-01 0.698E+00 DAV: 11 -0.899549783651E+02 -0.26279E-01 -0.64830E-01 189 0.473E-01 0.590E+00 DAV: 12 -0.899115504271E+02 0.43428E-01 -0.41169E-01 198 0.429E-01 0.393E+00 DAV: 13 -0.898655890042E+02 0.45961E-01 -0.21165E-01 180 0.309E-01 0.175E+00 DAV: 14 -0.898676459027E+02 -0.20569E-02 -0.56779E-02 171 0.197E-01 0.141E+00 DAV: 15 -0.898712172492E+02 -0.35713E-02 -0.29936E-02 162 0.167E-01 0.142E+00 DAV: 16 -0.898684259984E+02 0.27913E-02 -0.21801E-02 180 0.143E-01 0.952E-01 DAV: 17 -0.898721422801E+02 -0.37163E-02 -0.25654E-02 171 0.129E-01 0.151E+00 DAV: 18 -0.898666663845E+02 0.54759E-02 -0.24553E-02 162 0.155E-01 0.107E+00 DAV: 19 -0.898679504774E+02 -0.12841E-02 -0.49539E-03 144 0.106E-01 0.884E-01 DAV: 20 -0.898676201778E+02 0.33030E-03 -0.51644E-03 153 0.620E-02 0.664E-01 DAV: 21 -0.898677899067E+02 -0.16973E-03 -0.53583E-03 162 0.615E-02 0.569E-01 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