N E dE d eps ncg rms rms(c)
DAV: 1 0.214575352753E+04 0.21458E+04 -0.92814E+04 23304 0.109E+03
DAV: 2 -0.118454432253E+03 -0.22642E+04 -0.21695E+04 32520 0.258E+02
DAV: 3 -0.579364854073E+03 -0.46091E+03 -0.45820E+03 27288 0.121E+02
DAV: 4 -0.596726888811E+03 -0.17362E+02 -0.17238E+02 26700 0.291E+01
DAV: 5 -0.597274422283E+03 -0.54753E+00 -0.54635E+00 29736 0.457E+00 0.380E+01
DAV: 6 -0.559866461532E+03 0.37408E+02 -0.71346E+01 26412 0.190E+01 0.209E+01
DAV: 7 -0.552060944666E+03 0.78055E+01 -0.24953E+01 28332 0.127E+01 0.107E+01
DAV: 8 -0.550268500432E+03 0.17924E+01 -0.53422E+00 26856 0.577E+00 0.448E+00
DAV: 9 -0.550046169814E+03 0.22233E+00 -0.13255E+00 27456 0.263E+00 0.192E+00
DAV: 10 -0.549979153801E+03 0.67016E-01 -0.47798E-01 30684 0.153E+00 0.892E-01
DAV: 11 -0.549952859421E+03 0.26294E-01 -0.72029E-02 24792 0.762E-01 0.559E-01
DAV: 12 -0.549944802974E+03 0.80564E-02 -0.35816E-02 26364 0.521E-01 0.456E-01
DAV: 13 -0.549943338663E+03 0.14643E-02 -0.17510E-02 27084 0.392E-01 0.272E-01
DAV: 14 -0.549950052122E+03 -0.67135E-02 -0.13746E-02 23652 0.339E-01 0.158E-01
DAV: 15 -0.549957739711E+03 -0.76876E-02 -0.74835E-03 24864 0.207E-01 0.137E-01
DAV: 16 -0.549971082018E+03 -0.13342E-01 -0.28089E-03 26340 0.141E-01 0.714E-02
DAV: 17 -0.549977852108E+03 -0.67701E-02 -0.69645E-04 26484 0.718E-02 0.483E-02
DAV: 18 -0.549982902907E+03 -0.50508E-02 -0.49804E-04 27408 0.553E-02 0.243E-02
DAV: 19 -0.549986604012E+03 -0.37011E-02 -0.30420E-04 25944 0.369E-02 0.159E-02
DAV: 20 -0.549988067503E+03 -0.14635E-02 -0.11893E-04 24768 0.224E-02 0.790E-03
DAV: 21 -0.549988780970E+03 -0.71347E-03 -0.51743E-05 22008 0.134E-02 0.528E-03
DAV: 22 -0.549989090027E+03 -0.30906E-03 -0.23636E-05 21408 0.959E-03 0.369E-03
DAV: 23 -0.549989189623E+03 -0.99595E-04 -0.52896E-06 18732 0.548E-03 0.201E-03
DAV: 24 -0.549989265053E+03 -0.75430E-04 -0.79319E-06 17772 0.528E-03 0.234E-03
DAV: 25 -0.549989296020E+03 -0.30968E-04 -0.33210E-06 18684 0.343E-03 0.117E-03
DAV: 26 -0.549989310744E+03 -0.14723E-04 -0.20534E-06 18624 0.258E-03 0.856E-04
DAV: 27 -0.549989317454E+03 -0.67108E-05 -0.83306E-07 17088 0.167E-03
1 F= -.54998932E+03 E0= -.55000182E+03 d E =-.549989E+03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.418879747650E+03 0.13111E+03 -0.54088E+03 23436 0.178E+02 0.467E+01
DAV: 2 -0.467564129725E+03 -0.48684E+02 -0.54827E+02 26184 0.495E+01 0.227E+01
DAV: 3 -0.460691874934E+03 0.68723E+01 -0.23328E+01 28536 0.140E+01 0.120E+01
DAV: 4 -0.459542835443E+03 0.11490E+01 -0.14606E+01 25224 0.103E+01 0.347E+00
DAV: 5 -0.459380579358E+03 0.16226E+00 -0.19334E+00 25836 0.455E+00 0.249E+00
DAV: 6 -0.459398939602E+03 -0.18360E-01 -0.54010E-01 26748 0.175E+00 0.150E+00
DAV: 7 -0.459368684055E+03 0.30256E-01 -0.95370E-02 24936 0.104E+00 0.416E-01
DAV: 8 -0.459365886911E+03 0.27971E-02 -0.29671E-02 27696 0.524E-01 0.320E-01
DAV: 9 -0.459367350598E+03 -0.14637E-02 -0.60264E-03 25728 0.270E-01 0.154E-01
DAV: 10 -0.459370629486E+03 -0.32789E-02 -0.58591E-03 26172 0.220E-01 0.117E-01
DAV: 11 -0.459374702072E+03 -0.40726E-02 -0.72974E-03 24456 0.195E-01 0.158E-01
DAV: 12 -0.459376151232E+03 -0.14492E-02 -0.15566E-03 25788 0.838E-02 0.783E-02
DAV: 13 -0.459378050388E+03 -0.18992E-02 -0.74047E-04 24264 0.615E-02 0.272E-02
DAV: 14 -0.459379079404E+03 -0.10290E-02 -0.12358E-04 26472 0.279E-02 0.201E-02
DAV: 15 -0.459379841763E+03 -0.76236E-03 -0.65452E-05 21336 0.175E-02 0.131E-02
DAV: 16 -0.459380265638E+03 -0.42388E-03 -0.47421E-05 23868 0.137E-02 0.918E-03
DAV: 17 -0.459380483594E+03 -0.21796E-03 -0.29357E-05 20496 0.958E-03 0.571E-03
DAV: 18 -0.459380553851E+03 -0.70256E-04 -0.67963E-06 18456 0.534E-03 0.273E-03
DAV: 19 -0.459380602495E+03 -0.48645E-04 -0.60607E-06 17808 0.396E-03 0.194E-03
DAV: 20 -0.459380615035E+03 -0.12540E-04 -0.96666E-07 18564 0.190E-03 0.972E-04
DAV: 21 -0.459380629604E+03 -0.14569E-04 -0.14829E-06 16884 0.207E-03 0.718E-04
DAV: 22 -0.459380633007E+03 -0.34025E-05 -0.42337E-07 18396 0.108E-03
2 F= -.45938063E+03 E0= -.45938869E+03 d E =0.906087E+02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.529757366399E+03 -0.70377E+02 -0.46767E+03 24792 0.161E+02 0.305E+01
DAV: 2 -0.561268698238E+03 -0.31511E+02 -0.47747E+02 30030 0.419E+01 0.288E+01
DAV: 3 -0.554522502550E+03 0.67462E+01 -0.31217E+01 28188 0.140E+01 0.208E+01
DAV: 4 -0.552161312287E+03 0.23612E+01 -0.29469E+01 27432 0.166E+01 0.106E+01
DAV: 5 -0.551689820455E+03 0.47149E+00 -0.57985E+00 26448 0.573E+00 0.709E+00
DAV: 6 -0.551417001844E+03 0.27282E+00 -0.17915E+00 25692 0.337E+00 0.149E+00
DAV: 7 -0.551415297538E+03 0.17043E-02 -0.16335E-01 28080 0.118E+00 0.575E-01
DAV: 8 -0.551417707625E+03 -0.24101E-02 -0.31781E-02 24828 0.495E-01 0.280E-01
DAV: 9 -0.551421479007E+03 -0.37714E-02 -0.62776E-03 27096 0.243E-01 0.149E-01
DAV: 10 -0.551425377081E+03 -0.38981E-02 -0.22820E-03 25416 0.167E-01 0.681E-02
DAV: 11 -0.551428626650E+03 -0.32496E-02 -0.13217E-03 27780 0.122E-01 0.496E-02
DAV: 12 -0.551431828198E+03 -0.32015E-02 -0.93106E-04 25212 0.109E-01 0.286E-02
DAV: 13 -0.551433244626E+03 -0.14164E-02 -0.49810E-04 27120 0.639E-02 0.235E-02
DAV: 14 -0.551433855100E+03 -0.61047E-03 -0.96918E-05 27312 0.250E-02 0.124E-02
DAV: 15 -0.551434537751E+03 -0.68265E-03 -0.90580E-05 22680 0.182E-02 0.870E-03
DAV: 16 -0.551434756593E+03 -0.21884E-03 -0.19619E-05 21168 0.109E-02 0.472E-03
DAV: 17 -0.551434944649E+03 -0.18806E-03 -0.20599E-05 20388 0.995E-03 0.413E-03
DAV: 18 -0.551435041401E+03 -0.96752E-04 -0.83465E-06 18636 0.640E-03 0.202E-03
DAV: 19 -0.551435077830E+03 -0.36429E-04 -0.51456E-06 18492 0.410E-03 0.148E-03
DAV: 20 -0.551435095122E+03 -0.17292E-04 -0.17259E-06 18612 0.267E-03 0.707E-04
DAV: 21 -0.551435109397E+03 -0.14274E-04 -0.16294E-06 17772 0.204E-03 0.702E-04
DAV: 22 -0.551435113441E+03 -0.40447E-05 -0.56005E-07 17328 0.142E-03
3 F= -.55143511E+03 E0= -.55143988E+03 d E =-.144580E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.552629472401E+03 -0.11944E+01 -0.18930E+01 22002 0.108E+01 0.113E+00
DAV: 2 -0.552692185306E+03 -0.62713E-01 -0.70728E-01 25668 0.175E+00 0.655E-01
DAV: 3 -0.552687338324E+03 0.48470E-02 -0.18782E-02 26904 0.360E-01 0.410E-01
DAV: 4 -0.552685606958E+03 0.17314E-02 -0.87769E-03 25308 0.249E-01 0.115E-01
DAV: 5 -0.552685661100E+03 -0.54141E-04 -0.18133E-03 25404 0.107E-01 0.488E-02
DAV: 6 -0.552685674135E+03 -0.13036E-04 -0.14834E-04 26868 0.354E-02 0.278E-02
DAV: 7 -0.552685704541E+03 -0.30405E-04 -0.32022E-05 23544 0.167E-02 0.136E-02
DAV: 8 -0.552685747608E+03 -0.43068E-04 -0.10016E-05 18924 0.102E-02 0.494E-03
DAV: 9 -0.552685789057E+03 -0.41449E-04 -0.59397E-06 17676 0.695E-03 0.350E-03
DAV: 10 -0.552685826314E+03 -0.37256E-04 -0.30676E-06 17964 0.488E-03 0.252E-03
DAV: 11 -0.552685855077E+03 -0.28763E-04 -0.26980E-06 17784 0.356E-03 0.123E-03
DAV: 12 -0.552685869539E+03 -0.14462E-04 -0.13498E-06 18300 0.223E-03 0.759E-04
DAV: 13 -0.552685878067E+03 -0.85278E-05 -0.86230E-07 17568 0.158E-03
4 F= -.55268588E+03 E0= -.55269047E+03 d E =-.269656E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.553090820315E+03 -0.40495E+00 -0.37198E+02 21924 0.477E+01 0.571E+00
DAV: 2 -0.554420886907E+03 -0.13301E+01 -0.15015E+01 26304 0.800E+00 0.334E+00
DAV: 3 -0.554276184788E+03 0.14470E+00 -0.52348E-01 27168 0.194E+00 0.189E+00
DAV: 4 -0.554224215616E+03 0.51969E-01 -0.16549E-01 26352 0.118E+00 0.590E-01
DAV: 5 -0.554224219855E+03 -0.42390E-05 -0.40561E-02 24996 0.504E-01 0.229E-01
DAV: 6 -0.554223976835E+03 0.24302E-03 -0.48141E-03 26940 0.195E-01 0.114E-01
DAV: 7 -0.554224207185E+03 -0.23035E-03 -0.13322E-03 25140 0.119E-01 0.530E-02
DAV: 8 -0.554224688307E+03 -0.48112E-03 -0.19792E-04 25020 0.450E-02 0.253E-02
DAV: 9 -0.554225169468E+03 -0.48116E-03 -0.96913E-05 24456 0.396E-02 0.147E-02
DAV: 10 -0.554225659686E+03 -0.49022E-03 -0.88470E-05 25032 0.326E-02 0.117E-02
DAV: 11 -0.554225930775E+03 -0.27109E-03 -0.46196E-05 25404 0.196E-02 0.599E-03
DAV: 12 -0.554226072151E+03 -0.14138E-03 -0.81495E-06 17724 0.771E-03 0.364E-03
DAV: 13 -0.554226192884E+03 -0.12073E-03 -0.11818E-05 18084 0.587E-03 0.201E-03
DAV: 14 -0.554226235760E+03 -0.42876E-04 -0.27604E-06 18588 0.315E-03 0.125E-03
DAV: 15 -0.554226264336E+03 -0.28576E-04 -0.23935E-06 17328 0.239E-03 0.657E-04
DAV: 16 -0.554226276772E+03 -0.12437E-04 -0.12893E-06 18468 0.168E-03 0.433E-04
DAV: 17 -0.554226281864E+03 -0.50919E-05 -0.59487E-07 18108 0.117E-03
5 F= -.55422628E+03 E0= -.55423108E+03 d E =-.423696E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.554455566973E+03 -0.22929E+00 -0.50622E+01 21924 0.175E+01 0.203E+00
DAV: 2 -0.554609250096E+03 -0.15368E+00 -0.19390E+00 26880 0.296E+00 0.128E+00
DAV: 3 -0.554585203711E+03 0.24046E-01 -0.59648E-02 28008 0.696E-01 0.764E-01
DAV: 4 -0.554579661989E+03 0.55417E-02 -0.37174E-02 25812 0.485E-01 0.256E-01
DAV: 5 -0.554579544994E+03 0.11700E-03 -0.62345E-03 24948 0.208E-01 0.924E-02
DAV: 6 -0.554579613529E+03 -0.68535E-04 -0.67931E-04 26460 0.713E-02 0.506E-02
DAV: 7 -0.554579778055E+03 -0.16453E-03 -0.18090E-04 24540 0.381E-02 0.214E-02
DAV: 8 -0.554579910562E+03 -0.13251E-03 -0.21225E-05 21012 0.181E-02 0.111E-02
DAV: 9 -0.554580082728E+03 -0.17217E-03 -0.28788E-05 21852 0.171E-02 0.606E-03
DAV: 10 -0.554580206613E+03 -0.12389E-03 -0.14042E-05 20124 0.120E-02 0.465E-03
DAV: 11 -0.554580316696E+03 -0.11008E-03 -0.13932E-05 20076 0.971E-03 0.275E-03
DAV: 12 -0.554580363096E+03 -0.46400E-04 -0.48717E-06 18612 0.562E-03 0.169E-03
DAV: 13 -0.554580385650E+03 -0.22554E-04 -0.22683E-06 17916 0.312E-03 0.123E-03
DAV: 14 -0.554580404072E+03 -0.18422E-04 -0.16540E-06 17448 0.217E-03 0.650E-04
DAV: 15 -0.554580411870E+03 -0.77986E-05 -0.91872E-07 18504 0.165E-03
6 F= -.55458041E+03 E0= -.55458512E+03 d E =-.459109E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.554605968481E+03 -0.25564E-01 -0.21256E+00 21972 0.363E+00 0.410E-01
DAV: 2 -0.554612270488E+03 -0.63020E-02 -0.76981E-02 25320 0.602E-01 0.251E-01
DAV: 3 -0.554611406932E+03 0.86356E-03 -0.26220E-03 27024 0.142E-01 0.144E-01
DAV: 4 -0.554611203450E+03 0.20348E-03 -0.11842E-03 24576 0.916E-02 0.450E-02
DAV: 5 -0.554611203758E+03 -0.30884E-06 -0.21438E-04 25368 0.378E-02 0.170E-02
DAV: 6 -0.554611206266E+03 -0.25081E-05 -0.22797E-05 22656 0.127E-02
7 F= -.55461121E+03 E0= -.55461595E+03 d E =-.462189E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.550484261064E+03 0.41269E+01 -0.10854E+03 21924 0.807E+01 0.878E+00
DAV: 2 -0.555571136549E+03 -0.50869E+01 -0.56667E+01 25872 0.152E+01 0.529E+00
DAV: 3 -0.555347548322E+03 0.22359E+00 -0.13917E+00 27204 0.316E+00 0.346E+00
DAV: 4 -0.555256849416E+03 0.90699E-01 -0.51601E-01 26208 0.198E+00 0.129E+00
DAV: 5 -0.555246274430E+03 0.10575E-01 -0.80944E-02 25272 0.890E-01 0.517E-01
DAV: 6 -0.555246735595E+03 -0.46117E-03 -0.22125E-02 25824 0.402E-01 0.254E-01
DAV: 7 -0.555246970911E+03 -0.23532E-03 -0.36704E-03 24504 0.190E-01 0.116E-01
DAV: 8 -0.555247591644E+03 -0.62073E-03 -0.73179E-04 25140 0.104E-01 0.496E-02
DAV: 9 -0.555248176805E+03 -0.58516E-03 -0.41645E-04 26604 0.740E-02 0.255E-02
DAV: 10 -0.555248790853E+03 -0.61405E-03 -0.13058E-04 24900 0.507E-02 0.160E-02
DAV: 11 -0.555249308534E+03 -0.51768E-03 -0.10420E-04 25356 0.430E-02 0.102E-02
DAV: 12 -0.555249706371E+03 -0.39784E-03 -0.73129E-05 22428 0.361E-02 0.678E-03
DAV: 13 -0.555249890847E+03 -0.18448E-03 -0.57929E-05 25620 0.219E-02 0.563E-03
DAV: 14 -0.555249948150E+03 -0.57302E-04 -0.42356E-06 18648 0.575E-03 0.408E-03
DAV: 15 -0.555250041104E+03 -0.92954E-04 -0.10175E-05 17694 0.592E-03 0.147E-03
DAV: 16 -0.555250066883E+03 -0.25779E-04 -0.26599E-06 18588 0.322E-03 0.152E-03
DAV: 17 -0.555250084659E+03 -0.17776E-04 -0.14233E-06 17664 0.219E-03 0.835E-04
DAV: 18 -0.555250094726E+03 -0.10067E-04 -0.11211E-06 17796 0.183E-03 0.626E-04
DAV: 19 -0.555250099567E+03 -0.48405E-05 -0.52165E-07 16800 0.128E-03
8 F= -.55525010E+03 E0= -.55525403E+03 d E =-.638893E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.555743788872E+03 -0.49369E+00 -0.22641E+02 21924 0.359E+01 0.375E+00
DAV: 2 -0.556491890331E+03 -0.74810E+00 -0.84917E+00 25380 0.610E+00 0.257E+00
DAV: 3 -0.556422688808E+03 0.69202E-01 -0.23752E-01 27576 0.148E+00 0.159E+00
DAV: 4 -0.556403313957E+03 0.19375E-01 -0.16286E-01 24624 0.106E+00 0.586E-01
DAV: 5 -0.556401365821E+03 0.19481E-02 -0.19688E-02 27180 0.459E-01 0.239E-01
DAV: 6 -0.556401685594E+03 -0.31977E-03 -0.41414E-03 24528 0.165E-01 0.123E-01
DAV: 7 -0.556401764633E+03 -0.79039E-04 -0.41139E-04 24192 0.603E-02 0.652E-02
DAV: 8 -0.556401955481E+03 -0.19085E-03 -0.23716E-04 24060 0.560E-02 0.176E-02
DAV: 9 -0.556402136251E+03 -0.18077E-03 -0.10336E-04 27204 0.330E-02 0.138E-02
DAV: 10 -0.556402319142E+03 -0.18289E-03 -0.20082E-05 20352 0.215E-02 0.860E-03
DAV: 11 -0.556402512174E+03 -0.19303E-03 -0.25165E-05 21468 0.220E-02 0.471E-03
DAV: 12 -0.556402641611E+03 -0.12944E-03 -0.21501E-05 20352 0.161E-02 0.308E-03
DAV: 13 -0.556402694471E+03 -0.52860E-04 -0.73068E-06 18288 0.744E-03 0.225E-03
DAV: 14 -0.556402725106E+03 -0.30635E-04 -0.24766E-06 17520 0.366E-03 0.109E-03
DAV: 15 -0.556402745936E+03 -0.20830E-04 -0.17029E-06 17832 0.259E-03 0.676E-04
DAV: 16 -0.556402756637E+03 -0.10701E-04 -0.94304E-07 17448 0.185E-03 0.351E-04
DAV: 17 -0.556402760854E+03 -0.42173E-05 -0.48974E-07 16680 0.117E-03
9 F= -.55640276E+03 E0= -.55640692E+03 d E =-.179155E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.552770162328E+03 0.36326E+01 -0.81195E+02 21924 0.660E+01 0.698E+00
DAV: 2 -0.556294572104E+03 -0.35244E+01 -0.37543E+01 25572 0.115E+01 0.479E+00
DAV: 3 -0.556071354778E+03 0.22322E+00 -0.85194E-01 27372 0.244E+00 0.320E+00
DAV: 4 -0.555955763112E+03 0.11559E+00 -0.81987E-01 25236 0.245E+00 0.102E+00
DAV: 5 -0.555950541322E+03 0.52218E-02 -0.10618E-01 27696 0.101E+00 0.475E-01
DAV: 6 -0.555950125360E+03 0.41596E-03 -0.24927E-02 25824 0.416E-01 0.211E-01
DAV: 7 -0.555950139079E+03 -0.13719E-04 -0.27234E-03 25584 0.155E-01 0.920E-02
DAV: 8 -0.555950391252E+03 -0.25217E-03 -0.51858E-04 27036 0.827E-02 0.386E-02
DAV: 9 -0.555950924604E+03 -0.53335E-03 -0.26795E-04 25272 0.694E-02 0.207E-02
DAV: 10 -0.555951518804E+03 -0.59420E-03 -0.19519E-04 26112 0.636E-02 0.156E-02
DAV: 11 -0.555951910685E+03 -0.39188E-03 -0.17688E-04 26400 0.424E-02 0.103E-02
DAV: 12 -0.555952081899E+03 -0.17121E-03 -0.34795E-05 25320 0.162E-02 0.631E-03
DAV: 13 -0.555952231581E+03 -0.14968E-03 -0.15531E-05 19320 0.977E-03 0.290E-03
DAV: 14 -0.555952309412E+03 -0.77831E-04 -0.76375E-06 19140 0.573E-03 0.196E-03
DAV: 15 -0.555952365677E+03 -0.56265E-04 -0.47119E-06 17280 0.442E-03 0.121E-03
DAV: 16 -0.555952394230E+03 -0.28553E-04 -0.32984E-06 18156 0.317E-03 0.987E-04
DAV: 17 -0.555952405762E+03 -0.11532E-04 -0.16408E-06 17904 0.238E-03 0.527E-04
DAV: 18 -0.555952410154E+03 -0.43919E-05 -0.73050E-07 17076 0.160E-03
10 F= -.55595241E+03 E0= -.55595629E+03 d E =0.450351E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.556328769937E+03 -0.37636E+00 -0.25504E+02 21924 0.366E+01 0.382E+00
DAV: 2 -0.557189001736E+03 -0.86023E+00 -0.10098E+01 26100 0.606E+00 0.255E+00
DAV: 3 -0.557118781395E+03 0.70220E-01 -0.24942E-01 27816 0.144E+00 0.164E+00
DAV: 4 -0.557095850908E+03 0.22930E-01 -0.16893E-01 24876 0.115E+00 0.631E-01
DAV: 5 -0.557094658592E+03 0.11923E-02 -0.34204E-02 25716 0.514E-01 0.282E-01
DAV: 6 -0.557094593915E+03 0.64677E-04 -0.62018E-03 24960 0.194E-01 0.131E-01
DAV: 7 -0.557094506392E+03 0.87523E-04 -0.52438E-04 25308 0.776E-02 0.592E-02
DAV: 8 -0.557094588709E+03 -0.82317E-04 -0.18034E-04 25068 0.436E-02 0.224E-02
DAV: 9 -0.557094686156E+03 -0.97447E-04 -0.67774E-05 25632 0.317E-02 0.117E-02
DAV: 10 -0.557094892226E+03 -0.20607E-03 -0.40964E-05 22374 0.367E-02 0.825E-03
DAV: 11 -0.557095012647E+03 -0.12042E-03 -0.49045E-05 24420 0.236E-02 0.786E-03
DAV: 12 -0.557095075181E+03 -0.62533E-04 -0.16269E-05 18840 0.114E-02 0.385E-03
DAV: 13 -0.557095121216E+03 -0.46035E-04 -0.40834E-06 17316 0.635E-03 0.196E-03
DAV: 14 -0.557095153469E+03 -0.32253E-04 -0.29907E-06 17268 0.398E-03 0.148E-03
DAV: 15 -0.557095173733E+03 -0.20264E-04 -0.13753E-06 17244 0.275E-03 0.733E-04
DAV: 16 -0.557095184174E+03 -0.10442E-04 -0.89589E-07 17124 0.192E-03 0.521E-04
DAV: 17 -0.557095188314E+03 -0.41398E-05 -0.41650E-07 16896 0.124E-03
11 F= -.55709519E+03 E0= -.55709914E+03 d E =-.692427E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.556857391383E+03 0.23779E+00 -0.25099E+02 21924 0.393E+01 0.400E+00
DAV: 2 -0.557433261916E+03 -0.57587E+00 -0.74937E+00 25296 0.585E+00 0.226E+00
DAV: 3 -0.557370759185E+03 0.62503E-01 -0.27952E-01 27492 0.144E+00 0.128E+00
DAV: 4 -0.557354617359E+03 0.16142E-01 -0.10538E-01 25656 0.930E-01 0.454E-01
DAV: 5 -0.557354161065E+03 0.45629E-03 -0.19334E-02 26064 0.411E-01 0.211E-01
DAV: 6 -0.557354310324E+03 -0.14926E-03 -0.52354E-03 25524 0.186E-01 0.121E-01
DAV: 7 -0.557354375854E+03 -0.65529E-04 -0.11236E-03 24504 0.107E-01 0.463E-02
DAV: 8 -0.557354681077E+03 -0.30522E-03 -0.30386E-04 25224 0.462E-02 0.282E-02
DAV: 9 -0.557354929157E+03 -0.24808E-03 -0.50131E-05 25596 0.254E-02 0.126E-02
DAV: 10 -0.557355373631E+03 -0.44447E-03 -0.69016E-05 23862 0.258E-02 0.114E-02
DAV: 11 -0.557355714026E+03 -0.34040E-03 -0.38313E-05 22476 0.170E-02 0.731E-03
DAV: 12 -0.557355888837E+03 -0.17481E-03 -0.20140E-05 20508 0.113E-02 0.370E-03
DAV: 13 -0.557355985926E+03 -0.97089E-04 -0.61156E-06 18600 0.540E-03 0.268E-03
DAV: 14 -0.557356040122E+03 -0.54197E-04 -0.37538E-06 17892 0.373E-03 0.128E-03
DAV: 15 -0.557356065610E+03 -0.25488E-04 -0.21229E-06 18096 0.256E-03 0.796E-04
DAV: 16 -0.557356078877E+03 -0.13266E-04 -0.11694E-06 17352 0.167E-03 0.516E-04
DAV: 17 -0.557356084330E+03 -0.54536E-05 -0.60413E-07 17268 0.128E-03
12 F= -.55735608E+03 E0= -.55735998E+03 d E =-.260896E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.557448543317E+03 -0.92464E-01 -0.34834E+01 21924 0.146E+01 0.152E+00
DAV: 2 -0.557511992850E+03 -0.63450E-01 -0.93332E-01 24120 0.213E+00 0.833E-01
DAV: 3 -0.557502735094E+03 0.92578E-02 -0.31483E-02 26724 0.555E-01 0.484E-01
DAV: 4 -0.557500779859E+03 0.19552E-02 -0.19178E-02 24864 0.385E-01 0.178E-01
DAV: 5 -0.557500772206E+03 0.76533E-05 -0.31719E-03 25464 0.167E-01 0.878E-02
DAV: 6 -0.557500868632E+03 -0.96426E-04 -0.73427E-04 25008 0.686E-02 0.416E-02
DAV: 7 -0.557500958975E+03 -0.90342E-04 -0.12759E-04 25092 0.345E-02 0.163E-02
DAV: 8 -0.557501048319E+03 -0.89345E-04 -0.24802E-05 24108 0.137E-02 0.943E-03
DAV: 9 -0.557501143314E+03 -0.94994E-04 -0.16260E-05 21360 0.130E-02 0.432E-03
DAV: 10 -0.557501244954E+03 -0.10164E-03 -0.10707E-05 18672 0.896E-03 0.437E-03
DAV: 11 -0.557501318340E+03 -0.73386E-04 -0.79935E-06 17952 0.655E-03 0.211E-03
DAV: 12 -0.557501364251E+03 -0.45912E-04 -0.51116E-06 17580 0.425E-03 0.136E-03
DAV: 13 -0.557501386963E+03 -0.22712E-04 -0.19556E-06 18060 0.250E-03 0.730E-04
DAV: 14 -0.557501398261E+03 -0.11298E-04 -0.12554E-06 17808 0.180E-03 0.425E-04
DAV: 15 -0.557501403777E+03 -0.55159E-05 -0.65608E-07 17064 0.120E-03
13 F= -.55750140E+03 E0= -.55750532E+03 d E =-.406215E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.557536300463E+03 -0.34902E-01 -0.13792E+02 21924 0.300E+01 0.326E+00
DAV: 2 -0.557753803696E+03 -0.21750E+00 -0.37329E+00 25656 0.439E+00 0.198E+00
DAV: 3 -0.557715202909E+03 0.38601E-01 -0.16784E-01 27144 0.112E+00 0.112E+00
DAV: 4 -0.557703776098E+03 0.11427E-01 -0.58341E-02 25008 0.708E-01 0.353E-01
DAV: 5 -0.557703126817E+03 0.64928E-03 -0.97949E-03 26412 0.301E-01 0.153E-01
DAV: 6 -0.557703248616E+03 -0.12180E-03 -0.32840E-03 24660 0.148E-01 0.881E-02
DAV: 7 -0.557703343811E+03 -0.95195E-04 -0.49300E-04 28356 0.731E-02 0.359E-02
DAV: 8 -0.557703570019E+03 -0.22621E-03 -0.13769E-04 24828 0.401E-02 0.187E-02
DAV: 9 -0.557703730911E+03 -0.16089E-03 -0.52144E-05 25812 0.264E-02 0.100E-02
DAV: 10 -0.557703993464E+03 -0.26255E-03 -0.27642E-05 21624 0.241E-02 0.821E-03
DAV: 11 -0.557704217613E+03 -0.22415E-03 -0.29226E-05 22140 0.221E-02 0.536E-03
DAV: 12 -0.557704338489E+03 -0.12088E-03 -0.23987E-05 20496 0.139E-02 0.419E-03
DAV: 13 -0.557704377560E+03 -0.39072E-04 -0.31921E-06 17244 0.488E-03 0.279E-03
DAV: 14 -0.557704439908E+03 -0.62348E-04 -0.46867E-06 17148 0.443E-03 0.118E-03
DAV: 15 -0.557704461185E+03 -0.21277E-04 -0.13811E-06 17712 0.225E-03 0.958E-04
DAV: 16 -0.557704474406E+03 -0.13221E-04 -0.78725E-07 16380 0.183E-03 0.498E-04
DAV: 17 -0.557704482406E+03 -0.80001E-05 -0.63038E-07 17436 0.132E-03
14 F= -.55770448E+03 E0= -.55770838E+03 d E =-.203079E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.557758209512E+03 -0.53735E-01 -0.16076E+01 21924 0.102E+01 0.116E+00
DAV: 2 -0.557779524075E+03 -0.21315E-01 -0.41054E-01 24528 0.149E+00 0.649E-01
DAV: 3 -0.557775062891E+03 0.44612E-02 -0.17803E-02 27048 0.377E-01 0.362E-01
DAV: 4 -0.557773918016E+03 0.11449E-02 -0.77384E-03 24756 0.257E-01 0.114E-01
DAV: 5 -0.557773842387E+03 0.75629E-04 -0.11889E-03 27672 0.109E-01 0.528E-02
DAV: 6 -0.557773879987E+03 -0.37599E-04 -0.38459E-04 25056 0.499E-02 0.299E-02
DAV: 7 -0.557773914085E+03 -0.34098E-04 -0.52875E-05 25644 0.241E-02 0.127E-02
DAV: 8 -0.557773965417E+03 -0.51332E-04 -0.15624E-05 20064 0.138E-02 0.628E-03
DAV: 9 -0.557774000353E+03 -0.34936E-04 -0.53048E-06 17388 0.892E-03 0.345E-03
DAV: 10 -0.557774059984E+03 -0.59631E-04 -0.82557E-06 17808 0.105E-02 0.368E-03
DAV: 11 -0.557774095725E+03 -0.35741E-04 -0.47901E-06 18024 0.742E-03 0.209E-03
DAV: 12 -0.557774116334E+03 -0.20609E-04 -0.36291E-06 17244 0.498E-03 0.160E-03
DAV: 13 -0.557774126698E+03 -0.10364E-04 -0.93571E-07 16632 0.224E-03 0.847E-04
DAV: 14 -0.557774137843E+03 -0.11145E-04 -0.12973E-06 16896 0.203E-03 0.725E-04
DAV: 15 -0.557774140124E+03 -0.22816E-05 -0.29958E-07 17316 0.124E-03
15 F= -.55777414E+03 E0= -.55777804E+03 d E =-.272736E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.557845904332E+03 -0.71766E-01 -0.56991E+01 21924 0.196E+01 0.216E+00
DAV: 2 -0.557938787319E+03 -0.92883E-01 -0.15317E+00 25524 0.290E+00 0.121E+00
DAV: 3 -0.557922573131E+03 0.16214E-01 -0.82775E-02 26676 0.794E-01 0.668E-01
DAV: 4 -0.557918553533E+03 0.40196E-02 -0.19922E-02 24852 0.438E-01 0.263E-01
DAV: 5 -0.557918348194E+03 0.20534E-03 -0.42876E-03 26796 0.187E-01 0.966E-02
DAV: 6 -0.557918408184E+03 -0.59989E-04 -0.10485E-03 24972 0.905E-02 0.542E-02
DAV: 7 -0.557918506145E+03 -0.97962E-04 -0.17814E-04 25200 0.416E-02 0.224E-02
DAV: 8 -0.557918659729E+03 -0.15358E-03 -0.74079E-05 25272 0.234E-02 0.110E-02
DAV: 9 -0.557918794928E+03 -0.13520E-03 -0.12132E-05 19452 0.132E-02 0.626E-03
DAV: 10 -0.557918978518E+03 -0.18359E-03 -0.21999E-05 23148 0.150E-02 0.597E-03
DAV: 11 -0.557919105504E+03 -0.12699E-03 -0.12811E-05 19488 0.107E-02 0.300E-03
DAV: 12 -0.557919173023E+03 -0.67519E-04 -0.60487E-06 18096 0.577E-03 0.276E-03
DAV: 13 -0.557919216617E+03 -0.43594E-04 -0.29111E-06 17712 0.360E-03 0.123E-03
DAV: 14 -0.557919241893E+03 -0.25276E-04 -0.22194E-06 17760 0.276E-03 0.882E-04
DAV: 15 -0.557919253644E+03 -0.11750E-04 -0.10159E-06 17364 0.204E-03 0.449E-04
DAV: 16 -0.557919258645E+03 -0.50017E-05 -0.55250E-07 16608 0.118E-03
16 F= -.55791926E+03 E0= -.55792315E+03 d E =-.145119E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.557928910048E+03 -0.96564E-02 -0.28005E+00 21924 0.434E+00 0.485E-01
DAV: 2 -0.557933239779E+03 -0.43297E-02 -0.76750E-02 24780 0.654E-01 0.266E-01
DAV: 3 -0.557932438447E+03 0.80133E-03 -0.38997E-03 26244 0.174E-01 0.150E-01
DAV: 4 -0.557932268825E+03 0.16962E-03 -0.11753E-03 24828 0.103E-01 0.565E-02
DAV: 5 -0.557932266334E+03 0.24909E-05 -0.21157E-04 26904 0.432E-02 0.218E-02
DAV: 6 -0.557932278242E+03 -0.11908E-04 -0.56015E-05 24708 0.199E-02 0.124E-02
DAV: 7 -0.557932292622E+03 -0.14380E-04 -0.81580E-06 17700 0.954E-03 0.496E-03
DAV: 8 -0.557932311825E+03 -0.19203E-04 -0.59839E-06 16788 0.649E-03 0.286E-03
DAV: 9 -0.557932326728E+03 -0.14903E-04 -0.13413E-06 16488 0.385E-03 0.161E-03
DAV: 10 -0.557932348399E+03 -0.21671E-04 -0.26853E-06 16824 0.472E-03 0.198E-03
DAV: 11 -0.557932358353E+03 -0.99541E-05 -0.10323E-06 17028 0.268E-03
17 F= -.55793236E+03 E0= -.55793626E+03 d E =-.158218E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.558074793591E+03 -0.14245E+00 -0.35622E+01 21924 0.155E+01 0.150E+00
DAV: 2 -0.558134685802E+03 -0.59892E-01 -0.85814E-01 24486 0.217E+00 0.956E-01
DAV: 3 -0.558125696922E+03 0.89889E-02 -0.38424E-02 26472 0.594E-01 0.525E-01
DAV: 4 -0.558123642370E+03 0.20546E-02 -0.13137E-02 24288 0.347E-01 0.164E-01
DAV: 5 -0.558123715869E+03 -0.73499E-04 -0.27034E-03 26988 0.152E-01 0.757E-02
DAV: 6 -0.558123721376E+03 -0.55071E-05 -0.40831E-04 24900 0.566E-02 0.390E-02
DAV: 7 -0.558123762149E+03 -0.40773E-04 -0.74775E-05 24768 0.267E-02 0.146E-02
DAV: 8 -0.558123824437E+03 -0.62288E-04 -0.26807E-05 21828 0.177E-02 0.703E-03
DAV: 9 -0.558123891378E+03 -0.66941E-04 -0.85438E-06 17112 0.122E-02 0.402E-03
DAV: 10 -0.558123967227E+03 -0.75849E-04 -0.86935E-06 17196 0.115E-02 0.269E-03
DAV: 11 -0.558124028025E+03 -0.60798E-04 -0.81836E-06 17616 0.934E-03 0.227E-03
DAV: 12 -0.558124065546E+03 -0.37521E-04 -0.49923E-06 17676 0.612E-03 0.159E-03
DAV: 13 -0.558124081122E+03 -0.15575E-04 -0.19070E-06 17592 0.299E-03 0.113E-03
DAV: 14 -0.558124090265E+03 -0.91436E-05 -0.11661E-06 16116 0.235E-03
18 F= -.55812409E+03 E0= -.55812797E+03 d E =-.191732E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.558137536938E+03 -0.13456E-01 -0.12629E+01 21924 0.921E+00 0.895E-01
DAV: 2 -0.558158471260E+03 -0.20934E-01 -0.30284E-01 24342 0.129E+00 0.564E-01
DAV: 3 -0.558155358467E+03 0.31128E-02 -0.13327E-02 26208 0.349E-01 0.310E-01
DAV: 4 -0.558154684981E+03 0.67349E-03 -0.46896E-03 23988 0.206E-01 0.966E-02
DAV: 5 -0.558154714064E+03 -0.29083E-04 -0.92021E-04 26904 0.885E-02 0.447E-02
DAV: 6 -0.558154720767E+03 -0.67036E-05 -0.14692E-04 24972 0.335E-02 0.230E-02
DAV: 7 -0.558154740964E+03 -0.20197E-04 -0.24335E-05 20184 0.159E-02 0.864E-03
DAV: 8 -0.558154771768E+03 -0.30804E-04 -0.10642E-05 17664 0.108E-02 0.404E-03
DAV: 9 -0.558154803110E+03 -0.31343E-04 -0.35579E-06 16488 0.726E-03 0.236E-03
DAV: 10 -0.558154841742E+03 -0.38632E-04 -0.38423E-06 17190 0.730E-03 0.164E-03
DAV: 11 -0.558154866487E+03 -0.24744E-04 -0.32158E-06 17484 0.518E-03 0.140E-03
DAV: 12 -0.558154881709E+03 -0.15222E-04 -0.16940E-06 17340 0.334E-03 0.103E-03
DAV: 13 -0.558154889588E+03 -0.78796E-05 -0.83208E-07 16752 0.192E-03
19 F= -.55815489E+03 E0= -.55815876E+03 d E =-.222531E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.558278844611E+03 -0.12396E+00 -0.20641E+01 21924 0.118E+01 0.107E+00
DAV: 2 -0.558314372148E+03 -0.35528E-01 -0.47756E-01 25584 0.160E+00 0.680E-01
DAV: 3 -0.558309677025E+03 0.46951E-02 -0.15143E-02 25788 0.378E-01 0.376E-01
DAV: 4 -0.558308693433E+03 0.98359E-03 -0.66845E-03 25128 0.240E-01 0.951E-02
DAV: 5 -0.558308746678E+03 -0.53245E-04 -0.11693E-03 25764 0.912E-02 0.517E-02
DAV: 6 -0.558308761160E+03 -0.14482E-04 -0.19680E-04 25248 0.370E-02 0.260E-02
DAV: 7 -0.558308792576E+03 -0.31416E-04 -0.28645E-05 21300 0.188E-02 0.114E-02
DAV: 8 -0.558308844903E+03 -0.52328E-04 -0.14604E-05 18156 0.117E-02 0.458E-03
DAV: 9 -0.558308884031E+03 -0.39127E-04 -0.45404E-06 17352 0.661E-03 0.286E-03
DAV: 10 -0.558308953652E+03 -0.69622E-04 -0.82424E-06 17736 0.857E-03 0.256E-03
DAV: 11 -0.558308981737E+03 -0.28085E-04 -0.36209E-06 18576 0.495E-03 0.170E-03
DAV: 12 -0.558309006241E+03 -0.24504E-04 -0.30968E-06 17160 0.427E-03 0.165E-03
DAV: 13 -0.558309015080E+03 -0.88386E-05 -0.10547E-06 17316 0.248E-03
20 F= -.55830902E+03 E0= -.55831289E+03 d E =-.154125E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.558329999545E+03 -0.20993E-01 -0.29408E+01 21924 0.140E+01 0.128E+00
DAV: 2 -0.558380819053E+03 -0.50820E-01 -0.68006E-01 25584 0.191E+00 0.812E-01
DAV: 3 -0.558374044667E+03 0.67744E-02 -0.21263E-02 25812 0.449E-01 0.449E-01
DAV: 4 -0.558372573200E+03 0.14715E-02 -0.94860E-03 25104 0.287E-01 0.112E-01
DAV: 5 -0.558372655795E+03 -0.82595E-04 -0.17014E-03 26328 0.109E-01 0.619E-02
DAV: 6 -0.558372671490E+03 -0.15695E-04 -0.25995E-04 24660 0.432E-02 0.311E-02
DAV: 7 -0.558372712440E+03 -0.40950E-04 -0.41334E-05 25260 0.218E-02 0.134E-02
DAV: 8 -0.558372778828E+03 -0.66388E-04 -0.17115E-05 19788 0.131E-02 0.528E-03
DAV: 9 -0.558372831203E+03 -0.52375E-04 -0.53831E-06 17964 0.779E-03 0.341E-03
DAV: 10 -0.558372920571E+03 -0.89368E-04 -0.10063E-05 18534 0.984E-03 0.265E-03
DAV: 11 -0.558372964573E+03 -0.44002E-04 -0.52810E-06 18180 0.619E-03 0.176E-03
DAV: 12 -0.558372996169E+03 -0.31596E-04 -0.41335E-06 17328 0.476E-03 0.166E-03
DAV: 13 -0.558373005974E+03 -0.98052E-05 -0.11837E-06 17880 0.269E-03
21 F= -.55837301E+03 E0= -.55837687E+03 d E =-.218116E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.558494633917E+03 -0.12164E+00 -0.24054E+01 21924 0.126E+01 0.115E+00
DAV: 2 -0.558531922599E+03 -0.37289E-01 -0.50950E-01 25818 0.167E+00 0.734E-01
DAV: 3 -0.558526740241E+03 0.51824E-02 -0.17504E-02 25956 0.430E-01 0.402E-01
DAV: 4 -0.558526211271E+03 0.52897E-03 -0.83554E-03 25332 0.249E-01 0.115E-01
DAV: 5 -0.558526223508E+03 -0.12237E-04 -0.12822E-03 25920 0.109E-01 0.505E-02
DAV: 6 -0.558526240524E+03 -0.17016E-04 -0.23499E-04 24540 0.396E-02 0.263E-02
DAV: 7 -0.558526264352E+03 -0.23828E-04 -0.45015E-05 24276 0.199E-02 0.108E-02
DAV: 8 -0.558526291367E+03 -0.27015E-04 -0.60914E-06 17292 0.891E-03 0.452E-03
DAV: 9 -0.558526325945E+03 -0.34578E-04 -0.61886E-06 17940 0.775E-03 0.280E-03
DAV: 10 -0.558526360717E+03 -0.34772E-04 -0.28026E-06 17484 0.516E-03 0.179E-03
DAV: 11 -0.558526389195E+03 -0.28478E-04 -0.31369E-06 17568 0.453E-03 0.144E-03
DAV: 12 -0.558526402663E+03 -0.13468E-04 -0.14033E-06 17544 0.305E-03 0.779E-04
DAV: 13 -0.558526410777E+03 -0.81136E-05 -0.95881E-07 16488 0.211E-03
22 F= -.55852641E+03 E0= -.55853028E+03 d E =-.153405E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.558545710754E+03 -0.19308E-01 -0.18867E+01 21924 0.112E+01 0.102E+00
DAV: 2 -0.558574892183E+03 -0.29181E-01 -0.40043E-01 25596 0.148E+00 0.653E-01
DAV: 3 -0.558570766387E+03 0.41258E-02 -0.13905E-02 25728 0.385E-01 0.356E-01
DAV: 4 -0.558570370322E+03 0.39606E-03 -0.66462E-03 25344 0.222E-01 0.103E-01
DAV: 5 -0.558570378052E+03 -0.77300E-05 -0.10226E-03 25776 0.975E-02 0.449E-02
DAV: 6 -0.558570391976E+03 -0.13923E-04 -0.18932E-04 24564 0.355E-02 0.235E-02
DAV: 7 -0.558570411927E+03 -0.19951E-04 -0.36609E-05 24492 0.180E-02 0.965E-03
DAV: 8 -0.558570434549E+03 -0.22622E-04 -0.47409E-06 16620 0.811E-03 0.406E-03
DAV: 9 -0.558570463478E+03 -0.28929E-04 -0.50857E-06 16572 0.699E-03 0.253E-03
DAV: 10 -0.558570493087E+03 -0.29609E-04 -0.23062E-06 17616 0.471E-03 0.155E-03
DAV: 11 -0.558570516646E+03 -0.23559E-04 -0.23854E-06 17616 0.393E-03 0.122E-03
DAV: 12 -0.558570528984E+03 -0.12338E-04 -0.11985E-06 17676 0.271E-03 0.649E-04
DAV: 13 -0.558570535928E+03 -0.69442E-05 -0.79044E-07 16644 0.187E-03
23 F= -.55857054E+03 E0= -.55857440E+03 d E =-.197530E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.558663405254E+03 -0.92876E-01 -0.27218E+01 21924 0.135E+01 0.130E+00
DAV: 2 -0.558706197700E+03 -0.42792E-01 -0.61283E-01 26352 0.184E+00 0.861E-01
DAV: 3 -0.558700214463E+03 0.59832E-02 -0.22675E-02 26580 0.462E-01 0.507E-01
DAV: 4 -0.558698901055E+03 0.13134E-02 -0.12404E-02 24312 0.301E-01 0.138E-01
DAV: 5 -0.558698803454E+03 0.97602E-04 -0.18889E-03 27960 0.140E-01 0.607E-02
DAV: 6 -0.558698826341E+03 -0.22887E-04 -0.41802E-04 24492 0.495E-02 0.333E-02
DAV: 7 -0.558698847680E+03 -0.21339E-04 -0.53753E-05 24924 0.223E-02 0.146E-02
DAV: 8 -0.558698882546E+03 -0.34866E-04 -0.10572E-05 16716 0.137E-02 0.556E-03
DAV: 9 -0.558698922123E+03 -0.39578E-04 -0.10674E-05 17964 0.109E-02 0.394E-03
DAV: 10 -0.558698974134E+03 -0.52011E-04 -0.49556E-06 17052 0.920E-03 0.206E-03
DAV: 11 -0.558699001675E+03 -0.27540E-04 -0.47995E-06 18036 0.611E-03 0.181E-03
DAV: 12 -0.558699016338E+03 -0.14664E-04 -0.13644E-06 16284 0.304E-03 0.101E-03
DAV: 13 -0.558699032499E+03 -0.16161E-04 -0.15265E-06 17112 0.246E-03 0.589E-04
DAV: 14 -0.558699037607E+03 -0.51081E-05 -0.52765E-07 17280 0.143E-03
24 F= -.55869904E+03 E0= -.55870290E+03 d E =-.128502E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.558703243499E+03 -0.42110E-02 -0.26971E+00 21924 0.425E+00 0.412E-01
DAV: 2 -0.558707441956E+03 -0.41985E-02 -0.61090E-02 25860 0.582E-01 0.270E-01
DAV: 3 -0.558706861105E+03 0.58085E-03 -0.22674E-03 25992 0.147E-01 0.160E-01
DAV: 4 -0.558706756719E+03 0.10439E-03 -0.12378E-03 23994 0.951E-02 0.443E-02
DAV: 5 -0.558706748973E+03 0.77458E-05 -0.18701E-04 27816 0.441E-02 0.192E-02
DAV: 6 -0.558706751608E+03 -0.26351E-05 -0.42091E-05 23532 0.158E-02
25 F= -.55870675E+03 E0= -.55871062E+03 d E =-.136216E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.558782907739E+03 -0.76159E-01 -0.15828E+01 21924 0.100E+01 0.105E+00
DAV: 2 -0.558805574444E+03 -0.22667E-01 -0.36397E-01 26688 0.138E+00 0.623E-01
DAV: 3 -0.558801291449E+03 0.42830E-02 -0.14521E-02 25392 0.339E-01 0.334E-01
DAV: 4 -0.558800771140E+03 0.52031E-03 -0.57213E-03 25464 0.203E-01 0.104E-01
DAV: 5 -0.558800784005E+03 -0.12865E-04 -0.83844E-04 26160 0.856E-02 0.401E-02
DAV: 6 -0.558800795892E+03 -0.11887E-04 -0.14672E-04 25356 0.304E-02 0.218E-02
DAV: 7 -0.558800814644E+03 -0.18752E-04 -0.27522E-05 21912 0.167E-02 0.869E-03
DAV: 8 -0.558800837770E+03 -0.23126E-04 -0.48203E-06 17100 0.719E-03 0.390E-03
DAV: 9 -0.558800867584E+03 -0.29814E-04 -0.35710E-06 16704 0.601E-03 0.204E-03
DAV: 10 -0.558800899877E+03 -0.32293E-04 -0.22198E-06 17472 0.455E-03 0.141E-03
DAV: 11 -0.558800923227E+03 -0.23350E-04 -0.18189E-06 17496 0.340E-03 0.860E-04
DAV: 12 -0.558800936409E+03 -0.13182E-04 -0.96502E-07 17664 0.210E-03 0.566E-04
DAV: 13 -0.558800944423E+03 -0.80136E-05 -0.61267E-07 16320 0.133E-03
26 F= -.55880094E+03 E0= -.55880481E+03 d E =-.941928E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.558810581439E+03 -0.96450E-02 -0.71036E+00 21924 0.673E+00 0.707E-01
DAV: 2 -0.558820809295E+03 -0.10228E-01 -0.16506E-01 26808 0.926E-01 0.417E-01
DAV: 3 -0.558818879346E+03 0.19299E-02 -0.64244E-03 24570 0.228E-01 0.225E-01
DAV: 4 -0.558818651979E+03 0.22737E-03 -0.26268E-03 25560 0.138E-01 0.706E-02
DAV: 5 -0.558818656732E+03 -0.47531E-05 -0.38798E-04 26052 0.585E-02 0.272E-02
DAV: 6 -0.558818660951E+03 -0.42198E-05 -0.66991E-05 25044 0.206E-02
27 F= -.55881866E+03 E0= -.55882253E+03 d E =-.111909E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.558882403465E+03 -0.63747E-01 -0.13582E+01 21924 0.952E+00 0.997E-01
DAV: 2 -0.558898731334E+03 -0.16328E-01 -0.28437E-01 26688 0.127E+00 0.641E-01
DAV: 3 -0.558894599904E+03 0.41314E-02 -0.15272E-02 25908 0.399E-01 0.342E-01
DAV: 4 -0.558894029129E+03 0.57077E-03 -0.58329E-03 24264 0.206E-01 0.110E-01
DAV: 5 -0.558894010631E+03 0.18498E-04 -0.81444E-04 26784 0.852E-02 0.422E-02
DAV: 6 -0.558894027257E+03 -0.16626E-04 -0.18326E-04 24888 0.354E-02 0.216E-02
DAV: 7 -0.558894062832E+03 -0.35575E-04 -0.32460E-05 23784 0.170E-02 0.844E-03
DAV: 8 -0.558894100930E+03 -0.38098E-04 -0.49915E-06 17232 0.717E-03 0.369E-03
DAV: 9 -0.558894140600E+03 -0.39670E-04 -0.32505E-06 17532 0.495E-03 0.207E-03
DAV: 10 -0.558894182626E+03 -0.42026E-04 -0.27040E-06 17532 0.396E-03 0.138E-03
DAV: 11 -0.558894216516E+03 -0.33889E-04 -0.25661E-06 17808 0.348E-03 0.866E-04
DAV: 12 -0.558894234168E+03 -0.17653E-04 -0.14959E-06 18168 0.234E-03 0.597E-04
DAV: 13 -0.558894242405E+03 -0.82368E-05 -0.75223E-07 16656 0.149E-03
28 F= -.55889424E+03 E0= -.55889811E+03 d E =-.755815E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.558898485384E+03 -0.42512E-02 -0.16701E+00 21924 0.334E+00 0.351E-01
DAV: 2 -0.558900406841E+03 -0.19215E-02 -0.34492E-02 25332 0.444E-01 0.223E-01
DAV: 3 -0.558899941095E+03 0.46575E-03 -0.19771E-03 25362 0.141E-01 0.118E-01
DAV: 4 -0.558899880354E+03 0.60741E-04 -0.69418E-04 24276 0.721E-02 0.387E-02
DAV: 5 -0.558899876949E+03 0.34043E-05 -0.97468E-05 27192 0.297E-02
29 F= -.55889988E+03 E0= -.55890374E+03 d E =-.812160E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.558954140755E+03 -0.54260E-01 -0.15500E+01 21924 0.102E+01 0.988E-01
DAV: 2 -0.558976009349E+03 -0.21869E-01 -0.32288E-01 26268 0.134E+00 0.633E-01
DAV: 3 -0.558971835455E+03 0.41739E-02 -0.13328E-02 26880 0.392E-01 0.340E-01
DAV: 4 -0.558971129808E+03 0.70565E-03 -0.56042E-03 25464 0.211E-01 0.982E-02
DAV: 5 -0.558971114223E+03 0.15585E-04 -0.91876E-04 26400 0.869E-02 0.429E-02
DAV: 6 -0.558971129218E+03 -0.14996E-04 -0.13600E-04 24852 0.312E-02 0.225E-02
DAV: 7 -0.558971171353E+03 -0.42134E-04 -0.27448E-05 21960 0.177E-02 0.796E-03
DAV: 8 -0.558971222164E+03 -0.50811E-04 -0.10361E-05 17616 0.108E-02 0.433E-03
DAV: 9 -0.558971279567E+03 -0.57403E-04 -0.60510E-06 17250 0.849E-03 0.246E-03
DAV: 10 -0.558971337368E+03 -0.57801E-04 -0.57605E-06 17448 0.751E-03 0.192E-03
DAV: 11 -0.558971376110E+03 -0.38742E-04 -0.51116E-06 17832 0.602E-03 0.133E-03
DAV: 12 -0.558971390979E+03 -0.14870E-04 -0.19402E-06 17940 0.321E-03 0.913E-04
DAV: 13 -0.558971401791E+03 -0.10812E-04 -0.12931E-06 17436 0.214E-03 0.442E-04
DAV: 14 -0.558971407294E+03 -0.55025E-05 -0.65968E-07 16980 0.136E-03
30 F= -.55897141E+03 E0= -.55897527E+03 d E =-.715303E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.558974374436E+03 -0.29726E-02 -0.17241E+00 21924 0.341E+00 0.330E-01
DAV: 2 -0.558976773378E+03 -0.23989E-02 -0.35931E-02 25686 0.446E-01 0.210E-01
DAV: 3 -0.558976312995E+03 0.46038E-03 -0.14873E-03 26268 0.131E-01 0.113E-01
DAV: 4 -0.558976240321E+03 0.72675E-04 -0.62936E-04 25272 0.707E-02 0.330E-02
DAV: 5 -0.558976237524E+03 0.27967E-05 -0.10248E-04 26280 0.290E-02 0.144E-02
DAV: 6 -0.558976238527E+03 -0.10029E-05 -0.13707E-05 17688 0.104E-02
31 F= -.55897624E+03 E0= -.55898010E+03 d E =-.763616E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559030323505E+03 -0.54086E-01 -0.15630E+01 21924 0.103E+01 0.961E-01
DAV: 2 -0.559051982843E+03 -0.21659E-01 -0.32173E-01 25674 0.134E+00 0.613E-01
DAV: 3 -0.559048263937E+03 0.37189E-02 -0.11290E-02 26178 0.333E-01 0.331E-01
DAV: 4 -0.559047660826E+03 0.60311E-03 -0.51148E-03 25440 0.200E-01 0.875E-02
DAV: 5 -0.559047658920E+03 0.19057E-05 -0.79719E-04 27300 0.857E-02 0.373E-02
DAV: 6 -0.559047683659E+03 -0.24739E-04 -0.13453E-04 24684 0.309E-02 0.208E-02
DAV: 7 -0.559047727929E+03 -0.44270E-04 -0.20124E-05 21288 0.161E-02 0.905E-03
DAV: 8 -0.559047784156E+03 -0.56227E-04 -0.83931E-06 17484 0.107E-02 0.379E-03
DAV: 9 -0.559047842509E+03 -0.58353E-04 -0.67248E-06 17424 0.837E-03 0.264E-03
DAV: 10 -0.559047910568E+03 -0.68059E-04 -0.68020E-06 18078 0.791E-03 0.208E-03
DAV: 11 -0.559047942084E+03 -0.31516E-04 -0.43567E-06 18516 0.556E-03 0.113E-03
DAV: 12 -0.559047956698E+03 -0.14614E-04 -0.17947E-06 17400 0.301E-03 0.982E-04
DAV: 13 -0.559047965736E+03 -0.90381E-05 -0.94554E-07 16848 0.188E-03
32 F= -.55904797E+03 E0= -.55905183E+03 d E =-.717272E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559052497386E+03 -0.45407E-02 -0.41605E+00 21924 0.531E+00 0.496E-01
DAV: 2 -0.559058248329E+03 -0.57509E-02 -0.85752E-02 25224 0.691E-01 0.317E-01
DAV: 3 -0.559057255738E+03 0.99259E-03 -0.30088E-03 26028 0.173E-01 0.172E-01
DAV: 4 -0.559057102735E+03 0.15300E-03 -0.13883E-03 25212 0.104E-01 0.461E-02
DAV: 5 -0.559057097638E+03 0.50976E-05 -0.21819E-04 27552 0.447E-02 0.194E-02
DAV: 6 -0.559057102579E+03 -0.49408E-05 -0.35193E-05 23976 0.160E-02
33 F= -.55905710E+03 E0= -.55906097E+03 d E =-.808641E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559102261718E+03 -0.45164E-01 -0.15631E+01 21924 0.103E+01 0.103E+00
DAV: 2 -0.559121227271E+03 -0.18966E-01 -0.31942E-01 26268 0.137E+00 0.698E-01
DAV: 3 -0.559117114965E+03 0.41123E-02 -0.14885E-02 27408 0.384E-01 0.400E-01
DAV: 4 -0.559116377545E+03 0.73742E-03 -0.80937E-03 24264 0.235E-01 0.120E-01
DAV: 5 -0.559116323057E+03 0.54488E-04 -0.11832E-03 27468 0.112E-01 0.480E-02
DAV: 6 -0.559116367379E+03 -0.44322E-04 -0.31903E-04 23808 0.450E-02 0.252E-02
DAV: 7 -0.559116414781E+03 -0.47401E-04 -0.45394E-05 25032 0.191E-02 0.103E-02
DAV: 8 -0.559116465696E+03 -0.50915E-04 -0.63175E-06 16380 0.844E-03 0.480E-03
DAV: 9 -0.559116520042E+03 -0.54346E-04 -0.62994E-06 17532 0.740E-03 0.252E-03
DAV: 10 -0.559116574514E+03 -0.54472E-04 -0.44921E-06 17226 0.567E-03 0.196E-03
DAV: 11 -0.559116610673E+03 -0.36158E-04 -0.31380E-06 18084 0.388E-03 0.127E-03
DAV: 12 -0.559116633570E+03 -0.22898E-04 -0.20525E-06 17700 0.265E-03 0.684E-04
DAV: 13 -0.559116645513E+03 -0.11942E-04 -0.11689E-06 18204 0.175E-03 0.405E-04
DAV: 14 -0.559116650981E+03 -0.54682E-05 -0.64928E-07 16836 0.115E-03
34 F= -.55911665E+03 E0= -.55912052E+03 d E =-.595484E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559118045144E+03 -0.13996E-02 -0.84587E-01 21924 0.239E+00 0.240E-01
DAV: 2 -0.559119065658E+03 -0.10205E-02 -0.17296E-02 25482 0.319E-01 0.162E-01
DAV: 3 -0.559118848484E+03 0.21717E-03 -0.80793E-04 26910 0.894E-02 0.927E-02
DAV: 4 -0.559118812484E+03 0.36000E-04 -0.43587E-04 24342 0.546E-02 0.279E-02
DAV: 5 -0.559118808506E+03 0.39787E-05 -0.63544E-05 27924 0.259E-02
35 F= -.55911881E+03 E0= -.55912267E+03 d E =-.617059E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559164396437E+03 -0.45584E-01 -0.16436E+01 21924 0.105E+01 0.994E-01
DAV: 2 -0.559186553656E+03 -0.22157E-01 -0.32479E-01 27546 0.137E+00 0.645E-01
DAV: 3 -0.559183186963E+03 0.33667E-02 -0.12519E-02 26508 0.353E-01 0.371E-01
DAV: 4 -0.559182816039E+03 0.37092E-03 -0.60381E-03 25296 0.220E-01 0.109E-01
DAV: 5 -0.559182820052E+03 -0.40131E-05 -0.10829E-03 27516 0.977E-02 0.442E-02
DAV: 6 -0.559182835210E+03 -0.15158E-04 -0.16351E-04 24612 0.322E-02 0.240E-02
DAV: 7 -0.559182861963E+03 -0.26753E-04 -0.33320E-05 21354 0.172E-02 0.853E-03
DAV: 8 -0.559182888625E+03 -0.26663E-04 -0.60536E-06 17208 0.849E-03 0.377E-03
DAV: 9 -0.559182915762E+03 -0.27137E-04 -0.42422E-06 17430 0.677E-03 0.232E-03
DAV: 10 -0.559182949912E+03 -0.34150E-04 -0.29997E-06 17370 0.653E-03 0.140E-03
DAV: 11 -0.559182971827E+03 -0.21915E-04 -0.31005E-06 18192 0.478E-03 0.120E-03
DAV: 12 -0.559182979911E+03 -0.80845E-05 -0.89465E-07 17124 0.220E-03
36 F= -.55918298E+03 E0= -.55918685E+03 d E =-.641714E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559186681489E+03 -0.37097E-02 -0.44525E+00 21924 0.545E+00 0.518E-01
DAV: 2 -0.559192670832E+03 -0.59893E-02 -0.88242E-02 26946 0.713E-01 0.336E-01
DAV: 3 -0.559191754823E+03 0.91601E-03 -0.34046E-03 26046 0.184E-01 0.193E-01
DAV: 4 -0.559191659463E+03 0.95360E-04 -0.16647E-03 25416 0.115E-01 0.572E-02
DAV: 5 -0.559191657969E+03 0.14946E-05 -0.29905E-04 27528 0.516E-02 0.231E-02
DAV: 6 -0.559191661504E+03 -0.35356E-05 -0.46136E-05 25020 0.169E-02
37 F= -.55919166E+03 E0= -.55919553E+03 d E =-.728530E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559223936016E+03 -0.32278E-01 -0.20609E+01 21924 0.118E+01 0.110E+00
DAV: 2 -0.559253661084E+03 -0.29725E-01 -0.41633E-01 26952 0.152E+00 0.713E-01
DAV: 3 -0.559249177787E+03 0.44833E-02 -0.13444E-02 26232 0.384E-01 0.407E-01
DAV: 4 -0.559248661697E+03 0.51609E-03 -0.77684E-03 25416 0.246E-01 0.113E-01
DAV: 5 -0.559248627256E+03 0.34441E-04 -0.13523E-03 27108 0.111E-01 0.472E-02
DAV: 6 -0.559248635226E+03 -0.79698E-05 -0.22820E-04 25896 0.396E-02 0.256E-02
DAV: 7 -0.559248661784E+03 -0.26557E-04 -0.33503E-05 22584 0.181E-02 0.106E-02
DAV: 8 -0.559248696653E+03 -0.34869E-04 -0.73172E-06 17856 0.940E-03 0.435E-03
DAV: 9 -0.559248733111E+03 -0.36458E-04 -0.49027E-06 17124 0.706E-03 0.261E-03
DAV: 10 -0.559248782247E+03 -0.49136E-04 -0.41048E-06 17424 0.661E-03 0.200E-03
DAV: 11 -0.559248813671E+03 -0.31424E-04 -0.40153E-06 18108 0.563E-03 0.121E-03
DAV: 12 -0.559248827317E+03 -0.13646E-04 -0.19659E-06 17820 0.329E-03 0.106E-03
DAV: 13 -0.559248834884E+03 -0.75666E-05 -0.82283E-07 16452 0.175E-03
38 F= -.55924883E+03 E0= -.55925270E+03 d E =-.571734E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559249599557E+03 -0.77224E-03 -0.11048E+00 21924 0.272E+00 0.253E-01
DAV: 2 -0.559251176840E+03 -0.15773E-02 -0.22286E-02 26280 0.351E-01 0.165E-01
DAV: 3 -0.559250937724E+03 0.23912E-03 -0.72715E-04 25770 0.892E-02 0.938E-02
DAV: 4 -0.559250915711E+03 0.22013E-04 -0.41679E-04 25356 0.567E-02 0.259E-02
DAV: 5 -0.559250913886E+03 0.18244E-05 -0.70694E-05 24900 0.251E-02
39 F= -.55925091E+03 E0= -.55925478E+03 d E =-.592524E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559275251244E+03 -0.24336E-01 -0.17806E+01 21924 0.110E+01 0.100E+00
DAV: 2 -0.559301359379E+03 -0.26108E-01 -0.35475E-01 26328 0.141E+00 0.701E-01
DAV: 3 -0.559297394031E+03 0.39653E-02 -0.12866E-02 27390 0.387E-01 0.414E-01
DAV: 4 -0.559296825419E+03 0.56861E-03 -0.79511E-03 24312 0.244E-01 0.115E-01
DAV: 5 -0.559296838954E+03 -0.13535E-04 -0.12004E-03 28116 0.102E-01 0.520E-02
DAV: 6 -0.559296852024E+03 -0.13070E-04 -0.25800E-04 24708 0.411E-02 0.246E-02
DAV: 7 -0.559296869096E+03 -0.17072E-04 -0.40321E-05 22356 0.208E-02 0.919E-03
DAV: 8 -0.559296888207E+03 -0.19111E-04 -0.92279E-06 15888 0.855E-03 0.419E-03
DAV: 9 -0.559296903635E+03 -0.15428E-04 -0.33327E-06 16584 0.537E-03 0.191E-03
DAV: 10 -0.559296920000E+03 -0.16365E-04 -0.16695E-06 15696 0.325E-03 0.162E-03
DAV: 11 -0.559296934854E+03 -0.14854E-04 -0.12819E-06 16758 0.277E-03 0.823E-04
DAV: 12 -0.559296945271E+03 -0.10417E-04 -0.11229E-06 17052 0.228E-03 0.106E-03
DAV: 13 -0.559296949110E+03 -0.38393E-05 -0.41538E-07 17112 0.172E-03
40 F= -.55929695E+03 E0= -.55930082E+03 d E =-.460352E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559297186427E+03 -0.24116E-03 -0.30042E-01 21936 0.142E+00 0.129E-01
DAV: 2 -0.559297618721E+03 -0.43229E-03 -0.59872E-03 26088 0.183E-01 0.909E-02
DAV: 3 -0.559297551903E+03 0.66818E-04 -0.21859E-04 26568 0.505E-02 0.534E-02
DAV: 4 -0.559297546076E+03 0.58267E-05 -0.13929E-04 23688 0.322E-02 0.148E-02
DAV: 5 -0.559297546464E+03 -0.38832E-06 -0.19691E-05 19260 0.137E-02
41 F= -.55929755E+03 E0= -.55930141E+03 d E =-.466326E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559312944810E+03 -0.15399E-01 -0.14237E+01 21924 0.979E+00 0.883E-01
DAV: 2 -0.559335883485E+03 -0.22939E-01 -0.30240E-01 26292 0.128E+00 0.568E-01
DAV: 3 -0.559333287812E+03 0.25957E-02 -0.87981E-03 25788 0.296E-01 0.326E-01
DAV: 4 -0.559332992363E+03 0.29545E-03 -0.47532E-03 25572 0.198E-01 0.861E-02
DAV: 5 -0.559332994804E+03 -0.24413E-05 -0.83939E-04 27768 0.864E-02 0.373E-02
DAV: 6 -0.559333000198E+03 -0.53940E-05 -0.14423E-04 24540 0.298E-02 0.201E-02
DAV: 7 -0.559333010654E+03 -0.10455E-04 -0.17149E-05 18900 0.145E-02 0.825E-03
DAV: 8 -0.559333027539E+03 -0.16886E-04 -0.71520E-06 16176 0.825E-03 0.348E-03
DAV: 9 -0.559333042803E+03 -0.15264E-04 -0.29165E-06 16644 0.587E-03 0.176E-03
DAV: 10 -0.559333062626E+03 -0.19823E-04 -0.23941E-06 17088 0.514E-03 0.194E-03
DAV: 11 -0.559333074231E+03 -0.11605E-04 -0.15996E-06 17424 0.410E-03 0.877E-04
DAV: 12 -0.559333081297E+03 -0.70653E-05 -0.11314E-06 16392 0.284E-03
42 F= -.55933308E+03 E0= -.55933695E+03 d E =-.355348E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559333159453E+03 -0.85222E-04 -0.11160E-01 22356 0.867E-01 0.779E-02
DAV: 2 -0.559333339166E+03 -0.17971E-03 -0.23902E-03 26652 0.114E-01 0.505E-02
DAV: 3 -0.559333320231E+03 0.18935E-04 -0.68985E-05 25866 0.263E-02 0.292E-02
DAV: 4 -0.559333320924E+03 -0.69324E-06 -0.37928E-05 23100 0.178E-02
43 F= -.55933332E+03 E0= -.55933719E+03 d E =-.357745E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559351209671E+03 -0.17889E-01 -0.11259E+01 21924 0.867E+00 0.851E-01
DAV: 2 -0.559368098918E+03 -0.16889E-01 -0.25508E-01 25884 0.119E+00 0.539E-01
DAV: 3 -0.559365569998E+03 0.25289E-02 -0.97109E-03 26160 0.299E-01 0.322E-01
DAV: 4 -0.559365296073E+03 0.27393E-03 -0.50429E-03 24720 0.195E-01 0.104E-01
DAV: 5 -0.559365287544E+03 0.85290E-05 -0.84317E-04 28488 0.913E-02 0.363E-02
DAV: 6 -0.559365300720E+03 -0.13176E-04 -0.14296E-04 24540 0.312E-02 0.189E-02
DAV: 7 -0.559365321874E+03 -0.21154E-04 -0.23398E-05 21252 0.146E-02 0.672E-03
DAV: 8 -0.559365342357E+03 -0.20484E-04 -0.50316E-06 16320 0.755E-03 0.320E-03
DAV: 9 -0.559365365163E+03 -0.22806E-04 -0.24191E-06 16644 0.515E-03 0.168E-03
DAV: 10 -0.559365395454E+03 -0.30291E-04 -0.24060E-06 17376 0.531E-03 0.140E-03
DAV: 11 -0.559365415141E+03 -0.19688E-04 -0.21511E-06 17952 0.414E-03 0.946E-04
DAV: 12 -0.559365426131E+03 -0.10990E-04 -0.12065E-06 17412 0.276E-03 0.747E-04
DAV: 13 -0.559365430787E+03 -0.46556E-05 -0.50445E-07 16884 0.156E-03
44 F= -.55936543E+03 E0= -.55936930E+03 d E =-.321099E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559365886323E+03 -0.46019E-03 -0.57372E-01 21936 0.196E+00 0.191E-01
DAV: 2 -0.559366728319E+03 -0.84200E-03 -0.12817E-02 25536 0.267E-01 0.121E-01
DAV: 3 -0.559366603869E+03 0.12445E-03 -0.49585E-04 25512 0.673E-02 0.722E-02
DAV: 4 -0.559366594474E+03 0.93954E-05 -0.25058E-04 24168 0.436E-02 0.230E-02
DAV: 5 -0.559366595512E+03 -0.10381E-05 -0.40468E-05 25920 0.202E-02
45 F= -.55936660E+03 E0= -.55937046E+03 d E =-.332746E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559382562989E+03 -0.15969E-01 -0.10771E+01 21924 0.845E+00 0.786E-01
DAV: 2 -0.559399157727E+03 -0.16595E-01 -0.23146E-01 25434 0.113E+00 0.516E-01
DAV: 3 -0.559396998211E+03 0.21595E-02 -0.78219E-03 25416 0.275E-01 0.304E-01
DAV: 4 -0.559396612539E+03 0.38567E-03 -0.45889E-03 24696 0.190E-01 0.912E-02
DAV: 5 -0.559396595149E+03 0.17390E-04 -0.73695E-04 27384 0.864E-02 0.371E-02
DAV: 6 -0.559396616562E+03 -0.21413E-04 -0.17356E-04 24396 0.329E-02 0.193E-02
DAV: 7 -0.559396642037E+03 -0.25475E-04 -0.17581E-05 17784 0.136E-02 0.833E-03
DAV: 8 -0.559396677319E+03 -0.35282E-04 -0.75864E-06 16560 0.749E-03 0.349E-03
DAV: 9 -0.559396710871E+03 -0.33552E-04 -0.33317E-06 16776 0.540E-03 0.190E-03
DAV: 10 -0.559396755462E+03 -0.44591E-04 -0.42082E-06 17184 0.481E-03 0.223E-03
DAV: 11 -0.559396777846E+03 -0.22384E-04 -0.19810E-06 18096 0.329E-03 0.108E-03
DAV: 12 -0.559396793713E+03 -0.15867E-04 -0.17358E-06 17148 0.252E-03 0.103E-03
DAV: 13 -0.559396801143E+03 -0.74303E-05 -0.73463E-07 17244 0.204E-03
46 F= -.55939680E+03 E0= -.55940067E+03 d E =-.302056E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559397271648E+03 -0.47794E-03 -0.10120E+00 21936 0.259E+00 0.240E-01
DAV: 2 -0.559398808713E+03 -0.15371E-02 -0.21656E-02 24816 0.346E-01 0.159E-01
DAV: 3 -0.559398605459E+03 0.20325E-03 -0.73239E-04 24744 0.844E-02 0.939E-02
DAV: 4 -0.559398576806E+03 0.28653E-04 -0.44723E-04 23982 0.590E-02 0.285E-02
DAV: 5 -0.559398574529E+03 0.22760E-05 -0.71647E-05 27372 0.273E-02
47 F= -.55939857E+03 E0= -.55940244E+03 d E =-.319790E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559407581386E+03 -0.90046E-02 -0.11007E+01 21924 0.854E+00 0.745E-01
DAV: 2 -0.559425180360E+03 -0.17599E-01 -0.23245E-01 25374 0.111E+00 0.494E-01
DAV: 3 -0.559422912774E+03 0.22676E-02 -0.70788E-03 26238 0.264E-01 0.281E-01
DAV: 4 -0.559422512754E+03 0.40002E-03 -0.35172E-03 25836 0.173E-01 0.741E-02
DAV: 5 -0.559422529421E+03 -0.16667E-04 -0.62611E-04 26136 0.723E-02 0.331E-02
DAV: 6 -0.559422541750E+03 -0.12329E-04 -0.11339E-04 25632 0.285E-02 0.179E-02
DAV: 7 -0.559422564164E+03 -0.22414E-04 -0.19381E-05 19584 0.152E-02 0.758E-03
DAV: 8 -0.559422594831E+03 -0.30667E-04 -0.71124E-06 16332 0.785E-03 0.362E-03
DAV: 9 -0.559422623726E+03 -0.28894E-04 -0.28198E-06 16884 0.500E-03 0.188E-03
DAV: 10 -0.559422665497E+03 -0.41771E-04 -0.37308E-06 17394 0.446E-03 0.224E-03
DAV: 11 -0.559422690264E+03 -0.24767E-04 -0.20413E-06 17724 0.351E-03 0.113E-03
DAV: 12 -0.559422709366E+03 -0.19103E-04 -0.22126E-06 17436 0.315E-03 0.135E-03
DAV: 13 -0.559422717002E+03 -0.76362E-05 -0.79835E-07 17136 0.200E-03
48 F= -.55942272E+03 E0= -.55942658E+03 d E =-.241425E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559422787618E+03 -0.78252E-04 -0.14370E-01 22524 0.975E-01 0.848E-02
DAV: 2 -0.559423012830E+03 -0.22521E-03 -0.30441E-03 25884 0.127E-01 0.566E-02
DAV: 3 -0.559422984328E+03 0.28502E-04 -0.92086E-05 25824 0.303E-02 0.322E-02
DAV: 4 -0.559422982388E+03 0.19396E-05 -0.46779E-05 23868 0.199E-02
49 F= -.55942298E+03 E0= -.55942685E+03 d E =-.244079E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559436603980E+03 -0.13620E-01 -0.82519E+00 21924 0.743E+00 0.633E-01
DAV: 2 -0.559449383027E+03 -0.12779E-01 -0.16633E-01 26046 0.949E-01 0.440E-01
DAV: 3 -0.559447796570E+03 0.15865E-02 -0.47492E-03 26286 0.232E-01 0.258E-01
DAV: 4 -0.559447602410E+03 0.19416E-03 -0.29696E-03 25548 0.154E-01 0.683E-02
DAV: 5 -0.559447624009E+03 -0.21600E-04 -0.47072E-04 25380 0.622E-02 0.342E-02
DAV: 6 -0.559447625275E+03 -0.12661E-05 -0.10186E-04 25464 0.261E-02 0.164E-02
DAV: 7 -0.559447628034E+03 -0.27589E-05 -0.14393E-05 18432 0.129E-02
50 F= -.55944763E+03 E0= -.55945149E+03 d E =-.246456E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559448193948E+03 -0.56867E-03 -0.25461E+00 21924 0.413E+00 0.351E-01
DAV: 2 -0.559452100726E+03 -0.39068E-02 -0.51314E-02 25956 0.527E-01 0.244E-01
DAV: 3 -0.559451612796E+03 0.48793E-03 -0.14801E-03 26388 0.129E-01 0.142E-01
DAV: 4 -0.559451566230E+03 0.46567E-04 -0.91611E-04 24708 0.855E-02 0.377E-02
DAV: 5 -0.559451576957E+03 -0.10727E-04 -0.14508E-04 24996 0.346E-02 0.191E-02
DAV: 6 -0.559451581023E+03 -0.40661E-05 -0.30703E-05 22092 0.146E-02
51 F= -.55945158E+03 E0= -.55945545E+03 d E =-.285986E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559460013226E+03 -0.84363E-02 -0.85976E+00 21924 0.756E+00 0.662E-01
DAV: 2 -0.559473840284E+03 -0.13827E-01 -0.18467E-01 24738 0.100E+00 0.441E-01
DAV: 3 -0.559472143954E+03 0.16963E-02 -0.55834E-03 26616 0.229E-01 0.251E-01
DAV: 4 -0.559471899526E+03 0.24443E-03 -0.29207E-03 24924 0.158E-01 0.675E-02
DAV: 5 -0.559471929588E+03 -0.30062E-04 -0.52849E-04 26640 0.681E-02 0.324E-02
DAV: 6 -0.559471938873E+03 -0.92845E-05 -0.97566E-05 25608 0.258E-02
52 F= -.55947194E+03 E0= -.55947581E+03 d E =-.203579E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559472038217E+03 -0.10863E-03 -0.35809E-01 21948 0.154E+00 0.137E-01
DAV: 2 -0.559472623038E+03 -0.58482E-03 -0.78275E-03 25152 0.206E-01 0.903E-02
DAV: 3 -0.559472560778E+03 0.62260E-04 -0.23552E-04 27744 0.470E-02 0.515E-02
DAV: 4 -0.559472566873E+03 -0.60943E-05 -0.12182E-04 23688 0.327E-02 0.140E-02
DAV: 5 -0.559472577116E+03 -0.10243E-04 -0.22083E-05 20760 0.146E-02 0.678E-03
DAV: 6 -0.559472585482E+03 -0.83655E-05 -0.51932E-06 16752 0.637E-03
53 F= -.55947259E+03 E0= -.55947645E+03 d E =-.210045E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559479029423E+03 -0.64523E-02 -0.82343E+00 21924 0.739E+00 0.657E-01
DAV: 2 -0.559492573891E+03 -0.13544E-01 -0.18229E-01 26082 0.100E+00 0.427E-01
DAV: 3 -0.559491103456E+03 0.14704E-02 -0.54076E-03 26160 0.219E-01 0.255E-01
DAV: 4 -0.559490944542E+03 0.15891E-03 -0.30547E-03 24948 0.160E-01 0.727E-02
DAV: 5 -0.559490962511E+03 -0.17968E-04 -0.56691E-04 26472 0.727E-02 0.303E-02
DAV: 6 -0.559490967703E+03 -0.51926E-05 -0.96898E-05 25392 0.249E-02
54 F= -.55949097E+03 E0= -.55949483E+03 d E =-.183822E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559490985357E+03 -0.22847E-04 -0.71146E-01 21924 0.217E+00 0.195E-01
DAV: 2 -0.559492167146E+03 -0.11818E-02 -0.15890E-02 26292 0.296E-01 0.126E-01
DAV: 3 -0.559492048763E+03 0.11838E-03 -0.47230E-04 26616 0.646E-02 0.748E-02
DAV: 4 -0.559492050424E+03 -0.16608E-05 -0.25932E-04 24432 0.472E-02 0.214E-02
DAV: 5 -0.559492058405E+03 -0.79818E-05 -0.48518E-05 26592 0.214E-02
55 F= -.55949206E+03 E0= -.55949593E+03 d E =-.194729E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559500694937E+03 -0.86445E-02 -0.77089E+00 21924 0.717E+00 0.607E-01
DAV: 2 -0.559513024473E+03 -0.12330E-01 -0.16139E-01 24450 0.940E-01 0.423E-01
DAV: 3 -0.559511586611E+03 0.14379E-02 -0.43510E-03 27780 0.217E-01 0.251E-01
DAV: 4 -0.559511411247E+03 0.17536E-03 -0.32561E-03 24678 0.166E-01 0.665E-02
DAV: 5 -0.559511415074E+03 -0.38272E-05 -0.58046E-04 27228 0.733E-02 0.332E-02
DAV: 6 -0.559511422996E+03 -0.79223E-05 -0.13556E-04 24636 0.293E-02 0.166E-02
DAV: 7 -0.559511429964E+03 -0.69681E-05 -0.15505E-05 19536 0.133E-02
56 F= -.55951143E+03 E0= -.55951530E+03 d E =-.193716E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559511291450E+03 0.13155E-03 -0.20781E+00 21924 0.372E+00 0.316E-01
DAV: 2 -0.559514579473E+03 -0.32880E-02 -0.43659E-02 24168 0.489E-01 0.220E-01
DAV: 3 -0.559514191030E+03 0.38844E-03 -0.11886E-03 27570 0.113E-01 0.131E-01
DAV: 4 -0.559514153673E+03 0.37356E-04 -0.89475E-04 24468 0.869E-02 0.350E-02
DAV: 5 -0.559514160127E+03 -0.64537E-05 -0.15949E-04 26604 0.386E-02 0.175E-02
DAV: 6 -0.559514166625E+03 -0.64983E-05 -0.37113E-05 23496 0.154E-02
57 F= -.55951417E+03 E0= -.55951803E+03 d E =-.221082E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559519205170E+03 -0.50450E-02 -0.80314E+00 21924 0.727E+00 0.612E-01
DAV: 2 -0.559532866365E+03 -0.13661E-01 -0.17513E-01 24144 0.961E-01 0.413E-01
DAV: 3 -0.559531263721E+03 0.16026E-02 -0.41402E-03 26736 0.206E-01 0.237E-01
DAV: 4 -0.559531050527E+03 0.21319E-03 -0.30816E-03 25068 0.161E-01 0.603E-02
DAV: 5 -0.559531054196E+03 -0.36689E-05 -0.59694E-04 25476 0.708E-02 0.325E-02
DAV: 6 -0.559531061454E+03 -0.72581E-05 -0.13700E-04 25404 0.290E-02 0.174E-02
DAV: 7 -0.559531066325E+03 -0.48706E-05 -0.17056E-05 20844 0.142E-02
58 F= -.55953107E+03 E0= -.55953493E+03 d E =-.168997E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559530872028E+03 0.18943E-03 -0.96464E-01 21924 0.252E+00 0.213E-01
DAV: 2 -0.559532500788E+03 -0.16288E-02 -0.21212E-02 24600 0.335E-01 0.143E-01
DAV: 3 -0.559532307239E+03 0.19355E-03 -0.49584E-04 27372 0.712E-02 0.828E-02
DAV: 4 -0.559532294555E+03 0.12684E-04 -0.37669E-04 24192 0.565E-02 0.211E-02
DAV: 5 -0.559532300535E+03 -0.59794E-05 -0.73861E-05 24924 0.249E-02
59 F= -.55953230E+03 E0= -.55953617E+03 d E =-.181339E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559537329175E+03 -0.50346E-02 -0.81074E+00 21924 0.728E+00 0.617E-01
DAV: 2 -0.559550399461E+03 -0.13070E-01 -0.17243E-01 24408 0.958E-01 0.421E-01
DAV: 3 -0.559548888669E+03 0.15108E-02 -0.45329E-03 26868 0.214E-01 0.247E-01
DAV: 4 -0.559548753053E+03 0.13562E-03 -0.29861E-03 24672 0.156E-01 0.659E-02
DAV: 5 -0.559548775071E+03 -0.22019E-04 -0.53524E-04 25512 0.669E-02 0.308E-02
DAV: 6 -0.559548781596E+03 -0.65251E-05 -0.11496E-04 25632 0.266E-02 0.164E-02
DAV: 7 -0.559548786795E+03 -0.51986E-05 -0.13898E-05 19536 0.123E-02
60 F= -.55954879E+03 E0= -.55955265E+03 d E =-.164863E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559547871789E+03 0.90981E-03 -0.21830E+00 21924 0.378E+00 0.320E-01
DAV: 2 -0.559551329386E+03 -0.34576E-02 -0.46225E-02 24672 0.497E-01 0.218E-01
DAV: 3 -0.559550923252E+03 0.40613E-03 -0.12390E-03 26994 0.112E-01 0.127E-01
DAV: 4 -0.559550894617E+03 0.28635E-04 -0.79116E-04 24372 0.807E-02 0.339E-02
DAV: 5 -0.559550905027E+03 -0.10410E-04 -0.14148E-04 25140 0.343E-02 0.160E-02
DAV: 6 -0.559550909186E+03 -0.41590E-05 -0.30413E-05 24036 0.138E-02
61 F= -.55955091E+03 E0= -.55955478E+03 d E =-.186087E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559557341651E+03 -0.64366E-02 -0.72759E+00 21924 0.688E+00 0.583E-01
DAV: 2 -0.559568505779E+03 -0.11164E-01 -0.15111E-01 24276 0.905E-01 0.399E-01
DAV: 3 -0.559567178732E+03 0.13270E-02 -0.40917E-03 26520 0.197E-01 0.229E-01
DAV: 4 -0.559567013723E+03 0.16501E-03 -0.24932E-03 25044 0.140E-01 0.565E-02
DAV: 5 -0.559567033975E+03 -0.20251E-04 -0.44694E-04 27132 0.623E-02 0.274E-02
DAV: 6 -0.559567039630E+03 -0.56554E-05 -0.77449E-05 24828 0.224E-02
62 F= -.55956704E+03 E0= -.55957091E+03 d E =-.161304E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559565260744E+03 0.17732E-02 -0.40969E+00 21924 0.517E+00 0.439E-01
DAV: 2 -0.559571517073E+03 -0.62563E-02 -0.85089E-02 24084 0.680E-01 0.300E-01
DAV: 3 -0.559570771792E+03 0.74528E-03 -0.23051E-03 26562 0.148E-01 0.172E-01
DAV: 4 -0.559570685890E+03 0.85902E-04 -0.14153E-03 24768 0.105E-01 0.428E-02
DAV: 5 -0.559570702809E+03 -0.16919E-04 -0.25230E-04 26916 0.474E-02 0.207E-02
DAV: 6 -0.559570712742E+03 -0.99333E-05 -0.45142E-05 23556 0.171E-02
63 F= -.55957071E+03 E0= -.55957458E+03 d E =-.198036E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559575116051E+03 -0.44132E-02 -0.91299E+00 21924 0.769E+00 0.656E-01
DAV: 2 -0.559589790961E+03 -0.14675E-01 -0.19380E-01 24174 0.102E+00 0.440E-01
DAV: 3 -0.559588074354E+03 0.17166E-02 -0.54013E-03 25740 0.221E-01 0.247E-01
DAV: 4 -0.559587902825E+03 0.17153E-03 -0.28881E-03 25800 0.155E-01 0.628E-02
DAV: 5 -0.559587939437E+03 -0.36612E-04 -0.53576E-04 26280 0.666E-02 0.294E-02
DAV: 6 -0.559587945005E+03 -0.55680E-05 -0.74967E-05 25200 0.224E-02
64 F= -.55958795E+03 E0= -.55959181E+03 d E =-.172323E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559586656220E+03 0.12832E-02 -0.27696E+00 21924 0.424E+00 0.362E-01
DAV: 2 -0.559591108354E+03 -0.44521E-02 -0.58927E-02 25044 0.563E-01 0.242E-01
DAV: 3 -0.559590586955E+03 0.52140E-03 -0.16241E-03 25596 0.121E-01 0.135E-01
DAV: 4 -0.559590546097E+03 0.40858E-04 -0.86819E-04 25584 0.851E-02 0.343E-02
DAV: 5 -0.559590564723E+03 -0.18626E-04 -0.16334E-04 26112 0.368E-02 0.162E-02
DAV: 6 -0.559590571842E+03 -0.71184E-05 -0.21494E-05 22728 0.124E-02
65 F= -.55959057E+03 E0= -.55959444E+03 d E =-.198591E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559594684782E+03 -0.41201E-02 -0.96271E+00 21924 0.788E+00 0.657E-01
DAV: 2 -0.559609680571E+03 -0.14996E-01 -0.19686E-01 23718 0.103E+00 0.457E-01
DAV: 3 -0.559607845990E+03 0.18346E-02 -0.54158E-03 26784 0.238E-01 0.261E-01
DAV: 4 -0.559607626927E+03 0.21906E-03 -0.37677E-03 25020 0.178E-01 0.676E-02
DAV: 5 -0.559607635688E+03 -0.87616E-05 -0.68472E-04 27312 0.793E-02 0.355E-02
DAV: 6 -0.559607645303E+03 -0.96150E-05 -0.13642E-04 24348 0.297E-02 0.184E-02
DAV: 7 -0.559607656513E+03 -0.11210E-04 -0.15047E-05 18180 0.130E-02 0.762E-03
DAV: 8 -0.559607673660E+03 -0.17146E-04 -0.67101E-06 16464 0.733E-03 0.335E-03
DAV: 9 -0.559607689429E+03 -0.15770E-04 -0.20715E-06 16272 0.520E-03 0.154E-03
DAV: 10 -0.559607710660E+03 -0.21231E-04 -0.26336E-06 17130 0.496E-03 0.224E-03
DAV: 11 -0.559607722000E+03 -0.11340E-04 -0.13144E-06 16980 0.364E-03 0.874E-04
DAV: 12 -0.559607732726E+03 -0.10727E-04 -0.13781E-06 16860 0.270E-03 0.129E-03
DAV: 13 -0.559607737661E+03 -0.49349E-05 -0.55580E-07 17304 0.228E-03
66 F= -.55960774E+03 E0= -.55961160E+03 d E =-.171658E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559606914921E+03 0.81781E-03 -0.23348E+00 21924 0.388E+00 0.323E-01
DAV: 2 -0.559610496314E+03 -0.35814E-02 -0.47383E-02 24012 0.504E-01 0.225E-01
DAV: 3 -0.559610055819E+03 0.44050E-03 -0.13180E-03 25314 0.118E-01 0.128E-01
DAV: 4 -0.559610009764E+03 0.46055E-04 -0.91415E-04 24912 0.874E-02 0.332E-02
DAV: 5 -0.559610011208E+03 -0.14447E-05 -0.16520E-04 27240 0.389E-02 0.175E-02
DAV: 6 -0.559610012743E+03 -0.15346E-05 -0.32805E-05 23628 0.146E-02
67 F= -.55961001E+03 E0= -.55961388E+03 d E =-.194409E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559611448200E+03 -0.14370E-02 -0.10874E+01 21924 0.833E+00 0.697E-01
DAV: 2 -0.559628264028E+03 -0.16816E-01 -0.21889E-01 24246 0.107E+00 0.478E-01
DAV: 3 -0.559626014485E+03 0.22495E-02 -0.57814E-03 26628 0.248E-01 0.263E-01
DAV: 4 -0.559625775742E+03 0.23874E-03 -0.37799E-03 25056 0.173E-01 0.650E-02
DAV: 5 -0.559625786422E+03 -0.10681E-04 -0.63729E-04 25452 0.758E-02 0.331E-02
DAV: 6 -0.559625801246E+03 -0.14824E-04 -0.12966E-04 25584 0.292E-02 0.177E-02
DAV: 7 -0.559625812400E+03 -0.11154E-04 -0.17320E-05 20196 0.138E-02 0.815E-03
DAV: 8 -0.559625830629E+03 -0.18229E-04 -0.63054E-06 16788 0.679E-03 0.364E-03
DAV: 9 -0.559625846786E+03 -0.16157E-04 -0.18827E-06 16368 0.477E-03 0.155E-03
DAV: 10 -0.559625869628E+03 -0.22842E-04 -0.30253E-06 17484 0.461E-03 0.233E-03
DAV: 11 -0.559625882249E+03 -0.12621E-04 -0.11874E-06 17052 0.312E-03 0.902E-04
DAV: 12 -0.559625893497E+03 -0.11248E-04 -0.15706E-06 17568 0.251E-03 0.118E-03
DAV: 13 -0.559625898024E+03 -0.45271E-05 -0.49747E-07 17316 0.192E-03
68 F= -.55962590E+03 E0= -.55962976E+03 d E =-.158853E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559625419786E+03 0.47371E-03 -0.10918E+00 21924 0.264E+00 0.220E-01
DAV: 2 -0.559627083196E+03 -0.16634E-02 -0.21874E-02 24588 0.340E-01 0.152E-01
DAV: 3 -0.559626860388E+03 0.22281E-03 -0.57875E-04 26124 0.785E-02 0.834E-02
DAV: 4 -0.559626845931E+03 0.14457E-04 -0.37880E-04 25440 0.548E-02 0.205E-02
DAV: 5 -0.559626846943E+03 -0.10124E-05 -0.64244E-05 24414 0.239E-02
69 F= -.55962685E+03 E0= -.55963071E+03 d E =-.168342E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559624224938E+03 0.26210E-02 -0.11475E+01 21924 0.855E+00 0.730E-01
DAV: 2 -0.559642722515E+03 -0.18498E-01 -0.23959E-01 24426 0.112E+00 0.489E-01
DAV: 3 -0.559640473855E+03 0.22487E-02 -0.58819E-03 25470 0.242E-01 0.273E-01
DAV: 4 -0.559640181666E+03 0.29219E-03 -0.36645E-03 25440 0.174E-01 0.659E-02
DAV: 5 -0.559640211759E+03 -0.30093E-04 -0.64848E-04 25608 0.736E-02 0.328E-02
DAV: 6 -0.559640226696E+03 -0.14937E-04 -0.11437E-04 25632 0.276E-02 0.175E-02
DAV: 7 -0.559640243400E+03 -0.16704E-04 -0.13725E-05 18588 0.130E-02 0.765E-03
DAV: 8 -0.559640268992E+03 -0.25592E-04 -0.79089E-06 16860 0.776E-03 0.358E-03
DAV: 9 -0.559640289384E+03 -0.20392E-04 -0.21215E-06 16728 0.480E-03 0.170E-03
DAV: 10 -0.559640317704E+03 -0.28320E-04 -0.35382E-06 17346 0.479E-03 0.252E-03
DAV: 11 -0.559640331767E+03 -0.14063E-04 -0.13522E-06 17496 0.340E-03 0.109E-03
DAV: 12 -0.559640347871E+03 -0.16104E-04 -0.20354E-06 17292 0.298E-03 0.130E-03
DAV: 13 -0.559640355397E+03 -0.75258E-05 -0.71506E-07 17196 0.189E-03
70 F= -.55964036E+03 E0= -.55964422E+03 d E =-.135085E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559640239015E+03 0.10886E-03 -0.25722E-01 22356 0.128E+00 0.108E-01
DAV: 2 -0.559640639253E+03 -0.40024E-03 -0.52987E-03 25500 0.166E-01 0.730E-02
DAV: 3 -0.559640591064E+03 0.48189E-04 -0.13217E-04 25392 0.363E-02 0.401E-02
DAV: 4 -0.559640590384E+03 0.67991E-06 -0.80437E-05 25020 0.257E-02
71 F= -.55964059E+03 E0= -.55964446E+03 d E =-.137434E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559641653308E+03 -0.10622E-02 -0.10150E+01 21924 0.802E+00 0.683E-01
DAV: 2 -0.559656914632E+03 -0.15261E-01 -0.20233E-01 23610 0.104E+00 0.460E-01
DAV: 3 -0.559655195000E+03 0.17196E-02 -0.57235E-03 25704 0.230E-01 0.255E-01
DAV: 4 -0.559654959606E+03 0.23539E-03 -0.32074E-03 25212 0.159E-01 0.616E-02
DAV: 5 -0.559654970141E+03 -0.10534E-04 -0.55802E-04 27444 0.713E-02 0.315E-02
DAV: 6 -0.559654979367E+03 -0.92265E-05 -0.99856E-05 24492 0.263E-02
72 F= -.55965498E+03 E0= -.55965885E+03 d E =-.143890E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559654438363E+03 0.53178E-03 -0.12646E+00 21924 0.283E+00 0.241E-01
DAV: 2 -0.559656329171E+03 -0.18908E-02 -0.25184E-02 23442 0.367E-01 0.163E-01
DAV: 3 -0.559656116536E+03 0.21263E-03 -0.71762E-04 26760 0.810E-02 0.891E-02
DAV: 4 -0.559656101472E+03 0.15064E-04 -0.39349E-04 24156 0.558E-02 0.214E-02
DAV: 5 -0.559656113525E+03 -0.12053E-04 -0.68418E-05 25956 0.252E-02 0.113E-02
DAV: 6 -0.559656125260E+03 -0.11734E-04 -0.11098E-05 16764 0.941E-03 0.603E-03
DAV: 7 -0.559656142101E+03 -0.16841E-04 -0.28804E-06 16578 0.513E-03 0.206E-03
DAV: 8 -0.559656157635E+03 -0.15534E-04 -0.14493E-06 16344 0.346E-03 0.128E-03
DAV: 9 -0.559656176741E+03 -0.19106E-04 -0.12743E-06 16860 0.297E-03 0.725E-04
DAV: 10 -0.559656190610E+03 -0.13868E-04 -0.12106E-06 17796 0.265E-03 0.645E-04
DAV: 11 -0.559656197148E+03 -0.65388E-05 -0.63122E-07 17256 0.175E-03
73 F= -.55965620E+03 E0= -.55966006E+03 d E =-.156068E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559656566454E+03 -0.37584E-03 -0.79760E+00 21924 0.712E+00 0.614E-01
DAV: 2 -0.559669260455E+03 -0.12694E-01 -0.16702E-01 23988 0.942E-01 0.401E-01
DAV: 3 -0.559667936725E+03 0.13237E-02 -0.52409E-03 25284 0.201E-01 0.221E-01
DAV: 4 -0.559667722738E+03 0.21399E-03 -0.20751E-03 25224 0.137E-01 0.551E-02
DAV: 5 -0.559667748884E+03 -0.26145E-04 -0.42085E-04 26688 0.573E-02 0.261E-02
DAV: 6 -0.559667751001E+03 -0.21176E-05 -0.67320E-05 24912 0.216E-02
74 F= -.55966775E+03 E0= -.55967162E+03 d E =-.115539E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559667505914E+03 0.24297E-03 -0.47715E-01 21960 0.174E+00 0.151E-01
DAV: 2 -0.559668267595E+03 -0.76168E-03 -0.10040E-02 23904 0.231E-01 0.981E-02
DAV: 3 -0.559668192477E+03 0.75118E-04 -0.31377E-04 26592 0.491E-02 0.536E-02
DAV: 4 -0.559668194127E+03 -0.16506E-05 -0.11914E-04 24066 0.333E-02 0.132E-02
DAV: 5 -0.559668204044E+03 -0.99168E-05 -0.23894E-05 19572 0.141E-02
75 F= -.55966820E+03 E0= -.55967207E+03 d E =-.120069E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559667685231E+03 0.50890E-03 -0.68345E+00 21924 0.660E+00 0.574E-01
DAV: 2 -0.559678458982E+03 -0.10774E-01 -0.14378E-01 23562 0.868E-01 0.380E-01
DAV: 3 -0.559677154324E+03 0.13047E-02 -0.43937E-03 25548 0.202E-01 0.211E-01
DAV: 4 -0.559676961979E+03 0.19234E-03 -0.21622E-03 25320 0.135E-01 0.536E-02
DAV: 5 -0.559676989697E+03 -0.27718E-04 -0.40551E-04 27024 0.579E-02 0.269E-02
DAV: 6 -0.559677000891E+03 -0.11193E-04 -0.65274E-05 24672 0.206E-02 0.139E-02
DAV: 7 -0.559677015609E+03 -0.14719E-04 -0.83828E-06 17652 0.101E-02 0.516E-03
DAV: 8 -0.559677032946E+03 -0.17337E-04 -0.44822E-06 17028 0.601E-03 0.264E-03
DAV: 9 -0.559677047559E+03 -0.14613E-04 -0.13748E-06 16296 0.408E-03 0.134E-03
DAV: 10 -0.559677066394E+03 -0.18834E-04 -0.16614E-06 17328 0.377E-03 0.155E-03
DAV: 11 -0.559677077493E+03 -0.11100E-04 -0.87336E-07 16920 0.255E-03 0.759E-04
DAV: 12 -0.559677090839E+03 -0.13345E-04 -0.13253E-06 17340 0.256E-03 0.107E-03
DAV: 13 -0.559677095331E+03 -0.44919E-05 -0.49412E-07 17328 0.174E-03
76 F= -.55967710E+03 E0= -.55968096E+03 d E =-.889129E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559677093354E+03 -0.25153E-05 -0.40977E-02 23016 0.511E-01 0.441E-02
DAV: 2 -0.559677154736E+03 -0.61382E-04 -0.85444E-04 25260 0.669E-02 0.294E-02
DAV: 3 -0.559677147908E+03 0.68284E-05 -0.24313E-05 20928 0.155E-02
77 F= -.55967715E+03 E0= -.55968101E+03 d E =-.894386E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559678122164E+03 -0.96743E-03 -0.60917E+00 21924 0.624E+00 0.531E-01
DAV: 2 -0.559687560743E+03 -0.94386E-02 -0.12338E-01 24006 0.808E-01 0.356E-01
DAV: 3 -0.559686457178E+03 0.11036E-02 -0.38530E-03 25764 0.192E-01 0.194E-01
DAV: 4 -0.559686317219E+03 0.13996E-03 -0.18879E-03 25164 0.121E-01 0.491E-02
DAV: 5 -0.559686330320E+03 -0.13101E-04 -0.31273E-04 27108 0.506E-02 0.255E-02
DAV: 6 -0.559686338137E+03 -0.78171E-05 -0.52631E-05 24624 0.184E-02
78 F= -.55968634E+03 E0= -.55969020E+03 d E =-.919023E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559686197512E+03 0.13281E-03 -0.29956E-01 21960 0.138E+00 0.118E-01
DAV: 2 -0.559686666643E+03 -0.46913E-03 -0.61309E-03 23664 0.180E-01 0.792E-02
DAV: 3 -0.559686618187E+03 0.48456E-04 -0.19090E-04 28056 0.431E-02 0.432E-02
DAV: 4 -0.559686625680E+03 -0.74936E-05 -0.92817E-05 23778 0.272E-02
79 F= -.55968663E+03 E0= -.55969049E+03 d E =-.947777E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559688755706E+03 -0.21375E-02 -0.53335E+00 21924 0.580E+00 0.520E-01
DAV: 2 -0.559696871881E+03 -0.81162E-02 -0.11096E-01 24294 0.760E-01 0.330E-01
DAV: 3 -0.559695784851E+03 0.10870E-02 -0.32146E-03 25368 0.172E-01 0.176E-01
DAV: 4 -0.559695666280E+03 0.11857E-03 -0.15713E-03 26388 0.110E-01 0.452E-02
DAV: 5 -0.559695692975E+03 -0.26695E-04 -0.25834E-04 25008 0.455E-02 0.205E-02
DAV: 6 -0.559695705855E+03 -0.12881E-04 -0.29999E-05 22332 0.147E-02 0.110E-02
DAV: 7 -0.559695728893E+03 -0.23038E-04 -0.63695E-06 16752 0.799E-03 0.362E-03
DAV: 8 -0.559695750245E+03 -0.21352E-04 -0.27743E-06 16788 0.465E-03 0.199E-03
DAV: 9 -0.559695778021E+03 -0.27776E-04 -0.21820E-06 17424 0.418E-03 0.106E-03
DAV: 10 -0.559695800676E+03 -0.22655E-04 -0.21328E-06 18024 0.318E-03 0.113E-03
DAV: 11 -0.559695814993E+03 -0.14317E-04 -0.13561E-06 17640 0.244E-03 0.634E-04
DAV: 12 -0.559695823293E+03 -0.82997E-05 -0.90656E-07 17892 0.155E-03
80 F= -.55969582E+03 E0= -.55969969E+03 d E =-.919761E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559695592389E+03 0.22260E-03 -0.13090E+00 21924 0.287E+00 0.256E-01
DAV: 2 -0.559697554931E+03 -0.19625E-02 -0.27078E-02 24312 0.376E-01 0.163E-01
DAV: 3 -0.559697290652E+03 0.26428E-03 -0.78885E-04 25254 0.850E-02 0.863E-02
DAV: 4 -0.559697268951E+03 0.21701E-04 -0.38318E-04 26208 0.540E-02 0.220E-02
DAV: 5 -0.559697274154E+03 -0.52030E-05 -0.61761E-05 24756 0.221E-02
81 F= -.55969727E+03 E0= -.55970114E+03 d E =-.106485E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559701023831E+03 -0.37549E-02 -0.50569E+00 21924 0.567E+00 0.518E-01
DAV: 2 -0.559708749858E+03 -0.77260E-02 -0.10804E-01 23952 0.761E-01 0.345E-01
DAV: 3 -0.559707755157E+03 0.99470E-03 -0.35310E-03 25716 0.177E-01 0.195E-01
DAV: 4 -0.559707589927E+03 0.16523E-03 -0.19272E-03 25416 0.119E-01 0.533E-02
DAV: 5 -0.559707594510E+03 -0.45825E-05 -0.32965E-04 27864 0.562E-02 0.239E-02
DAV: 6 -0.559707605800E+03 -0.11290E-04 -0.58880E-05 24528 0.187E-02 0.134E-02
DAV: 7 -0.559707621508E+03 -0.15708E-04 -0.76484E-06 15990 0.841E-03 0.487E-03
DAV: 8 -0.559707639432E+03 -0.17924E-04 -0.33303E-06 16980 0.499E-03 0.240E-03
DAV: 9 -0.559707662022E+03 -0.22590E-04 -0.22138E-06 17004 0.507E-03 0.141E-03
DAV: 10 -0.559707682358E+03 -0.20336E-04 -0.19887E-06 17940 0.349E-03 0.163E-03
DAV: 11 -0.559707694600E+03 -0.12242E-04 -0.11187E-06 17616 0.249E-03 0.685E-04
DAV: 12 -0.559707702276E+03 -0.76752E-05 -0.70052E-07 17004 0.151E-03
82 F= -.55970770E+03 E0= -.55971157E+03 d E =-.104281E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559707560497E+03 0.13410E-03 -0.96360E-01 21924 0.248E+00 0.225E-01
DAV: 2 -0.559709007847E+03 -0.14474E-02 -0.20515E-02 23688 0.332E-01 0.151E-01
DAV: 3 -0.559708818384E+03 0.18946E-03 -0.67595E-04 25014 0.772E-02 0.849E-02
DAV: 4 -0.559708794604E+03 0.23780E-04 -0.37435E-04 25146 0.523E-02 0.234E-02
DAV: 5 -0.559708794967E+03 -0.36344E-06 -0.63025E-05 26376 0.248E-02
83 F= -.55970879E+03 E0= -.55971266E+03 d E =-.115208E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559713239797E+03 -0.44452E-02 -0.25941E+00 21924 0.406E+00 0.368E-01
DAV: 2 -0.559717127887E+03 -0.38881E-02 -0.53494E-02 23532 0.535E-01 0.240E-01
DAV: 3 -0.559716641604E+03 0.48628E-03 -0.16592E-03 25992 0.121E-01 0.130E-01
DAV: 4 -0.559716609067E+03 0.32538E-04 -0.80683E-04 25176 0.768E-02 0.334E-02
DAV: 5 -0.559716615946E+03 -0.68788E-05 -0.13584E-04 26616 0.349E-02 0.150E-02
DAV: 6 -0.559716622171E+03 -0.62256E-05 -0.18796E-05 18048 0.120E-02
84 F= -.55971662E+03 E0= -.55972049E+03 d E =-.782720E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559711049752E+03 0.55662E-02 -0.85611E+00 21924 0.738E+00 0.671E-01
DAV: 2 -0.559723895065E+03 -0.12845E-01 -0.17737E-01 24156 0.974E-01 0.436E-01
DAV: 3 -0.559722236648E+03 0.16584E-02 -0.55131E-03 26016 0.222E-01 0.238E-01
DAV: 4 -0.559722074598E+03 0.16205E-03 -0.26948E-03 25200 0.141E-01 0.615E-02
DAV: 5 -0.559722096629E+03 -0.22030E-04 -0.45557E-04 26196 0.636E-02 0.273E-02
DAV: 6 -0.559722114481E+03 -0.17852E-04 -0.67416E-05 24672 0.219E-02 0.149E-02
DAV: 7 -0.559722142170E+03 -0.27689E-04 -0.10732E-05 17244 0.108E-02 0.518E-03
DAV: 8 -0.559722169763E+03 -0.27593E-04 -0.41867E-06 16968 0.629E-03 0.256E-03
DAV: 9 -0.559722201357E+03 -0.31594E-04 -0.26066E-06 17424 0.498E-03 0.143E-03
DAV: 10 -0.559722234596E+03 -0.33239E-04 -0.30294E-06 17694 0.453E-03 0.169E-03
DAV: 11 -0.559722256117E+03 -0.21520E-04 -0.23655E-06 18060 0.394E-03 0.818E-04
DAV: 12 -0.559722265715E+03 -0.95983E-05 -0.11679E-06 17784 0.220E-03
85 F= -.55972227E+03 E0= -.55972613E+03 d E =-.134707E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559726802637E+03 -0.45465E-02 -0.37375E+00 21924 0.490E+00 0.438E-01
DAV: 2 -0.559732419863E+03 -0.56172E-02 -0.77112E-02 24300 0.641E-01 0.283E-01
DAV: 3 -0.559731645809E+03 0.77405E-03 -0.22644E-03 26064 0.148E-01 0.148E-01
DAV: 4 -0.559731567693E+03 0.78117E-04 -0.10531E-03 25668 0.910E-02 0.360E-02
DAV: 5 -0.559731581069E+03 -0.13376E-04 -0.18014E-04 25452 0.365E-02 0.179E-02
DAV: 6 -0.559731585458E+03 -0.43889E-05 -0.16064E-05 17628 0.114E-02
86 F= -.55973159E+03 E0= -.55973545E+03 d E =-.931974E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559729086768E+03 0.24943E-02 -0.47763E+00 21924 0.554E+00 0.497E-01
DAV: 2 -0.559736289535E+03 -0.72028E-02 -0.98941E-02 24390 0.726E-01 0.320E-01
DAV: 3 -0.559735276818E+03 0.10127E-02 -0.28969E-03 25878 0.167E-01 0.168E-01
DAV: 4 -0.559735171386E+03 0.10543E-03 -0.13577E-03 25368 0.104E-01 0.410E-02
DAV: 5 -0.559735201474E+03 -0.30089E-04 -0.23570E-04 24396 0.416E-02 0.204E-02
DAV: 6 -0.559735218019E+03 -0.16545E-04 -0.20947E-05 18648 0.130E-02 0.104E-02
DAV: 7 -0.559735248521E+03 -0.30502E-04 -0.83987E-06 16686 0.803E-03 0.328E-03
DAV: 8 -0.559735274303E+03 -0.25782E-04 -0.30193E-06 17820 0.505E-03 0.191E-03
DAV: 9 -0.559735305758E+03 -0.31455E-04 -0.26655E-06 17436 0.419E-03 0.127E-03
DAV: 10 -0.559735331512E+03 -0.25754E-04 -0.23885E-06 17976 0.316E-03 0.921E-04
DAV: 11 -0.559735349058E+03 -0.17546E-04 -0.16453E-06 17784 0.222E-03 0.617E-04
DAV: 12 -0.559735357769E+03 -0.87115E-05 -0.10062E-06 17928 0.160E-03
87 F= -.55973536E+03 E0= -.55973923E+03 d E =-.130921E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559736844126E+03 -0.14951E-02 -0.52108E+00 21924 0.581E+00 0.520E-01
DAV: 2 -0.559744654042E+03 -0.78099E-02 -0.10698E-01 23634 0.761E-01 0.361E-01
DAV: 3 -0.559743469640E+03 0.11844E-02 -0.37443E-03 26040 0.196E-01 0.193E-01
DAV: 4 -0.559743300319E+03 0.16932E-03 -0.19538E-03 25272 0.120E-01 0.498E-02
DAV: 5 -0.559743306637E+03 -0.63186E-05 -0.31823E-04 27444 0.510E-02 0.266E-02
DAV: 6 -0.559743312834E+03 -0.61973E-05 -0.50009E-05 24192 0.177E-02
88 F= -.55974331E+03 E0= -.55974718E+03 d E =-.795507E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559743313793E+03 -0.71560E-05 -0.89726E-02 22380 0.763E-01 0.687E-02
DAV: 2 -0.559743455888E+03 -0.14210E-03 -0.18930E-03 23988 0.101E-01 0.482E-02
DAV: 3 -0.559743441632E+03 0.14256E-04 -0.65590E-05 27012 0.259E-02 0.261E-02
DAV: 4 -0.559743452172E+03 -0.10540E-04 -0.36120E-05 22038 0.167E-02 0.672E-03
DAV: 5 -0.559743460521E+03 -0.83487E-05 -0.58232E-06 16872 0.754E-03
89 F= -.55974346E+03 E0= -.55974733E+03 d E =-.810275E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559747409127E+03 -0.39570E-02 -0.19799E+00 21924 0.356E+00 0.334E-01
DAV: 2 -0.559750150256E+03 -0.27411E-02 -0.40744E-02 24348 0.473E-01 0.218E-01
DAV: 3 -0.559749667052E+03 0.48320E-03 -0.15140E-03 25428 0.119E-01 0.114E-01
DAV: 4 -0.559749624931E+03 0.42121E-04 -0.70634E-04 25080 0.734E-02 0.328E-02
DAV: 5 -0.559749630396E+03 -0.54656E-05 -0.11500E-04 25536 0.318E-02 0.144E-02
DAV: 6 -0.559749638488E+03 -0.80914E-05 -0.16257E-05 17160 0.110E-02
90 F= -.55974964E+03 E0= -.55975351E+03 d E =-.617797E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559749655159E+03 -0.24762E-04 -0.15919E+00 21924 0.319E+00 0.300E-01
DAV: 2 -0.559751844729E+03 -0.21896E-02 -0.32764E-02 24354 0.424E-01 0.196E-01
DAV: 3 -0.559751447815E+03 0.39691E-03 -0.12216E-03 25692 0.107E-01 0.102E-01
DAV: 4 -0.559751417376E+03 0.30439E-04 -0.56823E-04 24780 0.659E-02 0.294E-02
DAV: 5 -0.559751428211E+03 -0.10835E-04 -0.93079E-05 24864 0.286E-02 0.130E-02
DAV: 6 -0.559751440267E+03 -0.12056E-04 -0.12806E-05 16764 0.986E-03 0.662E-03
DAV: 7 -0.559751459484E+03 -0.19217E-04 -0.37167E-06 16608 0.522E-03 0.220E-03
DAV: 8 -0.559751477685E+03 -0.18202E-04 -0.16168E-06 16548 0.338E-03 0.130E-03
DAV: 9 -0.559751500750E+03 -0.23065E-04 -0.16348E-06 17358 0.276E-03 0.825E-04
DAV: 10 -0.559751521943E+03 -0.21192E-04 -0.18709E-06 17760 0.254E-03 0.646E-04
DAV: 11 -0.559751532386E+03 -0.10443E-04 -0.10095E-06 18120 0.173E-03 0.419E-04
DAV: 12 -0.559751537432E+03 -0.50455E-05 -0.61058E-07 16980 0.118E-03
91 F= -.55975154E+03 E0= -.55975541E+03 d E =-.807691E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559754730488E+03 -0.31981E-02 -0.24217E+00 21924 0.393E+00 0.376E-01
DAV: 2 -0.559758247931E+03 -0.35174E-02 -0.51506E-02 24210 0.529E-01 0.242E-01
DAV: 3 -0.559757663203E+03 0.58473E-03 -0.17008E-03 25536 0.125E-01 0.128E-01
DAV: 4 -0.559757601221E+03 0.61981E-04 -0.87662E-04 25512 0.823E-02 0.348E-02
DAV: 5 -0.559757603914E+03 -0.26932E-05 -0.14441E-04 25584 0.350E-02 0.159E-02
DAV: 6 -0.559757608025E+03 -0.41109E-05 -0.24213E-05 20820 0.128E-02
92 F= -.55975761E+03 E0= -.55976148E+03 d E =-.607059E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559757358179E+03 0.24574E-03 -0.91768E-01 21924 0.242E+00 0.232E-01
DAV: 2 -0.559758676749E+03 -0.13186E-02 -0.19496E-02 23694 0.326E-01 0.149E-01
DAV: 3 -0.559758449234E+03 0.22751E-03 -0.64743E-04 25416 0.770E-02 0.784E-02
DAV: 4 -0.559758433661E+03 0.15573E-04 -0.32872E-04 24696 0.507E-02 0.212E-02
DAV: 5 -0.559758442776E+03 -0.91152E-05 -0.55012E-05 24492 0.216E-02
93 F= -.55975844E+03 E0= -.55976231E+03 d E =-.690534E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559761984409E+03 -0.35507E-02 -0.12218E+00 21924 0.280E+00 0.260E-01
DAV: 2 -0.559763663968E+03 -0.16796E-02 -0.24360E-02 23850 0.366E-01 0.175E-01
DAV: 3 -0.559763383063E+03 0.28090E-03 -0.79937E-04 26928 0.898E-02 0.898E-02
DAV: 4 -0.559763370768E+03 0.12295E-04 -0.42046E-04 24486 0.561E-02 0.234E-02
DAV: 5 -0.559763377122E+03 -0.63541E-05 -0.67153E-05 25968 0.245E-02
94 F= -.55976338E+03 E0= -.55976725E+03 d E =-.493435E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559761997501E+03 0.13733E-02 -0.44725E+00 21924 0.536E+00 0.499E-01
DAV: 2 -0.559768187889E+03 -0.61904E-02 -0.89464E-02 24672 0.701E-01 0.335E-01
DAV: 3 -0.559767141382E+03 0.10465E-02 -0.29336E-03 26424 0.172E-01 0.174E-01
DAV: 4 -0.559767040680E+03 0.10070E-03 -0.15544E-03 24690 0.108E-01 0.453E-02
DAV: 5 -0.559767046209E+03 -0.55284E-05 -0.24692E-04 26028 0.471E-02 0.224E-02
DAV: 6 -0.559767064797E+03 -0.18588E-04 -0.51179E-05 23664 0.183E-02 0.110E-02
DAV: 7 -0.559767087371E+03 -0.22574E-04 -0.70289E-06 17490 0.101E-02 0.424E-03
DAV: 8 -0.559767112590E+03 -0.25220E-04 -0.42751E-06 16788 0.634E-03 0.281E-03
DAV: 9 -0.559767136520E+03 -0.23930E-04 -0.20867E-06 16152 0.487E-03 0.145E-03
DAV: 10 -0.559767167459E+03 -0.30939E-04 -0.27405E-06 17418 0.476E-03 0.210E-03
DAV: 11 -0.559767184470E+03 -0.17011E-04 -0.17910E-06 17460 0.374E-03 0.841E-04
DAV: 12 -0.559767197020E+03 -0.12550E-04 -0.14385E-06 17580 0.267E-03 0.938E-04
DAV: 13 -0.559767203479E+03 -0.64593E-05 -0.65980E-07 17100 0.163E-03
95 F= -.55976720E+03 E0= -.55977107E+03 d E =-.876070E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559771385476E+03 -0.41885E-02 -0.13633E+00 21924 0.296E+00 0.269E-01
DAV: 2 -0.559773230846E+03 -0.18454E-02 -0.26811E-02 24654 0.384E-01 0.178E-01
DAV: 3 -0.559772906380E+03 0.32447E-03 -0.95229E-04 26880 0.949E-02 0.869E-02
DAV: 4 -0.559772889250E+03 0.17129E-04 -0.39511E-04 25080 0.548E-02 0.232E-02
DAV: 5 -0.559772888976E+03 0.27497E-06 -0.55592E-05 25596 0.214E-02
96 F= -.55977289E+03 E0= -.55977676E+03 d E =-.568550E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559770819363E+03 0.20699E-02 -0.37514E+00 21924 0.491E+00 0.447E-01
DAV: 2 -0.559775974818E+03 -0.51555E-02 -0.74033E-02 24678 0.637E-01 0.295E-01
DAV: 3 -0.559775061966E+03 0.91285E-03 -0.25913E-03 26868 0.157E-01 0.146E-01
DAV: 4 -0.559774989429E+03 0.72537E-04 -0.10959E-03 25392 0.919E-02 0.388E-02
DAV: 5 -0.559774997164E+03 -0.77349E-05 -0.15871E-04 26088 0.360E-02 0.184E-02
DAV: 6 -0.559775010696E+03 -0.13532E-04 -0.27424E-05 21744 0.139E-02 0.878E-03
DAV: 7 -0.559775029616E+03 -0.18920E-04 -0.45720E-06 16188 0.773E-03 0.361E-03
DAV: 8 -0.559775053140E+03 -0.23524E-04 -0.38375E-06 16704 0.579E-03 0.235E-03
DAV: 9 -0.559775073894E+03 -0.20754E-04 -0.17675E-06 17448 0.402E-03 0.121E-03
DAV: 10 -0.559775097631E+03 -0.23737E-04 -0.20794E-06 17232 0.348E-03 0.165E-03
DAV: 11 -0.559775107862E+03 -0.10231E-04 -0.99501E-07 17244 0.267E-03 0.777E-04
DAV: 12 -0.559775120211E+03 -0.12349E-04 -0.14590E-06 17136 0.252E-03 0.110E-03
DAV: 13 -0.559775124339E+03 -0.41277E-05 -0.51537E-07 17304 0.151E-03
97 F= -.55977512E+03 E0= -.55977899E+03 d E =-.792086E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559775159010E+03 -0.38799E-04 -0.24496E-01 22140 0.125E+00 0.114E-01
DAV: 2 -0.559775484101E+03 -0.32509E-03 -0.47931E-03 25512 0.162E-01 0.755E-02
DAV: 3 -0.559775430506E+03 0.53595E-04 -0.17276E-04 27432 0.403E-02 0.362E-02
DAV: 4 -0.559775431643E+03 -0.11372E-05 -0.70304E-05 25260 0.231E-02
98 F= -.55977543E+03 E0= -.55977930E+03 d E =-.822816E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559778672587E+03 -0.32421E-02 -0.16957E+00 21924 0.331E+00 0.302E-01
DAV: 2 -0.559781043569E+03 -0.23710E-02 -0.33605E-02 24630 0.428E-01 0.206E-01
DAV: 3 -0.559780633468E+03 0.41010E-03 -0.12420E-03 25620 0.111E-01 0.101E-01
DAV: 4 -0.559780609507E+03 0.23962E-04 -0.51340E-04 25596 0.617E-02 0.260E-02
DAV: 5 -0.559780609664E+03 -0.15714E-06 -0.71503E-05 25644 0.228E-02
99 F= -.55978061E+03 E0= -.55978448E+03 d E =-.517802E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559780561856E+03 0.47650E-04 -0.58826E-01 21924 0.195E+00 0.178E-01
DAV: 2 -0.559781405037E+03 -0.84318E-03 -0.11812E-02 24144 0.253E-01 0.122E-01
DAV: 3 -0.559781263417E+03 0.14162E-03 -0.41913E-04 25656 0.649E-02 0.606E-02
DAV: 4 -0.559781256759E+03 0.66572E-05 -0.18576E-04 25320 0.373E-02 0.156E-02
DAV: 5 -0.559781260333E+03 -0.35735E-05 -0.26150E-05 21996 0.143E-02
100 F= -.55978126E+03 E0= -.55978513E+03 d E =-.582869E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559784812134E+03 -0.35554E-02 -0.16192E+00 21924 0.322E+00 0.302E-01
DAV: 2 -0.559786904749E+03 -0.20926E-02 -0.31084E-02 24540 0.414E-01 0.202E-01
DAV: 3 -0.559786525688E+03 0.37906E-03 -0.12320E-03 25884 0.109E-01 0.969E-02
DAV: 4 -0.559786509709E+03 0.15979E-04 -0.47072E-04 25140 0.577E-02 0.253E-02
DAV: 5 -0.559786512018E+03 -0.23083E-05 -0.66077E-05 25332 0.242E-02
101 F= -.55978651E+03 E0= -.55979038E+03 d E =-.525168E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559786225505E+03 0.28420E-03 -0.22989E+00 21924 0.384E+00 0.361E-01
DAV: 2 -0.559789212929E+03 -0.29874E-02 -0.44164E-02 24720 0.494E-01 0.242E-01
DAV: 3 -0.559788665314E+03 0.54761E-03 -0.17449E-03 25746 0.129E-01 0.116E-01
DAV: 4 -0.559788637440E+03 0.27874E-04 -0.66623E-04 25164 0.687E-02 0.302E-02
DAV: 5 -0.559788643145E+03 -0.57050E-05 -0.93602E-05 24816 0.288E-02
102 F= -.55978864E+03 E0= -.55979251E+03 d E =-.738281E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559792638285E+03 -0.40008E-02 -0.20512E+00 21924 0.362E+00 0.345E-01
DAV: 2 -0.559795344003E+03 -0.27057E-02 -0.40696E-02 24264 0.475E-01 0.227E-01
DAV: 3 -0.559794852796E+03 0.49121E-03 -0.15093E-03 24936 0.116E-01 0.114E-01
DAV: 4 -0.559794818780E+03 0.34016E-04 -0.62477E-04 25128 0.682E-02 0.299E-02
DAV: 5 -0.559794831802E+03 -0.13022E-04 -0.10001E-04 24396 0.306E-02 0.129E-02
DAV: 6 -0.559794845178E+03 -0.13376E-04 -0.12586E-05 17220 0.992E-03 0.738E-03
DAV: 7 -0.559794868774E+03 -0.23596E-04 -0.48867E-06 16500 0.659E-03 0.236E-03
DAV: 8 -0.559794888338E+03 -0.19564E-04 -0.18752E-06 16680 0.391E-03 0.157E-03
DAV: 9 -0.559794915259E+03 -0.26921E-04 -0.19242E-06 17232 0.344E-03 0.908E-04
DAV: 10 -0.559794937993E+03 -0.22734E-04 -0.20921E-06 17868 0.306E-03 0.798E-04
DAV: 11 -0.559794950996E+03 -0.13003E-04 -0.11843E-06 18060 0.209E-03 0.444E-04
DAV: 12 -0.559794956295E+03 -0.52989E-05 -0.59768E-07 17124 0.126E-03
103 F= -.55979496E+03 E0= -.55979883E+03 d E =-.631315E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559795290045E+03 -0.33905E-03 -0.16029E+00 21924 0.320E+00 0.304E-01
DAV: 2 -0.559797370251E+03 -0.20802E-02 -0.31676E-02 24486 0.420E-01 0.201E-01
DAV: 3 -0.559796993971E+03 0.37628E-03 -0.11814E-03 25158 0.102E-01 0.101E-01
DAV: 4 -0.559796968906E+03 0.25065E-04 -0.48830E-04 25512 0.600E-02 0.264E-02
DAV: 5 -0.559796967729E+03 0.11766E-05 -0.76896E-05 25332 0.268E-02
104 F= -.55979697E+03 E0= -.55980084E+03 d E =-.832458E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559800726681E+03 -0.37578E-02 -0.16712E+00 21924 0.329E+00 0.307E-01
DAV: 2 -0.559802958393E+03 -0.22317E-02 -0.33305E-02 23448 0.429E-01 0.212E-01
DAV: 3 -0.559802544195E+03 0.41420E-03 -0.12912E-03 25452 0.113E-01 0.108E-01
DAV: 4 -0.559802489215E+03 0.54979E-04 -0.57872E-04 24960 0.660E-02 0.282E-02
DAV: 5 -0.559802489974E+03 -0.75811E-06 -0.93880E-05 27156 0.297E-02
105 F= -.55980249E+03 E0= -.55980636E+03 d E =-.552224E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559802415295E+03 0.73920E-04 -0.10108E+00 21924 0.256E+00 0.239E-01
DAV: 2 -0.559803776241E+03 -0.13609E-02 -0.20297E-02 23466 0.335E-01 0.165E-01
DAV: 3 -0.559803523149E+03 0.25309E-03 -0.77617E-04 25560 0.877E-02 0.848E-02
DAV: 4 -0.559803493787E+03 0.29362E-04 -0.36087E-04 23796 0.525E-02 0.223E-02
DAV: 5 -0.559803502452E+03 -0.86651E-05 -0.60242E-05 26184 0.241E-02
106 F= -.55980350E+03 E0= -.55980737E+03 d E =-.653472E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559806339875E+03 -0.28461E-02 -0.96451E-01 21924 0.249E+00 0.231E-01
DAV: 2 -0.559807573874E+03 -0.12340E-02 -0.18549E-02 23934 0.318E-01 0.154E-01
DAV: 3 -0.559807342872E+03 0.23100E-03 -0.65605E-04 25800 0.824E-02 0.750E-02
DAV: 4 -0.559807338728E+03 0.41436E-05 -0.29598E-04 24876 0.466E-02 0.196E-02
DAV: 5 -0.559807350311E+03 -0.11583E-04 -0.45054E-05 24552 0.201E-02 0.948E-03
DAV: 6 -0.559807363546E+03 -0.13235E-04 -0.63065E-06 16320 0.735E-03 0.481E-03
DAV: 7 -0.559807383358E+03 -0.19811E-04 -0.26061E-06 16584 0.488E-03 0.175E-03
DAV: 8 -0.559807402067E+03 -0.18710E-04 -0.13313E-06 16488 0.344E-03 0.123E-03
DAV: 9 -0.559807427028E+03 -0.24961E-04 -0.17592E-06 17250 0.334E-03 0.748E-04
DAV: 10 -0.559807443857E+03 -0.16828E-04 -0.16089E-06 17976 0.274E-03 0.648E-04
DAV: 11 -0.559807452233E+03 -0.83759E-05 -0.82837E-07 17604 0.182E-03
107 F= -.55980745E+03 E0= -.55981132E+03 d E =-.394978E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559808815259E+03 -0.13714E-02 -0.11700E+00 21924 0.274E+00 0.254E-01
DAV: 2 -0.559810285961E+03 -0.14707E-02 -0.22405E-02 24174 0.350E-01 0.169E-01
DAV: 3 -0.559810003266E+03 0.28270E-03 -0.80100E-04 25968 0.908E-02 0.824E-02
DAV: 4 -0.559809987272E+03 0.15994E-04 -0.35865E-04 25104 0.508E-02 0.215E-02
DAV: 5 -0.559809986042E+03 0.12299E-05 -0.52061E-05 25644 0.214E-02
108 F= -.55980999E+03 E0= -.55981386E+03 d E =-.648359E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559805007589E+03 0.49797E-02 -0.46774E+00 21924 0.549E+00 0.511E-01
DAV: 2 -0.559811010448E+03 -0.60029E-02 -0.90051E-02 24294 0.701E-01 0.339E-01
DAV: 3 -0.559809846284E+03 0.11642E-02 -0.31690E-03 25968 0.181E-01 0.167E-01
DAV: 4 -0.559809732734E+03 0.11355E-03 -0.14486E-03 25440 0.102E-01 0.436E-02
DAV: 5 -0.559809738880E+03 -0.61452E-05 -0.21500E-04 25464 0.436E-02 0.207E-02
DAV: 6 -0.559809754919E+03 -0.16039E-04 -0.32322E-05 22752 0.156E-02 0.105E-02
DAV: 7 -0.559809782797E+03 -0.27879E-04 -0.66992E-06 16536 0.877E-03 0.375E-03
DAV: 8 -0.559809810899E+03 -0.28101E-04 -0.33319E-06 16728 0.537E-03 0.224E-03
DAV: 9 -0.559809849246E+03 -0.38347E-04 -0.27791E-06 17226 0.466E-03 0.123E-03
DAV: 10 -0.559809882111E+03 -0.32866E-04 -0.31982E-06 17820 0.423E-03 0.130E-03
DAV: 11 -0.559809904427E+03 -0.22316E-04 -0.26281E-06 17508 0.381E-03 0.947E-04
DAV: 12 -0.559809911214E+03 -0.67869E-05 -0.90849E-07 17364 0.198E-03
109 F= -.55980991E+03 E0= -.55981378E+03 d E =-.640876E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559809572991E+03 0.33144E-03 -0.12526E+00 21924 0.284E+00 0.261E-01
DAV: 2 -0.559811138250E+03 -0.15653E-02 -0.23730E-02 25248 0.360E-01 0.175E-01
DAV: 3 -0.559810844610E+03 0.29364E-03 -0.85648E-04 26112 0.935E-02 0.836E-02
DAV: 4 -0.559810835759E+03 0.88513E-05 -0.38217E-04 25632 0.520E-02 0.222E-02
DAV: 5 -0.559810833645E+03 0.21139E-05 -0.55160E-05 25608 0.223E-02
110 F= -.55981083E+03 E0= -.55981470E+03 d E =-.733119E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559814957587E+03 -0.41218E-02 -0.12719E+00 21960 0.287E+00 0.267E-01
DAV: 2 -0.559816665518E+03 -0.17079E-02 -0.25346E-02 24702 0.375E-01 0.174E-01
DAV: 3 -0.559816380006E+03 0.28551E-03 -0.90765E-04 25476 0.914E-02 0.878E-02
DAV: 4 -0.559816376814E+03 0.31915E-05 -0.37331E-04 25164 0.515E-02 0.232E-02
DAV: 5 -0.559816380937E+03 -0.41230E-05 -0.56342E-05 25488 0.217E-02
111 F= -.55981638E+03 E0= -.55982025E+03 d E =-.554729E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559816453839E+03 -0.77025E-04 -0.22280E+00 21924 0.380E+00 0.355E-01
DAV: 2 -0.559819500043E+03 -0.30462E-02 -0.44655E-02 24912 0.497E-01 0.231E-01
DAV: 3 -0.559818971830E+03 0.52821E-03 -0.15715E-03 25752 0.121E-01 0.117E-01
DAV: 4 -0.559818926783E+03 0.45047E-04 -0.65068E-04 25236 0.684E-02 0.308E-02
DAV: 5 -0.559818933035E+03 -0.62515E-05 -0.99481E-05 25680 0.286E-02
112 F= -.55981893E+03 E0= -.55982281E+03 d E =-.809939E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559821972290E+03 -0.30455E-02 -0.15348E+00 21924 0.316E+00 0.293E-01
DAV: 2 -0.559824211944E+03 -0.22397E-02 -0.31487E-02 24402 0.416E-01 0.199E-01
DAV: 3 -0.559823866386E+03 0.34556E-03 -0.11115E-03 26796 0.102E-01 0.106E-01
DAV: 4 -0.559823825756E+03 0.40629E-04 -0.52855E-04 23928 0.617E-02 0.266E-02
DAV: 5 -0.559823835400E+03 -0.96440E-05 -0.85676E-05 26940 0.272E-02
113 F= -.55982384E+03 E0= -.55982771E+03 d E =-.490237E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559823965567E+03 -0.13981E-03 -0.56670E-01 21960 0.192E+00 0.178E-01
DAV: 2 -0.559824796765E+03 -0.83120E-03 -0.11716E-02 24210 0.253E-01 0.122E-01
DAV: 3 -0.559824672922E+03 0.12384E-03 -0.40962E-04 27384 0.620E-02 0.652E-02
DAV: 4 -0.559824665828E+03 0.70934E-05 -0.20052E-04 23526 0.379E-02 0.163E-02
DAV: 5 -0.559824675420E+03 -0.95921E-05 -0.31696E-05 23376 0.170E-02
114 F= -.55982468E+03 E0= -.55982855E+03 d E =-.574239E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559827637515E+03 -0.29717E-02 -0.18561E+00 21924 0.344E+00 0.324E-01
DAV: 2 -0.559830359375E+03 -0.27219E-02 -0.38587E-02 24594 0.457E-01 0.208E-01
DAV: 3 -0.559829981045E+03 0.37833E-03 -0.13084E-03 24990 0.109E-01 0.111E-01
DAV: 4 -0.559829964760E+03 0.16286E-04 -0.61259E-04 24702 0.686E-02 0.303E-02
DAV: 5 -0.559829974951E+03 -0.10192E-04 -0.10411E-04 25764 0.312E-02 0.132E-02
DAV: 6 -0.559829982776E+03 -0.78247E-05 -0.14780E-05 17412 0.107E-02
115 F= -.55982998E+03 E0= -.55983386E+03 d E =-.530736E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559829808792E+03 0.16616E-03 -0.12498E+00 21924 0.282E+00 0.266E-01
DAV: 2 -0.559831617331E+03 -0.18085E-02 -0.25914E-02 24984 0.375E-01 0.171E-01
DAV: 3 -0.559831354456E+03 0.26288E-03 -0.88595E-04 24888 0.900E-02 0.905E-02
DAV: 4 -0.559831345119E+03 0.93370E-05 -0.41291E-04 24624 0.565E-02 0.249E-02
DAV: 5 -0.559831354587E+03 -0.94683E-05 -0.70932E-05 25092 0.257E-02
116 F= -.55983135E+03 E0= -.55983523E+03 d E =-.667917E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559834466307E+03 -0.31212E-02 -0.17136E+00 21924 0.332E+00 0.306E-01
DAV: 2 -0.559836903449E+03 -0.24371E-02 -0.34534E-02 24726 0.435E-01 0.200E-01
DAV: 3 -0.559836554600E+03 0.34885E-03 -0.11375E-03 25116 0.106E-01 0.106E-01
DAV: 4 -0.559836546768E+03 0.78313E-05 -0.58407E-04 24492 0.669E-02 0.296E-02
DAV: 5 -0.559836554453E+03 -0.76843E-05 -0.98339E-05 25392 0.308E-02
117 F= -.55983655E+03 E0= -.55984043E+03 d E =-.519987E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559835794712E+03 0.75206E-03 -0.22726E+00 21924 0.383E+00 0.352E-01
DAV: 2 -0.559839041799E+03 -0.32471E-02 -0.45858E-02 24696 0.501E-01 0.230E-01
DAV: 3 -0.559838576742E+03 0.46506E-03 -0.15079E-03 25224 0.122E-01 0.122E-01
DAV: 4 -0.559838559602E+03 0.17140E-04 -0.77634E-04 24642 0.773E-02 0.342E-02
DAV: 5 -0.559838568803E+03 -0.92010E-05 -0.13212E-04 25116 0.356E-02 0.159E-02
DAV: 6 -0.559838578971E+03 -0.10168E-04 -0.22304E-05 19392 0.126E-02 0.835E-03
DAV: 7 -0.559838593113E+03 -0.14142E-04 -0.43954E-06 16572 0.683E-03 0.289E-03
DAV: 8 -0.559838606788E+03 -0.13675E-04 -0.19791E-06 16332 0.423E-03 0.157E-03
DAV: 9 -0.559838620472E+03 -0.13684E-04 -0.10156E-06 16632 0.313E-03 0.818E-04
DAV: 10 -0.559838636516E+03 -0.16044E-04 -0.14779E-06 17520 0.341E-03 0.972E-04
DAV: 11 -0.559838642961E+03 -0.64444E-05 -0.78478E-07 17232 0.231E-03
118 F= -.55983864E+03 E0= -.55984252E+03 d E =-.728837E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559840815393E+03 -0.21789E-02 -0.24552E+00 21924 0.397E+00 0.361E-01
DAV: 2 -0.559844231902E+03 -0.34165E-02 -0.48705E-02 24192 0.514E-01 0.242E-01
DAV: 3 -0.559843719403E+03 0.51250E-03 -0.17620E-03 25440 0.131E-01 0.129E-01
DAV: 4 -0.559843676652E+03 0.42751E-04 -0.87248E-04 24072 0.799E-02 0.363E-02
DAV: 5 -0.559843677080E+03 -0.42834E-06 -0.13489E-04 27204 0.357E-02 0.168E-02
DAV: 6 -0.559843680084E+03 -0.30033E-05 -0.26791E-05 21960 0.130E-02
119 F= -.55984368E+03 E0= -.55984755E+03 d E =-.503712E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559843542726E+03 0.13435E-03 -0.73468E-01 21924 0.217E+00 0.198E-01
DAV: 2 -0.559844559536E+03 -0.10168E-02 -0.14626E-02 23244 0.281E-01 0.133E-01
DAV: 3 -0.559844406532E+03 0.15300E-03 -0.53091E-04 25746 0.715E-02 0.707E-02
DAV: 4 -0.559844401222E+03 0.53097E-05 -0.25981E-04 23520 0.438E-02 0.198E-02
DAV: 5 -0.559844405701E+03 -0.44782E-05 -0.39890E-05 24516 0.195E-02
120 F= -.55984441E+03 E0= -.55984828E+03 d E =-.576274E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559846392933E+03 -0.19917E-02 -0.28376E+00 21924 0.426E+00 0.393E-01
DAV: 2 -0.559850407455E+03 -0.40145E-02 -0.57447E-02 24558 0.556E-01 0.252E-01
DAV: 3 -0.559849766126E+03 0.64133E-03 -0.18088E-03 25080 0.132E-01 0.133E-01
DAV: 4 -0.559849693198E+03 0.72928E-04 -0.93839E-04 25188 0.846E-02 0.342E-02
DAV: 5 -0.559849704388E+03 -0.11190E-04 -0.15134E-04 25356 0.357E-02 0.162E-02
DAV: 6 -0.559849714571E+03 -0.10183E-04 -0.21141E-05 17748 0.126E-02 0.820E-03
DAV: 7 -0.559849731519E+03 -0.16948E-04 -0.46624E-06 15870 0.629E-03 0.304E-03
DAV: 8 -0.559849749443E+03 -0.17924E-04 -0.24093E-06 16896 0.388E-03 0.167E-03
DAV: 9 -0.559849768975E+03 -0.19532E-04 -0.13038E-06 16788 0.268E-03 0.931E-04
DAV: 10 -0.559849790086E+03 -0.21111E-04 -0.18139E-06 17544 0.229E-03 0.986E-04
DAV: 11 -0.559849799990E+03 -0.99042E-05 -0.76728E-07 17316 0.187E-03
121 F= -.55984980E+03 E0= -.55985367E+03 d E =-.539429E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559849680071E+03 0.11001E-03 -0.63973E-01 21924 0.202E+00 0.186E-01
DAV: 2 -0.559850556251E+03 -0.87618E-03 -0.12835E-02 24840 0.263E-01 0.120E-01
DAV: 3 -0.559850414381E+03 0.14187E-03 -0.41045E-04 24960 0.625E-02 0.626E-02
DAV: 4 -0.559850407094E+03 0.72879E-05 -0.20912E-04 24888 0.398E-02 0.161E-02
DAV: 5 -0.559850409231E+03 -0.21375E-05 -0.32227E-05 22728 0.167E-02
122 F= -.55985041E+03 E0= -.55985428E+03 d E =-.600353E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559853131826E+03 -0.27247E-02 -0.29553E+00 21924 0.435E+00 0.409E-01
DAV: 2 -0.559856938022E+03 -0.38062E-02 -0.57843E-02 23016 0.565E-01 0.265E-01
DAV: 3 -0.559856268276E+03 0.66975E-03 -0.22508E-03 25548 0.146E-01 0.136E-01
DAV: 4 -0.559856183293E+03 0.84983E-04 -0.98922E-04 25416 0.891E-02 0.366E-02
DAV: 5 -0.559856188637E+03 -0.53441E-05 -0.16455E-04 26292 0.378E-02 0.181E-02
DAV: 6 -0.559856195465E+03 -0.68277E-05 -0.23840E-05 19476 0.133E-02
123 F= -.55985620E+03 E0= -.55986007E+03 d E =-.578623E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559854387745E+03 0.18009E-02 -0.29667E+00 21924 0.436E+00 0.410E-01
DAV: 2 -0.559858194995E+03 -0.38072E-02 -0.58193E-02 23256 0.567E-01 0.267E-01
DAV: 3 -0.559857506941E+03 0.68805E-03 -0.22900E-03 25236 0.147E-01 0.137E-01
DAV: 4 -0.559857419705E+03 0.87236E-04 -0.99856E-04 25092 0.897E-02 0.369E-02
DAV: 5 -0.559857434135E+03 -0.14431E-04 -0.16706E-04 25512 0.380E-02 0.183E-02
DAV: 6 -0.559857448888E+03 -0.14753E-04 -0.24217E-05 19092 0.134E-02 0.973E-03
DAV: 7 -0.559857476205E+03 -0.27317E-04 -0.63652E-06 16068 0.700E-03 0.317E-03
DAV: 8 -0.559857501820E+03 -0.25615E-04 -0.28246E-06 16872 0.444E-03 0.196E-03
DAV: 9 -0.559857536122E+03 -0.34302E-04 -0.23988E-06 17346 0.408E-03 0.108E-03
DAV: 10 -0.559857565695E+03 -0.29573E-04 -0.26344E-06 17844 0.331E-03 0.103E-03
DAV: 11 -0.559857585321E+03 -0.19627E-04 -0.17511E-06 17928 0.244E-03 0.580E-04
DAV: 12 -0.559857593001E+03 -0.76793E-05 -0.85776E-07 17736 0.153E-03
124 F= -.55985759E+03 E0= -.55986147E+03 d E =-.718377E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559859323159E+03 -0.17378E-02 -0.21017E+00 21924 0.366E+00 0.351E-01
DAV: 2 -0.559862056046E+03 -0.27329E-02 -0.42590E-02 23256 0.483E-01 0.227E-01
DAV: 3 -0.559861566525E+03 0.48952E-03 -0.16433E-03 25560 0.126E-01 0.119E-01
DAV: 4 -0.559861498269E+03 0.68256E-04 -0.77908E-04 24936 0.792E-02 0.325E-02
DAV: 5 -0.559861497882E+03 0.38753E-06 -0.13197E-04 27168 0.347E-02 0.158E-02
DAV: 6 -0.559861498941E+03 -0.10592E-05 -0.19071E-05 18852 0.116E-02
125 F= -.55986150E+03 E0= -.55986537E+03 d E =-.390594E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559858625774E+03 0.28721E-02 -0.36292E+00 21924 0.482E+00 0.463E-01
DAV: 2 -0.559863375050E+03 -0.47493E-02 -0.73898E-02 23052 0.636E-01 0.299E-01
DAV: 3 -0.559862501601E+03 0.87345E-03 -0.28589E-03 25128 0.166E-01 0.157E-01
DAV: 4 -0.559862361747E+03 0.13985E-03 -0.13547E-03 24696 0.105E-01 0.430E-02
DAV: 5 -0.559862369880E+03 -0.81337E-05 -0.23420E-04 27048 0.462E-02 0.210E-02
DAV: 6 -0.559862380442E+03 -0.10562E-04 -0.35160E-05 21732 0.153E-02 0.112E-02
DAV: 7 -0.559862402712E+03 -0.22269E-04 -0.71432E-06 16542 0.831E-03 0.354E-03
DAV: 8 -0.559862425760E+03 -0.23049E-04 -0.33765E-06 16344 0.577E-03 0.231E-03
DAV: 9 -0.559862458511E+03 -0.32751E-04 -0.26568E-06 17364 0.561E-03 0.126E-03
DAV: 10 -0.559862486369E+03 -0.27858E-04 -0.28410E-06 17844 0.477E-03 0.132E-03
DAV: 11 -0.559862502881E+03 -0.16511E-04 -0.16808E-06 17772 0.317E-03 0.853E-04
DAV: 12 -0.559862512008E+03 -0.91270E-05 -0.83882E-07 17148 0.177E-03
126 F= -.55986251E+03 E0= -.55986639E+03 d E =-.491901E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559864520300E+03 -0.20174E-02 -0.27165E+00 21924 0.416E+00 0.390E-01
DAV: 2 -0.559868096162E+03 -0.35759E-02 -0.53812E-02 24216 0.542E-01 0.252E-01
DAV: 3 -0.559867481959E+03 0.61420E-03 -0.18810E-03 25086 0.135E-01 0.130E-01
DAV: 4 -0.559867422930E+03 0.59030E-04 -0.89203E-04 25260 0.822E-02 0.353E-02
DAV: 5 -0.559867425523E+03 -0.25936E-05 -0.14086E-04 25524 0.355E-02 0.164E-02
DAV: 6 -0.559867429640E+03 -0.41173E-05 -0.22393E-05 19716 0.129E-02
127 F= -.55986743E+03 E0= -.55987130E+03 d E =-.491763E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559857351300E+03 0.10074E-01 -0.10756E+01 21924 0.828E+00 0.783E-01
DAV: 2 -0.559871695879E+03 -0.14345E-01 -0.21484E-01 23904 0.108E+00 0.503E-01
DAV: 3 -0.559869221757E+03 0.24741E-02 -0.74591E-03 25164 0.269E-01 0.264E-01
DAV: 4 -0.559868918401E+03 0.30336E-03 -0.35765E-03 25392 0.166E-01 0.715E-02
DAV: 5 -0.559868946551E+03 -0.28150E-04 -0.57563E-04 25752 0.713E-02 0.332E-02
DAV: 6 -0.559868975547E+03 -0.28996E-04 -0.97282E-05 24156 0.260E-02 0.170E-02
DAV: 7 -0.559869016703E+03 -0.41156E-04 -0.15371E-05 18876 0.129E-02 0.624E-03
DAV: 8 -0.559869060641E+03 -0.43939E-04 -0.81152E-06 16992 0.817E-03 0.375E-03
DAV: 9 -0.559869107104E+03 -0.46462E-04 -0.44014E-06 17472 0.642E-03 0.208E-03
DAV: 10 -0.559869158470E+03 -0.51367E-04 -0.51314E-06 17508 0.576E-03 0.262E-03
DAV: 11 -0.559869187117E+03 -0.28647E-04 -0.31708E-06 18300 0.467E-03 0.117E-03
DAV: 12 -0.559869209163E+03 -0.22046E-04 -0.25831E-06 17484 0.324E-03 0.138E-03
DAV: 13 -0.559869220549E+03 -0.11385E-04 -0.13129E-06 18324 0.219E-03 0.561E-04
DAV: 14 -0.559869227276E+03 -0.67274E-05 -0.10041E-06 17424 0.179E-03
128 F= -.55986923E+03 E0= -.55987310E+03 d E =-.671527E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559868477154E+03 0.74339E-03 -0.12637E+00 21924 0.284E+00 0.264E-01
DAV: 2 -0.559870120668E+03 -0.16435E-02 -0.24761E-02 25476 0.368E-01 0.172E-01
DAV: 3 -0.559869843948E+03 0.27672E-03 -0.87705E-04 26076 0.913E-02 0.867E-02
DAV: 4 -0.559869828148E+03 0.15800E-04 -0.40492E-04 25776 0.551E-02 0.234E-02
DAV: 5 -0.559869828468E+03 -0.31973E-06 -0.62830E-05 25452 0.236E-02
129 F= -.55986983E+03 E0= -.55987370E+03 d E =-.731646E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559873364023E+03 -0.35359E-02 -0.14038E+00 21936 0.300E+00 0.279E-01
DAV: 2 -0.559875246515E+03 -0.18825E-02 -0.28122E-02 24648 0.392E-01 0.185E-01
DAV: 3 -0.559874916545E+03 0.32997E-03 -0.10691E-03 25776 0.101E-01 0.934E-02
DAV: 4 -0.559874901584E+03 0.14961E-04 -0.46125E-04 25200 0.585E-02 0.264E-02
DAV: 5 -0.559874902936E+03 -0.13517E-05 -0.71951E-05 25584 0.255E-02
130 F= -.55987490E+03 E0= -.55987878E+03 d E =-.507447E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559875106757E+03 -0.20517E-03 -0.87200E-01 21924 0.237E+00 0.220E-01
DAV: 2 -0.559876297735E+03 -0.11910E-02 -0.17580E-02 25248 0.309E-01 0.146E-01
DAV: 3 -0.559876086418E+03 0.21132E-03 -0.65067E-04 26280 0.792E-02 0.742E-02
DAV: 4 -0.559876071932E+03 0.14486E-04 -0.29063E-04 25500 0.469E-02 0.209E-02
DAV: 5 -0.559876074466E+03 -0.25338E-05 -0.47476E-05 24756 0.211E-02
131 F= -.55987607E+03 E0= -.55987995E+03 d E =-.624600E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559878729749E+03 -0.26578E-02 -0.18589E+00 21924 0.343E+00 0.327E-01
DAV: 2 -0.559881291269E+03 -0.25615E-02 -0.37705E-02 25122 0.447E-01 0.209E-01
DAV: 3 -0.559880839645E+03 0.45162E-03 -0.12809E-03 25416 0.110E-01 0.108E-01
DAV: 4 -0.559880798810E+03 0.40835E-04 -0.60433E-04 25584 0.650E-02 0.299E-02
DAV: 5 -0.559880806437E+03 -0.76269E-05 -0.86696E-05 25452 0.277E-02
132 F= -.55988081E+03 E0= -.55988468E+03 d E =-.473197E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559880911936E+03 -0.11313E-03 -0.41492E-01 21948 0.162E+00 0.154E-01
DAV: 2 -0.559881491207E+03 -0.57927E-03 -0.84394E-03 25416 0.212E-01 0.989E-02
DAV: 3 -0.559881392403E+03 0.98804E-04 -0.28051E-04 25884 0.515E-02 0.507E-02
DAV: 4 -0.559881394982E+03 -0.25790E-05 -0.13562E-04 24180 0.308E-02 0.142E-02
DAV: 5 -0.559881405467E+03 -0.10485E-04 -0.18628E-05 20328 0.133E-02 0.640E-03
DAV: 6 -0.559881415643E+03 -0.10176E-04 -0.47511E-06 16404 0.589E-03 0.312E-03
DAV: 7 -0.559881427976E+03 -0.12333E-04 -0.14295E-06 16788 0.338E-03 0.132E-03
DAV: 8 -0.559881440853E+03 -0.12877E-04 -0.92331E-07 16320 0.232E-03 0.938E-04
DAV: 9 -0.559881453306E+03 -0.12454E-04 -0.83735E-07 17664 0.180E-03 0.529E-04
DAV: 10 -0.559881462765E+03 -0.94590E-05 -0.75576E-07 17412 0.150E-03
133 F= -.55988146E+03 E0= -.55988533E+03 d E =-.538830E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559884505357E+03 -0.30521E-02 -0.19388E+00 21924 0.351E+00 0.327E-01
DAV: 2 -0.559886999850E+03 -0.24945E-02 -0.37303E-02 24192 0.453E-01 0.210E-01
DAV: 3 -0.559886574800E+03 0.42505E-03 -0.14397E-03 25500 0.114E-01 0.105E-01
DAV: 4 -0.559886553280E+03 0.21520E-04 -0.56630E-04 25548 0.631E-02 0.291E-02
DAV: 5 -0.559886557462E+03 -0.41818E-05 -0.76595E-05 25320 0.254E-02
134 F= -.55988656E+03 E0= -.55989043E+03 d E =-.509470E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559886626187E+03 -0.72907E-04 -0.89869E-01 21924 0.239E+00 0.223E-01
DAV: 2 -0.559887796309E+03 -0.11701E-02 -0.17345E-02 24102 0.309E-01 0.143E-01
DAV: 3 -0.559887600506E+03 0.19580E-03 -0.66142E-04 25488 0.773E-02 0.716E-02
DAV: 4 -0.559887597749E+03 0.27564E-05 -0.26403E-04 24708 0.433E-02 0.198E-02
DAV: 5 -0.559887605562E+03 -0.78124E-05 -0.35710E-05 22020 0.176E-02
135 F= -.55988761E+03 E0= -.55989148E+03 d E =-.614280E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559890369593E+03 -0.27718E-02 -0.22895E+00 21924 0.380E+00 0.360E-01
DAV: 2 -0.559893213469E+03 -0.28439E-02 -0.43930E-02 22944 0.491E-01 0.231E-01
DAV: 3 -0.559892693686E+03 0.51978E-03 -0.17061E-03 25626 0.124E-01 0.117E-01
DAV: 4 -0.559892646997E+03 0.46688E-04 -0.70177E-04 25200 0.720E-02 0.310E-02
DAV: 5 -0.559892661767E+03 -0.14769E-04 -0.11006E-04 25332 0.302E-02 0.151E-02
DAV: 6 -0.559892673107E+03 -0.11340E-04 -0.14437E-05 16272 0.111E-02 0.741E-03
DAV: 7 -0.559892690590E+03 -0.17483E-04 -0.48095E-06 16608 0.609E-03 0.259E-03
DAV: 8 -0.559892706180E+03 -0.15591E-04 -0.16081E-06 16716 0.402E-03 0.149E-03
DAV: 9 -0.559892725558E+03 -0.19377E-04 -0.15345E-06 17436 0.337E-03 0.104E-03
DAV: 10 -0.559892742278E+03 -0.16720E-04 -0.12922E-06 17724 0.266E-03 0.807E-04
DAV: 11 -0.559892754740E+03 -0.12462E-04 -0.10476E-06 17856 0.212E-03 0.532E-04
DAV: 12 -0.559892760586E+03 -0.58457E-05 -0.57445E-07 17064 0.146E-03
136 F= -.55989276E+03 E0= -.55989663E+03 d E =-.515502E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559892958161E+03 -0.20342E-03 -0.65722E-01 21924 0.203E+00 0.192E-01
DAV: 2 -0.559893758943E+03 -0.80078E-03 -0.12573E-02 23352 0.263E-01 0.124E-01
DAV: 3 -0.559893612687E+03 0.14626E-03 -0.49410E-04 25398 0.666E-02 0.624E-02
DAV: 4 -0.559893602401E+03 0.10286E-04 -0.20080E-04 25512 0.384E-02 0.165E-02
DAV: 5 -0.559893604699E+03 -0.22979E-05 -0.30111E-05 22968 0.160E-02
137 F= -.55989360E+03 E0= -.55989748E+03 d E =-.599914E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559896217197E+03 -0.26148E-02 -0.25504E+00 21924 0.398E+00 0.399E-01
DAV: 2 -0.559899438067E+03 -0.32209E-02 -0.52627E-02 23418 0.527E-01 0.246E-01
DAV: 3 -0.559898727326E+03 0.71074E-03 -0.19710E-03 25740 0.132E-01 0.125E-01
DAV: 4 -0.559898632734E+03 0.94592E-04 -0.88651E-04 25704 0.811E-02 0.349E-02
DAV: 5 -0.559898648415E+03 -0.15681E-04 -0.14563E-04 25116 0.332E-02 0.163E-02
DAV: 6 -0.559898659660E+03 -0.11245E-04 -0.15108E-05 18456 0.115E-02 0.760E-03
DAV: 7 -0.559898679002E+03 -0.19342E-04 -0.45549E-06 16674 0.643E-03 0.275E-03
DAV: 8 -0.559898698565E+03 -0.19563E-04 -0.20944E-06 16968 0.455E-03 0.165E-03
DAV: 9 -0.559898724338E+03 -0.25772E-04 -0.21311E-06 17352 0.415E-03 0.104E-03
DAV: 10 -0.559898743122E+03 -0.18784E-04 -0.18000E-06 18216 0.310E-03 0.838E-04
DAV: 11 -0.559898755381E+03 -0.12259E-04 -0.11041E-06 17688 0.214E-03 0.480E-04
DAV: 12 -0.559898762010E+03 -0.66291E-05 -0.75290E-07 17832 0.150E-03
138 F= -.55989876E+03 E0= -.55990263E+03 d E =-.515731E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559898828151E+03 -0.72771E-04 -0.29263E-01 21984 0.135E+00 0.134E-01
DAV: 2 -0.559899187771E+03 -0.35962E-03 -0.59934E-03 23628 0.178E-01 0.834E-02
DAV: 3 -0.559899107981E+03 0.79789E-04 -0.22780E-04 25320 0.449E-02 0.418E-02
DAV: 4 -0.559899100974E+03 0.70072E-05 -0.99731E-05 25392 0.271E-02
139 F= -.55989910E+03 E0= -.55990297E+03 d E =-.549628E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559901482685E+03 -0.23747E-02 -0.19461E+00 21924 0.352E+00 0.342E-01
DAV: 2 -0.559903721807E+03 -0.22391E-02 -0.37398E-02 23760 0.452E-01 0.220E-01
DAV: 3 -0.559903199101E+03 0.52271E-03 -0.15430E-03 25944 0.120E-01 0.107E-01
DAV: 4 -0.559903140638E+03 0.58463E-04 -0.62936E-04 25596 0.678E-02 0.303E-02
DAV: 5 -0.559903149569E+03 -0.89314E-05 -0.95329E-05 26268 0.271E-02
140 F= -.55990315E+03 E0= -.55990702E+03 d E =-.404859E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559903239737E+03 -0.99100E-04 -0.34997E-01 21924 0.149E+00 0.145E-01
DAV: 2 -0.559903641348E+03 -0.40161E-03 -0.67394E-03 24144 0.192E-01 0.931E-02
DAV: 3 -0.559903548637E+03 0.92711E-04 -0.27225E-04 26340 0.504E-02 0.451E-02
DAV: 4 -0.559903550438E+03 -0.18004E-05 -0.11506E-04 23952 0.293E-02 0.128E-02
DAV: 5 -0.559903564428E+03 -0.13991E-04 -0.17165E-05 20100 0.121E-02 0.656E-03
DAV: 6 -0.559903579129E+03 -0.14701E-04 -0.32660E-06 17028 0.518E-03 0.297E-03
DAV: 7 -0.559903597403E+03 -0.18274E-04 -0.14552E-06 15948 0.334E-03 0.131E-03
DAV: 8 -0.559903618384E+03 -0.20981E-04 -0.14362E-06 17688 0.318E-03 0.960E-04
DAV: 9 -0.559903637593E+03 -0.19210E-04 -0.16383E-06 17724 0.296E-03 0.671E-04
DAV: 10 -0.559903647279E+03 -0.96860E-05 -0.97778E-07 17916 0.204E-03
141 F= -.55990365E+03 E0= -.55990752E+03 d E =-.454631E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559905983090E+03 -0.23455E-02 -0.75974E-01 21924 0.221E+00 0.216E-01
DAV: 2 -0.559906865004E+03 -0.88191E-03 -0.15117E-02 23640 0.293E-01 0.139E-01
DAV: 3 -0.559906664776E+03 0.20023E-03 -0.67356E-04 25428 0.765E-02 0.682E-02
DAV: 4 -0.559906647543E+03 0.17233E-04 -0.25920E-04 25728 0.442E-02 0.202E-02
DAV: 5 -0.559906649418E+03 -0.18756E-05 -0.33625E-05 22968 0.175E-02
142 F= -.55990665E+03 E0= -.55991052E+03 d E =-.300214E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559906949166E+03 -0.30162E-03 -0.61885E-01 21924 0.199E+00 0.195E-01
DAV: 2 -0.559907676136E+03 -0.72697E-03 -0.12362E-02 23724 0.265E-01 0.125E-01
DAV: 3 -0.559907508655E+03 0.16748E-03 -0.54089E-04 25824 0.688E-02 0.619E-02
DAV: 4 -0.559907494782E+03 0.13872E-04 -0.21471E-04 25392 0.403E-02 0.183E-02
DAV: 5 -0.559907500508E+03 -0.57255E-05 -0.28302E-05 20580 0.164E-02
143 F= -.55990750E+03 E0= -.55991137E+03 d E =-.385323E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559909512262E+03 -0.20175E-02 -0.86750E-01 21924 0.235E+00 0.238E-01
DAV: 2 -0.559910612279E+03 -0.11000E-02 -0.18161E-02 24120 0.313E-01 0.146E-01
DAV: 3 -0.559910380934E+03 0.23134E-03 -0.70913E-04 25200 0.771E-02 0.744E-02
DAV: 4 -0.559910359415E+03 0.21519E-04 -0.30498E-04 25596 0.481E-02 0.209E-02
DAV: 5 -0.559910368587E+03 -0.91719E-05 -0.43706E-05 23676 0.194E-02
144 F= -.55991037E+03 E0= -.55991424E+03 d E =-.286808E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559910496207E+03 -0.13679E-03 -0.42888E-01 21924 0.165E+00 0.167E-01
DAV: 2 -0.559911048492E+03 -0.55229E-03 -0.90043E-03 24924 0.221E-01 0.103E-01
DAV: 3 -0.559910932657E+03 0.11584E-03 -0.33965E-04 25308 0.539E-02 0.523E-02
DAV: 4 -0.559910928492E+03 0.41644E-05 -0.15381E-04 24732 0.341E-02 0.147E-02
DAV: 5 -0.559910938724E+03 -0.10231E-04 -0.21329E-05 19896 0.139E-02 0.691E-03
DAV: 6 -0.559910950601E+03 -0.11877E-04 -0.74112E-06 17052 0.692E-03 0.362E-03
DAV: 7 -0.559910961969E+03 -0.11369E-04 -0.15132E-06 16116 0.385E-03 0.162E-03
DAV: 8 -0.559910975574E+03 -0.13605E-04 -0.16385E-06 16980 0.341E-03 0.156E-03
DAV: 9 -0.559910984484E+03 -0.89102E-05 -0.77075E-07 16896 0.265E-03
145 F= -.55991098E+03 E0= -.55991485E+03 d E =-.348398E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559913165455E+03 -0.21899E-02 -0.46410E-01 21936 0.173E+00 0.167E-01
DAV: 2 -0.559913701365E+03 -0.53591E-03 -0.88153E-03 23772 0.222E-01 0.106E-01
DAV: 3 -0.559913595070E+03 0.10629E-03 -0.36184E-04 25188 0.562E-02 0.504E-02
DAV: 4 -0.559913591751E+03 0.33195E-05 -0.14408E-04 25668 0.327E-02 0.142E-02
DAV: 5 -0.559913594017E+03 -0.22663E-05 -0.17966E-05 20328 0.126E-02
146 F= -.55991359E+03 E0= -.55991746E+03 d E =-.260953E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559913324571E+03 0.26718E-03 -0.37657E+00 21924 0.494E+00 0.480E-01
DAV: 2 -0.559917753187E+03 -0.44286E-02 -0.71942E-02 23052 0.633E-01 0.303E-01
DAV: 3 -0.559916874540E+03 0.87865E-03 -0.29299E-03 25608 0.160E-01 0.145E-01
DAV: 4 -0.559916814023E+03 0.60518E-04 -0.11872E-03 25896 0.943E-02 0.413E-02
DAV: 5 -0.559916825570E+03 -0.11548E-04 -0.15947E-04 25800 0.363E-02 0.212E-02
DAV: 6 -0.559916841632E+03 -0.16061E-04 -0.45211E-05 24024 0.167E-02 0.105E-02
DAV: 7 -0.559916858111E+03 -0.16480E-04 -0.67044E-06 17808 0.868E-03 0.386E-03
DAV: 8 -0.559916877526E+03 -0.19414E-04 -0.55300E-06 17004 0.610E-03 0.299E-03
DAV: 9 -0.559916891771E+03 -0.14245E-04 -0.13941E-06 16908 0.364E-03 0.156E-03
DAV: 10 -0.559916917311E+03 -0.25540E-04 -0.29916E-06 17322 0.417E-03 0.236E-03
DAV: 11 -0.559916932118E+03 -0.14806E-04 -0.11432E-06 17772 0.267E-03 0.118E-03
DAV: 12 -0.559916948973E+03 -0.16856E-04 -0.24048E-06 17532 0.329E-03 0.161E-03
DAV: 13 -0.559916955126E+03 -0.61532E-05 -0.72047E-07 17652 0.208E-03
147 F= -.55991696E+03 E0= -.55992082E+03 d E =-.597064E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559919193103E+03 -0.22441E-02 -0.63849E-01 21936 0.204E+00 0.197E-01
DAV: 2 -0.559919962821E+03 -0.76972E-03 -0.12731E-02 23430 0.267E-01 0.126E-01
DAV: 3 -0.559919800816E+03 0.16201E-03 -0.58164E-04 25536 0.722E-02 0.592E-02
DAV: 4 -0.559919792306E+03 0.85101E-05 -0.19885E-04 25788 0.402E-02 0.183E-02
DAV: 5 -0.559919795044E+03 -0.27376E-05 -0.27146E-05 21384 0.149E-02
148 F= -.55991980E+03 E0= -.55992366E+03 d E =-.283992E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559920132159E+03 -0.33985E-03 -0.93079E-01 21924 0.246E+00 0.238E-01
DAV: 2 -0.559921269395E+03 -0.11372E-02 -0.18628E-02 22812 0.323E-01 0.152E-01
DAV: 3 -0.559921026795E+03 0.24260E-03 -0.83431E-04 26064 0.868E-02 0.720E-02
DAV: 4 -0.559921011735E+03 0.15060E-04 -0.29538E-04 25812 0.493E-02 0.221E-02
DAV: 5 -0.559921019084E+03 -0.73490E-05 -0.42458E-05 23148 0.185E-02
149 F= -.55992102E+03 E0= -.55992489E+03 d E =-.406396E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559923006334E+03 -0.19946E-02 -0.91605E-01 21924 0.241E+00 0.244E-01
DAV: 2 -0.559924087515E+03 -0.10812E-02 -0.18939E-02 23682 0.321E-01 0.150E-01
DAV: 3 -0.559923825250E+03 0.26226E-03 -0.79307E-04 25332 0.813E-02 0.729E-02
DAV: 4 -0.559923804554E+03 0.20696E-04 -0.29245E-04 25548 0.479E-02 0.221E-02
DAV: 5 -0.559923816691E+03 -0.12137E-04 -0.40209E-05 23604 0.182E-02 0.100E-02
DAV: 6 -0.559923829276E+03 -0.12585E-04 -0.83951E-06 16176 0.851E-03 0.459E-03
DAV: 7 -0.559923843943E+03 -0.14666E-04 -0.23873E-06 17076 0.465E-03 0.201E-03
DAV: 8 -0.559923860782E+03 -0.16840E-04 -0.18739E-06 16908 0.428E-03 0.144E-03
DAV: 9 -0.559923873093E+03 -0.12311E-04 -0.90719E-07 16824 0.259E-03 0.903E-04
DAV: 10 -0.559923887764E+03 -0.14670E-04 -0.13458E-06 17544 0.261E-03 0.872E-04
DAV: 11 -0.559923894240E+03 -0.64764E-05 -0.60477E-07 17328 0.174E-03
150 F= -.55992389E+03 E0= -.55992776E+03 d E =-.287516E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559924053490E+03 -0.16573E-03 -0.71060E-01 21936 0.212E+00 0.215E-01
DAV: 2 -0.559924874152E+03 -0.82066E-03 -0.14641E-02 23568 0.283E-01 0.132E-01
DAV: 3 -0.559924674104E+03 0.20005E-03 -0.63485E-04 25236 0.723E-02 0.637E-02
DAV: 4 -0.559924656415E+03 0.17690E-04 -0.22165E-04 26076 0.415E-02 0.195E-02
DAV: 5 -0.559924659978E+03 -0.35629E-05 -0.28639E-05 21924 0.154E-02
151 F= -.55992466E+03 E0= -.55992853E+03 d E =-.364089E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559926951024E+03 -0.22946E-02 -0.76207E-01 21924 0.220E+00 0.217E-01
DAV: 2 -0.559927769842E+03 -0.81882E-03 -0.14717E-02 22476 0.286E-01 0.135E-01
DAV: 3 -0.559927570821E+03 0.19902E-03 -0.62048E-04 25680 0.723E-02 0.651E-02
DAV: 4 -0.559927557288E+03 0.13533E-04 -0.24949E-04 25896 0.435E-02 0.199E-02
DAV: 5 -0.559927565141E+03 -0.78532E-05 -0.33120E-05 21864 0.173E-02
152 F= -.55992757E+03 E0= -.55993143E+03 d E =-.290516E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559927264692E+03 0.29260E-03 -0.34570E+00 21924 0.468E+00 0.465E-01
DAV: 2 -0.559930989139E+03 -0.37244E-02 -0.66968E-02 22824 0.608E-01 0.287E-01
DAV: 3 -0.559930083797E+03 0.90534E-03 -0.28392E-03 25752 0.155E-01 0.139E-01
DAV: 4 -0.559930001288E+03 0.82508E-04 -0.11375E-03 25932 0.929E-02 0.428E-02
DAV: 5 -0.559930023582E+03 -0.22294E-04 -0.15467E-04 25044 0.368E-02 0.209E-02
DAV: 6 -0.559930046288E+03 -0.22706E-04 -0.39633E-05 23424 0.170E-02 0.986E-03
DAV: 7 -0.559930069604E+03 -0.23316E-04 -0.57155E-06 17064 0.824E-03 0.363E-03
DAV: 8 -0.559930093678E+03 -0.24074E-04 -0.50498E-06 17016 0.593E-03 0.277E-03
DAV: 9 -0.559930110329E+03 -0.16651E-04 -0.12949E-06 17016 0.343E-03 0.158E-03
DAV: 10 -0.559930144823E+03 -0.34493E-04 -0.39022E-06 17238 0.464E-03 0.236E-03
DAV: 11 -0.559930160450E+03 -0.15627E-04 -0.13227E-06 18564 0.268E-03 0.140E-03
DAV: 12 -0.559930175982E+03 -0.15532E-04 -0.24926E-06 17472 0.357E-03 0.157E-03
DAV: 13 -0.559930181229E+03 -0.52475E-05 -0.69686E-07 17388 0.191E-03
153 F= -.55993018E+03 E0= -.55993405E+03 d E =-.552125E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559932595197E+03 -0.24192E-02 -0.15866E+00 21924 0.317E+00 0.321E-01
DAV: 2 -0.559934294099E+03 -0.16989E-02 -0.31754E-02 23142 0.419E-01 0.197E-01
DAV: 3 -0.559933857114E+03 0.43698E-03 -0.13773E-03 25896 0.108E-01 0.965E-02
DAV: 4 -0.559933808468E+03 0.48646E-04 -0.55726E-04 25944 0.642E-02 0.286E-02
DAV: 5 -0.559933814612E+03 -0.61445E-05 -0.72492E-05 26136 0.251E-02
154 F= -.55993381E+03 E0= -.55993768E+03 d E =-.363338E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559931053887E+03 0.27546E-02 -0.39143E+00 21924 0.497E+00 0.508E-01
DAV: 2 -0.559935318369E+03 -0.42645E-02 -0.78896E-02 22956 0.660E-01 0.310E-01
DAV: 3 -0.559934223771E+03 0.10946E-02 -0.33528E-03 26004 0.168E-01 0.153E-01
DAV: 4 -0.559934099065E+03 0.12471E-03 -0.14076E-03 25872 0.102E-01 0.453E-02
DAV: 5 -0.559934125862E+03 -0.26797E-04 -0.18489E-04 25044 0.404E-02 0.227E-02
DAV: 6 -0.559934153851E+03 -0.27988E-04 -0.44764E-05 24576 0.175E-02 0.109E-02
DAV: 7 -0.559934184111E+03 -0.30260E-04 -0.61010E-06 17130 0.860E-03 0.394E-03
DAV: 8 -0.559934214090E+03 -0.29979E-04 -0.51251E-06 17904 0.566E-03 0.285E-03
DAV: 9 -0.559934236979E+03 -0.22890E-04 -0.14772E-06 16932 0.353E-03 0.158E-03
DAV: 10 -0.559934279172E+03 -0.42192E-04 -0.46931E-06 17382 0.474E-03 0.257E-03
DAV: 11 -0.559934296715E+03 -0.17543E-04 -0.15948E-06 18804 0.313E-03 0.111E-03
DAV: 12 -0.559934314996E+03 -0.18281E-04 -0.26635E-06 17544 0.332E-03 0.163E-03
DAV: 13 -0.559934320217E+03 -0.52213E-05 -0.69965E-07 17376 0.180E-03
155 F= -.55993432E+03 E0= -.55993819E+03 d E =-.413899E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559934368631E+03 -0.53635E-04 -0.70610E-01 21924 0.211E+00 0.213E-01
DAV: 2 -0.559935129132E+03 -0.76050E-03 -0.14024E-02 24684 0.279E-01 0.132E-01
DAV: 3 -0.559934940319E+03 0.18881E-03 -0.62485E-04 26352 0.718E-02 0.636E-02
DAV: 4 -0.559934921281E+03 0.19038E-04 -0.24115E-04 25740 0.423E-02 0.188E-02
DAV: 5 -0.559934921539E+03 -0.25871E-06 -0.29926E-05 23400 0.164E-02
156 F= -.55993492E+03 E0= -.55993879E+03 d E =-.474031E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559936778054E+03 -0.18568E-02 -0.21251E+00 21924 0.365E+00 0.381E-01
DAV: 2 -0.559939112453E+03 -0.23344E-02 -0.43763E-02 24066 0.487E-01 0.226E-01
DAV: 3 -0.559938511642E+03 0.60081E-03 -0.19130E-03 25884 0.124E-01 0.110E-01
DAV: 4 -0.559938455671E+03 0.55970E-04 -0.71679E-04 25920 0.728E-02 0.340E-02
DAV: 5 -0.559938462715E+03 -0.70438E-05 -0.88426E-05 25476 0.265E-02
157 F= -.55993846E+03 E0= -.55994233E+03 d E =-.354118E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559938477710E+03 -0.22038E-04 -0.49659E-01 21924 0.176E+00 0.183E-01
DAV: 2 -0.559939034624E+03 -0.55691E-03 -0.10268E-02 24816 0.235E-01 0.109E-01
DAV: 3 -0.559938883685E+03 0.15094E-03 -0.41800E-04 26280 0.587E-02 0.537E-02
DAV: 4 -0.559938874938E+03 0.87475E-05 -0.17481E-04 25512 0.356E-02 0.162E-02
DAV: 5 -0.559938885995E+03 -0.11057E-04 -0.20946E-05 19644 0.135E-02 0.744E-03
DAV: 6 -0.559938897799E+03 -0.11804E-04 -0.63345E-06 15960 0.674E-03 0.331E-03
DAV: 7 -0.559938909783E+03 -0.11984E-04 -0.16312E-06 16800 0.363E-03 0.143E-03
DAV: 8 -0.559938920605E+03 -0.10822E-04 -0.11051E-06 16692 0.278E-03 0.113E-03
DAV: 9 -0.559938929085E+03 -0.84797E-05 -0.63147E-07 17568 0.187E-03
158 F= -.55993893E+03 E0= -.55994280E+03 d E =-.400755E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559941352794E+03 -0.24322E-02 -0.19324E+00 21924 0.350E+00 0.355E-01
DAV: 2 -0.559943351599E+03 -0.19988E-02 -0.37811E-02 23028 0.461E-01 0.214E-01
DAV: 3 -0.559942841912E+03 0.50969E-03 -0.16662E-03 25464 0.120E-01 0.104E-01
DAV: 4 -0.559942797790E+03 0.44123E-04 -0.63115E-04 26124 0.701E-02 0.321E-02
DAV: 5 -0.559942809165E+03 -0.11376E-04 -0.81446E-05 25488 0.259E-02 0.156E-02
DAV: 6 -0.559942817831E+03 -0.86654E-05 -0.19812E-05 20196 0.124E-02
159 F= -.55994282E+03 E0= -.55994669E+03 d E =-.388875E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559941671633E+03 0.11375E-02 -0.30417E+00 21924 0.439E+00 0.447E-01
DAV: 2 -0.559944814660E+03 -0.31430E-02 -0.59673E-02 22908 0.578E-01 0.270E-01
DAV: 3 -0.559943992948E+03 0.82171E-03 -0.26385E-03 25440 0.151E-01 0.131E-01
DAV: 4 -0.559943921561E+03 0.71388E-04 -0.99707E-04 26148 0.882E-02 0.407E-02
DAV: 5 -0.559943946943E+03 -0.25382E-04 -0.12989E-04 24816 0.327E-02 0.198E-02
DAV: 6 -0.559943968301E+03 -0.21358E-04 -0.33075E-05 23676 0.158E-02 0.910E-03
DAV: 7 -0.559943989841E+03 -0.21540E-04 -0.43485E-06 17004 0.751E-03 0.338E-03
DAV: 8 -0.559944011862E+03 -0.22021E-04 -0.52647E-06 17268 0.619E-03 0.291E-03
DAV: 9 -0.559944022118E+03 -0.10257E-04 -0.10454E-06 17148 0.326E-03 0.172E-03
DAV: 10 -0.559944049853E+03 -0.27735E-04 -0.33840E-06 17022 0.478E-03 0.224E-03
DAV: 11 -0.559944065464E+03 -0.15611E-04 -0.13632E-06 18624 0.276E-03 0.165E-03
DAV: 12 -0.559944076734E+03 -0.11270E-04 -0.16700E-06 17724 0.319E-03 0.874E-04
DAV: 13 -0.559944081900E+03 -0.51659E-05 -0.61047E-07 17748 0.160E-03
160 F= -.55994408E+03 E0= -.55994795E+03 d E =-.515282E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559945826418E+03 -0.17497E-02 -0.18399E+00 21924 0.339E+00 0.351E-01
DAV: 2 -0.559947667696E+03 -0.18413E-02 -0.36382E-02 23184 0.448E-01 0.211E-01
DAV: 3 -0.559947160084E+03 0.50761E-03 -0.15767E-03 25848 0.117E-01 0.102E-01
DAV: 4 -0.559947112940E+03 0.47144E-04 -0.63946E-04 26052 0.698E-02 0.313E-02
DAV: 5 -0.559947122334E+03 -0.93937E-05 -0.84742E-05 25884 0.266E-02
161 F= -.55994712E+03 E0= -.55995099E+03 d E =-.304043E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559945824336E+03 0.12886E-02 -0.42309E+00 21924 0.515E+00 0.535E-01
DAV: 2 -0.559950146458E+03 -0.43221E-02 -0.84337E-02 22470 0.681E-01 0.321E-01
DAV: 3 -0.559948960558E+03 0.11859E-02 -0.35519E-03 25644 0.176E-01 0.158E-01
DAV: 4 -0.559948845934E+03 0.11462E-03 -0.15212E-03 26028 0.108E-01 0.480E-02
DAV: 5 -0.559948879214E+03 -0.33280E-04 -0.20475E-04 25020 0.417E-02 0.241E-02
DAV: 6 -0.559948909917E+03 -0.30702E-04 -0.55047E-05 24786 0.198E-02 0.114E-02
DAV: 7 -0.559948939866E+03 -0.29949E-04 -0.69834E-06 17904 0.993E-03 0.417E-03
DAV: 8 -0.559948969730E+03 -0.29864E-04 -0.77997E-06 17820 0.781E-03 0.363E-03
DAV: 9 -0.559948986207E+03 -0.16477E-04 -0.19299E-06 17040 0.452E-03 0.205E-03
DAV: 10 -0.559949022598E+03 -0.36391E-04 -0.44986E-06 17106 0.584E-03 0.263E-03
DAV: 11 -0.559949046197E+03 -0.23599E-04 -0.22122E-06 18432 0.381E-03 0.181E-03
DAV: 12 -0.559949063191E+03 -0.16994E-04 -0.25812E-06 17772 0.402E-03 0.116E-03
DAV: 13 -0.559949069883E+03 -0.66923E-05 -0.84005E-07 17988 0.200E-03
162 F= -.55994907E+03 E0= -.55995294E+03 d E =-.498798E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559951717549E+03 -0.26544E-02 -0.17024E+00 21924 0.324E+00 0.341E-01
DAV: 2 -0.559953678851E+03 -0.19613E-02 -0.36383E-02 23904 0.442E-01 0.208E-01
DAV: 3 -0.559953152016E+03 0.52684E-03 -0.15504E-03 25566 0.112E-01 0.101E-01
DAV: 4 -0.559953092019E+03 0.59996E-04 -0.58658E-04 25896 0.661E-02 0.313E-02
DAV: 5 -0.559953099878E+03 -0.78590E-05 -0.74675E-05 25296 0.246E-02
163 F= -.55995310E+03 E0= -.55995697E+03 d E =-.402999E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559953102202E+03 -0.10183E-04 -0.50325E-01 21924 0.177E+00 0.184E-01
DAV: 2 -0.559953689896E+03 -0.58769E-03 -0.10751E-02 23646 0.240E-01 0.113E-01
DAV: 3 -0.559953526623E+03 0.16327E-03 -0.43937E-04 25488 0.599E-02 0.552E-02
DAV: 4 -0.559953517157E+03 0.94665E-05 -0.17978E-04 25068 0.365E-02 0.170E-02
DAV: 5 -0.559953530868E+03 -0.13711E-04 -0.22875E-05 20340 0.141E-02 0.770E-03
DAV: 6 -0.559953545682E+03 -0.14814E-04 -0.69837E-06 16080 0.690E-03 0.363E-03
DAV: 7 -0.559953560535E+03 -0.14854E-04 -0.18291E-06 16944 0.392E-03 0.152E-03
DAV: 8 -0.559953574359E+03 -0.13824E-04 -0.15132E-06 17064 0.313E-03 0.142E-03
DAV: 9 -0.559953584430E+03 -0.10070E-04 -0.78713E-07 17376 0.230E-03 0.687E-04
DAV: 10 -0.559953597561E+03 -0.13131E-04 -0.13933E-06 17388 0.212E-03 0.118E-03
DAV: 11 -0.559953601356E+03 -0.37957E-05 -0.41164E-07 17376 0.146E-03
164 F= -.55995360E+03 E0= -.55995747E+03 d E =-.453147E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559955873636E+03 -0.22761E-02 -0.20025E+00 21924 0.352E+00 0.364E-01
DAV: 2 -0.559957934772E+03 -0.20611E-02 -0.40067E-02 23076 0.466E-01 0.225E-01
DAV: 3 -0.559957361746E+03 0.57303E-03 -0.18368E-03 25836 0.122E-01 0.107E-01
DAV: 4 -0.559957308596E+03 0.53150E-04 -0.63896E-04 25992 0.683E-02 0.341E-02
DAV: 5 -0.559957317537E+03 -0.89404E-05 -0.81470E-05 26064 0.263E-02
165 F= -.55995732E+03 E0= -.55996119E+03 d E =-.371618E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559955942606E+03 0.13660E-02 -0.27616E+00 21924 0.412E+00 0.428E-01
DAV: 2 -0.559958825229E+03 -0.28826E-02 -0.55441E-02 22584 0.548E-01 0.264E-01
DAV: 3 -0.559958014385E+03 0.81084E-03 -0.24807E-03 25608 0.142E-01 0.127E-01
DAV: 4 -0.559957943673E+03 0.70712E-04 -0.90409E-04 26028 0.809E-02 0.402E-02
DAV: 5 -0.559957970049E+03 -0.26376E-04 -0.11623E-04 24912 0.318E-02 0.181E-02
DAV: 6 -0.559957995144E+03 -0.25095E-04 -0.26091E-05 22860 0.138E-02 0.858E-03
DAV: 7 -0.559958022166E+03 -0.27022E-04 -0.43872E-06 17040 0.673E-03 0.310E-03
DAV: 8 -0.559958048533E+03 -0.26367E-04 -0.33941E-06 17340 0.464E-03 0.226E-03
DAV: 9 -0.559958074649E+03 -0.26116E-04 -0.16517E-06 17664 0.335E-03 0.135E-03
DAV: 10 -0.559958109836E+03 -0.35187E-04 -0.32434E-06 17616 0.369E-03 0.172E-03
DAV: 11 -0.559958125448E+03 -0.15612E-04 -0.13435E-06 18744 0.252E-03 0.800E-04
DAV: 12 -0.559958137887E+03 -0.12439E-04 -0.15580E-06 17652 0.237E-03 0.115E-03
DAV: 13 -0.559958141748E+03 -0.38613E-05 -0.52286E-07 17340 0.146E-03
166 F= -.55995814E+03 E0= -.55996201E+03 d E =-.454039E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559960075112E+03 -0.19372E-02 -0.21017E+00 21924 0.358E+00 0.365E-01
DAV: 2 -0.559962288296E+03 -0.22132E-02 -0.41413E-02 23208 0.468E-01 0.228E-01
DAV: 3 -0.559961675480E+03 0.61282E-03 -0.17108E-03 25872 0.122E-01 0.110E-01
DAV: 4 -0.559961610731E+03 0.64749E-04 -0.70130E-04 25956 0.716E-02 0.332E-02
DAV: 5 -0.559961620612E+03 -0.98812E-05 -0.94517E-05 26004 0.277E-02
167 F= -.55996162E+03 E0= -.55996549E+03 d E =-.347886E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559961201330E+03 0.40940E-03 -0.21104E+00 21924 0.359E+00 0.367E-01
DAV: 2 -0.559963445616E+03 -0.22443E-02 -0.41782E-02 22452 0.471E-01 0.228E-01
DAV: 3 -0.559962814949E+03 0.63067E-03 -0.16956E-03 25548 0.122E-01 0.111E-01
DAV: 4 -0.559962752045E+03 0.62903E-04 -0.71930E-04 26004 0.728E-02 0.333E-02
DAV: 5 -0.559962775423E+03 -0.23377E-04 -0.98862E-05 24768 0.287E-02 0.160E-02
DAV: 6 -0.559962795837E+03 -0.20414E-04 -0.17668E-05 18636 0.121E-02 0.718E-03
DAV: 7 -0.559962820896E+03 -0.25059E-04 -0.39548E-06 16872 0.624E-03 0.273E-03
DAV: 8 -0.559962845911E+03 -0.25016E-04 -0.28769E-06 17988 0.500E-03 0.201E-03
DAV: 9 -0.559962868359E+03 -0.22448E-04 -0.16225E-06 17112 0.357E-03 0.133E-03
DAV: 10 -0.559962896807E+03 -0.28448E-04 -0.23546E-06 17640 0.372E-03 0.113E-03
DAV: 11 -0.559962911601E+03 -0.14793E-04 -0.14326E-06 18552 0.253E-03 0.753E-04
DAV: 12 -0.559962919248E+03 -0.76478E-05 -0.81796E-07 17412 0.183E-03
168 F= -.55996292E+03 E0= -.55996679E+03 d E =-.477750E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559965870881E+03 -0.29593E-02 -0.18120E+00 21924 0.336E+00 0.329E-01
DAV: 2 -0.559968319261E+03 -0.24484E-02 -0.38599E-02 24186 0.453E-01 0.211E-01
DAV: 3 -0.559967779891E+03 0.53937E-03 -0.14132E-03 25392 0.112E-01 0.106E-01
DAV: 4 -0.559967697558E+03 0.82333E-04 -0.59865E-04 25680 0.696E-02 0.287E-02
DAV: 5 -0.559967704495E+03 -0.69368E-05 -0.90757E-05 26136 0.260E-02
169 F= -.55996770E+03 E0= -.55997157E+03 d E =-.478525E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559967551068E+03 0.14649E-03 -0.86529E-01 21924 0.232E+00 0.227E-01
DAV: 2 -0.559968717721E+03 -0.11667E-02 -0.18412E-02 23676 0.313E-01 0.145E-01
DAV: 3 -0.559968448527E+03 0.26919E-03 -0.64899E-04 25512 0.766E-02 0.734E-02
DAV: 4 -0.559968412056E+03 0.36471E-04 -0.29372E-04 25728 0.493E-02 0.196E-02
DAV: 5 -0.559968426965E+03 -0.14909E-04 -0.47266E-05 23424 0.194E-02 0.102E-02
DAV: 6 -0.559968442057E+03 -0.15092E-04 -0.82575E-06 16488 0.878E-03 0.474E-03
DAV: 7 -0.559968459901E+03 -0.17844E-04 -0.24534E-06 16860 0.567E-03 0.213E-03
DAV: 8 -0.559968480451E+03 -0.20549E-04 -0.24069E-06 17424 0.551E-03 0.168E-03
DAV: 9 -0.559968494600E+03 -0.14149E-04 -0.14452E-06 17256 0.364E-03 0.109E-03
DAV: 10 -0.559968509032E+03 -0.14432E-04 -0.14663E-06 17340 0.343E-03 0.805E-04
DAV: 11 -0.559968514817E+03 -0.57850E-05 -0.84974E-07 17568 0.222E-03
170 F= -.55996851E+03 E0= -.55997238E+03 d E =-.559557E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559970850133E+03 -0.23411E-02 -0.15973E+00 21924 0.316E+00 0.307E-01
DAV: 2 -0.559972728692E+03 -0.18786E-02 -0.31365E-02 23244 0.412E-01 0.196E-01
DAV: 3 -0.559972288786E+03 0.43991E-03 -0.12929E-03 25752 0.110E-01 0.950E-02
DAV: 4 -0.559972246042E+03 0.42744E-04 -0.50876E-04 25980 0.620E-02 0.281E-02
DAV: 5 -0.559972252204E+03 -0.61628E-05 -0.68778E-05 26088 0.230E-02
171 F= -.55997225E+03 E0= -.55997612E+03 d E =-.373739E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559969977814E+03 0.22682E-02 -0.37084E+00 21924 0.481E+00 0.470E-01
DAV: 2 -0.559974409652E+03 -0.44318E-02 -0.73348E-02 22584 0.628E-01 0.298E-01
DAV: 3 -0.559973371738E+03 0.10379E-02 -0.29498E-03 25788 0.167E-01 0.147E-01
DAV: 4 -0.559973259187E+03 0.11255E-03 -0.12144E-03 26028 0.960E-02 0.432E-02
DAV: 5 -0.559973284057E+03 -0.24870E-04 -0.16664E-04 25296 0.360E-02 0.209E-02
DAV: 6 -0.559973307724E+03 -0.23667E-04 -0.31117E-05 23916 0.153E-02 0.961E-03
DAV: 7 -0.559973335486E+03 -0.27762E-04 -0.47926E-06 16866 0.773E-03 0.351E-03
DAV: 8 -0.559973366305E+03 -0.30819E-04 -0.47402E-06 17730 0.600E-03 0.280E-03
DAV: 9 -0.559973387984E+03 -0.21679E-04 -0.15078E-06 16860 0.393E-03 0.155E-03
DAV: 10 -0.559973431226E+03 -0.43242E-04 -0.45318E-06 17160 0.552E-03 0.229E-03
DAV: 11 -0.559973446166E+03 -0.14940E-04 -0.16885E-06 18324 0.312E-03 0.156E-03
DAV: 12 -0.559973459929E+03 -0.13764E-04 -0.21180E-06 17520 0.346E-03 0.134E-03
DAV: 13 -0.559973466426E+03 -0.64970E-05 -0.80516E-07 17760 0.184E-03
172 F= -.55997347E+03 E0= -.55997733E+03 d E =-.495161E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559975481716E+03 -0.20218E-02 -0.23692E+00 21924 0.379E+00 0.380E-01
DAV: 2 -0.559978121365E+03 -0.26396E-02 -0.46764E-02 23256 0.495E-01 0.238E-01
DAV: 3 -0.559977466410E+03 0.65496E-03 -0.18679E-03 25734 0.127E-01 0.116E-01
DAV: 4 -0.559977391724E+03 0.74686E-04 -0.73608E-04 25896 0.721E-02 0.328E-02
DAV: 5 -0.559977399986E+03 -0.82622E-05 -0.94004E-05 26076 0.272E-02
173 F= -.55997740E+03 E0= -.55998127E+03 d E =-.393356E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559976651163E+03 0.74056E-03 -0.25735E+00 21924 0.395E+00 0.397E-01
DAV: 2 -0.559979537910E+03 -0.28867E-02 -0.50994E-02 22758 0.515E-01 0.249E-01
DAV: 3 -0.559978810010E+03 0.72790E-03 -0.20115E-03 25548 0.131E-01 0.121E-01
DAV: 4 -0.559978731779E+03 0.78231E-04 -0.81020E-04 26148 0.758E-02 0.344E-02
DAV: 5 -0.559978756249E+03 -0.24470E-04 -0.10499E-04 24744 0.289E-02 0.162E-02
DAV: 6 -0.559978778085E+03 -0.21836E-04 -0.16006E-05 18408 0.113E-02 0.739E-03
DAV: 7 -0.559978806476E+03 -0.28390E-04 -0.40932E-06 16764 0.583E-03 0.274E-03
DAV: 8 -0.559978835698E+03 -0.29222E-04 -0.26839E-06 17940 0.445E-03 0.194E-03
DAV: 9 -0.559978868215E+03 -0.32518E-04 -0.21247E-06 17556 0.351E-03 0.124E-03
DAV: 10 -0.559978903731E+03 -0.35516E-04 -0.32795E-06 17760 0.369E-03 0.111E-03
DAV: 11 -0.559978917580E+03 -0.13849E-04 -0.13344E-06 18756 0.224E-03 0.688E-04
DAV: 12 -0.559978925877E+03 -0.82962E-05 -0.83122E-07 17160 0.155E-03
174 F= -.55997893E+03 E0= -.55998279E+03 d E =-.545945E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559982563362E+03 -0.36458E-02 -0.29671E+00 21924 0.425E+00 0.419E-01
DAV: 2 -0.559986243478E+03 -0.36801E-02 -0.61617E-02 23670 0.567E-01 0.270E-01
DAV: 3 -0.559985369968E+03 0.87351E-03 -0.26894E-03 25584 0.146E-01 0.132E-01
DAV: 4 -0.559985266392E+03 0.10358E-03 -0.87691E-04 25920 0.821E-02 0.420E-02
DAV: 5 -0.559985279737E+03 -0.13345E-04 -0.12675E-04 25572 0.304E-02 0.173E-02
DAV: 6 -0.559985289877E+03 -0.10140E-04 -0.19953E-05 19908 0.126E-02 0.825E-03
DAV: 7 -0.559985304143E+03 -0.14266E-04 -0.42538E-06 16080 0.677E-03 0.291E-03
DAV: 8 -0.559985319657E+03 -0.15515E-04 -0.29513E-06 17052 0.450E-03 0.198E-03
DAV: 9 -0.559985332404E+03 -0.12747E-04 -0.88086E-07 16644 0.256E-03 0.107E-03
DAV: 10 -0.559985352739E+03 -0.20335E-04 -0.19356E-06 17376 0.260E-03 0.108E-03
DAV: 11 -0.559985362092E+03 -0.93532E-05 -0.70117E-07 18060 0.172E-03
175 F= -.55998536E+03 E0= -.55998923E+03 d E =-.643622E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559985489253E+03 -0.13651E-03 -0.63524E-01 21924 0.197E+00 0.193E-01
DAV: 2 -0.559986255779E+03 -0.76653E-03 -0.13076E-02 23706 0.262E-01 0.125E-01
DAV: 3 -0.559986069961E+03 0.18582E-03 -0.58206E-04 24924 0.681E-02 0.606E-02
DAV: 4 -0.559986052251E+03 0.17710E-04 -0.18561E-04 26004 0.378E-02 0.193E-02
DAV: 5 -0.559986056412E+03 -0.41612E-05 -0.25678E-05 21792 0.140E-02
176 F= -.55998606E+03 E0= -.55998993E+03 d E =-.713054E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559988684812E+03 -0.26326E-02 -0.26778E+00 21924 0.405E+00 0.400E-01
DAV: 2 -0.559991713051E+03 -0.30282E-02 -0.53870E-02 22956 0.536E-01 0.256E-01
DAV: 3 -0.559990939017E+03 0.77403E-03 -0.24264E-03 25932 0.141E-01 0.123E-01
DAV: 4 -0.559990850037E+03 0.88981E-04 -0.75791E-04 25956 0.770E-02 0.388E-02
DAV: 5 -0.559990869607E+03 -0.19571E-04 -0.11609E-04 25428 0.302E-02 0.170E-02
DAV: 6 -0.559990884064E+03 -0.14457E-04 -0.18220E-05 17916 0.128E-02 0.799E-03
DAV: 7 -0.559990903345E+03 -0.19281E-04 -0.44150E-06 16578 0.678E-03 0.303E-03
DAV: 8 -0.559990923473E+03 -0.20128E-04 -0.27846E-06 17424 0.481E-03 0.198E-03
DAV: 9 -0.559990945615E+03 -0.22142E-04 -0.14824E-06 17496 0.335E-03 0.121E-03
DAV: 10 -0.559990968790E+03 -0.23175E-04 -0.17274E-06 17940 0.304E-03 0.915E-04
DAV: 11 -0.559990986688E+03 -0.17898E-04 -0.15477E-06 18132 0.255E-03 0.592E-04
DAV: 12 -0.559990995571E+03 -0.88832E-05 -0.91780E-07 18240 0.173E-03
177 F= -.55999100E+03 E0= -.55999486E+03 d E =-.493916E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559991092607E+03 -0.10592E-03 -0.27088E-01 22020 0.129E+00 0.127E-01
DAV: 2 -0.559991388737E+03 -0.29613E-03 -0.54277E-03 23226 0.170E-01 0.816E-02
DAV: 3 -0.559991313215E+03 0.75522E-04 -0.24944E-04 25170 0.451E-02 0.386E-02
DAV: 4 -0.559991307369E+03 0.58456E-05 -0.75397E-05 25908 0.243E-02
178 F= -.55999131E+03 E0= -.55999518E+03 d E =-.525096E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559993560917E+03 -0.22477E-02 -0.15048E+00 21924 0.306E+00 0.293E-01
DAV: 2 -0.559995402970E+03 -0.18421E-02 -0.30406E-02 23706 0.402E-01 0.189E-01
DAV: 3 -0.559994991575E+03 0.41140E-03 -0.12127E-03 26040 0.101E-01 0.929E-02
DAV: 4 -0.559994955547E+03 0.36028E-04 -0.42638E-04 25692 0.563E-02 0.278E-02
DAV: 5 -0.559994966697E+03 -0.11150E-04 -0.54291E-05 24792 0.203E-02 0.118E-02
DAV: 6 -0.559994974568E+03 -0.78711E-05 -0.85970E-06 16140 0.891E-03
179 F= -.55999497E+03 E0= -.55999884E+03 d E =-.366720E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559995147562E+03 -0.18087E-03 -0.34142E-01 21924 0.146E+00 0.138E-01
DAV: 2 -0.559995561734E+03 -0.41417E-03 -0.69114E-03 24018 0.191E-01 0.902E-02
DAV: 3 -0.559995466774E+03 0.94960E-04 -0.27478E-04 25014 0.482E-02 0.439E-02
DAV: 4 -0.559995465802E+03 0.97218E-06 -0.97421E-05 24408 0.268E-02
180 F= -.55999547E+03 E0= -.55999933E+03 d E =-.415843E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559997598253E+03 -0.21315E-02 -0.16089E+00 21924 0.317E+00 0.294E-01
DAV: 2 -0.559999646633E+03 -0.20484E-02 -0.31680E-02 23388 0.410E-01 0.192E-01
DAV: 3 -0.559999209527E+03 0.43711E-03 -0.11003E-03 25416 0.100E-01 0.956E-02
DAV: 4 -0.559999177244E+03 0.32284E-04 -0.50212E-04 25656 0.621E-02 0.260E-02
DAV: 5 -0.559999194602E+03 -0.17358E-04 -0.68146E-05 23952 0.227E-02 0.126E-02
DAV: 6 -0.559999207680E+03 -0.13079E-04 -0.10477E-05 16260 0.938E-03 0.549E-03
DAV: 7 -0.559999222253E+03 -0.14572E-04 -0.28230E-06 17040 0.474E-03 0.222E-03
DAV: 8 -0.559999236071E+03 -0.13818E-04 -0.14858E-06 16764 0.346E-03 0.131E-03
DAV: 9 -0.559999248194E+03 -0.12124E-04 -0.84175E-07 17616 0.218E-03 0.871E-04
DAV: 10 -0.559999262220E+03 -0.14025E-04 -0.11136E-06 17724 0.212E-03 0.642E-04
DAV: 11 -0.559999269280E+03 -0.70602E-05 -0.56468E-07 17652 0.134E-03
181 F= -.55999927E+03 E0= -.56000314E+03 d E =-.380348E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.559999508926E+03 -0.24671E-03 -0.31993E-01 21924 0.141E+00 0.130E-01
DAV: 2 -0.559999906710E+03 -0.39778E-03 -0.62850E-03 24492 0.182E-01 0.858E-02
DAV: 3 -0.559999822951E+03 0.83759E-04 -0.22141E-04 25194 0.447E-02 0.422E-02
DAV: 4 -0.559999819773E+03 0.31776E-05 -0.98197E-05 25656 0.273E-02
182 F= -.55999982E+03 E0= -.56000369E+03 d E =-.435397E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560001813431E+03 -0.19905E-02 -0.15315E+00 21924 0.310E+00 0.294E-01
DAV: 2 -0.560003819758E+03 -0.20063E-02 -0.31506E-02 23316 0.412E-01 0.191E-01
DAV: 3 -0.560003411329E+03 0.40843E-03 -0.11912E-03 26928 0.101E-01 0.100E-01
DAV: 4 -0.560003352224E+03 0.59104E-04 -0.50708E-04 25512 0.626E-02 0.272E-02
DAV: 5 -0.560003362099E+03 -0.98744E-05 -0.77855E-05 25764 0.246E-02
183 F= -.56000336E+03 E0= -.56000723E+03 d E =-.354233E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560003462504E+03 -0.11028E-03 -0.21006E-01 21924 0.115E+00 0.109E-01
DAV: 2 -0.560003740941E+03 -0.27844E-03 -0.43599E-03 22836 0.153E-01 0.708E-02
DAV: 3 -0.560003687388E+03 0.53552E-04 -0.15715E-04 26772 0.368E-02 0.372E-02
DAV: 4 -0.560003687530E+03 -0.14113E-06 -0.72104E-05 23748 0.236E-02
184 F= -.56000369E+03 E0= -.56000756E+03 d E =-.386776E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560005265979E+03 -0.15786E-02 -0.15198E+00 21924 0.309E+00 0.297E-01
DAV: 2 -0.560007121261E+03 -0.18553E-02 -0.30428E-02 23118 0.407E-01 0.188E-01
DAV: 3 -0.560006710473E+03 0.41079E-03 -0.12113E-03 25410 0.101E-01 0.933E-02
DAV: 4 -0.560006674179E+03 0.36293E-04 -0.45054E-04 25932 0.584E-02 0.273E-02
DAV: 5 -0.560006689418E+03 -0.15239E-04 -0.60217E-05 23868 0.211E-02 0.122E-02
DAV: 6 -0.560006701709E+03 -0.12291E-04 -0.89938E-06 16116 0.874E-03 0.566E-03
DAV: 7 -0.560006716725E+03 -0.15016E-04 -0.27432E-06 16950 0.464E-03 0.208E-03
DAV: 8 -0.560006730820E+03 -0.14096E-04 -0.14885E-06 16800 0.330E-03 0.129E-03
DAV: 9 -0.560006742867E+03 -0.12046E-04 -0.73463E-07 17868 0.188E-03 0.818E-04
DAV: 10 -0.560006758383E+03 -0.15517E-04 -0.12096E-06 17628 0.203E-03 0.727E-04
DAV: 11 -0.560006765877E+03 -0.74937E-05 -0.55808E-07 17820 0.136E-03
185 F= -.56000677E+03 E0= -.56001063E+03 d E =-.307835E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560006908978E+03 -0.15059E-03 -0.19391E-01 22212 0.110E+00 0.105E-01
DAV: 2 -0.560007137762E+03 -0.22878E-03 -0.38635E-03 24570 0.145E-01 0.674E-02
DAV: 3 -0.560007086181E+03 0.51581E-04 -0.15585E-04 25068 0.361E-02 0.329E-02
DAV: 4 -0.560007084052E+03 0.21293E-05 -0.56736E-05 25296 0.205E-02
186 F= -.56000708E+03 E0= -.56001095E+03 d E =-.339652E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560009350862E+03 -0.22647E-02 -0.93195E-01 21924 0.243E+00 0.242E-01
DAV: 2 -0.560010332048E+03 -0.98119E-03 -0.18929E-02 23244 0.324E-01 0.151E-01
DAV: 3 -0.560010043403E+03 0.28864E-03 -0.90488E-04 26172 0.866E-02 0.707E-02
DAV: 4 -0.560010016398E+03 0.27005E-04 -0.27655E-04 25896 0.476E-02 0.229E-02
DAV: 5 -0.560010024278E+03 -0.78805E-05 -0.37852E-05 22668 0.176E-02
187 F= -.56001002E+03 E0= -.56001389E+03 d E =-.294023E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560010215199E+03 -0.19880E-03 -0.97567E-01 21924 0.249E+00 0.247E-01
DAV: 2 -0.560011255108E+03 -0.10399E-02 -0.19953E-02 23208 0.331E-01 0.154E-01
DAV: 3 -0.560010936798E+03 0.31831E-03 -0.91325E-04 25776 0.878E-02 0.723E-02
DAV: 4 -0.560010913652E+03 0.23146E-04 -0.29863E-04 25932 0.487E-02 0.232E-02
DAV: 5 -0.560010929604E+03 -0.15952E-04 -0.39486E-05 21588 0.179E-02 0.101E-02
DAV: 6 -0.560010944243E+03 -0.14639E-04 -0.69681E-06 16152 0.788E-03 0.472E-03
DAV: 7 -0.560010961300E+03 -0.17057E-04 -0.24112E-06 17208 0.419E-03 0.190E-03
DAV: 8 -0.560010977649E+03 -0.16349E-04 -0.15016E-06 17784 0.339E-03 0.130E-03
DAV: 9 -0.560010992510E+03 -0.14861E-04 -0.10051E-06 17400 0.251E-03 0.861E-04
DAV: 10 -0.560011008482E+03 -0.15972E-04 -0.14410E-06 17772 0.257E-03 0.638E-04
DAV: 11 -0.560011014379E+03 -0.58968E-05 -0.56728E-07 17280 0.146E-03
188 F= -.56001101E+03 E0= -.56001488E+03 d E =-.393033E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560012516912E+03 -0.15084E-02 -0.32230E-01 21954 0.142E+00 0.144E-01
DAV: 2 -0.560012839680E+03 -0.32277E-03 -0.65123E-03 22788 0.189E-01 0.896E-02
DAV: 3 -0.560012744911E+03 0.94769E-04 -0.30984E-04 25860 0.504E-02 0.427E-02
DAV: 4 -0.560012737532E+03 0.73795E-05 -0.98035E-05 25836 0.283E-02
189 F= -.56001274E+03 E0= -.56001661E+03 d E =-.172315E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560013519450E+03 -0.77454E-03 -0.15363E+00 21924 0.310E+00 0.316E-01
DAV: 2 -0.560015097581E+03 -0.15781E-02 -0.31179E-02 22602 0.415E-01 0.196E-01
DAV: 3 -0.560014633004E+03 0.46458E-03 -0.14617E-03 26772 0.110E-01 0.944E-02
DAV: 4 -0.560014580324E+03 0.52680E-04 -0.47859E-04 26040 0.627E-02 0.302E-02
DAV: 5 -0.560014592946E+03 -0.12622E-04 -0.70846E-05 24612 0.235E-02 0.139E-02
DAV: 6 -0.560014604584E+03 -0.11638E-04 -0.15244E-05 18732 0.113E-02 0.664E-03
DAV: 7 -0.560014618240E+03 -0.13656E-04 -0.28632E-06 16134 0.577E-03 0.259E-03
DAV: 8 -0.560014632337E+03 -0.14097E-04 -0.25520E-06 17688 0.445E-03 0.190E-03
DAV: 9 -0.560014641756E+03 -0.94199E-05 -0.67290E-07 16848 0.248E-03
190 F= -.56001464E+03 E0= -.56001851E+03 d E =-.362738E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560014650162E+03 -0.17826E-04 -0.13214E-01 22032 0.912E-01 0.916E-02
DAV: 2 -0.560014781563E+03 -0.13140E-03 -0.26718E-03 24252 0.121E-01 0.573E-02
DAV: 3 -0.560014743266E+03 0.38297E-04 -0.12438E-04 25806 0.320E-02 0.273E-02
DAV: 4 -0.560014743673E+03 -0.40733E-06 -0.40062E-05 21672 0.182E-02
191 F= -.56001474E+03 E0= -.56001861E+03 d E =-.372929E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560016617434E+03 -0.18742E-02 -0.41978E-01 21924 0.163E+00 0.162E-01
DAV: 2 -0.560017046327E+03 -0.42889E-03 -0.84243E-03 23160 0.219E-01 0.101E-01
DAV: 3 -0.560016926662E+03 0.11967E-03 -0.38434E-04 25146 0.559E-02 0.483E-02
DAV: 4 -0.560016921457E+03 0.52043E-05 -0.13566E-04 25572 0.330E-02 0.149E-02
DAV: 5 -0.560016927826E+03 -0.63683E-05 -0.14405E-05 16068 0.118E-02
192 F= -.56001693E+03 E0= -.56002080E+03 d E =-.218415E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560017157609E+03 -0.23615E-03 -0.22213E+00 21924 0.375E+00 0.372E-01
DAV: 2 -0.560019502218E+03 -0.23446E-02 -0.44869E-02 23160 0.504E-01 0.231E-01
DAV: 3 -0.560018851029E+03 0.65119E-03 -0.19922E-03 25446 0.128E-01 0.111E-01
DAV: 4 -0.560018794548E+03 0.56481E-04 -0.73048E-04 26124 0.761E-02 0.342E-02
DAV: 5 -0.560018812164E+03 -0.17615E-04 -0.86056E-05 24132 0.274E-02 0.161E-02
DAV: 6 -0.560018829124E+03 -0.16960E-04 -0.27030E-05 22320 0.142E-02 0.779E-03
DAV: 7 -0.560018844713E+03 -0.15590E-04 -0.37364E-06 16608 0.660E-03 0.319E-03
DAV: 8 -0.560018862754E+03 -0.18040E-04 -0.45199E-06 17352 0.570E-03 0.259E-03
DAV: 9 -0.560018871979E+03 -0.92258E-05 -0.90362E-07 17304 0.302E-03
193 F= -.56001887E+03 E0= -.56002274E+03 d E =-.412831E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560020936595E+03 -0.20738E-02 -0.64414E-01 21924 0.202E+00 0.199E-01
DAV: 2 -0.560021597568E+03 -0.66097E-03 -0.12624E-02 23064 0.267E-01 0.124E-01
DAV: 3 -0.560021413000E+03 0.18457E-03 -0.56378E-04 24876 0.692E-02 0.591E-02
DAV: 4 -0.560021404159E+03 0.88408E-05 -0.20066E-04 25500 0.391E-02 0.181E-02
DAV: 5 -0.560021412441E+03 -0.82816E-05 -0.22392E-05 20220 0.143E-02
194 F= -.56002141E+03 E0= -.56002528E+03 d E =-.254046E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560021189354E+03 0.21481E-03 -0.38507E+00 21924 0.495E+00 0.491E-01
DAV: 2 -0.560025247064E+03 -0.40577E-02 -0.76121E-02 22356 0.654E-01 0.302E-01
DAV: 3 -0.560024139169E+03 0.11079E-02 -0.33755E-03 25584 0.170E-01 0.147E-01
DAV: 4 -0.560024038591E+03 0.10058E-03 -0.12157E-03 26196 0.966E-02 0.453E-02
DAV: 5 -0.560024065331E+03 -0.26739E-04 -0.14498E-04 24912 0.355E-02 0.204E-02
DAV: 6 -0.560024087595E+03 -0.22264E-04 -0.32220E-05 23352 0.155E-02 0.953E-03
DAV: 7 -0.560024111433E+03 -0.23838E-04 -0.47625E-06 16854 0.695E-03 0.357E-03
DAV: 8 -0.560024137208E+03 -0.25775E-04 -0.40677E-06 17784 0.511E-03 0.240E-03
DAV: 9 -0.560024156913E+03 -0.19705E-04 -0.12428E-06 17376 0.317E-03 0.133E-03
DAV: 10 -0.560024191494E+03 -0.34581E-04 -0.35954E-06 17520 0.421E-03 0.217E-03
DAV: 11 -0.560024203617E+03 -0.12123E-04 -0.11134E-06 18384 0.266E-03 0.978E-04
DAV: 12 -0.560024218063E+03 -0.14445E-04 -0.20461E-06 17460 0.288E-03 0.146E-03
DAV: 13 -0.560024222644E+03 -0.45814E-05 -0.59761E-07 17412 0.170E-03
195 F= -.56002422E+03 E0= -.56002809E+03 d E =-.535066E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560026550787E+03 -0.23327E-02 -0.11920E+00 21924 0.276E+00 0.268E-01
DAV: 2 -0.560027950299E+03 -0.13995E-02 -0.23937E-02 23046 0.365E-01 0.168E-01
DAV: 3 -0.560027629745E+03 0.32055E-03 -0.94595E-04 25560 0.894E-02 0.835E-02
DAV: 4 -0.560027594413E+03 0.35332E-04 -0.34551E-04 25836 0.517E-02 0.235E-02
DAV: 5 -0.560027600424E+03 -0.60112E-05 -0.46752E-05 25188 0.189E-02
196 F= -.56002760E+03 E0= -.56003147E+03 d E =-.337778E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560027667520E+03 -0.73107E-04 -0.10104E+00 21924 0.255E+00 0.247E-01
DAV: 2 -0.560028863213E+03 -0.11957E-02 -0.20345E-02 22440 0.336E-01 0.155E-01
DAV: 3 -0.560028587086E+03 0.27613E-03 -0.78620E-04 25656 0.816E-02 0.772E-02
DAV: 4 -0.560028558332E+03 0.28754E-04 -0.29737E-04 25728 0.480E-02 0.216E-02
DAV: 5 -0.560028569446E+03 -0.11114E-04 -0.40132E-05 22680 0.177E-02 0.101E-02
DAV: 6 -0.560028578691E+03 -0.92451E-05 -0.73678E-06 16104 0.793E-03
197 F= -.56002858E+03 E0= -.56003245E+03 d E =-.435605E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560030727512E+03 -0.21581E-02 -0.15070E+00 21924 0.310E+00 0.303E-01
DAV: 2 -0.560032410110E+03 -0.16826E-02 -0.30297E-02 23310 0.411E-01 0.188E-01
DAV: 3 -0.560031968709E+03 0.44140E-03 -0.11667E-03 25476 0.995E-02 0.912E-02
DAV: 4 -0.560031930287E+03 0.38421E-04 -0.46768E-04 26088 0.599E-02 0.259E-02
DAV: 5 -0.560031947645E+03 -0.17357E-04 -0.60943E-05 23688 0.219E-02 0.122E-02
DAV: 6 -0.560031962213E+03 -0.14568E-04 -0.11622E-05 16428 0.101E-02 0.555E-03
DAV: 7 -0.560031977476E+03 -0.15263E-04 -0.29473E-06 17244 0.527E-03 0.226E-03
DAV: 8 -0.560031993062E+03 -0.15586E-04 -0.22647E-06 17508 0.455E-03 0.167E-03
DAV: 9 -0.560032002619E+03 -0.95569E-05 -0.80115E-07 17148 0.263E-03
198 F= -.56003200E+03 E0= -.56003587E+03 d E =-.342393E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560031451369E+03 0.54169E-03 -0.26349E+00 21924 0.410E+00 0.401E-01
DAV: 2 -0.560034410696E+03 -0.29593E-02 -0.53040E-02 23196 0.543E-01 0.248E-01
DAV: 3 -0.560033651521E+03 0.75917E-03 -0.20292E-03 25362 0.131E-01 0.121E-01
DAV: 4 -0.560033572390E+03 0.79132E-04 -0.82363E-04 26172 0.795E-02 0.344E-02
DAV: 5 -0.560033591154E+03 -0.18765E-04 -0.10781E-04 24288 0.291E-02 0.162E-02
DAV: 6 -0.560033605362E+03 -0.14208E-04 -0.22801E-05 20640 0.134E-02 0.775E-03
DAV: 7 -0.560033619761E+03 -0.14399E-04 -0.41310E-06 16308 0.703E-03 0.285E-03
DAV: 8 -0.560033635146E+03 -0.15385E-04 -0.36383E-06 17640 0.544E-03 0.232E-03
DAV: 9 -0.560033644158E+03 -0.90118E-05 -0.94542E-07 17112 0.321E-03
199 F= -.56003364E+03 E0= -.56003751E+03 d E =-.506547E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560036617053E+03 -0.29819E-02 -0.20783E+00 21924 0.363E+00 0.370E-01
DAV: 2 -0.560038568159E+03 -0.19511E-02 -0.41490E-02 22452 0.482E-01 0.226E-01
DAV: 3 -0.560037898694E+03 0.66946E-03 -0.19504E-03 25296 0.127E-01 0.107E-01
DAV: 4 -0.560037837150E+03 0.61544E-04 -0.66441E-04 26172 0.716E-02 0.341E-02
DAV: 5 -0.560037854873E+03 -0.17723E-04 -0.87965E-05 25188 0.268E-02 0.155E-02
DAV: 6 -0.560037868028E+03 -0.13154E-04 -0.14735E-05 16536 0.119E-02 0.674E-03
DAV: 7 -0.560037883796E+03 -0.15769E-04 -0.38272E-06 17022 0.578E-03 0.256E-03
DAV: 8 -0.560037899247E+03 -0.15450E-04 -0.19628E-06 17340 0.426E-03 0.153E-03
DAV: 9 -0.560037912448E+03 -0.13201E-04 -0.88070E-07 17184 0.248E-03 0.108E-03
DAV: 10 -0.560037929266E+03 -0.16818E-04 -0.11916E-06 17712 0.255E-03 0.703E-04
DAV: 11 -0.560037940858E+03 -0.11592E-04 -0.98022E-07 18480 0.199E-03 0.580E-04
DAV: 12 -0.560037946495E+03 -0.56365E-05 -0.53762E-07 17760 0.145E-03
200 F= -.56003795E+03 E0= -.56004181E+03 d E =-.430234E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560037911081E+03 0.29777E-04 -0.26092E+00 21924 0.406E+00 0.416E-01
DAV: 2 -0.560040366011E+03 -0.24549E-02 -0.52246E-02 22878 0.541E-01 0.253E-01
DAV: 3 -0.560039533757E+03 0.83225E-03 -0.24744E-03 25860 0.143E-01 0.120E-01
DAV: 4 -0.560039451217E+03 0.82540E-04 -0.83482E-04 26136 0.804E-02 0.385E-02
DAV: 5 -0.560039467450E+03 -0.16232E-04 -0.11075E-04 25668 0.300E-02 0.175E-02
DAV: 6 -0.560039478509E+03 -0.11059E-04 -0.20195E-05 19872 0.135E-02 0.772E-03
DAV: 7 -0.560039491848E+03 -0.13339E-04 -0.35865E-06 16254 0.618E-03 0.285E-03
DAV: 8 -0.560039506512E+03 -0.14664E-04 -0.27720E-06 17340 0.476E-03 0.189E-03
DAV: 9 -0.560039516683E+03 -0.10171E-04 -0.72880E-07 17112 0.260E-03 0.115E-03
DAV: 10 -0.560039535109E+03 -0.18426E-04 -0.15510E-06 17370 0.306E-03 0.102E-03
DAV: 11 -0.560039545058E+03 -0.99489E-05 -0.78945E-07 18624 0.198E-03
201 F= -.56003955E+03 E0= -.56004341E+03 d E =-.590090E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560042222150E+03 -0.26870E-02 -0.20349E+00 21924 0.358E+00 0.374E-01
DAV: 2 -0.560044121226E+03 -0.18991E-02 -0.40917E-02 22524 0.478E-01 0.226E-01
DAV: 3 -0.560043469483E+03 0.65174E-03 -0.20453E-03 25404 0.128E-01 0.106E-01
DAV: 4 -0.560043403295E+03 0.66188E-04 -0.60584E-04 26172 0.687E-02 0.337E-02
DAV: 5 -0.560043416423E+03 -0.13128E-04 -0.81877E-05 25452 0.253E-02 0.146E-02
DAV: 6 -0.560043426015E+03 -0.95922E-05 -0.11675E-05 15600 0.107E-02
202 F= -.56004343E+03 E0= -.56004729E+03 d E =-.388096E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560039129568E+03 0.42869E-02 -0.84633E+00 21924 0.731E+00 0.772E-01
DAV: 2 -0.560047104246E+03 -0.79747E-02 -0.17207E-01 22338 0.979E-01 0.462E-01
DAV: 3 -0.560044367720E+03 0.27365E-02 -0.83985E-03 25416 0.260E-01 0.220E-01
DAV: 4 -0.560044054687E+03 0.31303E-03 -0.26030E-03 26232 0.142E-01 0.705E-02
DAV: 5 -0.560044117737E+03 -0.63050E-04 -0.35582E-04 24852 0.529E-02 0.305E-02
DAV: 6 -0.560044163164E+03 -0.45427E-04 -0.59210E-05 25584 0.221E-02 0.140E-02
DAV: 7 -0.560044216556E+03 -0.53392E-04 -0.87714E-06 17304 0.944E-03 0.493E-03
DAV: 8 -0.560044265207E+03 -0.48651E-04 -0.76370E-06 18252 0.728E-03 0.332E-03
DAV: 9 -0.560044302032E+03 -0.36825E-04 -0.23651E-06 17868 0.418E-03 0.203E-03
DAV: 10 -0.560044364129E+03 -0.62097E-04 -0.61472E-06 17274 0.519E-03 0.202E-03
DAV: 11 -0.560044394120E+03 -0.29991E-04 -0.30133E-06 18804 0.334E-03 0.121E-03
DAV: 12 -0.560044411652E+03 -0.17531E-04 -0.22315E-06 17868 0.304E-03 0.109E-03
DAV: 13 -0.560044418572E+03 -0.69200E-05 -0.89566E-07 18576 0.172E-03
203 F= -.56004442E+03 E0= -.56004829E+03 d E =-.487351E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560044328373E+03 0.83279E-04 -0.13854E+00 21924 0.295E+00 0.305E-01
DAV: 2 -0.560045640838E+03 -0.13125E-02 -0.27513E-02 24324 0.393E-01 0.187E-01
DAV: 3 -0.560045200709E+03 0.44013E-03 -0.14263E-03 26400 0.106E-01 0.856E-02
DAV: 4 -0.560045157774E+03 0.42935E-04 -0.39835E-04 26112 0.559E-02 0.270E-02
DAV: 5 -0.560045161399E+03 -0.36252E-05 -0.53119E-05 25356 0.205E-02
204 F= -.56004516E+03 E0= -.56004903E+03 d E =-.561634E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560047946098E+03 -0.27883E-02 -0.24427E+00 21924 0.393E+00 0.413E-01
DAV: 2 -0.560050095428E+03 -0.21493E-02 -0.48565E-02 23808 0.524E-01 0.246E-01
DAV: 3 -0.560049313341E+03 0.78209E-03 -0.25514E-03 26040 0.144E-01 0.112E-01
DAV: 4 -0.560049251200E+03 0.62141E-04 -0.73931E-04 25728 0.758E-02 0.367E-02
DAV: 5 -0.560049261455E+03 -0.10255E-04 -0.88896E-05 27156 0.268E-02 0.157E-02
DAV: 6 -0.560049265825E+03 -0.43696E-05 -0.13369E-05 17124 0.115E-02
205 F= -.56004927E+03 E0= -.56005313E+03 d E =-.410443E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560049401610E+03 -0.14015E-03 -0.18698E+00 21924 0.344E+00 0.361E-01
DAV: 2 -0.560051016614E+03 -0.16150E-02 -0.37179E-02 22596 0.458E-01 0.215E-01
DAV: 3 -0.560050377755E+03 0.63886E-03 -0.19234E-03 25764 0.125E-01 0.984E-02
DAV: 4 -0.560050328813E+03 0.48942E-04 -0.57258E-04 26220 0.666E-02 0.319E-02
DAV: 5 -0.560050352544E+03 -0.23731E-04 -0.68605E-05 23988 0.237E-02 0.138E-02
DAV: 6 -0.560050372269E+03 -0.19725E-04 -0.10794E-05 16860 0.100E-02 0.621E-03
DAV: 7 -0.560050395851E+03 -0.23582E-04 -0.36042E-06 17664 0.500E-03 0.238E-03
DAV: 8 -0.560050416010E+03 -0.20158E-04 -0.16544E-06 17676 0.358E-03 0.138E-03
DAV: 9 -0.560050438568E+03 -0.22558E-04 -0.15960E-06 17700 0.273E-03 0.114E-03
DAV: 10 -0.560050457817E+03 -0.19249E-04 -0.15995E-06 18276 0.247E-03 0.720E-04
DAV: 11 -0.560050468268E+03 -0.10451E-04 -0.92260E-07 18408 0.165E-03 0.533E-04
DAV: 12 -0.560050474341E+03 -0.60733E-05 -0.67432E-07 17964 0.135E-03
206 F= -.56005047E+03 E0= -.56005434E+03 d E =-.531294E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560053479592E+03 -0.30113E-02 -0.21618E+00 21924 0.371E+00 0.378E-01
DAV: 2 -0.560055421031E+03 -0.19414E-02 -0.41512E-02 22914 0.486E-01 0.228E-01
DAV: 3 -0.560054733797E+03 0.68723E-03 -0.19244E-03 25668 0.130E-01 0.106E-01
DAV: 4 -0.560054677479E+03 0.56318E-04 -0.70126E-04 26208 0.725E-02 0.328E-02
DAV: 5 -0.560054689673E+03 -0.12194E-04 -0.80073E-05 25572 0.255E-02 0.153E-02
DAV: 6 -0.560054699279E+03 -0.96056E-05 -0.15270E-05 17088 0.117E-02
207 F= -.56005470E+03 E0= -.56005857E+03 d E =-.422494E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560052891446E+03 0.17982E-02 -0.94786E+00 21924 0.776E+00 0.802E-01
DAV: 2 -0.560061487704E+03 -0.85963E-02 -0.18406E-01 22338 0.102E+00 0.478E-01
DAV: 3 -0.560058453226E+03 0.30345E-02 -0.83176E-03 25608 0.271E-01 0.228E-01
DAV: 4 -0.560058157615E+03 0.29561E-03 -0.31639E-03 26316 0.154E-01 0.705E-02
DAV: 5 -0.560058222249E+03 -0.64634E-04 -0.37090E-04 24984 0.550E-02 0.327E-02
DAV: 6 -0.560058273968E+03 -0.51719E-04 -0.79089E-05 24924 0.250E-02 0.145E-02
DAV: 7 -0.560058323754E+03 -0.49786E-04 -0.10118E-05 17784 0.115E-02 0.545E-03
DAV: 8 -0.560058374311E+03 -0.50557E-04 -0.11436E-05 18576 0.935E-03 0.435E-03
DAV: 9 -0.560058403651E+03 -0.29340E-04 -0.28732E-06 17916 0.566E-03 0.250E-03
DAV: 10 -0.560058462699E+03 -0.59049E-04 -0.67910E-06 17154 0.711E-03 0.285E-03
DAV: 11 -0.560058493509E+03 -0.30810E-04 -0.33224E-06 18744 0.427E-03 0.218E-03
DAV: 12 -0.560058515565E+03 -0.22056E-04 -0.33517E-06 17748 0.463E-03 0.140E-03
DAV: 13 -0.560058524600E+03 -0.90355E-05 -0.11902E-06 18780 0.227E-03
208 F= -.56005852E+03 E0= -.56006239E+03 d E =-.805026E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560061439015E+03 -0.29235E-02 -0.20815E+00 21924 0.363E+00 0.370E-01
DAV: 2 -0.560063424511E+03 -0.19855E-02 -0.40568E-02 22704 0.479E-01 0.225E-01
DAV: 3 -0.560062764292E+03 0.66022E-03 -0.18226E-03 25488 0.124E-01 0.106E-01
DAV: 4 -0.560062701678E+03 0.62614E-04 -0.66511E-04 26184 0.709E-02 0.319E-02
DAV: 5 -0.560062713182E+03 -0.11504E-04 -0.78917E-05 24684 0.248E-02 0.150E-02
DAV: 6 -0.560062721978E+03 -0.87965E-05 -0.15406E-05 17376 0.114E-02
209 F= -.56006272E+03 E0= -.56006659E+03 d E =-.419738E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560061199194E+03 0.15140E-02 -0.79176E+00 21924 0.709E+00 0.728E-01
DAV: 2 -0.560068802729E+03 -0.76035E-02 -0.15573E-01 22242 0.936E-01 0.439E-01
DAV: 3 -0.560066262122E+03 0.25406E-02 -0.68645E-03 25548 0.242E-01 0.211E-01
DAV: 4 -0.560065982198E+03 0.27992E-03 -0.25865E-03 26220 0.140E-01 0.640E-02
DAV: 5 -0.560066037569E+03 -0.55371E-04 -0.31660E-04 24024 0.496E-02 0.299E-02
DAV: 6 -0.560066080972E+03 -0.43403E-04 -0.68106E-05 24984 0.228E-02 0.132E-02
DAV: 7 -0.560066122116E+03 -0.41143E-04 -0.91773E-06 17676 0.108E-02 0.503E-03
DAV: 8 -0.560066165631E+03 -0.43515E-04 -0.10187E-05 17640 0.872E-03 0.407E-03
DAV: 9 -0.560066189066E+03 -0.23435E-04 -0.24847E-06 17808 0.490E-03 0.234E-03
DAV: 10 -0.560066238120E+03 -0.49053E-04 -0.63868E-06 17148 0.638E-03 0.288E-03
DAV: 11 -0.560066260649E+03 -0.22529E-04 -0.23639E-06 18816 0.372E-03 0.176E-03
DAV: 12 -0.560066280601E+03 -0.19952E-04 -0.33492E-06 17520 0.435E-03 0.161E-03
DAV: 13 -0.560066287925E+03 -0.73243E-05 -0.10496E-06 18696 0.229E-03
210 F= -.56006629E+03 E0= -.56007016E+03 d E =-.776332E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560069626053E+03 -0.33455E-02 -0.30555E+00 21924 0.440E+00 0.460E-01
DAV: 2 -0.560072249126E+03 -0.26231E-02 -0.60259E-02 23094 0.585E-01 0.276E-01
DAV: 3 -0.560071210113E+03 0.10390E-02 -0.30088E-03 25944 0.157E-01 0.128E-01
DAV: 4 -0.560071114671E+03 0.95441E-04 -0.96245E-04 26244 0.863E-02 0.418E-02
DAV: 5 -0.560071134047E+03 -0.19375E-04 -0.12046E-04 25548 0.312E-02 0.189E-02
DAV: 6 -0.560071148517E+03 -0.14470E-04 -0.22408E-05 19800 0.141E-02 0.809E-03
DAV: 7 -0.560071165543E+03 -0.17026E-04 -0.40813E-06 16716 0.623E-03 0.306E-03
DAV: 8 -0.560071183303E+03 -0.17760E-04 -0.28745E-06 17760 0.469E-03 0.199E-03
DAV: 9 -0.560071196823E+03 -0.13519E-04 -0.85794E-07 16980 0.260E-03 0.121E-03
DAV: 10 -0.560071219705E+03 -0.22882E-04 -0.18766E-06 17508 0.290E-03 0.995E-04
DAV: 11 -0.560071232628E+03 -0.12924E-04 -0.96083E-07 18732 0.181E-03 0.655E-04
DAV: 12 -0.560071241456E+03 -0.88273E-05 -0.80217E-07 17928 0.161E-03
211 F= -.56007124E+03 E0= -.56007511E+03 d E =-.495353E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560071070376E+03 0.16225E-03 -0.44630E+00 21924 0.532E+00 0.558E-01
DAV: 2 -0.560074905503E+03 -0.38351E-02 -0.88238E-02 22836 0.708E-01 0.334E-01
DAV: 3 -0.560073388571E+03 0.15169E-02 -0.43874E-03 25872 0.190E-01 0.155E-01
DAV: 4 -0.560073243163E+03 0.14541E-03 -0.14185E-03 26268 0.105E-01 0.509E-02
DAV: 5 -0.560073270738E+03 -0.27575E-04 -0.17795E-04 25452 0.379E-02 0.230E-02
DAV: 6 -0.560073290864E+03 -0.20126E-04 -0.34308E-05 22140 0.171E-02 0.990E-03
DAV: 7 -0.560073313614E+03 -0.22750E-04 -0.54829E-06 16998 0.745E-03 0.369E-03
DAV: 8 -0.560073337544E+03 -0.23930E-04 -0.44708E-06 17982 0.575E-03 0.253E-03
DAV: 9 -0.560073354008E+03 -0.16464E-04 -0.11501E-06 17016 0.316E-03 0.150E-03
DAV: 10 -0.560073385528E+03 -0.31520E-04 -0.29721E-06 17418 0.384E-03 0.145E-03
DAV: 11 -0.560073402004E+03 -0.16475E-04 -0.13156E-06 18780 0.231E-03 0.866E-04
DAV: 12 -0.560073413884E+03 -0.11880E-04 -0.12520E-06 17832 0.219E-03 0.804E-04
DAV: 13 -0.560073419119E+03 -0.52356E-05 -0.58195E-07 18300 0.130E-03
212 F= -.56007342E+03 E0= -.56007729E+03 d E =-.713119E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560077765124E+03 -0.43512E-02 -0.37522E+00 21924 0.487E+00 0.526E-01
DAV: 2 -0.560080405745E+03 -0.26406E-02 -0.73055E-02 23166 0.648E-01 0.310E-01
DAV: 3 -0.560079094354E+03 0.13114E-02 -0.41818E-03 25968 0.179E-01 0.140E-01
DAV: 4 -0.560078967498E+03 0.12686E-03 -0.11108E-03 26292 0.946E-02 0.476E-02
DAV: 5 -0.560078988430E+03 -0.20932E-04 -0.14217E-04 26028 0.339E-02 0.211E-02
DAV: 6 -0.560079007275E+03 -0.18845E-04 -0.31248E-05 22020 0.164E-02 0.945E-03
DAV: 7 -0.560079028057E+03 -0.20782E-04 -0.48483E-06 17208 0.736E-03 0.365E-03
DAV: 8 -0.560079049942E+03 -0.21885E-04 -0.48062E-06 17688 0.596E-03 0.261E-03
DAV: 9 -0.560079064418E+03 -0.14476E-04 -0.10490E-06 17064 0.312E-03 0.155E-03
DAV: 10 -0.560079094441E+03 -0.30023E-04 -0.29853E-06 17388 0.395E-03 0.150E-03
DAV: 11 -0.560079110889E+03 -0.16448E-04 -0.14095E-06 18708 0.238E-03 0.991E-04
DAV: 12 -0.560079121046E+03 -0.10157E-04 -0.11404E-06 17964 0.227E-03 0.778E-04
DAV: 13 -0.560079125875E+03 -0.48286E-05 -0.52262E-07 17988 0.128E-03
213 F= -.56007913E+03 E0= -.56008299E+03 d E =-.570676E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560076907720E+03 0.22133E-02 -0.21131E+01 21924 0.116E+01 0.128E+00
DAV: 2 -0.560091950753E+03 -0.15043E-01 -0.42039E-01 23082 0.155E+00 0.735E-01
DAV: 3 -0.560084727724E+03 0.72230E-02 -0.22981E-02 26052 0.421E-01 0.345E-01
DAV: 4 -0.560083921875E+03 0.80585E-03 -0.66023E-03 26352 0.231E-01 0.119E-01
DAV: 5 -0.560084026716E+03 -0.10484E-03 -0.85611E-04 25932 0.843E-02 0.521E-02
DAV: 6 -0.560084110222E+03 -0.83507E-04 -0.19590E-04 24156 0.398E-02 0.232E-02
DAV: 7 -0.560084195332E+03 -0.85110E-04 -0.26736E-05 20340 0.173E-02 0.829E-03
DAV: 8 -0.560084276106E+03 -0.80774E-04 -0.23593E-05 24252 0.128E-02 0.646E-03
DAV: 9 -0.560084324836E+03 -0.48730E-04 -0.43992E-06 18264 0.707E-03 0.339E-03
DAV: 10 -0.560084431487E+03 -0.10665E-03 -0.13944E-05 18576 0.849E-03 0.392E-03
DAV: 11 -0.560084491707E+03 -0.60220E-04 -0.48957E-06 18636 0.523E-03 0.236E-03
DAV: 12 -0.560084532671E+03 -0.40964E-04 -0.65414E-06 17856 0.554E-03 0.226E-03
DAV: 13 -0.560084547029E+03 -0.14358E-04 -0.14921E-06 18840 0.271E-03 0.131E-03
DAV: 14 -0.560084555180E+03 -0.81511E-05 -0.13069E-06 17568 0.241E-03
214 F= -.56008456E+03 E0= -.56008842E+03 d E =-.111361E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560088768382E+03 -0.42214E-02 -0.38555E+00 21924 0.494E+00 0.538E-01
DAV: 2 -0.560091375252E+03 -0.26069E-02 -0.75474E-02 22962 0.660E-01 0.313E-01
DAV: 3 -0.560089964576E+03 0.14107E-02 -0.43325E-03 25896 0.182E-01 0.142E-01
DAV: 4 -0.560089835458E+03 0.12912E-03 -0.12613E-03 26340 0.100E-01 0.479E-02
DAV: 5 -0.560089857098E+03 -0.21640E-04 -0.14610E-04 24660 0.350E-02 0.220E-02
DAV: 6 -0.560089879436E+03 -0.22338E-04 -0.40675E-05 23316 0.178E-02 0.999E-03
DAV: 7 -0.560089901011E+03 -0.21575E-04 -0.56172E-06 17616 0.836E-03 0.389E-03
DAV: 8 -0.560089924346E+03 -0.23335E-04 -0.63874E-06 17520 0.692E-03 0.306E-03
DAV: 9 -0.560089938704E+03 -0.14358E-04 -0.14132E-06 17280 0.377E-03 0.176E-03
DAV: 10 -0.560089966516E+03 -0.27812E-04 -0.37563E-06 17412 0.507E-03 0.231E-03
DAV: 11 -0.560089978960E+03 -0.12444E-04 -0.12383E-06 18828 0.287E-03 0.141E-03
DAV: 12 -0.560089989228E+03 -0.10268E-04 -0.15099E-06 17748 0.290E-03 0.891E-04
DAV: 13 -0.560089994732E+03 -0.55049E-05 -0.62090E-07 18300 0.163E-03
215 F= -.56008999E+03 E0= -.56009386E+03 d E =-.543955E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560089094923E+03 0.89430E-03 -0.15924E+01 21924 0.100E+01 0.111E+00
DAV: 2 -0.560100009400E+03 -0.10914E-01 -0.31786E-01 23796 0.135E+00 0.639E-01
DAV: 3 -0.560094136089E+03 0.58733E-02 -0.17193E-02 25980 0.365E-01 0.296E-01
DAV: 4 -0.560093562351E+03 0.57374E-03 -0.55366E-03 26388 0.206E-01 0.100E-01
DAV: 5 -0.560093649015E+03 -0.86664E-04 -0.61700E-04 24372 0.719E-02 0.457E-02
DAV: 6 -0.560093729911E+03 -0.80896E-04 -0.17458E-04 24792 0.364E-02 0.202E-02
DAV: 7 -0.560093801462E+03 -0.71551E-04 -0.23919E-05 20928 0.168E-02 0.732E-03
DAV: 8 -0.560093871425E+03 -0.69963E-04 -0.21920E-05 23172 0.125E-02 0.621E-03
DAV: 9 -0.560093913158E+03 -0.41733E-04 -0.45914E-06 18504 0.731E-03 0.310E-03
DAV: 10 -0.560093994828E+03 -0.81670E-04 -0.11014E-05 16962 0.839E-03 0.386E-03
DAV: 11 -0.560094037466E+03 -0.42638E-04 -0.42173E-06 18720 0.506E-03 0.243E-03
DAV: 12 -0.560094068668E+03 -0.31202E-04 -0.46951E-06 17724 0.542E-03 0.165E-03
DAV: 13 -0.560094080836E+03 -0.12168E-04 -0.15868E-06 18840 0.261E-03 0.117E-03
DAV: 14 -0.560094086259E+03 -0.54224E-05 -0.78236E-07 17124 0.181E-03
216 F= -.56009409E+03 E0= -.56009795E+03 d E =-.953108E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560098908418E+03 -0.48276E-02 -0.64191E+00 21924 0.638E+00 0.698E-01
DAV: 2 -0.560102995110E+03 -0.40867E-02 -0.12391E-01 23322 0.847E-01 0.406E-01
DAV: 3 -0.560100594362E+03 0.24007E-02 -0.69946E-03 25980 0.240E-01 0.184E-01
DAV: 4 -0.560100381384E+03 0.21298E-03 -0.22093E-03 26364 0.130E-01 0.619E-02
DAV: 5 -0.560100418523E+03 -0.37140E-04 -0.24840E-04 24444 0.455E-02 0.292E-02
DAV: 6 -0.560100454813E+03 -0.36290E-04 -0.64858E-05 24564 0.228E-02 0.128E-02
DAV: 7 -0.560100489767E+03 -0.34954E-04 -0.79841E-06 17886 0.101E-02 0.487E-03
DAV: 8 -0.560100525350E+03 -0.35583E-04 -0.90107E-06 17892 0.809E-03 0.366E-03
DAV: 9 -0.560100546146E+03 -0.20796E-04 -0.18466E-06 17652 0.419E-03 0.222E-03
DAV: 10 -0.560100590701E+03 -0.44556E-04 -0.52202E-06 17286 0.584E-03 0.235E-03
DAV: 11 -0.560100615253E+03 -0.24552E-04 -0.23823E-06 18672 0.349E-03 0.147E-03
DAV: 12 -0.560100630395E+03 -0.15142E-04 -0.20080E-06 18084 0.315E-03 0.927E-04
DAV: 13 -0.560100638344E+03 -0.79495E-05 -0.94279E-07 18540 0.178E-03
217 F= -.56010064E+03 E0= -.56010451E+03 d E =-.655209E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560098501994E+03 0.21284E-02 -0.28540E+01 21924 0.135E+01 0.151E+00
DAV: 2 -0.560116853852E+03 -0.18352E-01 -0.56490E-01 22938 0.181E+00 0.857E-01
DAV: 3 -0.560106502135E+03 0.10352E-01 -0.30440E-02 26040 0.505E-01 0.408E-01
DAV: 4 -0.560105400392E+03 0.11017E-02 -0.10373E-02 26388 0.284E-01 0.138E-01
DAV: 5 -0.560105543228E+03 -0.14284E-03 -0.12244E-03 25380 0.102E-01 0.649E-02
DAV: 6 -0.560105669050E+03 -0.12582E-03 -0.31545E-04 24024 0.500E-02 0.278E-02
DAV: 7 -0.560105784045E+03 -0.11499E-03 -0.42239E-05 25224 0.213E-02 0.101E-02
DAV: 8 -0.560105888591E+03 -0.10455E-03 -0.29653E-05 24288 0.148E-02 0.736E-03
DAV: 9 -0.560105955930E+03 -0.67339E-04 -0.59819E-06 18228 0.830E-03 0.409E-03
DAV: 10 -0.560106085816E+03 -0.12989E-03 -0.17910E-05 18492 0.102E-02 0.452E-03
DAV: 11 -0.560106160748E+03 -0.74932E-04 -0.63702E-06 18612 0.637E-03 0.252E-03
DAV: 12 -0.560106214447E+03 -0.53699E-04 -0.88657E-06 17772 0.648E-03 0.245E-03
DAV: 13 -0.560106231525E+03 -0.17078E-04 -0.20297E-06 18852 0.319E-03 0.147E-03
DAV: 14 -0.560106239702E+03 -0.81773E-05 -0.13801E-06 17772 0.255E-03
218 F= -.56010624E+03 E0= -.56011011E+03 d E =-.121534E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560111820828E+03 -0.55893E-02 -0.58867E+00 21924 0.610E+00 0.667E-01
DAV: 2 -0.560115664204E+03 -0.38434E-02 -0.11291E-01 22806 0.807E-01 0.388E-01
DAV: 3 -0.560113517929E+03 0.21463E-02 -0.63187E-03 25884 0.227E-01 0.175E-01
DAV: 4 -0.560113323458E+03 0.19447E-03 -0.19287E-03 26292 0.122E-01 0.580E-02
DAV: 5 -0.560113358045E+03 -0.34587E-04 -0.22030E-04 25140 0.420E-02 0.271E-02
DAV: 6 -0.560113389259E+03 -0.31214E-04 -0.52080E-05 24774 0.208E-02 0.117E-02
DAV: 7 -0.560113420607E+03 -0.31348E-04 -0.67846E-06 17196 0.887E-03 0.449E-03
DAV: 8 -0.560113451534E+03 -0.30926E-04 -0.74851E-06 18000 0.724E-03 0.333E-03
DAV: 9 -0.560113469195E+03 -0.17661E-04 -0.14198E-06 17244 0.365E-03 0.204E-03
DAV: 10 -0.560113508199E+03 -0.39004E-04 -0.45332E-06 17298 0.499E-03 0.210E-03
DAV: 11 -0.560113529471E+03 -0.21272E-04 -0.18948E-06 18708 0.278E-03 0.133E-03
DAV: 12 -0.560113544000E+03 -0.14529E-04 -0.19823E-06 17844 0.304E-03 0.109E-03
DAV: 13 -0.560113550029E+03 -0.60295E-05 -0.75282E-07 18648 0.170E-03
219 F= -.56011355E+03 E0= -.56011742E+03 d E =-.731033E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560110909346E+03 0.26347E-02 -0.52932E+01 21924 0.183E+01 0.209E+00
DAV: 2 -0.560146358448E+03 -0.35449E-01 -0.10629E+00 22668 0.247E+00 0.117E+00
DAV: 3 -0.560127838202E+03 0.18520E-01 -0.54260E-02 26136 0.676E-01 0.573E-01
DAV: 4 -0.560125623002E+03 0.22152E-02 -0.18969E-02 26388 0.384E-01 0.191E-01
DAV: 5 -0.560125888973E+03 -0.26597E-03 -0.22963E-03 24960 0.137E-01 0.880E-02
DAV: 6 -0.560126082530E+03 -0.19356E-03 -0.55954E-04 24876 0.671E-02 0.368E-02
DAV: 7 -0.560126263207E+03 -0.18068E-03 -0.74477E-05 25032 0.276E-02 0.132E-02
DAV: 8 -0.560126420000E+03 -0.15679E-03 -0.50921E-05 24816 0.190E-02 0.962E-03
DAV: 9 -0.560126513048E+03 -0.93048E-04 -0.92400E-06 18048 0.101E-02 0.539E-03
DAV: 10 -0.560126707791E+03 -0.19474E-03 -0.32980E-05 22620 0.125E-02 0.653E-03
DAV: 11 -0.560126809965E+03 -0.10217E-03 -0.80683E-06 18660 0.770E-03 0.307E-03
DAV: 12 -0.560126892135E+03 -0.82170E-04 -0.18225E-05 19704 0.852E-03 0.413E-03
DAV: 13 -0.560126915777E+03 -0.23643E-04 -0.23257E-06 18876 0.446E-03 0.190E-03
DAV: 14 -0.560126928971E+03 -0.13194E-04 -0.23763E-06 17820 0.328E-03 0.882E-04
DAV: 15 -0.560126936989E+03 -0.80180E-05 -0.72696E-07 18312 0.155E-03
220 F= -.56012694E+03 E0= -.56013080E+03 d E =-.206973E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560034137388E+03 0.92792E-01 -0.21109E+02 21924 0.366E+01 0.455E+00
DAV: 2 -0.560191751430E+03 -0.15761E+00 -0.46810E+00 22398 0.515E+00 0.236E+00
DAV: 3 -0.560121434092E+03 0.70317E-01 -0.21073E-01 26196 0.136E+00 0.132E+00
DAV: 4 -0.560109012824E+03 0.12421E-01 -0.85156E-02 26388 0.823E-01 0.447E-01
DAV: 5 -0.560109928532E+03 -0.91571E-03 -0.11797E-02 25716 0.311E-01 0.191E-01
DAV: 6 -0.560110442358E+03 -0.51383E-03 -0.27185E-03 24660 0.147E-01 0.784E-02
DAV: 7 -0.560110932081E+03 -0.48972E-03 -0.31842E-04 24696 0.570E-02 0.281E-02
DAV: 8 -0.560111368871E+03 -0.43679E-03 -0.20039E-04 25992 0.382E-02 0.194E-02
DAV: 9 -0.560111609475E+03 -0.24060E-03 -0.43852E-05 24528 0.213E-02 0.103E-02
DAV: 10 -0.560112105687E+03 -0.49621E-03 -0.83240E-05 23160 0.209E-02 0.103E-02
DAV: 11 -0.560112394471E+03 -0.28878E-03 -0.33247E-05 22476 0.134E-02 0.588E-03
DAV: 12 -0.560112598967E+03 -0.20450E-03 -0.39487E-05 23520 0.135E-02 0.594E-03
DAV: 13 -0.560112663164E+03 -0.64197E-04 -0.60263E-06 18840 0.708E-03 0.259E-03
DAV: 14 -0.560112695268E+03 -0.32104E-04 -0.62548E-06 17952 0.518E-03 0.177E-03
DAV: 15 -0.560112712033E+03 -0.16765E-04 -0.16546E-06 18432 0.241E-03 0.111E-03
DAV: 16 -0.560112722117E+03 -0.10084E-04 -0.14457E-06 17688 0.239E-03 0.520E-04
DAV: 17 -0.560112725597E+03 -0.34803E-05 -0.59445E-07 17232 0.128E-03
221 F= -.56011273E+03 E0= -.56011659E+03 d E =-.648589E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560083016362E+03 0.29706E-01 -0.11973E+02 21924 0.275E+01 0.288E+00
DAV: 2 -0.560179514397E+03 -0.96498E-01 -0.22543E+00 22368 0.365E+00 0.180E+00
DAV: 3 -0.560131959926E+03 0.47554E-01 -0.14505E-01 26040 0.103E+00 0.784E-01
DAV: 4 -0.560127222776E+03 0.47372E-02 -0.34843E-02 26520 0.528E-01 0.259E-01
DAV: 5 -0.560127456658E+03 -0.23388E-03 -0.43807E-03 24048 0.189E-01 0.113E-01
DAV: 6 -0.560127573616E+03 -0.11696E-03 -0.10363E-03 24204 0.927E-02 0.556E-02
DAV: 7 -0.560127716618E+03 -0.14300E-03 -0.17614E-04 25152 0.403E-02 0.219E-02
DAV: 8 -0.560127880649E+03 -0.16403E-03 -0.97912E-05 25824 0.273E-02 0.133E-02
DAV: 9 -0.560128022878E+03 -0.14223E-03 -0.21801E-05 20088 0.158E-02 0.667E-03
DAV: 10 -0.560128214507E+03 -0.19163E-03 -0.29099E-05 24228 0.138E-02 0.821E-03
DAV: 11 -0.560128332777E+03 -0.11827E-03 -0.10469E-05 19128 0.105E-02 0.330E-03
DAV: 12 -0.560128428888E+03 -0.96112E-04 -0.15249E-05 19116 0.871E-03 0.471E-03
DAV: 13 -0.560128457437E+03 -0.28549E-04 -0.22675E-06 18852 0.459E-03 0.231E-03
DAV: 14 -0.560128476441E+03 -0.19003E-04 -0.32426E-06 17484 0.443E-03 0.175E-03
DAV: 15 -0.560128484660E+03 -0.82188E-05 -0.67790E-07 17664 0.212E-03
222 F= -.56012848E+03 E0= -.56013235E+03 d E =-.222450E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560134346835E+03 -0.58704E-02 -0.13513E+01 21924 0.925E+00 0.103E+00
DAV: 2 -0.560143334008E+03 -0.89872E-02 -0.26557E-01 23766 0.124E+00 0.586E-01
DAV: 3 -0.560138429466E+03 0.49045E-02 -0.14451E-02 26376 0.341E-01 0.272E-01
DAV: 4 -0.560137952320E+03 0.47715E-03 -0.46493E-03 26364 0.189E-01 0.913E-02
DAV: 5 -0.560138034076E+03 -0.81757E-04 -0.53273E-04 24912 0.661E-02 0.423E-02
DAV: 6 -0.560138101252E+03 -0.67176E-04 -0.13185E-04 25416 0.323E-02 0.181E-02
DAV: 7 -0.560138163957E+03 -0.62705E-04 -0.16890E-05 19212 0.139E-02 0.669E-03
DAV: 8 -0.560138223668E+03 -0.59711E-04 -0.17664E-05 22356 0.109E-02 0.541E-03
DAV: 9 -0.560138254400E+03 -0.30732E-04 -0.29207E-06 18024 0.574E-03 0.299E-03
DAV: 10 -0.560138325458E+03 -0.71058E-04 -0.91785E-06 16968 0.727E-03 0.325E-03
DAV: 11 -0.560138364390E+03 -0.38932E-04 -0.35152E-06 18660 0.400E-03 0.218E-03
DAV: 12 -0.560138392315E+03 -0.27925E-04 -0.41557E-06 17856 0.489E-03 0.173E-03
DAV: 13 -0.560138402694E+03 -0.10379E-04 -0.13112E-06 18828 0.243E-03 0.112E-03
DAV: 14 -0.560138406927E+03 -0.42329E-05 -0.71717E-07 16764 0.170E-03
223 F= -.56013841E+03 E0= -.56014227E+03 d E =-.992227E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560119766918E+03 0.18636E-01 -0.88925E+01 21924 0.237E+01 0.278E+00
DAV: 2 -0.560181842908E+03 -0.62076E-01 -0.18606E+00 22608 0.326E+00 0.151E+00
DAV: 3 -0.560151123546E+03 0.30719E-01 -0.90615E-02 26040 0.870E-01 0.777E-01
DAV: 4 -0.560146962156E+03 0.41614E-02 -0.34012E-02 26436 0.516E-01 0.263E-01
DAV: 5 -0.560147415514E+03 -0.45336E-03 -0.43500E-03 24972 0.189E-01 0.118E-01
DAV: 6 -0.560147704504E+03 -0.28899E-03 -0.10318E-03 24480 0.904E-02 0.492E-02
DAV: 7 -0.560147967968E+03 -0.26346E-03 -0.13164E-04 25620 0.367E-02 0.173E-02
DAV: 8 -0.560148200226E+03 -0.23226E-03 -0.84389E-05 25488 0.250E-02 0.126E-02
DAV: 9 -0.560148333830E+03 -0.13360E-03 -0.18335E-05 20388 0.141E-02 0.687E-03
DAV: 10 -0.560148613303E+03 -0.27947E-03 -0.45411E-05 23478 0.156E-02 0.774E-03
DAV: 11 -0.560148758893E+03 -0.14559E-03 -0.13121E-05 19476 0.961E-03 0.414E-03
DAV: 12 -0.560148873146E+03 -0.11425E-03 -0.24818E-05 20472 0.105E-02 0.454E-03
DAV: 13 -0.560148906334E+03 -0.33188E-04 -0.30876E-06 18900 0.517E-03 0.227E-03
DAV: 14 -0.560148924972E+03 -0.18638E-04 -0.36130E-06 17814 0.409E-03 0.127E-03
DAV: 15 -0.560148934873E+03 -0.99012E-05 -0.89541E-07 18600 0.192E-03
224 F= -.56014893E+03 E0= -.56015280E+03 d E =-.204502E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560155857872E+03 -0.69329E-02 -0.20118E+01 21924 0.113E+01 0.126E+00
DAV: 2 -0.560168775021E+03 -0.12917E-01 -0.39937E-01 22842 0.152E+00 0.719E-01
DAV: 3 -0.560161543462E+03 0.72316E-02 -0.21647E-02 26004 0.417E-01 0.342E-01
DAV: 4 -0.560160737701E+03 0.80576E-03 -0.71217E-03 26340 0.237E-01 0.116E-01
DAV: 5 -0.560160846801E+03 -0.10910E-03 -0.86193E-04 24936 0.853E-02 0.543E-02
DAV: 6 -0.560160936987E+03 -0.90186E-04 -0.22784E-04 25692 0.425E-02 0.236E-02
DAV: 7 -0.560161020576E+03 -0.83590E-04 -0.28643E-05 20652 0.187E-02 0.867E-03
DAV: 8 -0.560161101555E+03 -0.80979E-04 -0.28134E-05 24576 0.141E-02 0.719E-03
DAV: 9 -0.560161143396E+03 -0.41841E-04 -0.47525E-06 18540 0.755E-03 0.377E-03
DAV: 10 -0.560161243500E+03 -0.10010E-03 -0.14261E-05 18492 0.911E-03 0.410E-03
DAV: 11 -0.560161303589E+03 -0.60089E-04 -0.47789E-06 18528 0.537E-03 0.259E-03
DAV: 12 -0.560161343311E+03 -0.39722E-04 -0.65649E-06 17952 0.576E-03 0.197E-03
DAV: 13 -0.560161357476E+03 -0.14164E-04 -0.15525E-06 18756 0.274E-03 0.122E-03
DAV: 14 -0.560161364255E+03 -0.67796E-05 -0.10076E-06 17616 0.203E-03
225 F= -.56016136E+03 E0= -.56016523E+03 d E =-.124294E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560153093755E+03 0.82637E-02 -0.67434E+01 21924 0.207E+01 0.240E+00
DAV: 2 -0.560197446367E+03 -0.44353E-01 -0.13930E+00 22656 0.284E+00 0.132E+00
DAV: 3 -0.560173877797E+03 0.23569E-01 -0.70527E-02 26004 0.760E-01 0.669E-01
DAV: 4 -0.560170722215E+03 0.31556E-02 -0.25668E-02 26340 0.451E-01 0.230E-01
DAV: 5 -0.560171047295E+03 -0.32508E-03 -0.32821E-03 25008 0.167E-01 0.105E-01
DAV: 6 -0.560171285005E+03 -0.23771E-03 -0.86117E-04 24768 0.820E-02 0.444E-02
DAV: 7 -0.560171495744E+03 -0.21074E-03 -0.10856E-04 25152 0.352E-02 0.158E-02
DAV: 8 -0.560171687607E+03 -0.19186E-03 -0.77082E-05 25440 0.240E-02 0.123E-02
DAV: 9 -0.560171797930E+03 -0.11032E-03 -0.16467E-05 20556 0.136E-02 0.633E-03
DAV: 10 -0.560172029667E+03 -0.23174E-03 -0.36179E-05 23580 0.148E-02 0.716E-03
DAV: 11 -0.560172171178E+03 -0.14151E-03 -0.12751E-05 19260 0.946E-03 0.394E-03
DAV: 12 -0.560172271561E+03 -0.10038E-03 -0.20649E-05 20292 0.976E-03 0.380E-03
DAV: 13 -0.560172301217E+03 -0.29657E-04 -0.26078E-06 18852 0.443E-03 0.212E-03
DAV: 14 -0.560172317692E+03 -0.16474E-04 -0.28371E-06 17664 0.369E-03 0.108E-03
DAV: 15 -0.560172326857E+03 -0.91655E-05 -0.86739E-07 18384 0.185E-03
226 F= -.56017233E+03 E0= -.56017619E+03 d E =-.233920E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560171636102E+03 0.68159E-03 -0.42394E+00 21924 0.518E+00 0.572E-01
DAV: 2 -0.560174260627E+03 -0.26245E-02 -0.82830E-02 23118 0.696E-01 0.331E-01
DAV: 3 -0.560172668938E+03 0.15917E-02 -0.47477E-03 25836 0.194E-01 0.151E-01
DAV: 4 -0.560172512459E+03 0.15648E-03 -0.14610E-03 26328 0.107E-01 0.515E-02
DAV: 5 -0.560172537623E+03 -0.25164E-04 -0.17213E-04 25068 0.381E-02 0.242E-02
DAV: 6 -0.560172562082E+03 -0.24460E-04 -0.44595E-05 23904 0.190E-02 0.106E-02
DAV: 7 -0.560172586526E+03 -0.24444E-04 -0.57703E-06 17268 0.862E-03 0.406E-03
DAV: 8 -0.560172611476E+03 -0.24950E-04 -0.67117E-06 17808 0.703E-03 0.325E-03
DAV: 9 -0.560172625137E+03 -0.13661E-04 -0.12803E-06 17256 0.365E-03 0.193E-03
DAV: 10 -0.560172656724E+03 -0.31588E-04 -0.38022E-06 17232 0.497E-03 0.204E-03
DAV: 11 -0.560172674044E+03 -0.17320E-04 -0.15570E-06 18612 0.281E-03 0.132E-03
DAV: 12 -0.560172686105E+03 -0.12060E-04 -0.15838E-06 17724 0.283E-03 0.840E-04
DAV: 13 -0.560172691261E+03 -0.51564E-05 -0.61634E-07 18396 0.149E-03
227 F= -.56017269E+03 E0= -.56017656E+03 d E =-.237564E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560182174229E+03 -0.94881E-02 -0.28373E+01 21924 0.134E+01 0.154E+00
DAV: 2 -0.560198183415E+03 -0.16009E-01 -0.56945E-01 22926 0.182E+00 0.858E-01
DAV: 3 -0.560187588417E+03 0.10595E-01 -0.32994E-02 26088 0.506E-01 0.404E-01
DAV: 4 -0.560186453945E+03 0.11345E-02 -0.98965E-03 26448 0.284E-01 0.144E-01
DAV: 5 -0.560186605604E+03 -0.15166E-03 -0.11907E-03 24888 0.100E-01 0.660E-02
DAV: 6 -0.560186739382E+03 -0.13378E-03 -0.35459E-04 24048 0.525E-02 0.284E-02
DAV: 7 -0.560186856762E+03 -0.11738E-03 -0.49873E-05 25476 0.231E-02 0.103E-02
DAV: 8 -0.560186961875E+03 -0.10511E-03 -0.36319E-05 24468 0.163E-02 0.803E-03
DAV: 9 -0.560187029901E+03 -0.68026E-04 -0.73594E-06 18264 0.924E-03 0.419E-03
DAV: 10 -0.560187159058E+03 -0.12916E-03 -0.19668E-05 19128 0.104E-02 0.482E-03
DAV: 11 -0.560187232399E+03 -0.73341E-04 -0.59967E-06 18600 0.637E-03 0.254E-03
DAV: 12 -0.560187282628E+03 -0.50229E-04 -0.93329E-06 18132 0.661E-03 0.249E-03
DAV: 13 -0.560187298591E+03 -0.15964E-04 -0.19145E-06 18840 0.324E-03 0.139E-03
DAV: 14 -0.560187306006E+03 -0.74146E-05 -0.12589E-06 17676 0.236E-03
228 F= -.56018731E+03 E0= -.56019117E+03 d E =-.146147E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560176865087E+03 0.10434E-01 -0.89611E+01 21924 0.238E+01 0.286E+00
DAV: 2 -0.560228950460E+03 -0.52085E-01 -0.18855E+00 22572 0.329E+00 0.153E+00
DAV: 3 -0.560196554850E+03 0.32396E-01 -0.10060E-01 25992 0.897E-01 0.778E-01
DAV: 4 -0.560192163966E+03 0.43909E-02 -0.34188E-02 26424 0.529E-01 0.278E-01
DAV: 5 -0.560192575282E+03 -0.41132E-03 -0.43908E-03 24288 0.193E-01 0.126E-01
DAV: 6 -0.560192899092E+03 -0.32381E-03 -0.13285E-03 23916 0.101E-01 0.531E-02
DAV: 7 -0.560193178326E+03 -0.27923E-03 -0.17589E-04 25212 0.436E-02 0.186E-02
DAV: 8 -0.560193423241E+03 -0.24492E-03 -0.11618E-04 25452 0.292E-02 0.147E-02
DAV: 9 -0.560193571555E+03 -0.14831E-03 -0.25880E-05 20856 0.169E-02 0.738E-03
DAV: 10 -0.560193855676E+03 -0.28412E-03 -0.47303E-05 23502 0.168E-02 0.830E-03
DAV: 11 -0.560194033743E+03 -0.17807E-03 -0.18271E-05 20640 0.110E-02 0.444E-03
DAV: 12 -0.560194154331E+03 -0.12059E-03 -0.23632E-05 20904 0.108E-02 0.406E-03
DAV: 13 -0.560194190985E+03 -0.36654E-04 -0.33987E-06 18840 0.505E-03 0.215E-03
DAV: 14 -0.560194209315E+03 -0.18330E-04 -0.32689E-06 17742 0.383E-03 0.113E-03
DAV: 15 -0.560194219182E+03 -0.98674E-05 -0.10134E-06 18336 0.186E-03
229 F= -.56019422E+03 E0= -.56019809E+03 d E =-.215279E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560201984704E+03 -0.77754E-02 -0.32367E+01 21924 0.143E+01 0.166E+00
DAV: 2 -0.560219224295E+03 -0.17240E-01 -0.64917E-01 22956 0.194E+00 0.918E-01
DAV: 3 -0.560206772658E+03 0.12452E-01 -0.37794E-02 26040 0.549E-01 0.429E-01
DAV: 4 -0.560205480456E+03 0.12922E-02 -0.11502E-02 26472 0.303E-01 0.154E-01
DAV: 5 -0.560205652190E+03 -0.17173E-03 -0.13380E-03 24132 0.106E-01 0.714E-02
DAV: 6 -0.560205810360E+03 -0.15817E-03 -0.39360E-04 24096 0.555E-02 0.306E-02
DAV: 7 -0.560205953051E+03 -0.14269E-03 -0.54923E-05 25296 0.238E-02 0.108E-02
DAV: 8 -0.560206079087E+03 -0.12604E-03 -0.39668E-05 24600 0.167E-02 0.837E-03
DAV: 9 -0.560206159664E+03 -0.80577E-04 -0.77354E-06 18372 0.942E-03 0.449E-03
DAV: 10 -0.560206314766E+03 -0.15510E-03 -0.23976E-05 19224 0.110E-02 0.524E-03
DAV: 11 -0.560206398472E+03 -0.83705E-04 -0.65236E-06 18648 0.622E-03 0.285E-03
DAV: 12 -0.560206460849E+03 -0.62378E-04 -0.12361E-05 18648 0.718E-03 0.289E-03
DAV: 13 -0.560206477981E+03 -0.17131E-04 -0.19317E-06 18876 0.347E-03 0.154E-03
DAV: 14 -0.560206486415E+03 -0.84339E-05 -0.15101E-06 17586 0.256E-03
230 F= -.56020649E+03 E0= -.56021035E+03 d E =-.122672E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560207718688E+03 -0.12407E-02 -0.40165E+01 21924 0.160E+01 0.187E+00
DAV: 2 -0.560228787861E+03 -0.21069E-01 -0.81165E-01 22788 0.217E+00 0.102E+00
DAV: 3 -0.560213289140E+03 0.15499E-01 -0.46856E-02 26004 0.613E-01 0.484E-01
DAV: 4 -0.560211624855E+03 0.16643E-02 -0.14569E-02 26472 0.342E-01 0.174E-01
DAV: 5 -0.560211832132E+03 -0.20728E-03 -0.17039E-03 24132 0.120E-01 0.808E-02
DAV: 6 -0.560212022065E+03 -0.18993E-03 -0.50370E-04 24108 0.628E-02 0.343E-02
DAV: 7 -0.560212192372E+03 -0.17031E-03 -0.69232E-05 25248 0.268E-02 0.121E-02
DAV: 8 -0.560212341880E+03 -0.14951E-03 -0.50035E-05 25392 0.187E-02 0.947E-03
DAV: 9 -0.560212435369E+03 -0.93489E-04 -0.96025E-06 18264 0.106E-02 0.507E-03
DAV: 10 -0.560212620529E+03 -0.18516E-03 -0.31247E-05 22170 0.125E-02 0.630E-03
DAV: 11 -0.560212715768E+03 -0.95239E-04 -0.73732E-06 18744 0.720E-03 0.313E-03
DAV: 12 -0.560212790780E+03 -0.75011E-04 -0.16284E-05 19044 0.813E-03 0.353E-03
DAV: 13 -0.560212811108E+03 -0.20328E-04 -0.21453E-06 18876 0.391E-03 0.181E-03
DAV: 14 -0.560212822172E+03 -0.11064E-04 -0.20406E-06 17580 0.304E-03 0.762E-04
DAV: 15 -0.560212827815E+03 -0.56428E-05 -0.62919E-07 18036 0.146E-03
231 F= -.56021283E+03 E0= -.56021670E+03 d E =-.186086E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560224024913E+03 -0.11203E-01 -0.62399E+00 21924 0.633E+00 0.698E-01
DAV: 2 -0.560228431884E+03 -0.44070E-02 -0.12564E-01 23220 0.859E-01 0.401E-01
DAV: 3 -0.560226090827E+03 0.23411E-02 -0.71415E-03 25992 0.241E-01 0.185E-01
DAV: 4 -0.560225816284E+03 0.27454E-03 -0.21297E-03 26280 0.130E-01 0.623E-02
DAV: 5 -0.560225839840E+03 -0.23556E-04 -0.25208E-04 25080 0.460E-02 0.292E-02
DAV: 6 -0.560225876064E+03 -0.36224E-04 -0.69062E-05 24078 0.234E-02 0.137E-02
DAV: 7 -0.560225912898E+03 -0.36835E-04 -0.87252E-06 17856 0.110E-02 0.515E-03
DAV: 8 -0.560225951668E+03 -0.38770E-04 -0.10549E-05 18636 0.853E-03 0.411E-03
DAV: 9 -0.560225972198E+03 -0.20530E-04 -0.18510E-06 17616 0.439E-03 0.235E-03
DAV: 10 -0.560226018820E+03 -0.46622E-04 -0.61367E-06 17196 0.620E-03 0.282E-03
DAV: 11 -0.560226043627E+03 -0.24807E-04 -0.23635E-06 18636 0.340E-03 0.190E-03
DAV: 12 -0.560226060781E+03 -0.17154E-04 -0.27238E-06 17520 0.389E-03 0.126E-03
DAV: 13 -0.560226067466E+03 -0.66852E-05 -0.83688E-07 18684 0.190E-03
232 F= -.56022607E+03 E0= -.56022994E+03 d E =-.132397E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560228406113E+03 -0.23453E-02 -0.54407E+00 21924 0.592E+00 0.651E-01
DAV: 2 -0.560232213946E+03 -0.38078E-02 -0.10940E-01 23172 0.801E-01 0.375E-01
DAV: 3 -0.560230162203E+03 0.20517E-02 -0.62421E-03 25980 0.226E-01 0.173E-01
DAV: 4 -0.560229924407E+03 0.23780E-03 -0.18556E-03 26280 0.121E-01 0.580E-02
DAV: 5 -0.560229946032E+03 -0.21624E-04 -0.21879E-04 24984 0.428E-02 0.272E-02
DAV: 6 -0.560229979072E+03 -0.33041E-04 -0.59723E-05 24204 0.218E-02 0.127E-02
DAV: 7 -0.560230012777E+03 -0.33705E-04 -0.76017E-06 17778 0.102E-02 0.479E-03
DAV: 8 -0.560230048233E+03 -0.35456E-04 -0.90375E-06 18102 0.794E-03 0.379E-03
DAV: 9 -0.560230067413E+03 -0.19180E-04 -0.16986E-06 17508 0.409E-03 0.219E-03
DAV: 10 -0.560230110962E+03 -0.43549E-04 -0.58050E-06 17226 0.603E-03 0.278E-03
DAV: 11 -0.560230132153E+03 -0.21191E-04 -0.21420E-06 18660 0.331E-03 0.177E-03
DAV: 12 -0.560230147811E+03 -0.15658E-04 -0.26695E-06 17448 0.376E-03 0.129E-03
DAV: 13 -0.560230153449E+03 -0.56383E-05 -0.79408E-07 18516 0.188E-03
233 F= -.56023015E+03 E0= -.56023402E+03 d E =-.173256E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560237781840E+03 -0.76340E-02 -0.68817E+00 21924 0.667E+00 0.732E-01
DAV: 2 -0.560243071220E+03 -0.52894E-02 -0.14098E-01 23244 0.913E-01 0.412E-01
DAV: 3 -0.560240617848E+03 0.24534E-02 -0.79391E-03 26124 0.256E-01 0.196E-01
DAV: 4 -0.560240328527E+03 0.28932E-03 -0.24382E-03 26328 0.143E-01 0.676E-02
DAV: 5 -0.560240354827E+03 -0.26300E-04 -0.29637E-04 25284 0.506E-02 0.306E-02
DAV: 6 -0.560240395304E+03 -0.40477E-04 -0.89082E-05 24108 0.258E-02 0.147E-02
DAV: 7 -0.560240432141E+03 -0.36837E-04 -0.11985E-05 19800 0.120E-02 0.547E-03
DAV: 8 -0.560240470987E+03 -0.38847E-04 -0.11197E-05 17892 0.924E-03 0.414E-03
DAV: 9 -0.560240494340E+03 -0.23353E-04 -0.25464E-06 17856 0.498E-03 0.238E-03
DAV: 10 -0.560240538240E+03 -0.43900E-04 -0.62443E-06 17322 0.672E-03 0.310E-03
DAV: 11 -0.560240560314E+03 -0.22074E-04 -0.23603E-06 18552 0.384E-03 0.185E-03
DAV: 12 -0.560240577417E+03 -0.17103E-04 -0.28968E-06 17580 0.389E-03 0.129E-03
DAV: 13 -0.560240584999E+03 -0.75820E-05 -0.10028E-06 18588 0.209E-03
234 F= -.56024058E+03 E0= -.56024445E+03 d E =-.104316E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560241451291E+03 -0.87387E-03 -0.37940E+00 21924 0.495E+00 0.542E-01
DAV: 2 -0.560244336881E+03 -0.28856E-02 -0.77352E-02 23088 0.677E-01 0.306E-01
DAV: 3 -0.560242973670E+03 0.13632E-02 -0.44098E-03 25896 0.190E-01 0.144E-01
DAV: 4 -0.560242816708E+03 0.15696E-03 -0.13341E-03 26364 0.106E-01 0.497E-02
DAV: 5 -0.560242831890E+03 -0.15182E-04 -0.16093E-04 25356 0.373E-02 0.225E-02
DAV: 6 -0.560242855517E+03 -0.23627E-04 -0.47459E-05 23376 0.190E-02 0.108E-02
DAV: 7 -0.560242877902E+03 -0.22385E-04 -0.64456E-06 18036 0.888E-03 0.416E-03
DAV: 8 -0.560242902495E+03 -0.24593E-04 -0.70596E-06 17352 0.720E-03 0.326E-03
DAV: 9 -0.560242916166E+03 -0.13671E-04 -0.13931E-06 17172 0.385E-03 0.186E-03
DAV: 10 -0.560242945723E+03 -0.29557E-04 -0.44852E-06 17256 0.568E-03 0.277E-03
DAV: 11 -0.560242958570E+03 -0.12846E-04 -0.13816E-06 18672 0.309E-03 0.165E-03
DAV: 12 -0.560242969443E+03 -0.10873E-04 -0.19685E-06 17508 0.329E-03 0.110E-03
DAV: 13 -0.560242974387E+03 -0.49443E-05 -0.64107E-07 18144 0.173E-03
235 F= -.56024297E+03 E0= -.56024684E+03 d E =-.128209E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560249509538E+03 -0.65401E-02 -0.52538E+00 21924 0.583E+00 0.609E-01
DAV: 2 -0.560254470375E+03 -0.49608E-02 -0.10786E-01 23106 0.791E-01 0.355E-01
DAV: 3 -0.560252794905E+03 0.16755E-02 -0.52199E-03 26052 0.212E-01 0.177E-01
DAV: 4 -0.560252526215E+03 0.26869E-03 -0.18722E-03 26256 0.128E-01 0.580E-02
DAV: 5 -0.560252544654E+03 -0.18439E-04 -0.26108E-04 25572 0.475E-02 0.278E-02
DAV: 6 -0.560252567809E+03 -0.23155E-04 -0.76975E-05 24168 0.242E-02 0.136E-02
DAV: 7 -0.560252593412E+03 -0.25602E-04 -0.94838E-06 18408 0.115E-02 0.522E-03
DAV: 8 -0.560252620811E+03 -0.27399E-04 -0.11229E-05 18480 0.926E-03 0.430E-03
DAV: 9 -0.560252634734E+03 -0.13923E-04 -0.20534E-06 17184 0.483E-03 0.247E-03
DAV: 10 -0.560252665327E+03 -0.30593E-04 -0.44425E-06 17202 0.601E-03 0.250E-03
DAV: 11 -0.560252689787E+03 -0.24459E-04 -0.22448E-06 18144 0.386E-03 0.169E-03
DAV: 12 -0.560252703673E+03 -0.13886E-04 -0.19474E-06 17928 0.336E-03 0.933E-04
DAV: 13 -0.560252710206E+03 -0.65334E-05 -0.70882E-07 18084 0.180E-03
236 F= -.56025271E+03 E0= -.56025658E+03 d E =-.973582E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560252927723E+03 -0.22405E-03 -0.39582E+00 21924 0.506E+00 0.528E-01
DAV: 2 -0.560256650081E+03 -0.37224E-02 -0.81158E-02 23184 0.687E-01 0.308E-01
DAV: 3 -0.560255379195E+03 0.12709E-02 -0.39533E-03 25956 0.184E-01 0.153E-01
DAV: 4 -0.560255178145E+03 0.20105E-03 -0.14119E-03 26268 0.111E-01 0.502E-02
DAV: 5 -0.560255192210E+03 -0.14065E-04 -0.19578E-04 25608 0.412E-02 0.241E-02
DAV: 6 -0.560255210408E+03 -0.18198E-04 -0.58007E-05 24120 0.209E-02 0.119E-02
DAV: 7 -0.560255230983E+03 -0.20575E-04 -0.71112E-06 17490 0.100E-02 0.454E-03
DAV: 8 -0.560255253216E+03 -0.22233E-04 -0.86028E-06 17424 0.813E-03 0.376E-03
DAV: 9 -0.560255264454E+03 -0.11238E-04 -0.16173E-06 17136 0.420E-03 0.219E-03
DAV: 10 -0.560255289861E+03 -0.25407E-04 -0.37288E-06 17196 0.552E-03 0.233E-03
DAV: 11 -0.560255308942E+03 -0.19081E-04 -0.18022E-06 18144 0.342E-03 0.151E-03
DAV: 12 -0.560255320249E+03 -0.11306E-04 -0.16360E-06 17964 0.303E-03 0.834E-04
DAV: 13 -0.560255325417E+03 -0.51688E-05 -0.61840E-07 17760 0.166E-03
237 F= -.56025533E+03 E0= -.56025919E+03 d E =-.123510E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560261776010E+03 -0.64558E-02 -0.58178E+00 21924 0.611E+00 0.641E-01
DAV: 2 -0.560267478667E+03 -0.57027E-02 -0.12041E-01 23220 0.826E-01 0.370E-01
DAV: 3 -0.560265656045E+03 0.18226E-02 -0.54836E-03 26064 0.213E-01 0.184E-01
DAV: 4 -0.560265363112E+03 0.29293E-03 -0.20461E-03 26232 0.133E-01 0.592E-02
DAV: 5 -0.560265385516E+03 -0.22404E-04 -0.28644E-04 24864 0.490E-02 0.287E-02
DAV: 6 -0.560265411387E+03 -0.25871E-04 -0.93343E-05 24192 0.256E-02 0.148E-02
DAV: 7 -0.560265439786E+03 -0.28399E-04 -0.15065E-05 19944 0.134E-02 0.500E-03
DAV: 8 -0.560265467464E+03 -0.27677E-04 -0.11086E-05 17916 0.941E-03 0.430E-03
DAV: 9 -0.560265485151E+03 -0.17687E-04 -0.25783E-06 17292 0.496E-03 0.240E-03
DAV: 10 -0.560265516251E+03 -0.31100E-04 -0.45126E-06 17286 0.561E-03 0.259E-03
DAV: 11 -0.560265539544E+03 -0.23294E-04 -0.20909E-06 18216 0.342E-03 0.154E-03
DAV: 12 -0.560265554729E+03 -0.15185E-04 -0.22422E-06 17688 0.329E-03 0.102E-03
DAV: 13 -0.560265560982E+03 -0.62527E-05 -0.76312E-07 18348 0.182E-03
238 F= -.56026556E+03 E0= -.56026943E+03 d E =-.102356E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560264508566E+03 0.10462E-02 -0.81814E+00 21924 0.725E+00 0.763E-01
DAV: 2 -0.560272534749E+03 -0.80262E-02 -0.17004E-01 23160 0.982E-01 0.439E-01
DAV: 3 -0.560269979756E+03 0.25550E-02 -0.76848E-03 26136 0.252E-01 0.219E-01
DAV: 4 -0.560269560178E+03 0.41958E-03 -0.29090E-03 26244 0.158E-01 0.708E-02
DAV: 5 -0.560269591354E+03 -0.31176E-04 -0.40977E-04 24852 0.585E-02 0.344E-02
DAV: 6 -0.560269626742E+03 -0.35387E-04 -0.13486E-04 24192 0.307E-02 0.177E-02
DAV: 7 -0.560269664670E+03 -0.37928E-04 -0.22320E-05 20706 0.161E-02 0.588E-03
DAV: 8 -0.560269700872E+03 -0.36202E-04 -0.15403E-05 20760 0.109E-02 0.530E-03
DAV: 9 -0.560269723457E+03 -0.22584E-04 -0.35732E-06 17604 0.593E-03 0.269E-03
DAV: 10 -0.560269764090E+03 -0.40634E-04 -0.56799E-06 17244 0.623E-03 0.285E-03
DAV: 11 -0.560269796172E+03 -0.32082E-04 -0.29598E-06 18156 0.382E-03 0.190E-03
DAV: 12 -0.560269816887E+03 -0.20715E-04 -0.30937E-06 17748 0.397E-03 0.110E-03
DAV: 13 -0.560269825053E+03 -0.81656E-05 -0.10660E-06 18624 0.205E-03
239 F= -.56026983E+03 E0= -.56027369E+03 d E =-.144996E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560276005072E+03 -0.61882E-02 -0.67949E+00 21924 0.659E+00 0.697E-01
DAV: 2 -0.560282244560E+03 -0.62395E-02 -0.14098E-01 23178 0.902E-01 0.406E-01
DAV: 3 -0.560280094036E+03 0.21505E-02 -0.66679E-03 25944 0.234E-01 0.201E-01
DAV: 4 -0.560279750266E+03 0.34377E-03 -0.24194E-03 26256 0.144E-01 0.650E-02
DAV: 5 -0.560279774566E+03 -0.24299E-04 -0.33749E-04 24828 0.543E-02 0.305E-02
DAV: 6 -0.560279807411E+03 -0.32845E-04 -0.11637E-04 24024 0.285E-02 0.166E-02
DAV: 7 -0.560279838144E+03 -0.30734E-04 -0.19323E-05 21144 0.151E-02 0.542E-03
DAV: 8 -0.560279869747E+03 -0.31602E-04 -0.11807E-05 17700 0.964E-03 0.435E-03
DAV: 9 -0.560279891786E+03 -0.22040E-04 -0.27435E-06 17844 0.496E-03 0.248E-03
DAV: 10 -0.560279930387E+03 -0.38600E-04 -0.52703E-06 17364 0.616E-03 0.277E-03
DAV: 11 -0.560279958010E+03 -0.27623E-04 -0.25607E-06 18252 0.358E-03 0.195E-03
DAV: 12 -0.560279976366E+03 -0.18356E-04 -0.29187E-06 17628 0.395E-03 0.115E-03
DAV: 13 -0.560279983674E+03 -0.73078E-05 -0.95277E-07 18492 0.194E-03
240 F= -.56027998E+03 E0= -.56028385E+03 d E =-.101586E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560280080786E+03 -0.10442E-03 -0.25926E+00 21924 0.407E+00 0.428E-01
DAV: 2 -0.560282435561E+03 -0.23548E-02 -0.53432E-02 23100 0.556E-01 0.251E-01
DAV: 3 -0.560281607297E+03 0.82826E-03 -0.25589E-03 25812 0.145E-01 0.123E-01
DAV: 4 -0.560281479999E+03 0.12730E-03 -0.91391E-04 26196 0.886E-02 0.395E-02
DAV: 5 -0.560281489479E+03 -0.94803E-05 -0.12524E-04 25032 0.331E-02 0.186E-02
DAV: 6 -0.560281503127E+03 -0.13648E-04 -0.42860E-05 23160 0.174E-02 0.101E-02
DAV: 7 -0.560281516876E+03 -0.13750E-04 -0.66317E-06 16476 0.927E-03 0.355E-03
DAV: 8 -0.560281532105E+03 -0.15228E-04 -0.67070E-06 17208 0.697E-03 0.326E-03
DAV: 9 -0.560281540457E+03 -0.83517E-05 -0.11448E-06 17196 0.348E-03
241 F= -.56028154E+03 E0= -.56028541E+03 d E =-.117154E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560287163433E+03 -0.56313E-02 -0.55749E+00 21924 0.594E+00 0.643E-01
DAV: 2 -0.560291977402E+03 -0.48140E-02 -0.11591E-01 22542 0.814E-01 0.373E-01
DAV: 3 -0.560290092014E+03 0.18854E-02 -0.54710E-03 25680 0.212E-01 0.188E-01
DAV: 4 -0.560289782813E+03 0.30920E-03 -0.21611E-03 26268 0.133E-01 0.604E-02
DAV: 5 -0.560289808067E+03 -0.25254E-04 -0.29223E-04 25128 0.513E-02 0.281E-02
DAV: 6 -0.560289842656E+03 -0.34589E-04 -0.83992E-05 24648 0.242E-02 0.143E-02
DAV: 7 -0.560289876710E+03 -0.34053E-04 -0.11491E-05 19632 0.122E-02 0.518E-03
DAV: 8 -0.560289910219E+03 -0.33509E-04 -0.89632E-06 18132 0.839E-03 0.396E-03
DAV: 9 -0.560289930412E+03 -0.20193E-04 -0.21852E-06 17496 0.451E-03 0.225E-03
DAV: 10 -0.560289971006E+03 -0.40594E-04 -0.52065E-06 17214 0.601E-03 0.280E-03
DAV: 11 -0.560289994065E+03 -0.23059E-04 -0.21913E-06 18504 0.347E-03 0.167E-03
DAV: 12 -0.560290011221E+03 -0.17156E-04 -0.25979E-06 17352 0.359E-03 0.119E-03
DAV: 13 -0.560290018160E+03 -0.69394E-05 -0.84302E-07 18492 0.184E-03
242 F= -.56029002E+03 E0= -.56029389E+03 d E =-.847770E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560290347929E+03 -0.33671E-03 -0.26046E+00 21924 0.406E+00 0.438E-01
DAV: 2 -0.560292589093E+03 -0.22412E-02 -0.53948E-02 23058 0.556E-01 0.255E-01
DAV: 3 -0.560291708244E+03 0.88085E-03 -0.25931E-03 25788 0.145E-01 0.127E-01
DAV: 4 -0.560291563422E+03 0.14482E-03 -0.10009E-03 26160 0.905E-02 0.409E-02
DAV: 5 -0.560291571636E+03 -0.82136E-05 -0.13391E-04 25656 0.347E-02 0.191E-02
DAV: 6 -0.560291584798E+03 -0.13162E-04 -0.38117E-05 23376 0.165E-02 0.968E-03
DAV: 7 -0.560291599010E+03 -0.14213E-04 -0.50637E-06 16476 0.832E-03 0.360E-03
DAV: 8 -0.560291614358E+03 -0.15348E-04 -0.51534E-06 17292 0.622E-03 0.296E-03
DAV: 9 -0.560291622334E+03 -0.79756E-05 -0.98495E-07 17268 0.323E-03
243 F= -.56029162E+03 E0= -.56029549E+03 d E =-.100819E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560298625900E+03 -0.70115E-02 -0.44875E+00 21924 0.533E+00 0.569E-01
DAV: 2 -0.560302167049E+03 -0.35411E-02 -0.88250E-02 22536 0.713E-01 0.332E-01
DAV: 3 -0.560300569880E+03 0.15972E-02 -0.45846E-03 25692 0.199E-01 0.158E-01
DAV: 4 -0.560300389870E+03 0.18001E-03 -0.16913E-03 26364 0.116E-01 0.518E-02
DAV: 5 -0.560300415627E+03 -0.25757E-04 -0.19953E-04 24264 0.421E-02 0.249E-02
DAV: 6 -0.560300444282E+03 -0.28656E-04 -0.53587E-05 25218 0.200E-02 0.118E-02
DAV: 7 -0.560300472159E+03 -0.27876E-04 -0.68289E-06 17760 0.932E-03 0.433E-03
DAV: 8 -0.560300500412E+03 -0.28253E-04 -0.72810E-06 17976 0.767E-03 0.338E-03
DAV: 9 -0.560300515979E+03 -0.15567E-04 -0.17247E-06 17100 0.428E-03 0.200E-03
DAV: 10 -0.560300549072E+03 -0.33093E-04 -0.43879E-06 17208 0.596E-03 0.261E-03
DAV: 11 -0.560300565184E+03 -0.16113E-04 -0.17143E-06 18552 0.330E-03 0.175E-03
DAV: 12 -0.560300577610E+03 -0.12426E-04 -0.20778E-06 17340 0.356E-03 0.114E-03
DAV: 13 -0.560300583485E+03 -0.58742E-05 -0.76450E-07 18060 0.192E-03
244 F= -.56030058E+03 E0= -.56030445E+03 d E =-.896115E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560301574881E+03 -0.99727E-03 -0.77428E+00 21924 0.700E+00 0.753E-01
DAV: 2 -0.560307696399E+03 -0.61215E-02 -0.15305E-01 22974 0.939E-01 0.436E-01
DAV: 3 -0.560304966249E+03 0.27302E-02 -0.79198E-03 25968 0.262E-01 0.210E-01
DAV: 4 -0.560304640164E+03 0.32608E-03 -0.29337E-03 26352 0.154E-01 0.689E-02
DAV: 5 -0.560304672403E+03 -0.32239E-04 -0.36271E-04 24504 0.562E-02 0.334E-02
DAV: 6 -0.560304705962E+03 -0.33559E-04 -0.94021E-05 25224 0.269E-02 0.157E-02
DAV: 7 -0.560304740044E+03 -0.34082E-04 -0.11607E-05 18456 0.120E-02 0.573E-03
DAV: 8 -0.560304775014E+03 -0.34970E-04 -0.10863E-05 18036 0.965E-03 0.404E-03
DAV: 9 -0.560304795317E+03 -0.20303E-04 -0.26549E-06 17712 0.532E-03 0.244E-03
DAV: 10 -0.560304835189E+03 -0.39872E-04 -0.53449E-06 17268 0.688E-03 0.282E-03
DAV: 11 -0.560304856820E+03 -0.21631E-04 -0.23920E-06 18480 0.397E-03 0.196E-03
DAV: 12 -0.560304872821E+03 -0.16001E-04 -0.25993E-06 17364 0.406E-03 0.125E-03
DAV: 13 -0.560304881375E+03 -0.85546E-05 -0.10931E-06 18468 0.225E-03
245 F= -.56030488E+03 E0= -.56030875E+03 d E =-.132590E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560310779389E+03 -0.59066E-02 -0.36131E+00 21924 0.479E+00 0.510E-01
DAV: 2 -0.560313526452E+03 -0.27471E-02 -0.69512E-02 23190 0.635E-01 0.302E-01
DAV: 3 -0.560312232731E+03 0.12937E-02 -0.39115E-03 25836 0.186E-01 0.139E-01
DAV: 4 -0.560312098408E+03 0.13432E-03 -0.12215E-03 26544 0.994E-02 0.468E-02
DAV: 5 -0.560312115642E+03 -0.17234E-04 -0.15547E-04 24840 0.349E-02 0.221E-02
DAV: 6 -0.560312133253E+03 -0.17611E-04 -0.35779E-05 22716 0.180E-02 0.986E-03
DAV: 7 -0.560312152237E+03 -0.18984E-04 -0.54582E-06 17520 0.829E-03 0.374E-03
DAV: 8 -0.560312170329E+03 -0.18092E-04 -0.50899E-06 17436 0.622E-03 0.269E-03
DAV: 9 -0.560312180907E+03 -0.10578E-04 -0.99761E-07 16980 0.322E-03 0.164E-03
DAV: 10 -0.560312203877E+03 -0.22969E-04 -0.23970E-06 17160 0.400E-03 0.142E-03
DAV: 11 -0.560312216681E+03 -0.12805E-04 -0.11640E-06 18300 0.229E-03 0.121E-03
DAV: 12 -0.560312225250E+03 -0.85688E-05 -0.10539E-06 17484 0.242E-03
246 F= -.56031223E+03 E0= -.56031609E+03 d E =-.734387E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560313234509E+03 -0.10178E-02 -0.50205E+00 21924 0.564E+00 0.604E-01
DAV: 2 -0.560317025237E+03 -0.37907E-02 -0.96755E-02 23004 0.749E-01 0.356E-01
DAV: 3 -0.560315232972E+03 0.17923E-02 -0.54298E-03 25860 0.219E-01 0.164E-01
DAV: 4 -0.560315043167E+03 0.18981E-03 -0.17137E-03 26496 0.118E-01 0.557E-02
DAV: 5 -0.560315066383E+03 -0.23216E-04 -0.21787E-04 24636 0.415E-02 0.263E-02
DAV: 6 -0.560315090342E+03 -0.23959E-04 -0.53267E-05 24828 0.216E-02 0.119E-02
DAV: 7 -0.560315115016E+03 -0.24674E-04 -0.72005E-06 17364 0.982E-03 0.452E-03
DAV: 8 -0.560315138872E+03 -0.23856E-04 -0.77345E-06 17892 0.759E-03 0.339E-03
DAV: 9 -0.560315151673E+03 -0.12802E-04 -0.13904E-06 17064 0.386E-03 0.206E-03
DAV: 10 -0.560315180593E+03 -0.28920E-04 -0.34404E-06 17076 0.497E-03 0.187E-03
DAV: 11 -0.560315197809E+03 -0.17215E-04 -0.16395E-06 18276 0.282E-03 0.155E-03
DAV: 12 -0.560315209596E+03 -0.11787E-04 -0.15554E-06 17532 0.299E-03 0.746E-04
DAV: 13 -0.560315214962E+03 -0.53658E-05 -0.72934E-07 18000 0.165E-03
247 F= -.56031521E+03 E0= -.56031908E+03 d E =-.103336E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560321522553E+03 -0.63130E-02 -0.46095E+00 21924 0.540E+00 0.597E-01
DAV: 2 -0.560324646669E+03 -0.31241E-02 -0.91892E-02 23730 0.732E-01 0.345E-01
DAV: 3 -0.560322861012E+03 0.17857E-02 -0.51331E-03 26148 0.205E-01 0.163E-01
DAV: 4 -0.560322675439E+03 0.18557E-03 -0.17550E-03 26892 0.117E-01 0.558E-02
DAV: 5 -0.560322699666E+03 -0.24227E-04 -0.20105E-04 24228 0.412E-02 0.258E-02
DAV: 6 -0.560322727218E+03 -0.27552E-04 -0.61273E-05 24900 0.212E-02 0.117E-02
DAV: 7 -0.560322751158E+03 -0.23940E-04 -0.80659E-06 18336 0.103E-02 0.425E-03
DAV: 8 -0.560322775059E+03 -0.23901E-04 -0.84147E-06 17748 0.766E-03 0.372E-03
DAV: 9 -0.560322785792E+03 -0.10732E-04 -0.14712E-06 17160 0.376E-03 0.219E-03
DAV: 10 -0.560322810973E+03 -0.25181E-04 -0.38157E-06 17082 0.498E-03 0.235E-03
DAV: 11 -0.560322825870E+03 -0.14897E-04 -0.12585E-06 18432 0.268E-03 0.134E-03
DAV: 12 -0.560322838086E+03 -0.12216E-04 -0.17245E-06 17304 0.280E-03 0.978E-04
DAV: 13 -0.560322842935E+03 -0.48491E-05 -0.57115E-07 18384 0.156E-03
248 F= -.56032284E+03 E0= -.56032671E+03 d E =-.762797E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560323372277E+03 -0.53419E-03 -0.53416E+00 21924 0.581E+00 0.644E-01
DAV: 2 -0.560327001631E+03 -0.36294E-02 -0.10675E-01 23862 0.788E-01 0.372E-01
DAV: 3 -0.560324921738E+03 0.20799E-02 -0.59197E-03 26148 0.220E-01 0.176E-01
DAV: 4 -0.560324706040E+03 0.21570E-03 -0.20517E-03 27072 0.126E-01 0.601E-02
DAV: 5 -0.560324734246E+03 -0.28206E-04 -0.23176E-04 24204 0.441E-02 0.277E-02
DAV: 6 -0.560324765893E+03 -0.31647E-04 -0.69556E-05 25032 0.225E-02 0.125E-02
DAV: 7 -0.560324793234E+03 -0.27341E-04 -0.90716E-06 18576 0.109E-02 0.453E-03
DAV: 8 -0.560324820407E+03 -0.27173E-04 -0.94467E-06 17844 0.812E-03 0.395E-03
DAV: 9 -0.560324832400E+03 -0.11993E-04 -0.16670E-06 17172 0.400E-03 0.233E-03
DAV: 10 -0.560324861170E+03 -0.28770E-04 -0.44325E-06 17052 0.535E-03 0.255E-03
DAV: 11 -0.560324877469E+03 -0.16298E-04 -0.14269E-06 18468 0.289E-03 0.144E-03
DAV: 12 -0.560324891283E+03 -0.13815E-04 -0.20266E-06 17328 0.305E-03 0.110E-03
DAV: 13 -0.560324896641E+03 -0.53575E-05 -0.65069E-07 18432 0.169E-03
249 F= -.56032490E+03 E0= -.56032877E+03 d E =-.968168E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560329862921E+03 -0.49716E-02 -0.25885E+00 21924 0.403E+00 0.444E-01
DAV: 2 -0.560331413079E+03 -0.15502E-02 -0.50251E-02 23784 0.544E-01 0.260E-01
DAV: 3 -0.560330398210E+03 0.10149E-02 -0.29249E-03 25716 0.153E-01 0.120E-01
DAV: 4 -0.560330303074E+03 0.95136E-04 -0.10030E-03 27084 0.870E-02 0.411E-02
DAV: 5 -0.560330317549E+03 -0.14475E-04 -0.10802E-04 24432 0.305E-02 0.198E-02
DAV: 6 -0.560330335078E+03 -0.17529E-04 -0.33313E-05 22836 0.156E-02 0.882E-03
DAV: 7 -0.560330350979E+03 -0.15901E-04 -0.45742E-06 17124 0.769E-03 0.324E-03
DAV: 8 -0.560330367005E+03 -0.16026E-04 -0.47574E-06 17400 0.581E-03 0.272E-03
DAV: 9 -0.560330374610E+03 -0.76047E-05 -0.86628E-07 17184 0.291E-03
250 F= -.56033037E+03 E0= -.56033425E+03 d E =-.547797E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560332299748E+03 -0.19327E-02 -0.15263E+01 21924 0.979E+00 0.110E+00
DAV: 2 -0.560341447048E+03 -0.91473E-02 -0.30100E-01 23250 0.133E+00 0.633E-01
DAV: 3 -0.560335579518E+03 0.58675E-02 -0.16831E-02 25824 0.370E-01 0.302E-01
DAV: 4 -0.560334966096E+03 0.61342E-03 -0.60996E-03 27108 0.215E-01 0.104E-01
DAV: 5 -0.560335053169E+03 -0.87073E-04 -0.68488E-04 23928 0.770E-02 0.500E-02
DAV: 6 -0.560335148725E+03 -0.95556E-04 -0.21686E-04 25092 0.392E-02 0.220E-02
DAV: 7 -0.560335223488E+03 -0.74763E-04 -0.29394E-05 22428 0.188E-02 0.769E-03
DAV: 8 -0.560335294009E+03 -0.70521E-04 -0.22532E-05 22248 0.125E-02 0.635E-03
DAV: 9 -0.560335332307E+03 -0.38298E-04 -0.43622E-06 18480 0.697E-03 0.315E-03
DAV: 10 -0.560335406955E+03 -0.74648E-04 -0.91306E-06 17034 0.717E-03 0.350E-03
DAV: 11 -0.560335463205E+03 -0.56249E-04 -0.50035E-06 18036 0.444E-03 0.199E-03
DAV: 12 -0.560335496256E+03 -0.33051E-04 -0.50190E-06 17748 0.483E-03 0.182E-03
DAV: 13 -0.560335507479E+03 -0.11223E-04 -0.13794E-06 18600 0.255E-03 0.963E-04
DAV: 14 -0.560335511040E+03 -0.35611E-05 -0.76843E-07 17004 0.175E-03
251 F= -.56033551E+03 E0= -.56033939E+03 d E =-.106144E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560345490230E+03 -0.99828E-02 -0.49405E+00 21924 0.556E+00 0.653E-01
DAV: 2 -0.560347448437E+03 -0.19582E-02 -0.98117E-02 24066 0.760E-01 0.367E-01
DAV: 3 -0.560345355154E+03 0.20933E-02 -0.63777E-03 26052 0.218E-01 0.164E-01
DAV: 4 -0.560345163115E+03 0.19204E-03 -0.18847E-03 26388 0.120E-01 0.586E-02
DAV: 5 -0.560345190486E+03 -0.27370E-04 -0.19926E-04 24540 0.423E-02 0.277E-02
DAV: 6 -0.560345226561E+03 -0.36075E-04 -0.64079E-05 24672 0.222E-02 0.124E-02
DAV: 7 -0.560345258030E+03 -0.31469E-04 -0.81933E-06 18012 0.105E-02 0.479E-03
DAV: 8 -0.560345289581E+03 -0.31551E-04 -0.97492E-06 17640 0.856E-03 0.384E-03
DAV: 9 -0.560345306351E+03 -0.16770E-04 -0.19279E-06 17304 0.444E-03 0.222E-03
DAV: 10 -0.560345344297E+03 -0.37946E-04 -0.52976E-06 17022 0.616E-03 0.269E-03
DAV: 11 -0.560345364104E+03 -0.19807E-04 -0.20773E-06 18432 0.345E-03 0.170E-03
DAV: 12 -0.560345377343E+03 -0.13238E-04 -0.24350E-06 17592 0.373E-03 0.123E-03
DAV: 13 -0.560345381715E+03 -0.43726E-05 -0.71271E-07 18048 0.192E-03
252 F= -.56034538E+03 E0= -.56034926E+03 d E =-.987068E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560350757504E+03 -0.53802E-02 -0.22253E+01 21924 0.118E+01 0.141E+00
DAV: 2 -0.560359633476E+03 -0.88760E-02 -0.45137E-01 23892 0.163E+00 0.778E-01
DAV: 3 -0.560350424751E+03 0.92087E-02 -0.27898E-02 26208 0.461E-01 0.363E-01
DAV: 4 -0.560349478148E+03 0.94660E-03 -0.88975E-03 26448 0.262E-01 0.131E-01
DAV: 5 -0.560349590344E+03 -0.11220E-03 -0.98148E-04 24396 0.940E-02 0.620E-02
DAV: 6 -0.560349725276E+03 -0.13493E-03 -0.31731E-04 24264 0.493E-02 0.271E-02
DAV: 7 -0.560349835780E+03 -0.11050E-03 -0.44712E-05 25632 0.227E-02 0.979E-03
DAV: 8 -0.560349932765E+03 -0.96985E-04 -0.31041E-05 24456 0.154E-02 0.750E-03
DAV: 9 -0.560349993433E+03 -0.60669E-04 -0.62946E-06 18408 0.860E-03 0.389E-03
DAV: 10 -0.560350111650E+03 -0.11822E-03 -0.17076E-05 18378 0.104E-02 0.458E-03
DAV: 11 -0.560350172327E+03 -0.60677E-04 -0.53830E-06 18600 0.632E-03 0.251E-03
DAV: 12 -0.560350218887E+03 -0.46560E-04 -0.85964E-06 17556 0.669E-03 0.243E-03
DAV: 13 -0.560350231876E+03 -0.12989E-04 -0.19065E-06 18864 0.330E-03 0.134E-03
DAV: 14 -0.560350236832E+03 -0.49560E-05 -0.11164E-06 16788 0.236E-03
253 F= -.56035024E+03 E0= -.56035411E+03 d E =-.147258E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560351102018E+03 -0.87014E-03 -0.17077E+00 21924 0.328E+00 0.376E-01
DAV: 2 -0.560351817138E+03 -0.71512E-03 -0.33273E-02 24696 0.445E-01 0.217E-01
DAV: 3 -0.560351092446E+03 0.72469E-03 -0.23107E-03 26280 0.131E-01 0.927E-02
DAV: 4 -0.560351033543E+03 0.58903E-04 -0.62534E-04 26376 0.694E-02 0.329E-02
DAV: 5 -0.560351035567E+03 -0.20240E-05 -0.63620E-05 24720 0.242E-02
254 F= -.56035104E+03 E0= -.56035491E+03 d E =-.155245E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560360707544E+03 -0.96740E-02 -0.46791E+00 21924 0.544E+00 0.657E-01
DAV: 2 -0.560361718105E+03 -0.10106E-02 -0.92353E-02 23544 0.746E-01 0.360E-01
DAV: 3 -0.560359722479E+03 0.19956E-02 -0.71365E-03 25812 0.228E-01 0.158E-01
DAV: 4 -0.560359530066E+03 0.19241E-03 -0.16633E-03 26184 0.120E-01 0.606E-02
DAV: 5 -0.560359535087E+03 -0.50215E-05 -0.20658E-04 25716 0.423E-02 0.274E-02
DAV: 6 -0.560359553821E+03 -0.18734E-04 -0.73155E-05 23784 0.239E-02 0.132E-02
DAV: 7 -0.560359571040E+03 -0.17220E-04 -0.93045E-06 18096 0.110E-02 0.534E-03
DAV: 8 -0.560359591061E+03 -0.20020E-04 -0.11309E-05 18072 0.912E-03 0.376E-03
DAV: 9 -0.560359602995E+03 -0.11934E-04 -0.18410E-06 17160 0.451E-03 0.213E-03
DAV: 10 -0.560359626391E+03 -0.23395E-04 -0.34771E-06 16968 0.525E-03 0.205E-03
DAV: 11 -0.560359641099E+03 -0.14709E-04 -0.13883E-06 18336 0.304E-03 0.148E-03
DAV: 12 -0.560359649873E+03 -0.87734E-05 -0.12898E-06 17736 0.287E-03
255 F= -.56035965E+03 E0= -.56036352E+03 d E =-.861431E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560362876038E+03 -0.32349E-02 -0.35465E+00 21924 0.474E+00 0.571E-01
DAV: 2 -0.560363602526E+03 -0.72649E-03 -0.69959E-02 22848 0.649E-01 0.314E-01
DAV: 3 -0.560362033070E+03 0.15695E-02 -0.53505E-03 25908 0.198E-01 0.137E-01
DAV: 4 -0.560361892470E+03 0.14060E-03 -0.12700E-03 25644 0.105E-01 0.525E-02
DAV: 5 -0.560361911218E+03 -0.18748E-04 -0.15669E-04 24948 0.372E-02 0.239E-02
DAV: 6 -0.560361942478E+03 -0.31260E-04 -0.55770E-05 24096 0.210E-02 0.115E-02
DAV: 7 -0.560361968527E+03 -0.26049E-04 -0.72683E-06 18144 0.970E-03 0.478E-03
DAV: 8 -0.560361996499E+03 -0.27972E-04 -0.96268E-06 18120 0.845E-03 0.357E-03
DAV: 9 -0.560362013409E+03 -0.16910E-04 -0.18377E-06 17868 0.450E-03 0.194E-03
DAV: 10 -0.560362046366E+03 -0.32957E-04 -0.43167E-06 17034 0.562E-03 0.228E-03
DAV: 11 -0.560362063027E+03 -0.16661E-04 -0.17876E-06 18504 0.321E-03 0.161E-03
DAV: 12 -0.560362071987E+03 -0.89600E-05 -0.15616E-06 17820 0.308E-03
256 F= -.56036207E+03 E0= -.56036595E+03 d E =-.110364E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560371335164E+03 -0.92721E-02 -0.51993E+00 21924 0.575E+00 0.681E-01
DAV: 2 -0.560372756384E+03 -0.14212E-02 -0.10222E-01 23646 0.786E-01 0.379E-01
DAV: 3 -0.560370483354E+03 0.22730E-02 -0.74172E-03 25944 0.235E-01 0.167E-01
DAV: 4 -0.560370293185E+03 0.19017E-03 -0.19312E-03 25608 0.125E-01 0.627E-02
DAV: 5 -0.560370322397E+03 -0.29212E-04 -0.21591E-04 24888 0.428E-02 0.297E-02
DAV: 6 -0.560370365555E+03 -0.43158E-04 -0.84019E-05 24210 0.255E-02 0.141E-02
DAV: 7 -0.560370398344E+03 -0.32789E-04 -0.10843E-05 19584 0.120E-02 0.557E-03
DAV: 8 -0.560370431358E+03 -0.33014E-04 -0.14041E-05 19704 0.985E-03 0.470E-03
DAV: 9 -0.560370447149E+03 -0.15791E-04 -0.20653E-06 17148 0.453E-03 0.268E-03
DAV: 10 -0.560370485014E+03 -0.37865E-04 -0.58548E-06 16890 0.603E-03 0.263E-03
DAV: 11 -0.560370512268E+03 -0.27255E-04 -0.27005E-06 17952 0.330E-03 0.158E-03
DAV: 12 -0.560370525290E+03 -0.13022E-04 -0.20633E-06 18108 0.297E-03 0.795E-04
DAV: 13 -0.560370529829E+03 -0.45385E-05 -0.62158E-07 17832 0.150E-03
257 F= -.56037053E+03 E0= -.56037441E+03 d E =-.845784E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560372884609E+03 -0.23593E-02 -0.34953E+00 21924 0.471E+00 0.557E-01
DAV: 2 -0.560373828567E+03 -0.94396E-03 -0.68532E-02 23952 0.644E-01 0.311E-01
DAV: 3 -0.560372285336E+03 0.15432E-02 -0.50161E-03 26004 0.193E-01 0.136E-01
DAV: 4 -0.560372160092E+03 0.12524E-03 -0.12940E-03 25584 0.102E-01 0.511E-02
DAV: 5 -0.560372179280E+03 -0.19188E-04 -0.14350E-04 24948 0.350E-02 0.241E-02
DAV: 6 -0.560372209029E+03 -0.29748E-04 -0.55355E-05 24144 0.207E-02 0.115E-02
DAV: 7 -0.560372232240E+03 -0.23212E-04 -0.68468E-06 18108 0.975E-03 0.459E-03
DAV: 8 -0.560372256622E+03 -0.24381E-04 -0.99764E-06 18348 0.827E-03 0.392E-03
DAV: 9 -0.560372268175E+03 -0.11554E-04 -0.14610E-06 17148 0.386E-03 0.227E-03
DAV: 10 -0.560372295527E+03 -0.27352E-04 -0.41962E-06 16896 0.521E-03 0.227E-03
DAV: 11 -0.560372314595E+03 -0.19068E-04 -0.17526E-06 17952 0.271E-03 0.149E-03
DAV: 12 -0.560372323965E+03 -0.93697E-05 -0.14568E-06 18120 0.262E-03
258 F= -.56037232E+03 E0= -.56037621E+03 d E =-.102520E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560379660026E+03 -0.73454E-02 -0.41959E+00 21924 0.518E+00 0.629E-01
DAV: 2 -0.560380936729E+03 -0.12767E-02 -0.86907E-02 23856 0.721E-01 0.342E-01
DAV: 3 -0.560379010037E+03 0.19267E-02 -0.59295E-03 26076 0.212E-01 0.155E-01
DAV: 4 -0.560378825683E+03 0.18435E-03 -0.17719E-03 26352 0.120E-01 0.566E-02
DAV: 5 -0.560378850057E+03 -0.24374E-04 -0.19751E-04 24684 0.421E-02 0.275E-02
DAV: 6 -0.560378887310E+03 -0.37253E-04 -0.73729E-05 24282 0.233E-02 0.127E-02
DAV: 7 -0.560378918285E+03 -0.30975E-04 -0.93463E-06 18864 0.109E-02 0.484E-03
DAV: 8 -0.560378948958E+03 -0.30673E-04 -0.11547E-05 18468 0.898E-03 0.430E-03
DAV: 9 -0.560378963483E+03 -0.14524E-04 -0.19387E-06 17232 0.436E-03 0.253E-03
DAV: 10 -0.560378995341E+03 -0.31858E-04 -0.52818E-06 17004 0.588E-03 0.277E-03
DAV: 11 -0.560379013849E+03 -0.18509E-04 -0.17407E-06 18324 0.323E-03 0.166E-03
DAV: 12 -0.560379024239E+03 -0.10389E-04 -0.15682E-06 17988 0.278E-03 0.766E-04
DAV: 13 -0.560379029175E+03 -0.49359E-05 -0.59627E-07 17952 0.164E-03
259 F= -.56037903E+03 E0= -.56038291E+03 d E =-.670521E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560381582166E+03 -0.25579E-02 -0.45874E+00 21924 0.541E+00 0.659E-01
DAV: 2 -0.560382970976E+03 -0.13888E-02 -0.95155E-02 23916 0.755E-01 0.358E-01
DAV: 3 -0.560380864019E+03 0.21070E-02 -0.64834E-03 26172 0.222E-01 0.162E-01
DAV: 4 -0.560380659338E+03 0.20468E-03 -0.19433E-03 26352 0.126E-01 0.592E-02
DAV: 5 -0.560380686859E+03 -0.27521E-04 -0.22297E-04 24744 0.443E-02 0.289E-02
DAV: 6 -0.560380726068E+03 -0.39209E-04 -0.79346E-05 24294 0.245E-02 0.132E-02
DAV: 7 -0.560380759669E+03 -0.33601E-04 -0.99323E-06 18744 0.112E-02 0.519E-03
DAV: 8 -0.560380792667E+03 -0.32998E-04 -0.12617E-05 19356 0.937E-03 0.445E-03
DAV: 9 -0.560380808049E+03 -0.15381E-04 -0.20176E-06 17328 0.453E-03 0.261E-03
DAV: 10 -0.560380842005E+03 -0.33956E-04 -0.53985E-06 17004 0.587E-03 0.270E-03
DAV: 11 -0.560380863096E+03 -0.21092E-04 -0.19138E-06 18168 0.321E-03 0.182E-03
DAV: 12 -0.560380873506E+03 -0.10410E-04 -0.14848E-06 18192 0.281E-03 0.720E-04
DAV: 13 -0.560380879054E+03 -0.55479E-05 -0.68723E-07 17904 0.170E-03
260 F= -.56038088E+03 E0= -.56038477E+03 d E =-.855509E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560389099367E+03 -0.82259E-02 -0.57966E+00 21924 0.608E+00 0.722E-01
DAV: 2 -0.560391483406E+03 -0.23840E-02 -0.11951E-01 23106 0.850E-01 0.399E-01
DAV: 3 -0.560389085039E+03 0.23984E-02 -0.78923E-03 26100 0.251E-01 0.186E-01
DAV: 4 -0.560388802302E+03 0.28274E-03 -0.24554E-03 26340 0.145E-01 0.669E-02
DAV: 5 -0.560388831219E+03 -0.28917E-04 -0.30720E-04 24936 0.516E-02 0.332E-02
DAV: 6 -0.560388871522E+03 -0.40302E-04 -0.10337E-04 24336 0.281E-02 0.153E-02
DAV: 7 -0.560388907543E+03 -0.36021E-04 -0.13619E-05 19452 0.132E-02 0.599E-03
DAV: 8 -0.560388941761E+03 -0.34219E-04 -0.16047E-05 22176 0.107E-02 0.526E-03
DAV: 9 -0.560388956980E+03 -0.15218E-04 -0.25267E-06 17112 0.530E-03 0.287E-03
DAV: 10 -0.560388994015E+03 -0.37035E-04 -0.56928E-06 16884 0.643E-03 0.271E-03
DAV: 11 -0.560389024656E+03 -0.30641E-04 -0.29206E-06 17766 0.401E-03 0.209E-03
DAV: 12 -0.560389038744E+03 -0.14088E-04 -0.19925E-06 18300 0.342E-03 0.755E-04
DAV: 13 -0.560389045879E+03 -0.71346E-05 -0.98050E-07 17880 0.201E-03
261 F= -.56038905E+03 E0= -.56039294E+03 d E =-.816682E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560391542904E+03 -0.25042E-02 -0.49563E+00 21924 0.562E+00 0.668E-01
DAV: 2 -0.560393537603E+03 -0.19947E-02 -0.10201E-01 23160 0.786E-01 0.369E-01
DAV: 3 -0.560391478716E+03 0.20589E-02 -0.67609E-03 26064 0.233E-01 0.172E-01
DAV: 4 -0.560391237533E+03 0.24118E-03 -0.21125E-03 26340 0.134E-01 0.618E-02
DAV: 5 -0.560391261400E+03 -0.23867E-04 -0.25928E-04 24660 0.476E-02 0.307E-02
DAV: 6 -0.560391297047E+03 -0.35647E-04 -0.91398E-05 24336 0.262E-02 0.143E-02
DAV: 7 -0.560391328605E+03 -0.31557E-04 -0.12081E-05 19128 0.126E-02 0.558E-03
DAV: 8 -0.560391359138E+03 -0.30534E-04 -0.14795E-05 21948 0.102E-02 0.510E-03
DAV: 9 -0.560391372377E+03 -0.13239E-04 -0.22743E-06 17160 0.505E-03 0.272E-03
DAV: 10 -0.560391405091E+03 -0.32713E-04 -0.49661E-06 16860 0.600E-03 0.251E-03
DAV: 11 -0.560391433071E+03 -0.27980E-04 -0.25690E-06 17718 0.373E-03 0.198E-03
DAV: 12 -0.560391445347E+03 -0.12276E-04 -0.17019E-06 18360 0.318E-03 0.681E-04
DAV: 13 -0.560391451353E+03 -0.60058E-05 -0.83562E-07 17724 0.188E-03
262 F= -.56039145E+03 E0= -.56039534E+03 d E =-.105723E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560399310908E+03 -0.78656E-02 -0.44546E+00 21924 0.534E+00 0.624E-01
DAV: 2 -0.560401411449E+03 -0.21005E-02 -0.91933E-02 23238 0.745E-01 0.345E-01
DAV: 3 -0.560399574698E+03 0.18368E-02 -0.58955E-03 26076 0.215E-01 0.164E-01
DAV: 4 -0.560399359346E+03 0.21535E-03 -0.18037E-03 26340 0.122E-01 0.608E-02
DAV: 5 -0.560399382674E+03 -0.23328E-04 -0.21963E-04 24948 0.439E-02 0.282E-02
DAV: 6 -0.560399413077E+03 -0.30403E-04 -0.69229E-05 24408 0.230E-02 0.130E-02
DAV: 7 -0.560399439975E+03 -0.26898E-04 -0.89569E-06 18684 0.113E-02 0.490E-03
DAV: 8 -0.560399466796E+03 -0.26821E-04 -0.99449E-06 17616 0.874E-03 0.393E-03
DAV: 9 -0.560399480849E+03 -0.14053E-04 -0.18843E-06 17052 0.437E-03 0.230E-03
DAV: 10 -0.560399513686E+03 -0.32836E-04 -0.45615E-06 16878 0.588E-03 0.238E-03
DAV: 11 -0.560399532130E+03 -0.18445E-04 -0.18539E-06 18360 0.322E-03 0.173E-03
DAV: 12 -0.560399544374E+03 -0.12243E-04 -0.19338E-06 17472 0.343E-03 0.885E-04
DAV: 13 -0.560399548949E+03 -0.45756E-05 -0.69461E-07 18012 0.174E-03
263 F= -.56039955E+03 E0= -.56040344E+03 d E =-.809760E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560401552720E+03 -0.20083E-02 -0.51439E+00 21924 0.574E+00 0.671E-01
DAV: 2 -0.560403968686E+03 -0.24160E-02 -0.10633E-01 23208 0.801E-01 0.371E-01
DAV: 3 -0.560401846257E+03 0.21224E-02 -0.67913E-03 26112 0.231E-01 0.176E-01
DAV: 4 -0.560401596843E+03 0.24941E-03 -0.21010E-03 26328 0.131E-01 0.654E-02
DAV: 5 -0.560401623095E+03 -0.26253E-04 -0.25493E-04 24888 0.475E-02 0.305E-02
DAV: 6 -0.560401657566E+03 -0.34471E-04 -0.80349E-05 24384 0.247E-02 0.140E-02
DAV: 7 -0.560401688008E+03 -0.30442E-04 -0.10386E-05 18684 0.121E-02 0.523E-03
DAV: 8 -0.560401717968E+03 -0.29960E-04 -0.11672E-05 18516 0.935E-03 0.435E-03
DAV: 9 -0.560401733082E+03 -0.15113E-04 -0.20983E-06 17076 0.475E-03 0.242E-03
DAV: 10 -0.560401768597E+03 -0.35515E-04 -0.48306E-06 16908 0.598E-03 0.243E-03
DAV: 11 -0.560401790902E+03 -0.22305E-04 -0.21449E-06 18192 0.341E-03 0.183E-03
DAV: 12 -0.560401804536E+03 -0.13634E-04 -0.20168E-06 17736 0.352E-03 0.827E-04
DAV: 13 -0.560401809765E+03 -0.52287E-05 -0.75677E-07 18072 0.179E-03
264 F= -.56040181E+03 E0= -.56040571E+03 d E =-.103584E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560407888243E+03 -0.60837E-02 -0.29389E+00 21924 0.432E+00 0.516E-01
DAV: 2 -0.560409094462E+03 -0.12062E-02 -0.60973E-02 23988 0.602E-01 0.283E-01
DAV: 3 -0.560407786047E+03 0.13084E-02 -0.38767E-03 26016 0.173E-01 0.130E-01
DAV: 4 -0.560407659607E+03 0.12644E-03 -0.12603E-03 26352 0.986E-02 0.475E-02
DAV: 5 -0.560407677950E+03 -0.18343E-04 -0.13354E-04 24924 0.345E-02 0.226E-02
DAV: 6 -0.560407703799E+03 -0.25849E-04 -0.46751E-05 24108 0.180E-02 0.102E-02
DAV: 7 -0.560407725853E+03 -0.22055E-04 -0.59967E-06 17952 0.912E-03 0.375E-03
DAV: 8 -0.560407747093E+03 -0.21240E-04 -0.63059E-06 17496 0.676E-03 0.309E-03
DAV: 9 -0.560407759000E+03 -0.11907E-04 -0.12326E-06 17076 0.325E-03 0.185E-03
DAV: 10 -0.560407782960E+03 -0.23959E-04 -0.31633E-06 16986 0.439E-03 0.198E-03
DAV: 11 -0.560407794348E+03 -0.11389E-04 -0.10258E-06 18672 0.241E-03 0.111E-03
DAV: 12 -0.560407801658E+03 -0.73093E-05 -0.11530E-06 17724 0.236E-03
265 F= -.56040780E+03 E0= -.56041170E+03 d E =-.599189E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560412271964E+03 -0.44776E-02 -0.91354E+00 21924 0.762E+00 0.919E-01
DAV: 2 -0.560416029186E+03 -0.37572E-02 -0.19155E-01 23742 0.107E+00 0.498E-01
DAV: 3 -0.560412010043E+03 0.40191E-02 -0.11902E-02 26160 0.305E-01 0.233E-01
DAV: 4 -0.560411595866E+03 0.41418E-03 -0.40119E-03 26376 0.176E-01 0.854E-02
DAV: 5 -0.560411650624E+03 -0.54758E-04 -0.43750E-04 24852 0.622E-02 0.409E-02
DAV: 6 -0.560411720378E+03 -0.69754E-04 -0.15052E-04 24288 0.328E-02 0.180E-02
DAV: 7 -0.560411775988E+03 -0.55611E-04 -0.18720E-05 20100 0.156E-02 0.683E-03
DAV: 8 -0.560411829061E+03 -0.53072E-04 -0.19860E-05 22680 0.118E-02 0.589E-03
DAV: 9 -0.560411854186E+03 -0.25125E-04 -0.33233E-06 17904 0.600E-03 0.302E-03
DAV: 10 -0.560411913232E+03 -0.59047E-04 -0.81537E-06 16854 0.679E-03 0.309E-03
DAV: 11 -0.560411946601E+03 -0.33368E-04 -0.29998E-06 18432 0.357E-03 0.212E-03
DAV: 12 -0.560411969818E+03 -0.23218E-04 -0.34446E-06 17400 0.413E-03 0.106E-03
DAV: 13 -0.560411976542E+03 -0.67241E-05 -0.10915E-06 18828 0.204E-03
266 F= -.56041198E+03 E0= -.56041588E+03 d E =-.101668E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560421230869E+03 -0.92611E-02 -0.44554E+00 21924 0.533E+00 0.623E-01
DAV: 2 -0.560423264315E+03 -0.20334E-02 -0.90728E-02 23304 0.740E-01 0.346E-01
DAV: 3 -0.560421425256E+03 0.18391E-02 -0.57666E-03 25824 0.215E-01 0.159E-01
DAV: 4 -0.560421238685E+03 0.18657E-03 -0.18642E-03 26352 0.121E-01 0.563E-02
DAV: 5 -0.560421261558E+03 -0.22873E-04 -0.20548E-04 24180 0.431E-02 0.278E-02
DAV: 6 -0.560421295187E+03 -0.33629E-04 -0.74659E-05 24402 0.236E-02 0.130E-02
DAV: 7 -0.560421323427E+03 -0.28240E-04 -0.87437E-06 18084 0.108E-02 0.524E-03
DAV: 8 -0.560421352127E+03 -0.28700E-04 -0.11520E-05 17700 0.912E-03 0.413E-03
DAV: 9 -0.560421365182E+03 -0.13054E-04 -0.18825E-06 17172 0.438E-03 0.254E-03
DAV: 10 -0.560421396528E+03 -0.31346E-04 -0.51097E-06 16794 0.604E-03 0.262E-03
DAV: 11 -0.560421416072E+03 -0.19544E-04 -0.19600E-06 18324 0.314E-03 0.174E-03
DAV: 12 -0.560421426890E+03 -0.10818E-04 -0.17589E-06 17976 0.300E-03 0.799E-04
DAV: 13 -0.560421431701E+03 -0.48112E-05 -0.68260E-07 18000 0.174E-03
267 F= -.56042143E+03 E0= -.56042534E+03 d E =-.945516E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560424537760E+03 -0.31109E-02 -0.48935E+00 21924 0.559E+00 0.653E-01
DAV: 2 -0.560426781391E+03 -0.22436E-02 -0.99993E-02 23478 0.777E-01 0.363E-01
DAV: 3 -0.560424754745E+03 0.20266E-02 -0.63533E-03 25932 0.225E-01 0.167E-01
DAV: 4 -0.560424549678E+03 0.20507E-03 -0.20631E-03 26328 0.127E-01 0.593E-02
DAV: 5 -0.560424573348E+03 -0.23671E-04 -0.22073E-04 24168 0.449E-02 0.291E-02
DAV: 6 -0.560424610585E+03 -0.37237E-04 -0.83759E-05 24408 0.247E-02 0.138E-02
DAV: 7 -0.560424641085E+03 -0.30500E-04 -0.10671E-05 19572 0.117E-02 0.516E-03
DAV: 8 -0.560424670690E+03 -0.29604E-04 -0.10948E-05 17808 0.892E-03 0.405E-03
DAV: 9 -0.560424686377E+03 -0.15687E-04 -0.20593E-06 17316 0.444E-03 0.239E-03
DAV: 10 -0.560424719944E+03 -0.33567E-04 -0.50327E-06 16830 0.585E-03 0.264E-03
DAV: 11 -0.560424740065E+03 -0.20121E-04 -0.19895E-06 18336 0.316E-03 0.153E-03
DAV: 12 -0.560424751842E+03 -0.11777E-04 -0.19881E-06 17856 0.308E-03 0.104E-03
DAV: 13 -0.560424756472E+03 -0.46301E-05 -0.69034E-07 18036 0.188E-03
268 F= -.56042476E+03 E0= -.56042867E+03 d E =-.127799E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560431385965E+03 -0.66341E-02 -0.36496E+00 21924 0.483E+00 0.555E-01
DAV: 2 -0.560433178307E+03 -0.17923E-02 -0.72631E-02 23238 0.657E-01 0.308E-01
DAV: 3 -0.560431701414E+03 0.14769E-02 -0.46580E-03 26052 0.191E-01 0.141E-01
DAV: 4 -0.560431547312E+03 0.15410E-03 -0.13380E-03 26364 0.106E-01 0.509E-02
DAV: 5 -0.560431571244E+03 -0.23932E-04 -0.17393E-04 24048 0.390E-02 0.241E-02
DAV: 6 -0.560431596671E+03 -0.25427E-04 -0.49618E-05 24318 0.203E-02 0.111E-02
DAV: 7 -0.560431622124E+03 -0.25453E-04 -0.68664E-06 17826 0.913E-03 0.419E-03
DAV: 8 -0.560431644444E+03 -0.22321E-04 -0.63446E-06 17532 0.706E-03 0.284E-03
DAV: 9 -0.560431659053E+03 -0.14608E-04 -0.14604E-06 17736 0.372E-03 0.173E-03
DAV: 10 -0.560431682710E+03 -0.23657E-04 -0.26664E-06 17142 0.444E-03 0.169E-03
DAV: 11 -0.560431695590E+03 -0.12880E-04 -0.13694E-06 18588 0.288E-03 0.129E-03
DAV: 12 -0.560431700837E+03 -0.52466E-05 -0.87871E-07 17340 0.239E-03
269 F= -.56043170E+03 E0= -.56043562E+03 d E =-.694436E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560433690373E+03 -0.19948E-02 -0.34648E+00 21924 0.470E+00 0.541E-01
DAV: 2 -0.560435376451E+03 -0.16861E-02 -0.68990E-02 23184 0.640E-01 0.300E-01
DAV: 3 -0.560433966320E+03 0.14101E-02 -0.44205E-03 25944 0.186E-01 0.137E-01
DAV: 4 -0.560433820876E+03 0.14544E-03 -0.12758E-03 26364 0.103E-01 0.495E-02
DAV: 5 -0.560433844615E+03 -0.23739E-04 -0.16248E-04 24072 0.378E-02 0.234E-02
DAV: 6 -0.560433870231E+03 -0.25616E-04 -0.47304E-05 24516 0.197E-02 0.108E-02
DAV: 7 -0.560433895265E+03 -0.25034E-04 -0.63984E-06 17844 0.889E-03 0.404E-03
DAV: 8 -0.560433917664E+03 -0.22399E-04 -0.63437E-06 17556 0.697E-03 0.292E-03
DAV: 9 -0.560433931181E+03 -0.13517E-04 -0.13840E-06 17412 0.366E-03 0.176E-03
DAV: 10 -0.560433954963E+03 -0.23783E-04 -0.29668E-06 17118 0.470E-03 0.189E-03
DAV: 11 -0.560433966674E+03 -0.11711E-04 -0.12911E-06 18672 0.287E-03 0.134E-03
DAV: 12 -0.560433971879E+03 -0.52050E-05 -0.91304E-07 17184 0.241E-03
270 F= -.56043397E+03 E0= -.56043789E+03 d E =-.921541E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560439755802E+03 -0.57891E-02 -0.39928E+00 21924 0.505E+00 0.554E-01
DAV: 2 -0.560442511063E+03 -0.27553E-02 -0.79098E-02 22908 0.682E-01 0.317E-01
DAV: 3 -0.560441051462E+03 0.14596E-02 -0.47123E-03 25944 0.190E-01 0.146E-01
DAV: 4 -0.560440895558E+03 0.15590E-03 -0.12828E-03 26328 0.106E-01 0.521E-02
DAV: 5 -0.560440917960E+03 -0.22402E-04 -0.17080E-04 24888 0.382E-02 0.239E-02
DAV: 6 -0.560440942707E+03 -0.24747E-04 -0.51550E-05 24132 0.203E-02 0.113E-02
DAV: 7 -0.560440966994E+03 -0.24287E-04 -0.70378E-06 17628 0.101E-02 0.426E-03
DAV: 8 -0.560440990332E+03 -0.23338E-04 -0.74616E-06 17250 0.754E-03 0.322E-03
DAV: 9 -0.560441005380E+03 -0.15048E-04 -0.16005E-06 17748 0.389E-03 0.181E-03
DAV: 10 -0.560441030371E+03 -0.24991E-04 -0.31763E-06 17106 0.467E-03 0.198E-03
DAV: 11 -0.560441042779E+03 -0.12408E-04 -0.12647E-06 18636 0.281E-03 0.127E-03
DAV: 12 -0.560441049601E+03 -0.68219E-05 -0.12259E-06 17484 0.276E-03
271 F= -.56044105E+03 E0= -.56044497E+03 d E =-.707772E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560442113442E+03 -0.10707E-02 -0.41858E+00 21924 0.516E+00 0.568E-01
DAV: 2 -0.560444992016E+03 -0.28786E-02 -0.82974E-02 22866 0.699E-01 0.325E-01
DAV: 3 -0.560443460468E+03 0.15315E-02 -0.49319E-03 25932 0.194E-01 0.149E-01
DAV: 4 -0.560443295913E+03 0.16455E-03 -0.13522E-03 26352 0.109E-01 0.534E-02
DAV: 5 -0.560443318929E+03 -0.23016E-04 -0.17866E-04 24876 0.392E-02 0.246E-02
DAV: 6 -0.560443344854E+03 -0.25925E-04 -0.55151E-05 24168 0.209E-02 0.116E-02
DAV: 7 -0.560443370019E+03 -0.25165E-04 -0.74829E-06 17640 0.104E-02 0.441E-03
DAV: 8 -0.560443394441E+03 -0.24421E-04 -0.81521E-06 17358 0.787E-03 0.338E-03
DAV: 9 -0.560443409836E+03 -0.15395E-04 -0.17102E-06 17724 0.405E-03 0.189E-03
DAV: 10 -0.560443435612E+03 -0.25776E-04 -0.33894E-06 17118 0.484E-03 0.207E-03
DAV: 11 -0.560443448645E+03 -0.13033E-04 -0.13380E-06 18588 0.290E-03 0.133E-03
DAV: 12 -0.560443455786E+03 -0.71406E-05 -0.13012E-06 17592 0.286E-03
272 F= -.56044346E+03 E0= -.56044739E+03 d E =-.948391E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560448840347E+03 -0.53917E-02 -0.54363E+00 21924 0.588E+00 0.649E-01
DAV: 2 -0.560452729082E+03 -0.38887E-02 -0.10955E-01 23058 0.800E-01 0.368E-01
DAV: 3 -0.560450777218E+03 0.19519E-02 -0.58188E-03 26004 0.216E-01 0.175E-01
DAV: 4 -0.560450555940E+03 0.22128E-03 -0.20111E-03 26292 0.127E-01 0.595E-02
DAV: 5 -0.560450581905E+03 -0.25965E-04 -0.23710E-04 24132 0.464E-02 0.282E-02
DAV: 6 -0.560450614481E+03 -0.32576E-04 -0.80244E-05 24336 0.240E-02 0.136E-02
DAV: 7 -0.560450641305E+03 -0.26825E-04 -0.99952E-06 18804 0.117E-02 0.527E-03
DAV: 8 -0.560450670516E+03 -0.29210E-04 -0.11830E-05 17304 0.936E-03 0.436E-03
DAV: 9 -0.560450684949E+03 -0.14433E-04 -0.21398E-06 17076 0.466E-03 0.252E-03
DAV: 10 -0.560450717552E+03 -0.32604E-04 -0.53364E-06 16926 0.626E-03 0.278E-03
DAV: 11 -0.560450735606E+03 -0.18054E-04 -0.18212E-06 18492 0.323E-03 0.190E-03
DAV: 12 -0.560450749544E+03 -0.13938E-04 -0.23736E-06 17304 0.370E-03 0.103E-03
DAV: 13 -0.560450754319E+03 -0.47747E-05 -0.75218E-07 18072 0.186E-03
273 F= -.56045075E+03 E0= -.56045469E+03 d E =-.729853E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560451214350E+03 -0.46481E-03 -0.19552E+00 21924 0.352E+00 0.387E-01
DAV: 2 -0.560452602743E+03 -0.13884E-02 -0.39167E-02 23214 0.479E-01 0.221E-01
DAV: 3 -0.560451894646E+03 0.70810E-03 -0.21139E-03 25908 0.130E-01 0.104E-01
DAV: 4 -0.560451816512E+03 0.78134E-04 -0.71377E-04 26028 0.754E-02 0.352E-02
DAV: 5 -0.560451826857E+03 -0.10345E-04 -0.82940E-05 24192 0.275E-02 0.167E-02
DAV: 6 -0.560451840515E+03 -0.13659E-04 -0.27288E-05 22044 0.142E-02 0.794E-03
DAV: 7 -0.560451852744E+03 -0.12229E-04 -0.37241E-06 16296 0.693E-03 0.319E-03
DAV: 8 -0.560451865645E+03 -0.12901E-04 -0.44724E-06 16986 0.572E-03 0.262E-03
DAV: 9 -0.560451871396E+03 -0.57518E-05 -0.77125E-07 17208 0.283E-03
274 F= -.56045187E+03 E0= -.56045581E+03 d E =-.841561E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560457762198E+03 -0.58966E-02 -0.46351E+00 21924 0.542E+00 0.597E-01
DAV: 2 -0.560460934377E+03 -0.31722E-02 -0.93565E-02 22524 0.740E-01 0.340E-01
DAV: 3 -0.560459203593E+03 0.17308E-02 -0.48832E-03 25920 0.200E-01 0.164E-01
DAV: 4 -0.560459003663E+03 0.19993E-03 -0.19480E-03 26208 0.123E-01 0.556E-02
DAV: 5 -0.560459028851E+03 -0.25188E-04 -0.22479E-04 24720 0.458E-02 0.273E-02
DAV: 6 -0.560459064364E+03 -0.35513E-04 -0.80464E-05 24294 0.233E-02 0.134E-02
DAV: 7 -0.560459093981E+03 -0.29616E-04 -0.11138E-05 18708 0.117E-02 0.476E-03
DAV: 8 -0.560459121549E+03 -0.27569E-04 -0.10242E-05 17868 0.867E-03 0.397E-03
DAV: 9 -0.560459136240E+03 -0.14691E-04 -0.20063E-06 16944 0.430E-03 0.234E-03
DAV: 10 -0.560459167810E+03 -0.31570E-04 -0.48715E-06 16758 0.571E-03 0.267E-03
DAV: 11 -0.560459184131E+03 -0.16322E-04 -0.15904E-06 18612 0.299E-03 0.159E-03
DAV: 12 -0.560459195858E+03 -0.11727E-04 -0.20284E-06 17448 0.321E-03 0.112E-03
DAV: 13 -0.560459200228E+03 -0.43700E-05 -0.67968E-07 18120 0.197E-03
275 F= -.56045920E+03 E0= -.56046314E+03 d E =-.732883E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560460245276E+03 -0.10494E-02 -0.48999E+00 21924 0.558E+00 0.615E-01
DAV: 2 -0.560463608408E+03 -0.33631E-02 -0.99025E-02 23166 0.761E-01 0.350E-01
DAV: 3 -0.560461786648E+03 0.18218E-02 -0.51939E-03 26016 0.206E-01 0.168E-01
DAV: 4 -0.560461567565E+03 0.21908E-03 -0.20493E-03 26196 0.126E-01 0.571E-02
DAV: 5 -0.560461588548E+03 -0.20982E-04 -0.24031E-04 24972 0.471E-02 0.281E-02
DAV: 6 -0.560461618769E+03 -0.30221E-04 -0.84187E-05 24192 0.242E-02 0.135E-02
DAV: 7 -0.560461644310E+03 -0.25541E-04 -0.10766E-05 18606 0.117E-02 0.511E-03
DAV: 8 -0.560461669644E+03 -0.25335E-04 -0.11610E-05 18348 0.913E-03 0.422E-03
DAV: 9 -0.560461680999E+03 -0.11355E-04 -0.19243E-06 17160 0.423E-03 0.265E-03
DAV: 10 -0.560461709366E+03 -0.28367E-04 -0.51292E-06 16740 0.614E-03 0.274E-03
DAV: 11 -0.560461724106E+03 -0.14740E-04 -0.15505E-06 18612 0.303E-03 0.187E-03
DAV: 12 -0.560461734693E+03 -0.10587E-04 -0.18044E-06 17556 0.317E-03 0.933E-04
DAV: 13 -0.560461739560E+03 -0.48675E-05 -0.67553E-07 18060 0.194E-03
276 F= -.56046174E+03 E0= -.56046568E+03 d E =-.986816E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560467341379E+03 -0.56067E-02 -0.62026E+00 21924 0.627E+00 0.694E-01
DAV: 2 -0.560471224921E+03 -0.38835E-02 -0.12327E-01 23010 0.854E-01 0.398E-01
DAV: 3 -0.560468872839E+03 0.23521E-02 -0.74246E-03 25908 0.244E-01 0.187E-01
DAV: 4 -0.560468605090E+03 0.26775E-03 -0.22674E-03 26268 0.137E-01 0.672E-02
DAV: 5 -0.560468634975E+03 -0.29886E-04 -0.27642E-04 24144 0.491E-02 0.312E-02
DAV: 6 -0.560468671003E+03 -0.36028E-04 -0.88498E-05 24216 0.259E-02 0.146E-02
DAV: 7 -0.560468704042E+03 -0.33039E-04 -0.11239E-05 18438 0.123E-02 0.540E-03
DAV: 8 -0.560468736399E+03 -0.32358E-04 -0.13366E-05 19650 0.958E-03 0.465E-03
DAV: 9 -0.560468750990E+03 -0.14590E-04 -0.20823E-06 17076 0.472E-03 0.257E-03
DAV: 10 -0.560468786406E+03 -0.35416E-04 -0.53431E-06 16692 0.588E-03 0.256E-03
DAV: 11 -0.560468808437E+03 -0.22031E-04 -0.21867E-06 18300 0.319E-03 0.179E-03
DAV: 12 -0.560468819575E+03 -0.11138E-04 -0.18503E-06 18072 0.323E-03 0.852E-04
DAV: 13 -0.560468824128E+03 -0.45524E-05 -0.68992E-07 17808 0.170E-03
277 F= -.56046882E+03 E0= -.56047277E+03 d E =-.708457E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560469184364E+03 -0.36479E-03 -0.90522E-01 21924 0.240E+00 0.262E-01
DAV: 2 -0.560469739704E+03 -0.55534E-03 -0.17803E-02 23022 0.325E-01 0.152E-01
DAV: 3 -0.560469393940E+03 0.34576E-03 -0.11031E-03 25764 0.935E-02 0.696E-02
DAV: 4 -0.560469360073E+03 0.33867E-04 -0.32622E-04 25992 0.518E-02 0.250E-02
DAV: 5 -0.560469365340E+03 -0.52678E-05 -0.37374E-05 21984 0.184E-02
278 F= -.56046937E+03 E0= -.56047331E+03 d E =-.762578E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560476611436E+03 -0.72514E-02 -0.58217E+00 21924 0.609E+00 0.713E-01
DAV: 2 -0.560479267551E+03 -0.26561E-02 -0.11916E-01 22788 0.843E-01 0.391E-01
DAV: 3 -0.560476872976E+03 0.23946E-02 -0.79570E-03 26256 0.251E-01 0.179E-01
DAV: 4 -0.560476637585E+03 0.23539E-03 -0.21781E-03 26412 0.136E-01 0.662E-02
DAV: 5 -0.560476682186E+03 -0.44601E-04 -0.26921E-04 23760 0.487E-02 0.305E-02
DAV: 6 -0.560476735831E+03 -0.53645E-04 -0.84051E-05 24924 0.258E-02 0.140E-02
DAV: 7 -0.560476782811E+03 -0.46980E-04 -0.10688E-05 18672 0.116E-02 0.548E-03
DAV: 8 -0.560476826075E+03 -0.43264E-04 -0.13240E-05 19428 0.953E-03 0.451E-03
DAV: 9 -0.560476847674E+03 -0.21600E-04 -0.23326E-06 17760 0.489E-03 0.256E-03
DAV: 10 -0.560476895025E+03 -0.47351E-04 -0.63282E-06 16740 0.631E-03 0.261E-03
DAV: 11 -0.560476920393E+03 -0.25368E-04 -0.28046E-06 18552 0.352E-03 0.197E-03
DAV: 12 -0.560476931502E+03 -0.11109E-04 -0.18415E-06 18240 0.329E-03 0.787E-04
DAV: 13 -0.560476937242E+03 -0.57398E-05 -0.85200E-07 17724 0.178E-03
279 F= -.56047694E+03 E0= -.56048089E+03 d E =-.757190E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560478463737E+03 -0.15322E-02 -0.34951E+00 21924 0.472E+00 0.552E-01
DAV: 2 -0.560480029513E+03 -0.15658E-02 -0.71153E-02 23202 0.653E-01 0.304E-01
DAV: 3 -0.560478589643E+03 0.14399E-02 -0.48901E-03 26028 0.196E-01 0.137E-01
DAV: 4 -0.560478441069E+03 0.14857E-03 -0.12878E-03 26280 0.105E-01 0.512E-02
DAV: 5 -0.560478460405E+03 -0.19336E-04 -0.15991E-04 24444 0.374E-02 0.235E-02
DAV: 6 -0.560478487234E+03 -0.26829E-04 -0.49689E-05 24048 0.198E-02 0.109E-02
DAV: 7 -0.560478512276E+03 -0.25042E-04 -0.62085E-06 17736 0.896E-03 0.417E-03
DAV: 8 -0.560478535913E+03 -0.23637E-04 -0.74733E-06 17520 0.726E-03 0.329E-03
DAV: 9 -0.560478547327E+03 -0.11414E-04 -0.12902E-06 17124 0.354E-03 0.200E-03
DAV: 10 -0.560478571071E+03 -0.23744E-04 -0.34631E-06 16992 0.489E-03 0.208E-03
DAV: 11 -0.560478582636E+03 -0.11565E-04 -0.12139E-06 18624 0.263E-03 0.138E-03
DAV: 12 -0.560478588688E+03 -0.60519E-05 -0.96749E-07 17316 0.231E-03
280 F= -.56047859E+03 E0= -.56048255E+03 d E =-.922335E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560484397140E+03 -0.58145E-02 -0.53079E+00 21924 0.582E+00 0.665E-01
DAV: 2 -0.560487207848E+03 -0.28107E-02 -0.10702E-01 23034 0.805E-01 0.371E-01
DAV: 3 -0.560485187428E+03 0.20204E-02 -0.70339E-03 25956 0.237E-01 0.171E-01
DAV: 4 -0.560484964426E+03 0.22300E-03 -0.19672E-03 26328 0.131E-01 0.612E-02
DAV: 5 -0.560484991215E+03 -0.26789E-04 -0.24741E-04 24468 0.461E-02 0.292E-02
DAV: 6 -0.560485026867E+03 -0.35652E-04 -0.84432E-05 24108 0.256E-02 0.142E-02
DAV: 7 -0.560485058674E+03 -0.31806E-04 -0.10763E-05 18480 0.121E-02 0.537E-03
DAV: 8 -0.560485089229E+03 -0.30555E-04 -0.13287E-05 18996 0.964E-03 0.450E-03
DAV: 9 -0.560485103497E+03 -0.14268E-04 -0.20578E-06 17112 0.470E-03 0.254E-03
DAV: 10 -0.560485134607E+03 -0.31110E-04 -0.49792E-06 16806 0.595E-03 0.248E-03
DAV: 11 -0.560485154199E+03 -0.19592E-04 -0.20044E-06 18372 0.326E-03 0.176E-03
DAV: 12 -0.560485163117E+03 -0.89183E-05 -0.14586E-06 18228 0.291E-03
281 F= -.56048516E+03 E0= -.56048912E+03 d E =-.657443E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560485941552E+03 -0.78735E-03 -0.57167E+00 21924 0.604E+00 0.691E-01
DAV: 2 -0.560488945335E+03 -0.30038E-02 -0.11537E-01 22950 0.836E-01 0.385E-01
DAV: 3 -0.560486764549E+03 0.21808E-02 -0.75824E-03 25956 0.246E-01 0.178E-01
DAV: 4 -0.560486522873E+03 0.24168E-03 -0.21273E-03 26352 0.136E-01 0.637E-02
DAV: 5 -0.560486551061E+03 -0.28188E-04 -0.26708E-04 24648 0.481E-02 0.304E-02
DAV: 6 -0.560486589247E+03 -0.38186E-04 -0.91144E-05 24156 0.266E-02 0.147E-02
DAV: 7 -0.560486623264E+03 -0.34017E-04 -0.11628E-05 18468 0.125E-02 0.556E-03
DAV: 8 -0.560486656024E+03 -0.32759E-04 -0.14986E-05 21816 0.998E-03 0.497E-03
DAV: 9 -0.560486670206E+03 -0.14182E-04 -0.20206E-06 17112 0.493E-03 0.259E-03
DAV: 10 -0.560486702722E+03 -0.32516E-04 -0.48920E-06 16794 0.573E-03 0.239E-03
DAV: 11 -0.560486725462E+03 -0.22739E-04 -0.21291E-06 18228 0.323E-03 0.194E-03
DAV: 12 -0.560486734838E+03 -0.93764E-05 -0.13644E-06 18372 0.298E-03
282 F= -.56048673E+03 E0= -.56049069E+03 d E =-.814615E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560492861307E+03 -0.61358E-02 -0.72360E+00 21924 0.677E+00 0.763E-01
DAV: 2 -0.560497118448E+03 -0.42571E-02 -0.14398E-01 23646 0.923E-01 0.430E-01
DAV: 3 -0.560494378611E+03 0.27398E-02 -0.81973E-03 25848 0.257E-01 0.201E-01
DAV: 4 -0.560494090255E+03 0.28836E-03 -0.27692E-03 26340 0.148E-01 0.692E-02
DAV: 5 -0.560494126239E+03 -0.35985E-04 -0.30645E-04 24060 0.526E-02 0.329E-02
DAV: 6 -0.560494169363E+03 -0.43123E-04 -0.10489E-04 24300 0.277E-02 0.155E-02
DAV: 7 -0.560494205120E+03 -0.35757E-04 -0.13033E-05 18600 0.131E-02 0.567E-03
DAV: 8 -0.560494240223E+03 -0.35103E-04 -0.16248E-05 21546 0.104E-02 0.541E-03
DAV: 9 -0.560494253802E+03 -0.13579E-04 -0.23215E-06 17124 0.526E-03 0.278E-03
DAV: 10 -0.560494288546E+03 -0.34745E-04 -0.52745E-06 16722 0.593E-03 0.251E-03
DAV: 11 -0.560494314617E+03 -0.26071E-04 -0.23455E-06 18180 0.327E-03 0.199E-03
DAV: 12 -0.560494327171E+03 -0.12553E-04 -0.18309E-06 18204 0.334E-03 0.726E-04
DAV: 13 -0.560494332428E+03 -0.52577E-05 -0.76383E-07 17952 0.182E-03
283 F= -.56049433E+03 E0= -.56049829E+03 d E =-.759759E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560495573039E+03 -0.12459E-02 -0.16816E+01 21924 0.103E+01 0.118E+00
DAV: 2 -0.560505463313E+03 -0.98903E-02 -0.33870E-01 23826 0.141E+00 0.655E-01
DAV: 3 -0.560499172526E+03 0.62908E-02 -0.18773E-02 26244 0.391E-01 0.314E-01
DAV: 4 -0.560498467995E+03 0.70453E-03 -0.66173E-03 26388 0.229E-01 0.108E-01
DAV: 5 -0.560498543494E+03 -0.75499E-04 -0.74667E-04 24024 0.821E-02 0.514E-02
DAV: 6 -0.560498630141E+03 -0.86648E-04 -0.25500E-04 24360 0.431E-02 0.239E-02
DAV: 7 -0.560498698069E+03 -0.67928E-04 -0.35462E-05 23640 0.203E-02 0.804E-03
DAV: 8 -0.560498759343E+03 -0.61274E-04 -0.24007E-05 24072 0.133E-02 0.673E-03
DAV: 9 -0.560498792434E+03 -0.33091E-04 -0.44879E-06 18372 0.732E-03 0.329E-03
DAV: 10 -0.560498857817E+03 -0.65383E-04 -0.90203E-06 16830 0.764E-03 0.352E-03
DAV: 11 -0.560498907095E+03 -0.49279E-04 -0.45430E-06 18084 0.460E-03 0.220E-03
DAV: 12 -0.560498934986E+03 -0.27890E-04 -0.48236E-06 18012 0.514E-03 0.169E-03
DAV: 13 -0.560498942697E+03 -0.77115E-05 -0.12673E-06 18732 0.260E-03
284 F= -.56049894E+03 E0= -.56050291E+03 d E =-.122079E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560505776038E+03 -0.68411E-02 -0.10864E+01 21924 0.829E+00 0.926E-01
DAV: 2 -0.560513561698E+03 -0.77857E-02 -0.22046E-01 23850 0.112E+00 0.527E-01
DAV: 3 -0.560509471473E+03 0.40902E-02 -0.11061E-02 26100 0.300E-01 0.253E-01
DAV: 4 -0.560509015928E+03 0.45555E-03 -0.40676E-03 26376 0.174E-01 0.854E-02
DAV: 5 -0.560509069213E+03 -0.53286E-04 -0.46217E-04 23880 0.642E-02 0.378E-02
DAV: 6 -0.560509122486E+03 -0.53272E-04 -0.13139E-04 25044 0.313E-02 0.174E-02
DAV: 7 -0.560509164714E+03 -0.42228E-04 -0.15888E-05 18972 0.146E-02 0.642E-03
DAV: 8 -0.560509209267E+03 -0.44553E-04 -0.18076E-05 21564 0.111E-02 0.583E-03
DAV: 9 -0.560509227011E+03 -0.17744E-04 -0.26629E-06 17100 0.572E-03 0.310E-03
DAV: 10 -0.560509275342E+03 -0.48332E-04 -0.76602E-06 16716 0.724E-03 0.320E-03
DAV: 11 -0.560509301515E+03 -0.26173E-04 -0.25288E-06 18576 0.366E-03 0.245E-03
DAV: 12 -0.560509320985E+03 -0.19470E-04 -0.32131E-06 17352 0.455E-03 0.123E-03
DAV: 13 -0.560509327713E+03 -0.67281E-05 -0.10515E-06 18492 0.227E-03
285 F= -.56050933E+03 E0= -.56051331E+03 d E =-.103850E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560509541625E+03 -0.22064E-03 -0.76156E-01 21924 0.219E+00 0.241E-01
DAV: 2 -0.560510069719E+03 -0.52809E-03 -0.15130E-02 23796 0.295E-01 0.139E-01
DAV: 3 -0.560509777915E+03 0.29180E-03 -0.80013E-04 25752 0.799E-02 0.645E-02
DAV: 4 -0.560509751516E+03 0.26399E-04 -0.27457E-04 25992 0.450E-02 0.218E-02
DAV: 5 -0.560509756371E+03 -0.48549E-05 -0.28789E-05 21012 0.163E-02
286 F= -.56050976E+03 E0= -.56051375E+03 d E =-.108137E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560514295760E+03 -0.45442E-02 -0.10502E+01 21924 0.814E+00 0.870E-01
DAV: 2 -0.560522534718E+03 -0.82390E-02 -0.20494E-01 23292 0.108E+00 0.518E-01
DAV: 3 -0.560518745080E+03 0.37896E-02 -0.10249E-02 26100 0.294E-01 0.245E-01
DAV: 4 -0.560518344829E+03 0.40025E-03 -0.36951E-03 26148 0.169E-01 0.799E-02
DAV: 5 -0.560518408288E+03 -0.63460E-04 -0.43968E-04 23928 0.610E-02 0.378E-02
DAV: 6 -0.560518468361E+03 -0.60073E-04 -0.12581E-04 25080 0.308E-02 0.173E-02
DAV: 7 -0.560518516221E+03 -0.47860E-04 -0.17113E-05 20208 0.156E-02 0.616E-03
DAV: 8 -0.560518564039E+03 -0.47818E-04 -0.14997E-05 18546 0.107E-02 0.502E-03
DAV: 9 -0.560518589793E+03 -0.25755E-04 -0.32775E-06 17724 0.564E-03 0.281E-03
DAV: 10 -0.560518645553E+03 -0.55760E-04 -0.78711E-06 16758 0.733E-03 0.317E-03
DAV: 11 -0.560518674278E+03 -0.28725E-04 -0.33642E-06 18564 0.422E-03 0.220E-03
DAV: 12 -0.560518690602E+03 -0.16324E-04 -0.34395E-06 17640 0.455E-03 0.137E-03
DAV: 13 -0.560518696128E+03 -0.55264E-05 -0.10228E-06 18072 0.226E-03
287 F= -.56051870E+03 E0= -.56052271E+03 d E =-.893976E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560518782910E+03 -0.92308E-04 -0.74724E-01 21924 0.217E+00 0.228E-01
DAV: 2 -0.560519358801E+03 -0.57589E-03 -0.14361E-02 23988 0.288E-01 0.139E-01
DAV: 3 -0.560519084651E+03 0.27415E-03 -0.75003E-04 25668 0.790E-02 0.629E-02
DAV: 4 -0.560519062027E+03 0.22624E-04 -0.25327E-04 25824 0.439E-02 0.205E-02
DAV: 5 -0.560519066784E+03 -0.47572E-05 -0.28091E-05 20832 0.155E-02
288 F= -.56051907E+03 E0= -.56052309E+03 d E =-.931041E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560525709602E+03 -0.66476E-02 -0.87152E+00 21924 0.742E+00 0.809E-01
DAV: 2 -0.560531605914E+03 -0.58963E-02 -0.17063E-01 23538 0.998E-01 0.472E-01
DAV: 3 -0.560528288817E+03 0.33171E-02 -0.91728E-03 26208 0.275E-01 0.223E-01
DAV: 4 -0.560527968463E+03 0.32035E-03 -0.33547E-03 26304 0.158E-01 0.772E-02
DAV: 5 -0.560528028273E+03 -0.59810E-04 -0.37490E-04 23724 0.584E-02 0.351E-02
DAV: 6 -0.560528088172E+03 -0.59899E-04 -0.10140E-04 25224 0.272E-02 0.155E-02
DAV: 7 -0.560528137738E+03 -0.49566E-04 -0.12303E-05 18936 0.123E-02 0.538E-03
DAV: 8 -0.560528182425E+03 -0.44687E-04 -0.11235E-05 17832 0.883E-03 0.412E-03
DAV: 9 -0.560528207958E+03 -0.25532E-04 -0.26009E-06 17592 0.476E-03 0.239E-03
DAV: 10 -0.560528258687E+03 -0.50730E-04 -0.66851E-06 16908 0.630E-03 0.292E-03
DAV: 11 -0.560528281230E+03 -0.22542E-04 -0.24665E-06 18720 0.343E-03 0.170E-03
DAV: 12 -0.560528295170E+03 -0.13941E-04 -0.27914E-06 17556 0.381E-03 0.151E-03
DAV: 13 -0.560528300274E+03 -0.51042E-05 -0.89828E-07 18084 0.222E-03
289 F= -.56052830E+03 E0= -.56053231E+03 d E =-.923349E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560528827527E+03 -0.53236E-03 -0.27816E+00 21924 0.419E+00 0.454E-01
DAV: 2 -0.560530684755E+03 -0.18572E-02 -0.53964E-02 23916 0.561E-01 0.267E-01
DAV: 3 -0.560529618961E+03 0.10658E-02 -0.29918E-03 25896 0.156E-01 0.123E-01
DAV: 4 -0.560529522711E+03 0.96250E-04 -0.10476E-03 25992 0.881E-02 0.426E-02
DAV: 5 -0.560529539845E+03 -0.17134E-04 -0.11443E-04 24084 0.321E-02 0.195E-02
DAV: 6 -0.560529557997E+03 -0.18152E-04 -0.30014E-05 22704 0.151E-02 0.856E-03
DAV: 7 -0.560529574092E+03 -0.16096E-04 -0.40971E-06 17046 0.697E-03 0.295E-03
DAV: 8 -0.560529588015E+03 -0.13923E-04 -0.34661E-06 17268 0.493E-03 0.223E-03
DAV: 9 -0.560529595230E+03 -0.72145E-05 -0.70510E-07 16968 0.255E-03
290 F= -.56052960E+03 E0= -.56053360E+03 d E =-.105284E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560536106723E+03 -0.65187E-02 -0.10717E+01 21924 0.823E+00 0.920E-01
DAV: 2 -0.560542980924E+03 -0.68742E-02 -0.21412E-01 23316 0.111E+00 0.531E-01
DAV: 3 -0.560538794597E+03 0.41863E-02 -0.11705E-02 25860 0.316E-01 0.249E-01
DAV: 4 -0.560538371220E+03 0.42338E-03 -0.41654E-03 26388 0.177E-01 0.864E-02
DAV: 5 -0.560538436764E+03 -0.65544E-04 -0.47469E-04 23976 0.653E-02 0.397E-02
DAV: 6 -0.560538500886E+03 -0.64121E-04 -0.11267E-04 25200 0.300E-02 0.170E-02
DAV: 7 -0.560538561301E+03 -0.60415E-04 -0.13381E-05 17730 0.130E-02 0.593E-03
DAV: 8 -0.560538614390E+03 -0.53089E-04 -0.12701E-05 18840 0.945E-03 0.452E-03
DAV: 9 -0.560538643133E+03 -0.28743E-04 -0.26508E-06 17580 0.514E-03 0.259E-03
DAV: 10 -0.560538706630E+03 -0.63497E-04 -0.79076E-06 16752 0.687E-03 0.290E-03
DAV: 11 -0.560538735200E+03 -0.28570E-04 -0.33025E-06 18684 0.404E-03 0.173E-03
DAV: 12 -0.560538749643E+03 -0.14443E-04 -0.27417E-06 17832 0.390E-03 0.160E-03
DAV: 13 -0.560538755789E+03 -0.61461E-05 -0.98866E-07 18132 0.227E-03
291 F= -.56053876E+03 E0= -.56054275E+03 d E =-.916056E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560539044127E+03 -0.29448E-03 -0.18921E+00 21924 0.345E+00 0.382E-01
DAV: 2 -0.560540248903E+03 -0.12048E-02 -0.37356E-02 23892 0.466E-01 0.224E-01
DAV: 3 -0.560539500659E+03 0.74824E-03 -0.21129E-03 25764 0.133E-01 0.102E-01
DAV: 4 -0.560539432488E+03 0.68171E-04 -0.72091E-04 26088 0.736E-02 0.351E-02
DAV: 5 -0.560539444715E+03 -0.12227E-04 -0.80346E-05 24708 0.269E-02 0.162E-02
DAV: 6 -0.560539456944E+03 -0.12229E-04 -0.16673E-05 17820 0.123E-02 0.681E-03
DAV: 7 -0.560539470043E+03 -0.13099E-04 -0.34157E-06 16860 0.556E-03 0.247E-03
DAV: 8 -0.560539480236E+03 -0.10193E-04 -0.16233E-06 16704 0.377E-03 0.152E-03
DAV: 9 -0.560539487636E+03 -0.74001E-05 -0.60804E-07 17184 0.209E-03
292 F= -.56053949E+03 E0= -.56054348E+03 d E =-.989241E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560545663585E+03 -0.61833E-02 -0.82037E+00 21924 0.719E+00 0.795E-01
DAV: 2 -0.560551390668E+03 -0.57271E-02 -0.16349E-01 23268 0.973E-01 0.463E-01
DAV: 3 -0.560548270724E+03 0.31199E-02 -0.90934E-03 25812 0.278E-01 0.213E-01
DAV: 4 -0.560547965925E+03 0.30480E-03 -0.29230E-03 27120 0.154E-01 0.725E-02
DAV: 5 -0.560548019207E+03 -0.53282E-04 -0.35230E-04 24060 0.543E-02 0.344E-02
DAV: 6 -0.560548069856E+03 -0.50649E-04 -0.93550E-05 24792 0.277E-02 0.156E-02
DAV: 7 -0.560548117585E+03 -0.47729E-04 -0.13094E-05 18216 0.135E-02 0.552E-03
DAV: 8 -0.560548158370E+03 -0.40786E-04 -0.12406E-05 18234 0.952E-03 0.430E-03
DAV: 9 -0.560548181100E+03 -0.22729E-04 -0.25869E-06 17460 0.506E-03 0.248E-03
DAV: 10 -0.560548224323E+03 -0.43223E-04 -0.55896E-06 16818 0.609E-03 0.244E-03
DAV: 11 -0.560548246605E+03 -0.22282E-04 -0.25329E-06 18684 0.367E-03 0.164E-03
DAV: 12 -0.560548257471E+03 -0.10867E-04 -0.20720E-06 18060 0.356E-03 0.114E-03
DAV: 13 -0.560548261993E+03 -0.45214E-05 -0.75050E-07 17628 0.185E-03
293 F= -.56054826E+03 E0= -.56055227E+03 d E =-.877436E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560548803986E+03 -0.54651E-03 -0.39941E+00 21924 0.502E+00 0.552E-01
DAV: 2 -0.560551574728E+03 -0.27707E-02 -0.79109E-02 23712 0.678E-01 0.324E-01
DAV: 3 -0.560550047635E+03 0.15271E-02 -0.44759E-03 25872 0.195E-01 0.147E-01
DAV: 4 -0.560549903895E+03 0.14374E-03 -0.14098E-03 26844 0.107E-01 0.499E-02
DAV: 5 -0.560549928664E+03 -0.24769E-04 -0.16862E-04 24612 0.376E-02 0.237E-02
DAV: 6 -0.560549952952E+03 -0.24288E-04 -0.42492E-05 24132 0.188E-02 0.107E-02
DAV: 7 -0.560549976504E+03 -0.23552E-04 -0.60367E-06 17358 0.914E-03 0.377E-03
DAV: 8 -0.560549996146E+03 -0.19641E-04 -0.55724E-06 17388 0.645E-03 0.286E-03
DAV: 9 -0.560550006945E+03 -0.10799E-04 -0.11600E-06 16848 0.343E-03 0.168E-03
DAV: 10 -0.560550026988E+03 -0.20044E-04 -0.26466E-06 17298 0.430E-03 0.178E-03
DAV: 11 -0.560550036239E+03 -0.92502E-05 -0.97186E-07 18360 0.249E-03
294 F= -.56055004E+03 E0= -.56055405E+03 d E =-.105486E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560556302960E+03 -0.62760E-02 -0.10759E+01 21924 0.823E+00 0.922E-01
DAV: 2 -0.560564020342E+03 -0.77174E-02 -0.21855E-01 23544 0.112E+00 0.519E-01
DAV: 3 -0.560560135333E+03 0.38850E-02 -0.11051E-02 25896 0.304E-01 0.251E-01
DAV: 4 -0.560559695299E+03 0.44003E-03 -0.40789E-03 26340 0.178E-01 0.837E-02
DAV: 5 -0.560559759316E+03 -0.64017E-04 -0.47457E-04 24012 0.633E-02 0.395E-02
DAV: 6 -0.560559819364E+03 -0.60048E-04 -0.13784E-04 24120 0.323E-02 0.181E-02
DAV: 7 -0.560559870660E+03 -0.51295E-04 -0.19955E-05 20004 0.155E-02 0.616E-03
DAV: 8 -0.560559914036E+03 -0.43377E-04 -0.16092E-05 21576 0.106E-02 0.523E-03
DAV: 9 -0.560559935214E+03 -0.21178E-04 -0.28937E-06 17496 0.553E-03 0.272E-03
DAV: 10 -0.560559979960E+03 -0.44746E-04 -0.67239E-06 16914 0.658E-03 0.301E-03
DAV: 11 -0.560560002790E+03 -0.22830E-04 -0.23993E-06 18636 0.345E-03 0.200E-03
DAV: 12 -0.560560018072E+03 -0.15282E-04 -0.30799E-06 17544 0.431E-03 0.157E-03
DAV: 13 -0.560560022874E+03 -0.48025E-05 -0.88018E-07 17904 0.225E-03
295 F= -.56056002E+03 E0= -.56056406E+03 d E =-.998664E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560560528060E+03 -0.50999E-03 -0.33238E+00 21924 0.457E+00 0.507E-01
DAV: 2 -0.560562893816E+03 -0.23658E-02 -0.66839E-02 23712 0.620E-01 0.289E-01
DAV: 3 -0.560561681338E+03 0.12125E-02 -0.34536E-03 25920 0.169E-01 0.136E-01
DAV: 4 -0.560561557107E+03 0.12423E-03 -0.12388E-03 26160 0.975E-02 0.453E-02
DAV: 5 -0.560561578654E+03 -0.21547E-04 -0.14064E-04 23856 0.345E-02 0.214E-02
DAV: 6 -0.560561599016E+03 -0.20362E-04 -0.39840E-05 23394 0.175E-02 0.983E-03
DAV: 7 -0.560561616503E+03 -0.17487E-04 -0.57153E-06 17328 0.847E-03 0.349E-03
DAV: 8 -0.560561631422E+03 -0.14919E-04 -0.54693E-06 17292 0.628E-03 0.291E-03
DAV: 9 -0.560561637982E+03 -0.65598E-05 -0.94463E-07 17076 0.314E-03
296 F= -.56056164E+03 E0= -.56056568E+03 d E =-.116017E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560567670825E+03 -0.60394E-02 -0.12523E+01 21924 0.886E+00 0.972E-01
DAV: 2 -0.560577349416E+03 -0.96786E-02 -0.25363E-01 23196 0.121E+00 0.557E-01
DAV: 3 -0.560573045016E+03 0.43044E-02 -0.12249E-02 25920 0.320E-01 0.274E-01
DAV: 4 -0.560572543074E+03 0.50194E-03 -0.47769E-03 26340 0.192E-01 0.915E-02
DAV: 5 -0.560572619848E+03 -0.76774E-04 -0.55944E-04 23892 0.694E-02 0.432E-02
DAV: 6 -0.560572692082E+03 -0.72233E-04 -0.17097E-04 24186 0.349E-02 0.200E-02
DAV: 7 -0.560572749554E+03 -0.57473E-04 -0.24508E-05 22224 0.170E-02 0.654E-03
DAV: 8 -0.560572798859E+03 -0.49304E-04 -0.15581E-05 19716 0.107E-02 0.498E-03
DAV: 9 -0.560572826664E+03 -0.27805E-04 -0.33627E-06 17652 0.535E-03 0.275E-03
DAV: 10 -0.560572878873E+03 -0.52209E-04 -0.75410E-06 16968 0.677E-03 0.321E-03
DAV: 11 -0.560572906098E+03 -0.27225E-04 -0.29756E-06 18564 0.377E-03 0.170E-03
DAV: 12 -0.560572922846E+03 -0.16748E-04 -0.36057E-06 17628 0.418E-03 0.188E-03
DAV: 13 -0.560572927838E+03 -0.49920E-05 -0.99025E-07 18144 0.246E-03
297 F= -.56057293E+03 E0= -.56057696E+03 d E =-.112899E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560572112446E+03 0.81040E-03 -0.85253E+00 21924 0.731E+00 0.800E-01
DAV: 2 -0.560578654798E+03 -0.65424E-02 -0.17183E-01 23862 0.993E-01 0.460E-01
DAV: 3 -0.560575710947E+03 0.29439E-02 -0.84125E-03 25992 0.265E-01 0.224E-01
DAV: 4 -0.560575374639E+03 0.33631E-03 -0.32305E-03 26220 0.157E-01 0.747E-02
DAV: 5 -0.560575421906E+03 -0.47267E-04 -0.37351E-04 23964 0.569E-02 0.353E-02
DAV: 6 -0.560575467262E+03 -0.45357E-04 -0.11409E-04 24072 0.285E-02 0.164E-02
DAV: 7 -0.560575503731E+03 -0.36469E-04 -0.15088E-05 19104 0.139E-02 0.557E-03
DAV: 8 -0.560575535950E+03 -0.32218E-04 -0.13965E-05 20232 0.974E-03 0.483E-03
DAV: 9 -0.560575549777E+03 -0.13828E-04 -0.21917E-06 17016 0.482E-03 0.252E-03
DAV: 10 -0.560575581534E+03 -0.31757E-04 -0.55624E-06 16896 0.597E-03 0.291E-03
DAV: 11 -0.560575598974E+03 -0.17439E-04 -0.17544E-06 18648 0.307E-03 0.162E-03
DAV: 12 -0.560575610645E+03 -0.11671E-04 -0.24043E-06 17472 0.358E-03 0.150E-03
DAV: 13 -0.560575614656E+03 -0.40108E-05 -0.67660E-07 17916 0.200E-03
298 F= -.56057561E+03 E0= -.56057964E+03 d E =-.139767E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560581630046E+03 -0.60194E-02 -0.76526E+00 21924 0.691E+00 0.764E-01
DAV: 2 -0.560587555271E+03 -0.59252E-02 -0.15649E-01 23820 0.944E-01 0.436E-01
DAV: 3 -0.560584898391E+03 0.26569E-02 -0.78630E-03 26004 0.253E-01 0.210E-01
DAV: 4 -0.560584598809E+03 0.29958E-03 -0.27890E-03 26160 0.149E-01 0.706E-02
DAV: 5 -0.560584644761E+03 -0.45952E-04 -0.33694E-04 24096 0.536E-02 0.329E-02
DAV: 6 -0.560584686060E+03 -0.41299E-04 -0.98706E-05 23940 0.268E-02 0.153E-02
DAV: 7 -0.560584720022E+03 -0.33962E-04 -0.13254E-05 18480 0.132E-02 0.512E-03
DAV: 8 -0.560584748700E+03 -0.28678E-04 -0.13143E-05 19020 0.955E-03 0.467E-03
DAV: 9 -0.560584760288E+03 -0.11588E-04 -0.21723E-06 17136 0.484E-03 0.248E-03
DAV: 10 -0.560584784823E+03 -0.24534E-04 -0.43093E-06 17046 0.548E-03 0.247E-03
DAV: 11 -0.560584801200E+03 -0.16378E-04 -0.15653E-06 18504 0.297E-03 0.157E-03
DAV: 12 -0.560584810028E+03 -0.88279E-05 -0.14651E-06 17988 0.289E-03
299 F= -.56058481E+03 E0= -.56058883E+03 d E =-.919537E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560573499651E+03 0.11302E-01 -0.45534E+01 21924 0.169E+01 0.193E+00
DAV: 2 -0.560609916677E+03 -0.36417E-01 -0.97255E-01 23322 0.234E+00 0.107E+00
DAV: 3 -0.560594537434E+03 0.15379E-01 -0.45194E-02 26112 0.619E-01 0.548E-01
DAV: 4 -0.560592361658E+03 0.21758E-02 -0.17924E-02 26388 0.378E-01 0.187E-01
DAV: 5 -0.560592604014E+03 -0.24236E-03 -0.23217E-03 24072 0.140E-01 0.851E-02
DAV: 6 -0.560592791115E+03 -0.18710E-03 -0.62939E-04 24096 0.681E-02 0.379E-02
DAV: 7 -0.560592943645E+03 -0.15253E-03 -0.88333E-05 25776 0.316E-02 0.120E-02
DAV: 8 -0.560593063471E+03 -0.11983E-03 -0.47949E-05 25884 0.187E-02 0.976E-03
DAV: 9 -0.560593128415E+03 -0.64944E-04 -0.98113E-06 18696 0.108E-02 0.461E-03
DAV: 10 -0.560593255791E+03 -0.12738E-03 -0.20545E-05 18918 0.106E-02 0.534E-03
DAV: 11 -0.560593329685E+03 -0.73895E-04 -0.64220E-06 18504 0.648E-03 0.277E-03
DAV: 12 -0.560593371321E+03 -0.41636E-04 -0.88063E-06 18048 0.646E-03 0.248E-03
DAV: 13 -0.560593383615E+03 -0.12294E-04 -0.17480E-06 18768 0.313E-03 0.145E-03
DAV: 14 -0.560593389494E+03 -0.58792E-05 -0.12349E-06 17136 0.247E-03
300 F= -.56059339E+03 E0= -.56059741E+03 d E =-.177748E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560599402768E+03 -0.60192E-02 -0.80056E+00 21924 0.706E+00 0.786E-01
DAV: 2 -0.560605502090E+03 -0.60993E-02 -0.16397E-01 23688 0.966E-01 0.448E-01
DAV: 3 -0.560602716838E+03 0.27853E-02 -0.80272E-03 25968 0.260E-01 0.217E-01
DAV: 4 -0.560602379013E+03 0.33782E-03 -0.30095E-03 26244 0.153E-01 0.716E-02
DAV: 5 -0.560602428341E+03 -0.49328E-04 -0.36934E-04 23952 0.566E-02 0.340E-02
DAV: 6 -0.560602470355E+03 -0.42014E-04 -0.97578E-05 24024 0.278E-02 0.155E-02
DAV: 7 -0.560602507336E+03 -0.36981E-04 -0.12424E-05 18510 0.130E-02 0.531E-03
DAV: 8 -0.560602536497E+03 -0.29162E-04 -0.12002E-05 18132 0.950E-03 0.442E-03
DAV: 9 -0.560602548325E+03 -0.11827E-04 -0.21942E-06 17052 0.484E-03 0.256E-03
DAV: 10 -0.560602575377E+03 -0.27052E-04 -0.49245E-06 17118 0.633E-03 0.273E-03
DAV: 11 -0.560602590216E+03 -0.14839E-04 -0.17170E-06 18612 0.352E-03 0.177E-03
DAV: 12 -0.560602598818E+03 -0.86029E-05 -0.17548E-06 17604 0.342E-03
301 F= -.56060260E+03 E0= -.56060663E+03 d E =-.920932E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560594822558E+03 0.77677E-02 -0.40414E+01 21924 0.159E+01 0.183E+00
DAV: 2 -0.560626483934E+03 -0.31661E-01 -0.86032E-01 23418 0.220E+00 0.101E+00
DAV: 3 -0.560612756135E+03 0.13728E-01 -0.39654E-02 26136 0.585E-01 0.516E-01
DAV: 4 -0.560610771368E+03 0.19848E-02 -0.16109E-02 26412 0.355E-01 0.174E-01
DAV: 5 -0.560610987869E+03 -0.21650E-03 -0.20665E-03 24012 0.134E-01 0.807E-02
DAV: 6 -0.560611154524E+03 -0.16665E-03 -0.54617E-04 24132 0.652E-02 0.356E-02
DAV: 7 -0.560611295568E+03 -0.14104E-03 -0.73684E-05 25164 0.294E-02 0.116E-02
DAV: 8 -0.560611407889E+03 -0.11232E-03 -0.43053E-05 25500 0.180E-02 0.918E-03
DAV: 9 -0.560611466032E+03 -0.58144E-04 -0.86217E-06 18192 0.103E-02 0.451E-03
DAV: 10 -0.560611582500E+03 -0.11647E-03 -0.19073E-05 19044 0.114E-02 0.530E-03
DAV: 11 -0.560611646352E+03 -0.63852E-04 -0.60493E-06 18636 0.690E-03 0.296E-03
DAV: 12 -0.560611685007E+03 -0.38654E-04 -0.85297E-06 17556 0.719E-03 0.261E-03
DAV: 13 -0.560611696203E+03 -0.11196E-04 -0.19808E-06 18852 0.366E-03 0.139E-03
DAV: 14 -0.560611700825E+03 -0.46222E-05 -0.11098E-06 16428 0.238E-03
302 F= -.56061170E+03 E0= -.56061575E+03 d E =-.183113E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560619973924E+03 -0.82777E-02 -0.55713E+00 21924 0.589E+00 0.650E-01
DAV: 2 -0.560623800497E+03 -0.38266E-02 -0.11009E-01 23790 0.795E-01 0.375E-01
DAV: 3 -0.560621791634E+03 0.20089E-02 -0.58243E-03 26040 0.222E-01 0.177E-01
DAV: 4 -0.560621591209E+03 0.20043E-03 -0.20280E-03 26208 0.126E-01 0.597E-02
DAV: 5 -0.560621627339E+03 -0.36131E-04 -0.23478E-04 23844 0.450E-02 0.281E-02
DAV: 6 -0.560621658145E+03 -0.30806E-04 -0.64951E-05 24210 0.228E-02 0.127E-02
DAV: 7 -0.560621683763E+03 -0.25618E-04 -0.84029E-06 17988 0.105E-02 0.443E-03
DAV: 8 -0.560621704640E+03 -0.20877E-04 -0.85442E-06 17424 0.795E-03 0.364E-03
DAV: 9 -0.560621713350E+03 -0.87094E-05 -0.14806E-06 17172 0.403E-03
303 F= -.56062171E+03 E0= -.56062577E+03 d E =-.100125E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560623479007E+03 -0.17744E-02 -0.16155E+01 21924 0.100E+01 0.112E+00
DAV: 2 -0.560634577509E+03 -0.11099E-01 -0.32370E-01 23076 0.136E+00 0.639E-01
DAV: 3 -0.560628774657E+03 0.58029E-02 -0.16565E-02 25908 0.376E-01 0.309E-01
DAV: 4 -0.560628133776E+03 0.64088E-03 -0.60580E-03 26412 0.218E-01 0.105E-01
DAV: 5 -0.560628243716E+03 -0.10994E-03 -0.72092E-04 23904 0.790E-02 0.491E-02
DAV: 6 -0.560628339160E+03 -0.95444E-04 -0.20196E-04 24294 0.400E-02 0.220E-02
DAV: 7 -0.560628420936E+03 -0.81776E-04 -0.27924E-05 21444 0.183E-02 0.735E-03
DAV: 8 -0.560628485209E+03 -0.64273E-04 -0.20859E-05 21432 0.124E-02 0.589E-03
DAV: 9 -0.560628517116E+03 -0.31907E-04 -0.41894E-06 17832 0.680E-03 0.308E-03
DAV: 10 -0.560628575437E+03 -0.58322E-04 -0.83165E-06 17172 0.747E-03 0.332E-03
DAV: 11 -0.560628609477E+03 -0.34039E-04 -0.38559E-06 18564 0.461E-03 0.206E-03
DAV: 12 -0.560628626412E+03 -0.16935E-04 -0.35407E-06 17976 0.468E-03 0.170E-03
DAV: 13 -0.560628632225E+03 -0.58134E-05 -0.10194E-06 17916 0.239E-03
304 F= -.56062863E+03 E0= -.56063269E+03 d E =-.169314E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560636835718E+03 -0.82093E-02 -0.10182E+01 21924 0.796E+00 0.896E-01
DAV: 2 -0.560643718378E+03 -0.68827E-02 -0.20546E-01 24516 0.108E+00 0.503E-01
DAV: 3 -0.560639965883E+03 0.37525E-02 -0.10552E-02 26160 0.296E-01 0.241E-01
DAV: 4 -0.560639586727E+03 0.37916E-03 -0.37376E-03 26328 0.168E-01 0.829E-02
DAV: 5 -0.560639651752E+03 -0.65025E-04 -0.42289E-04 23844 0.591E-02 0.374E-02
DAV: 6 -0.560639707811E+03 -0.56059E-04 -0.10667E-04 24882 0.294E-02 0.164E-02
DAV: 7 -0.560639755903E+03 -0.48092E-04 -0.14030E-05 18420 0.133E-02 0.555E-03
DAV: 8 -0.560639793196E+03 -0.37293E-04 -0.13174E-05 18708 0.962E-03 0.452E-03
DAV: 9 -0.560639809989E+03 -0.16793E-04 -0.23417E-06 17160 0.498E-03 0.256E-03
DAV: 10 -0.560639845916E+03 -0.35927E-04 -0.59128E-06 17208 0.623E-03 0.286E-03
DAV: 11 -0.560639863496E+03 -0.17580E-04 -0.19646E-06 18696 0.346E-03 0.159E-03
DAV: 12 -0.560639873909E+03 -0.10414E-04 -0.21794E-06 17868 0.352E-03 0.143E-03
DAV: 13 -0.560639878264E+03 -0.43546E-05 -0.65793E-07 17304 0.197E-03
305 F= -.56063988E+03 E0= -.56064393E+03 d E =-.112460E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560635585918E+03 0.42880E-02 -0.30036E+01 21924 0.137E+01 0.158E+00
DAV: 2 -0.560656168178E+03 -0.20582E-01 -0.62126E-01 24018 0.186E+00 0.865E-01
DAV: 3 -0.560645384790E+03 0.10783E-01 -0.30747E-02 26148 0.509E-01 0.432E-01
DAV: 4 -0.560644064034E+03 0.13208E-02 -0.11438E-02 26412 0.296E-01 0.150E-01
DAV: 5 -0.560644243234E+03 -0.17920E-03 -0.13733E-03 23880 0.106E-01 0.673E-02
DAV: 6 -0.560644380540E+03 -0.13731E-03 -0.33900E-04 24144 0.531E-02 0.288E-02
DAV: 7 -0.560644498902E+03 -0.11836E-03 -0.49198E-05 25308 0.233E-02 0.958E-03
DAV: 8 -0.560644591135E+03 -0.92233E-04 -0.29011E-05 23376 0.144E-02 0.696E-03
DAV: 9 -0.560644643779E+03 -0.52644E-04 -0.54603E-06 18192 0.797E-03 0.375E-03
DAV: 10 -0.560644738849E+03 -0.95071E-04 -0.14485E-05 18360 0.871E-03 0.409E-03
DAV: 11 -0.560644781764E+03 -0.42915E-04 -0.39038E-06 18840 0.500E-03 0.222E-03
DAV: 12 -0.560644810289E+03 -0.28525E-04 -0.60184E-06 17592 0.565E-03 0.246E-03
DAV: 13 -0.560644817903E+03 -0.76146E-05 -0.12552E-06 18492 0.293E-03
306 F= -.56064482E+03 E0= -.56064886E+03 d E =-.161857E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560650025477E+03 -0.52152E-02 -0.54752E+00 21924 0.584E+00 0.639E-01
DAV: 2 -0.560653854532E+03 -0.38291E-02 -0.10741E-01 23310 0.780E-01 0.371E-01
DAV: 3 -0.560651929612E+03 0.19249E-02 -0.55250E-03 25914 0.217E-01 0.177E-01
DAV: 4 -0.560651720834E+03 0.20878E-03 -0.19620E-03 26196 0.122E-01 0.590E-02
DAV: 5 -0.560651759387E+03 -0.38552E-04 -0.24267E-04 23754 0.448E-02 0.277E-02
DAV: 6 -0.560651787112E+03 -0.27725E-04 -0.52554E-05 25128 0.213E-02 0.122E-02
DAV: 7 -0.560651813602E+03 -0.26491E-04 -0.67552E-06 17436 0.910E-03 0.414E-03
DAV: 8 -0.560651834356E+03 -0.20754E-04 -0.60831E-06 18192 0.669E-03 0.296E-03
DAV: 9 -0.560651844036E+03 -0.96801E-05 -0.10600E-06 16992 0.334E-03
307 F= -.56065184E+03 E0= -.56065590E+03 d E =-.702613E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560644299342E+03 0.75350E-02 -0.44510E+01 21924 0.167E+01 0.190E+00
DAV: 2 -0.560676001104E+03 -0.31702E-01 -0.90965E-01 22806 0.226E+00 0.106E+00
DAV: 3 -0.560660899265E+03 0.15102E-01 -0.43596E-02 26088 0.616E-01 0.541E-01
DAV: 4 -0.560658822283E+03 0.20770E-02 -0.16941E-02 26400 0.361E-01 0.186E-01
DAV: 5 -0.560659089271E+03 -0.26699E-03 -0.21661E-03 24732 0.135E-01 0.838E-02
DAV: 6 -0.560659275858E+03 -0.18659E-03 -0.49404E-04 24984 0.639E-02 0.353E-02
DAV: 7 -0.560659447639E+03 -0.17178E-03 -0.65001E-05 25224 0.266E-02 0.114E-02
DAV: 8 -0.560659581961E+03 -0.13432E-03 -0.38921E-05 24792 0.164E-02 0.834E-03
DAV: 9 -0.560659655401E+03 -0.73440E-04 -0.71460E-06 18048 0.923E-03 0.431E-03
DAV: 10 -0.560659799540E+03 -0.14414E-03 -0.22172E-05 19866 0.105E-02 0.503E-03
DAV: 11 -0.560659867109E+03 -0.67569E-04 -0.56282E-06 18756 0.601E-03 0.260E-03
DAV: 12 -0.560659908992E+03 -0.41883E-04 -0.96477E-06 17724 0.678E-03 0.314E-03
DAV: 13 -0.560659918378E+03 -0.93852E-05 -0.17005E-06 18864 0.363E-03
308 F= -.56065992E+03 E0= -.56066399E+03 d E =-.151005E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560669496059E+03 -0.95871E-02 -0.53976E+00 21924 0.579E+00 0.631E-01
DAV: 2 -0.560673630248E+03 -0.41342E-02 -0.10762E-01 23412 0.779E-01 0.367E-01
DAV: 3 -0.560671787745E+03 0.18425E-02 -0.53460E-03 26064 0.212E-01 0.179E-01
DAV: 4 -0.560671568517E+03 0.21923E-03 -0.19527E-03 26112 0.123E-01 0.596E-02
DAV: 5 -0.560671605608E+03 -0.37091E-04 -0.25914E-04 24372 0.468E-02 0.270E-02
DAV: 6 -0.560671630262E+03 -0.24653E-04 -0.49952E-05 24660 0.202E-02 0.120E-02
DAV: 7 -0.560671653942E+03 -0.23680E-04 -0.64422E-06 17820 0.875E-03 0.373E-03
DAV: 8 -0.560671671304E+03 -0.17363E-04 -0.47959E-06 17796 0.605E-03 0.265E-03
DAV: 9 -0.560671680254E+03 -0.89497E-05 -0.10414E-06 16944 0.327E-03
309 F= -.56067168E+03 E0= -.56067577E+03 d E =-.117619E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560667409259E+03 0.42620E-02 -0.41757E+01 21924 0.161E+01 0.183E+00
DAV: 2 -0.560700408685E+03 -0.32999E-01 -0.86854E-01 22836 0.220E+00 0.102E+00
DAV: 3 -0.560686533031E+03 0.13876E-01 -0.40361E-02 26232 0.590E-01 0.532E-01
DAV: 4 -0.560684458305E+03 0.20747E-02 -0.15986E-02 26316 0.355E-01 0.182E-01
DAV: 5 -0.560684717273E+03 -0.25897E-03 -0.22268E-03 24600 0.138E-01 0.800E-02
DAV: 6 -0.560684890499E+03 -0.17323E-03 -0.45029E-04 24924 0.600E-02 0.343E-02
DAV: 7 -0.560685055771E+03 -0.16527E-03 -0.59339E-05 24894 0.249E-02 0.106E-02
DAV: 8 -0.560685176815E+03 -0.12104E-03 -0.29947E-05 24840 0.148E-02 0.725E-03
DAV: 9 -0.560685248967E+03 -0.72152E-04 -0.73329E-06 17796 0.911E-03 0.385E-03
DAV: 10 -0.560685363748E+03 -0.11478E-03 -0.16657E-05 19092 0.967E-03 0.446E-03
DAV: 11 -0.560685410329E+03 -0.46580E-04 -0.46584E-06 18804 0.585E-03 0.226E-03
DAV: 12 -0.560685438476E+03 -0.28147E-04 -0.62251E-06 17712 0.591E-03 0.269E-03
DAV: 13 -0.560685445947E+03 -0.74711E-05 -0.13499E-06 18660 0.310E-03
310 F= -.56068545E+03 E0= -.56068960E+03 d E =-.255276E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560693617454E+03 -0.81790E-02 -0.11968E+01 21924 0.861E+00 0.973E-01
DAV: 2 -0.560703068141E+03 -0.94507E-02 -0.25164E-01 23526 0.118E+00 0.544E-01
DAV: 3 -0.560698913722E+03 0.41544E-02 -0.11987E-02 26256 0.315E-01 0.275E-01
DAV: 4 -0.560698390362E+03 0.52336E-03 -0.46955E-03 26232 0.188E-01 0.953E-02
DAV: 5 -0.560698462722E+03 -0.72360E-04 -0.60567E-04 24456 0.719E-02 0.419E-02
DAV: 6 -0.560698514722E+03 -0.52000E-04 -0.12878E-04 25176 0.315E-02 0.179E-02
DAV: 7 -0.560698557487E+03 -0.42765E-04 -0.15824E-05 19200 0.140E-02 0.582E-03
DAV: 8 -0.560698589052E+03 -0.31565E-04 -0.11395E-05 18300 0.944E-03 0.425E-03
DAV: 9 -0.560698605355E+03 -0.16302E-04 -0.27221E-06 17520 0.522E-03 0.243E-03
DAV: 10 -0.560698635364E+03 -0.30009E-04 -0.49914E-06 17304 0.608E-03 0.284E-03
DAV: 11 -0.560698647954E+03 -0.12590E-04 -0.15516E-06 18792 0.346E-03 0.161E-03
DAV: 12 -0.560698657835E+03 -0.98813E-05 -0.21130E-06 17700 0.369E-03
311 F= -.56069866E+03 E0= -.56070280E+03 d E =-.132119E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560699136115E+03 -0.48816E-03 -0.29594E+00 21924 0.428E+00 0.477E-01
DAV: 2 -0.560701451537E+03 -0.23154E-02 -0.61482E-02 24090 0.585E-01 0.271E-01
DAV: 3 -0.560700392953E+03 0.10586E-02 -0.29606E-03 25068 0.157E-01 0.134E-01
DAV: 4 -0.560700280244E+03 0.11271E-03 -0.11537E-03 26124 0.915E-02 0.459E-02
DAV: 5 -0.560700300880E+03 -0.20636E-04 -0.14292E-04 23598 0.347E-02 0.202E-02
DAV: 6 -0.560700314317E+03 -0.13437E-04 -0.28706E-05 22788 0.155E-02 0.868E-03
DAV: 7 -0.560700326306E+03 -0.11989E-04 -0.40773E-06 16968 0.698E-03 0.278E-03
DAV: 8 -0.560700335429E+03 -0.91232E-05 -0.28158E-06 17100 0.470E-03
312 F= -.56070034E+03 E0= -.56070446E+03 d E =-.148895E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560708042479E+03 -0.77162E-02 -0.73926E+00 21924 0.681E+00 0.754E-01
DAV: 2 -0.560713373545E+03 -0.53311E-02 -0.14931E-01 23610 0.928E-01 0.436E-01
DAV: 3 -0.560710764849E+03 0.26087E-02 -0.78669E-03 26868 0.265E-01 0.213E-01
DAV: 4 -0.560710489354E+03 0.27549E-03 -0.28430E-03 26136 0.147E-01 0.740E-02
DAV: 5 -0.560710545202E+03 -0.55848E-04 -0.34441E-04 23544 0.534E-02 0.340E-02
DAV: 6 -0.560710587142E+03 -0.41939E-04 -0.84310E-05 25128 0.260E-02 0.147E-02
DAV: 7 -0.560710619739E+03 -0.32597E-04 -0.10852E-05 18876 0.122E-02 0.484E-03
DAV: 8 -0.560710644160E+03 -0.24422E-04 -0.95497E-06 17868 0.847E-03 0.382E-03
DAV: 9 -0.560710654454E+03 -0.10293E-04 -0.18051E-06 17148 0.437E-03 0.220E-03
DAV: 10 -0.560710676954E+03 -0.22500E-04 -0.37705E-06 17034 0.553E-03 0.232E-03
DAV: 11 -0.560710689015E+03 -0.12061E-04 -0.13662E-06 18516 0.303E-03 0.145E-03
DAV: 12 -0.560710696191E+03 -0.71760E-05 -0.14832E-06 17472 0.312E-03
313 F= -.56071070E+03 E0= -.56071478E+03 d E =-.103608E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560711267273E+03 -0.57826E-03 -0.27170E+00 21924 0.413E+00 0.454E-01
DAV: 2 -0.560713224250E+03 -0.19570E-02 -0.54468E-02 23760 0.562E-01 0.265E-01
DAV: 3 -0.560712262073E+03 0.96218E-03 -0.29062E-03 26652 0.160E-01 0.127E-01
DAV: 4 -0.560712168245E+03 0.93828E-04 -0.10376E-03 26076 0.886E-02 0.440E-02
DAV: 5 -0.560712186327E+03 -0.18082E-04 -0.12381E-04 23640 0.321E-02 0.203E-02
DAV: 6 -0.560712198522E+03 -0.12195E-04 -0.29030E-05 22488 0.155E-02 0.877E-03
DAV: 7 -0.560712208828E+03 -0.10306E-04 -0.41209E-06 16476 0.738E-03 0.282E-03
DAV: 8 -0.560712216650E+03 -0.78217E-05 -0.33347E-06 17508 0.502E-03
314 F= -.56071222E+03 E0= -.56071628E+03 d E =-.118812E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560721358502E+03 -0.91497E-02 -0.92660E+00 21924 0.763E+00 0.883E-01
DAV: 2 -0.560726663136E+03 -0.53046E-02 -0.18761E-01 23544 0.104E+00 0.486E-01
DAV: 3 -0.560723290666E+03 0.33725E-02 -0.10390E-02 26160 0.299E-01 0.233E-01
DAV: 4 -0.560722945026E+03 0.34564E-03 -0.35960E-03 26316 0.166E-01 0.824E-02
DAV: 5 -0.560723016196E+03 -0.71169E-04 -0.42943E-04 23652 0.607E-02 0.377E-02
DAV: 6 -0.560723072348E+03 -0.56153E-04 -0.10593E-04 25704 0.300E-02 0.167E-02
DAV: 7 -0.560723118918E+03 -0.46569E-04 -0.13210E-05 18768 0.129E-02 0.546E-03
DAV: 8 -0.560723150603E+03 -0.31685E-04 -0.11653E-05 18360 0.940E-03 0.423E-03
DAV: 9 -0.560723164503E+03 -0.13901E-04 -0.22478E-06 17064 0.499E-03 0.249E-03
DAV: 10 -0.560723194035E+03 -0.29532E-04 -0.49664E-06 17172 0.636E-03 0.259E-03
DAV: 11 -0.560723208304E+03 -0.14269E-04 -0.18007E-06 18672 0.348E-03 0.166E-03
DAV: 12 -0.560723216760E+03 -0.84563E-05 -0.17560E-06 17796 0.342E-03
315 F= -.56072322E+03 E0= -.56072728E+03 d E =-.110001E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560723801405E+03 -0.59310E-03 -0.11724E+01 21924 0.859E+00 0.998E-01
DAV: 2 -0.560730634797E+03 -0.68334E-02 -0.23927E-01 24612 0.117E+00 0.548E-01
DAV: 3 -0.560726323116E+03 0.43117E-02 -0.12968E-02 25428 0.337E-01 0.264E-01
DAV: 4 -0.560725878713E+03 0.44440E-03 -0.46306E-03 26352 0.186E-01 0.939E-02
DAV: 5 -0.560725954742E+03 -0.76029E-04 -0.55105E-04 23688 0.684E-02 0.425E-02
DAV: 6 -0.560726011395E+03 -0.56652E-04 -0.12806E-04 25848 0.337E-02 0.186E-02
DAV: 7 -0.560726059253E+03 -0.47859E-04 -0.15770E-05 19524 0.139E-02 0.602E-03
DAV: 8 -0.560726091706E+03 -0.32452E-04 -0.12356E-05 18384 0.988E-03 0.437E-03
DAV: 9 -0.560726106500E+03 -0.14794E-04 -0.24506E-06 17028 0.514E-03 0.262E-03
DAV: 10 -0.560726137313E+03 -0.30813E-04 -0.50833E-06 17214 0.650E-03 0.250E-03
DAV: 11 -0.560726152568E+03 -0.15255E-04 -0.19779E-06 18660 0.366E-03 0.156E-03
DAV: 12 -0.560726161204E+03 -0.86362E-05 -0.17547E-06 17904 0.337E-03
316 F= -.56072616E+03 E0= -.56073023E+03 d E =-.139446E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560733015142E+03 -0.68626E-02 -0.89632E+00 21924 0.748E+00 0.871E-01
DAV: 2 -0.560738796013E+03 -0.57809E-02 -0.18741E-01 24588 0.103E+00 0.481E-01
DAV: 3 -0.560735536540E+03 0.32595E-02 -0.97373E-03 25440 0.286E-01 0.234E-01
DAV: 4 -0.560735190617E+03 0.34592E-03 -0.35639E-03 26220 0.162E-01 0.816E-02
DAV: 5 -0.560735244716E+03 -0.54099E-04 -0.41280E-04 23544 0.602E-02 0.367E-02
DAV: 6 -0.560735289183E+03 -0.44467E-04 -0.10392E-04 25068 0.296E-02 0.161E-02
DAV: 7 -0.560735324313E+03 -0.35130E-04 -0.11730E-05 18912 0.124E-02 0.540E-03
DAV: 8 -0.560735350650E+03 -0.26337E-04 -0.10665E-05 18132 0.889E-03 0.414E-03
DAV: 9 -0.560735361526E+03 -0.10876E-04 -0.18604E-06 17184 0.443E-03 0.242E-03
DAV: 10 -0.560735385573E+03 -0.24046E-04 -0.43542E-06 17208 0.563E-03 0.255E-03
DAV: 11 -0.560735396839E+03 -0.11266E-04 -0.12777E-06 18660 0.293E-03 0.152E-03
DAV: 12 -0.560735404366E+03 -0.75272E-05 -0.15434E-06 17628 0.310E-03
317 F= -.56073540E+03 E0= -.56073950E+03 d E =-.924316E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560736049212E+03 -0.65237E-03 -0.47458E+00 21924 0.544E+00 0.631E-01
DAV: 2 -0.560739089533E+03 -0.30403E-02 -0.98633E-02 24564 0.751E-01 0.350E-01
DAV: 3 -0.560737351126E+03 0.17384E-02 -0.51833E-03 25248 0.208E-01 0.169E-01
DAV: 4 -0.560737175197E+03 0.17593E-03 -0.18772E-03 26184 0.117E-01 0.587E-02
DAV: 5 -0.560737204633E+03 -0.29436E-04 -0.21608E-04 23616 0.436E-02 0.265E-02
DAV: 6 -0.560737227876E+03 -0.23242E-04 -0.53928E-05 24600 0.214E-02 0.117E-02
DAV: 7 -0.560737246753E+03 -0.18877E-04 -0.61071E-06 17688 0.899E-03 0.392E-03
DAV: 8 -0.560737261494E+03 -0.14742E-04 -0.57166E-06 17580 0.652E-03 0.303E-03
DAV: 9 -0.560737267599E+03 -0.61048E-05 -0.97236E-07 17256 0.322E-03
318 F= -.56073727E+03 E0= -.56074139E+03 d E =-.111064E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560744525172E+03 -0.72637E-02 -0.51547E+00 21924 0.571E+00 0.633E-01
DAV: 2 -0.560748486637E+03 -0.39615E-02 -0.10846E-01 22938 0.799E-01 0.370E-01
DAV: 3 -0.560746685263E+03 0.18014E-02 -0.56101E-03 26064 0.221E-01 0.187E-01
DAV: 4 -0.560746448339E+03 0.23692E-03 -0.22185E-03 25980 0.131E-01 0.641E-02
DAV: 5 -0.560746478783E+03 -0.30444E-04 -0.27034E-04 24324 0.509E-02 0.294E-02
DAV: 6 -0.560746511449E+03 -0.32667E-04 -0.78332E-05 24672 0.237E-02 0.137E-02
DAV: 7 -0.560746535923E+03 -0.24473E-04 -0.91546E-06 18996 0.113E-02 0.481E-03
DAV: 8 -0.560746557278E+03 -0.21356E-04 -0.83409E-06 17484 0.778E-03 0.377E-03
DAV: 9 -0.560746566525E+03 -0.92463E-05 -0.15825E-06 17184 0.411E-03
319 F= -.56074657E+03 E0= -.56075070E+03 d E =-.929893E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560747038074E+03 -0.48080E-03 -0.25362E+00 21924 0.400E+00 0.441E-01
DAV: 2 -0.560748975440E+03 -0.19374E-02 -0.53083E-02 22914 0.559E-01 0.260E-01
DAV: 3 -0.560748081659E+03 0.89378E-03 -0.27523E-03 25896 0.154E-01 0.130E-01
DAV: 4 -0.560747973098E+03 0.10856E-03 -0.10916E-03 25716 0.917E-02 0.444E-02
DAV: 5 -0.560747992181E+03 -0.19083E-04 -0.13174E-04 24252 0.357E-02 0.204E-02
DAV: 6 -0.560748011466E+03 -0.19285E-04 -0.37760E-05 23952 0.165E-02 0.956E-03
DAV: 7 -0.560748026612E+03 -0.15146E-04 -0.47109E-06 17508 0.794E-03 0.335E-03
DAV: 8 -0.560748039559E+03 -0.12947E-04 -0.41801E-06 17244 0.548E-03 0.264E-03
DAV: 9 -0.560748045450E+03 -0.58917E-05 -0.82445E-07 17184 0.300E-03
320 F= -.56074805E+03 E0= -.56075219E+03 d E =-.107779E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560754540403E+03 -0.65008E-02 -0.45986E+00 21924 0.538E+00 0.602E-01
DAV: 2 -0.560757939157E+03 -0.33988E-02 -0.96146E-02 23448 0.741E-01 0.342E-01
DAV: 3 -0.560756299677E+03 0.16395E-02 -0.47977E-03 26136 0.202E-01 0.172E-01
DAV: 4 -0.560756101712E+03 0.19796E-03 -0.19609E-03 26028 0.123E-01 0.594E-02
DAV: 5 -0.560756129552E+03 -0.27839E-04 -0.24084E-04 23628 0.472E-02 0.275E-02
DAV: 6 -0.560756156990E+03 -0.27439E-04 -0.72392E-05 24936 0.226E-02 0.130E-02
DAV: 7 -0.560756176607E+03 -0.19617E-04 -0.92188E-06 18720 0.111E-02 0.435E-03
DAV: 8 -0.560756192937E+03 -0.16330E-04 -0.79962E-06 17652 0.779E-03 0.366E-03
DAV: 9 -0.560756199947E+03 -0.70102E-05 -0.15244E-06 17112 0.399E-03
321 F= -.56075620E+03 E0= -.56076035E+03 d E =-.815450E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560754975198E+03 0.12177E-02 -0.99111E+00 21924 0.790E+00 0.891E-01
DAV: 2 -0.560762354388E+03 -0.73792E-02 -0.20954E-01 23478 0.109E+00 0.502E-01
DAV: 3 -0.560758838355E+03 0.35160E-02 -0.10301E-02 26148 0.297E-01 0.256E-01
DAV: 4 -0.560758378400E+03 0.45996E-03 -0.43016E-03 26112 0.182E-01 0.889E-02
DAV: 5 -0.560758436710E+03 -0.58310E-04 -0.53690E-04 23568 0.702E-02 0.412E-02
DAV: 6 -0.560758496303E+03 -0.59593E-04 -0.15923E-04 24792 0.338E-02 0.192E-02
DAV: 7 -0.560758537711E+03 -0.41407E-04 -0.20763E-05 20520 0.163E-02 0.635E-03
DAV: 8 -0.560758571027E+03 -0.33316E-04 -0.15541E-05 20496 0.107E-02 0.530E-03
DAV: 9 -0.560758585724E+03 -0.14697E-04 -0.29774E-06 17124 0.582E-03 0.272E-03
DAV: 10 -0.560758614565E+03 -0.28842E-04 -0.60196E-06 17256 0.686E-03 0.333E-03
DAV: 11 -0.560758629346E+03 -0.14781E-04 -0.18467E-06 18624 0.368E-03 0.197E-03
DAV: 12 -0.560758639323E+03 -0.99767E-05 -0.23335E-06 17568 0.390E-03
322 F= -.56075864E+03 E0= -.56076279E+03 d E =-.105939E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560763873075E+03 -0.52437E-02 -0.64884E+00 21924 0.640E+00 0.714E-01
DAV: 2 -0.560768692618E+03 -0.48195E-02 -0.13291E-01 23712 0.869E-01 0.406E-01
DAV: 3 -0.560766429031E+03 0.22636E-02 -0.68206E-03 26052 0.243E-01 0.197E-01
DAV: 4 -0.560766149879E+03 0.27915E-03 -0.24110E-03 26124 0.141E-01 0.665E-02
DAV: 5 -0.560766186551E+03 -0.36672E-04 -0.31245E-04 23796 0.506E-02 0.319E-02
DAV: 6 -0.560766213968E+03 -0.27417E-04 -0.86263E-05 24492 0.267E-02 0.150E-02
DAV: 7 -0.560766236748E+03 -0.22780E-04 -0.11468E-05 18876 0.127E-02 0.527E-03
DAV: 8 -0.560766255858E+03 -0.19110E-04 -0.11685E-05 17724 0.937E-03 0.431E-03
DAV: 9 -0.560766263346E+03 -0.74884E-05 -0.18533E-06 17160 0.458E-03
323 F= -.56076626E+03 E0= -.56077042E+03 d E =-.762402E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560764275519E+03 0.19803E-02 -0.10906E+01 21924 0.830E+00 0.931E-01
DAV: 2 -0.560772362382E+03 -0.80869E-02 -0.22494E-01 23400 0.113E+00 0.527E-01
DAV: 3 -0.560768541107E+03 0.38213E-02 -0.11351E-02 26088 0.315E-01 0.258E-01
DAV: 4 -0.560768056587E+03 0.48452E-03 -0.41323E-03 26172 0.184E-01 0.873E-02
DAV: 5 -0.560768129021E+03 -0.72434E-04 -0.53756E-04 23568 0.664E-02 0.419E-02
DAV: 6 -0.560768188656E+03 -0.59635E-04 -0.14960E-04 24468 0.350E-02 0.195E-02
DAV: 7 -0.560768235366E+03 -0.46711E-04 -0.20672E-05 19992 0.167E-02 0.681E-03
DAV: 8 -0.560768272041E+03 -0.36674E-04 -0.20096E-05 22488 0.120E-02 0.600E-03
DAV: 9 -0.560768285312E+03 -0.13271E-04 -0.28694E-06 17184 0.601E-03 0.307E-03
DAV: 10 -0.560768319582E+03 -0.34270E-04 -0.70713E-06 17172 0.709E-03 0.321E-03
DAV: 11 -0.560768337662E+03 -0.18080E-04 -0.21467E-06 18588 0.363E-03 0.218E-03
DAV: 12 -0.560768348913E+03 -0.11251E-04 -0.25202E-06 17772 0.420E-03 0.130E-03
DAV: 13 -0.560768352687E+03 -0.37745E-05 -0.65876E-07 17304 0.194E-03
324 F= -.56076835E+03 E0= -.56077252E+03 d E =-.971336E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560774966648E+03 -0.66177E-02 -0.65234E+00 21924 0.645E+00 0.724E-01
DAV: 2 -0.560779673338E+03 -0.47067E-02 -0.13382E-01 23172 0.882E-01 0.415E-01
DAV: 3 -0.560777318799E+03 0.23545E-02 -0.75134E-03 26292 0.257E-01 0.196E-01
DAV: 4 -0.560777054952E+03 0.26385E-03 -0.23290E-03 26232 0.139E-01 0.692E-02
DAV: 5 -0.560777094612E+03 -0.39660E-04 -0.30154E-04 23700 0.492E-02 0.320E-02
DAV: 6 -0.560777124133E+03 -0.29521E-04 -0.77612E-05 24396 0.255E-02 0.144E-02
DAV: 7 -0.560777148734E+03 -0.24601E-04 -0.10485E-05 18960 0.121E-02 0.512E-03
DAV: 8 -0.560777169019E+03 -0.20285E-04 -0.10258E-05 17460 0.861E-03 0.397E-03
DAV: 9 -0.560777177559E+03 -0.85400E-05 -0.16492E-06 17256 0.419E-03
325 F= -.56077718E+03 E0= -.56078135E+03 d E =-.882487E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560777515803E+03 -0.34678E-03 -0.99866E-01 21924 0.253E+00 0.280E-01
DAV: 2 -0.560778224234E+03 -0.70843E-03 -0.20254E-02 22488 0.343E-01 0.162E-01
DAV: 3 -0.560777855682E+03 0.36855E-03 -0.11432E-03 25416 0.100E-01 0.756E-02
DAV: 4 -0.560777824969E+03 0.30713E-04 -0.35323E-04 25188 0.538E-02 0.264E-02
DAV: 5 -0.560777837995E+03 -0.13026E-04 -0.44726E-05 22872 0.191E-02 0.122E-02
DAV: 6 -0.560777847924E+03 -0.99286E-05 -0.99631E-06 16548 0.978E-03
326 F= -.56077785E+03 E0= -.56078203E+03 d E =-.949524E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560785832940E+03 -0.79949E-02 -0.57321E+00 21924 0.602E+00 0.685E-01
DAV: 2 -0.560790115461E+03 -0.42825E-02 -0.11936E-01 23700 0.824E-01 0.383E-01
DAV: 3 -0.560788040172E+03 0.20753E-02 -0.62533E-03 26208 0.228E-01 0.186E-01
DAV: 4 -0.560787819162E+03 0.22101E-03 -0.20960E-03 25968 0.128E-01 0.643E-02
DAV: 5 -0.560787860100E+03 -0.40938E-04 -0.25518E-04 23628 0.461E-02 0.287E-02
DAV: 6 -0.560787890137E+03 -0.30037E-04 -0.66131E-05 25212 0.232E-02 0.130E-02
DAV: 7 -0.560787912222E+03 -0.22086E-04 -0.85405E-06 18288 0.108E-02 0.456E-03
DAV: 8 -0.560787930504E+03 -0.18281E-04 -0.85321E-06 17808 0.783E-03 0.371E-03
DAV: 9 -0.560787938121E+03 -0.76173E-05 -0.14615E-06 17196 0.403E-03
327 F= -.56078794E+03 E0= -.56079212E+03 d E =-.100902E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560788623869E+03 -0.69337E-03 -0.13755E+00 21924 0.295E+00 0.332E-01
DAV: 2 -0.560789648493E+03 -0.10246E-02 -0.28400E-02 23580 0.402E-01 0.188E-01
DAV: 3 -0.560789145648E+03 0.50284E-03 -0.14919E-03 25776 0.111E-01 0.901E-02
DAV: 4 -0.560789099349E+03 0.46299E-04 -0.50096E-04 25188 0.625E-02 0.307E-02
DAV: 5 -0.560789112709E+03 -0.13360E-04 -0.60307E-05 23556 0.225E-02 0.138E-02
DAV: 6 -0.560789122294E+03 -0.95851E-05 -0.13752E-05 18216 0.112E-02
328 F= -.56078912E+03 E0= -.56079331E+03 d E =-.112744E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560794539884E+03 -0.54272E-02 -0.45292E+00 21924 0.537E+00 0.579E-01
DAV: 2 -0.560798304507E+03 -0.37646E-02 -0.90928E-02 23664 0.728E-01 0.341E-01
DAV: 3 -0.560796806003E+03 0.14985E-02 -0.44763E-03 26364 0.202E-01 0.169E-01
DAV: 4 -0.560796625786E+03 0.18022E-03 -0.17701E-03 25728 0.118E-01 0.554E-02
DAV: 5 -0.560796653811E+03 -0.28025E-04 -0.22095E-04 23628 0.446E-02 0.263E-02
DAV: 6 -0.560796676207E+03 -0.22396E-04 -0.59695E-05 25200 0.213E-02 0.122E-02
DAV: 7 -0.560796693288E+03 -0.17082E-04 -0.72083E-06 17952 0.992E-03 0.424E-03
DAV: 8 -0.560796707677E+03 -0.14389E-04 -0.67948E-06 17868 0.713E-03 0.327E-03
DAV: 9 -0.560796713349E+03 -0.56717E-05 -0.12334E-06 17184 0.374E-03
329 F= -.56079671E+03 E0= -.56080090E+03 d E =-.759106E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560796975410E+03 -0.26773E-03 -0.55457E-01 21936 0.188E+00 0.200E-01
DAV: 2 -0.560797433877E+03 -0.45847E-03 -0.11050E-02 23928 0.254E-01 0.119E-01
DAV: 3 -0.560797249584E+03 0.18429E-03 -0.54050E-04 26340 0.700E-02 0.586E-02
DAV: 4 -0.560797233300E+03 0.16284E-04 -0.21856E-04 24408 0.413E-02 0.189E-02
DAV: 5 -0.560797239522E+03 -0.62225E-05 -0.26262E-05 22224 0.157E-02
330 F= -.56079724E+03 E0= -.56080143E+03 d E =-.811723E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560801695411E+03 -0.44621E-02 -0.40282E+00 21924 0.507E+00 0.540E-01
DAV: 2 -0.560805593022E+03 -0.38976E-02 -0.83332E-02 23094 0.682E-01 0.314E-01
DAV: 3 -0.560804336127E+03 0.12569E-02 -0.36180E-03 26412 0.182E-01 0.159E-01
DAV: 4 -0.560804186259E+03 0.14987E-03 -0.15618E-03 25776 0.109E-01 0.530E-02
DAV: 5 -0.560804210123E+03 -0.23864E-04 -0.19856E-04 23544 0.431E-02 0.245E-02
DAV: 6 -0.560804228669E+03 -0.18546E-04 -0.49730E-05 24960 0.193E-02 0.108E-02
DAV: 7 -0.560804242831E+03 -0.14162E-04 -0.56989E-06 17436 0.881E-03 0.363E-03
DAV: 8 -0.560804254354E+03 -0.11523E-04 -0.47544E-06 17400 0.602E-03 0.277E-03
DAV: 9 -0.560804259433E+03 -0.50792E-05 -0.99116E-07 17484 0.328E-03
331 F= -.56080426E+03 E0= -.56080845E+03 d E =-.701991E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560804405974E+03 -0.15162E-03 -0.10284E+00 21936 0.256E+00 0.271E-01
DAV: 2 -0.560805388127E+03 -0.98215E-03 -0.21086E-02 22950 0.343E-01 0.158E-01
DAV: 3 -0.560805064240E+03 0.32389E-03 -0.92337E-04 26220 0.919E-02 0.791E-02
DAV: 4 -0.560805030562E+03 0.33677E-04 -0.39519E-04 24792 0.547E-02 0.262E-02
DAV: 5 -0.560805038773E+03 -0.82102E-05 -0.49910E-05 23568 0.216E-02
332 F= -.56080504E+03 E0= -.56080923E+03 d E =-.779925E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560808049609E+03 -0.30190E-02 -0.38679E+00 21924 0.496E+00 0.507E-01
DAV: 2 -0.560812302853E+03 -0.42532E-02 -0.79598E-02 23814 0.665E-01 0.307E-01
DAV: 3 -0.560811151444E+03 0.11514E-02 -0.32499E-03 26376 0.175E-01 0.157E-01
DAV: 4 -0.560810998368E+03 0.15308E-03 -0.13885E-03 25488 0.105E-01 0.492E-02
DAV: 5 -0.560811021527E+03 -0.23159E-04 -0.18444E-04 24132 0.388E-02 0.233E-02
DAV: 6 -0.560811036054E+03 -0.14527E-04 -0.48272E-05 24960 0.191E-02 0.108E-02
DAV: 7 -0.560811045828E+03 -0.97744E-05 -0.65766E-06 18396 0.100E-02
333 F= -.56081105E+03 E0= -.56081526E+03 d E =-.600706E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560811110220E+03 -0.74167E-04 -0.41203E-01 21936 0.162E+00 0.165E-01
DAV: 2 -0.560811543006E+03 -0.43279E-03 -0.84001E-03 24540 0.217E-01 0.100E-01
DAV: 3 -0.560811418309E+03 0.12470E-03 -0.36820E-04 26544 0.581E-02 0.502E-02
DAV: 4 -0.560811407803E+03 0.10507E-04 -0.14186E-04 24072 0.340E-02 0.160E-02
DAV: 5 -0.560811414210E+03 -0.64075E-05 -0.18221E-05 20520 0.123E-02
334 F= -.56081141E+03 E0= -.56081563E+03 d E =-.637544E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560815442730E+03 -0.40349E-02 -0.28730E+00 21924 0.430E+00 0.442E-01
DAV: 2 -0.560818314546E+03 -0.28718E-02 -0.58202E-02 23694 0.577E-01 0.263E-01
DAV: 3 -0.560817441081E+03 0.87346E-03 -0.25559E-03 26412 0.153E-01 0.132E-01
DAV: 4 -0.560817340748E+03 0.10033E-03 -0.10754E-03 25524 0.920E-02 0.436E-02
DAV: 5 -0.560817357505E+03 -0.16757E-04 -0.13605E-04 23496 0.352E-02 0.205E-02
DAV: 6 -0.560817371347E+03 -0.13843E-04 -0.39716E-05 24528 0.169E-02 0.986E-03
DAV: 7 -0.560817381034E+03 -0.96872E-05 -0.52031E-06 16920 0.867E-03
335 F= -.56081738E+03 E0= -.56082161E+03 d E =-.596682E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560817664971E+03 -0.29362E-03 -0.16290E+00 21924 0.324E+00 0.333E-01
DAV: 2 -0.560819244758E+03 -0.15798E-02 -0.32868E-02 23778 0.435E-01 0.198E-01
DAV: 3 -0.560818742353E+03 0.50241E-03 -0.14972E-03 26436 0.116E-01 0.987E-02
DAV: 4 -0.560818689660E+03 0.52693E-04 -0.59623E-04 25092 0.688E-02 0.328E-02
DAV: 5 -0.560818703345E+03 -0.13684E-04 -0.74911E-05 23544 0.260E-02 0.154E-02
DAV: 6 -0.560818714243E+03 -0.10898E-04 -0.20990E-05 20880 0.129E-02 0.724E-03
DAV: 7 -0.560818722862E+03 -0.86194E-05 -0.35002E-06 16716 0.659E-03
336 F= -.56081872E+03 E0= -.56082296E+03 d E =-.730865E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560822879809E+03 -0.41656E-02 -0.21027E+00 21924 0.367E+00 0.385E-01
DAV: 2 -0.560824950962E+03 -0.20712E-02 -0.42774E-02 23868 0.492E-01 0.224E-01
DAV: 3 -0.560824336531E+03 0.61443E-03 -0.18266E-03 26232 0.127E-01 0.112E-01
DAV: 4 -0.560824263922E+03 0.72610E-04 -0.70907E-04 25332 0.759E-02 0.350E-02
DAV: 5 -0.560824279185E+03 -0.15263E-04 -0.92361E-05 24000 0.282E-02 0.164E-02
DAV: 6 -0.560824289639E+03 -0.10454E-04 -0.24310E-05 21828 0.141E-02 0.796E-03
DAV: 7 -0.560824298429E+03 -0.87903E-05 -0.37726E-06 16716 0.686E-03
337 F= -.56082430E+03 E0= -.56082853E+03 d E =-.557557E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560824100775E+03 0.18886E-03 -0.52042E+00 21924 0.578E+00 0.610E-01
DAV: 2 -0.560829255333E+03 -0.51546E-02 -0.10656E-01 24228 0.775E-01 0.353E-01
DAV: 3 -0.560827737380E+03 0.15180E-02 -0.44848E-03 26340 0.200E-01 0.178E-01
DAV: 4 -0.560827539187E+03 0.19819E-03 -0.17838E-03 25764 0.120E-01 0.557E-02
DAV: 5 -0.560827568792E+03 -0.29605E-04 -0.23542E-04 23616 0.449E-02 0.262E-02
DAV: 6 -0.560827589698E+03 -0.20905E-04 -0.63771E-05 24828 0.224E-02 0.128E-02
DAV: 7 -0.560827605833E+03 -0.16136E-04 -0.81524E-06 18108 0.109E-02 0.443E-03
DAV: 8 -0.560827619841E+03 -0.14008E-04 -0.81265E-06 17496 0.784E-03 0.372E-03
DAV: 9 -0.560827624938E+03 -0.50961E-05 -0.13480E-06 17196 0.395E-03
338 F= -.56082762E+03 E0= -.56083184E+03 d E =-.890208E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560830888490E+03 -0.32686E-02 -0.29779E+00 21924 0.439E+00 0.454E-01
DAV: 2 -0.560833971190E+03 -0.30827E-02 -0.61339E-02 23592 0.593E-01 0.272E-01
DAV: 3 -0.560833080014E+03 0.89118E-03 -0.28260E-03 26388 0.162E-01 0.137E-01
DAV: 4 -0.560832956652E+03 0.12336E-03 -0.10477E-03 25668 0.943E-02 0.444E-02
DAV: 5 -0.560832973480E+03 -0.16828E-04 -0.15217E-04 24216 0.369E-02 0.201E-02
DAV: 6 -0.560832985070E+03 -0.11591E-04 -0.34088E-05 24252 0.162E-02 0.100E-02
DAV: 7 -0.560832995715E+03 -0.10645E-04 -0.42667E-06 16680 0.753E-03 0.337E-03
DAV: 8 -0.560833004976E+03 -0.92612E-05 -0.35630E-06 17568 0.531E-03
339 F= -.56083300E+03 E0= -.56083722E+03 d E =-.538004E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560833042565E+03 -0.46850E-04 -0.85175E-01 21924 0.235E+00 0.242E-01
DAV: 2 -0.560833905277E+03 -0.86271E-03 -0.17464E-02 23310 0.317E-01 0.146E-01
DAV: 3 -0.560833650180E+03 0.25510E-03 -0.82405E-04 26436 0.870E-02 0.729E-02
DAV: 4 -0.560833620205E+03 0.29975E-04 -0.29774E-04 24744 0.506E-02 0.237E-02
DAV: 5 -0.560833628171E+03 -0.79653E-05 -0.42969E-05 23040 0.198E-02
340 F= -.56083363E+03 E0= -.56083784E+03 d E =-.600323E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560836568742E+03 -0.29485E-02 -0.32502E+00 21924 0.457E+00 0.476E-01
DAV: 2 -0.560840089615E+03 -0.35209E-02 -0.68249E-02 23832 0.615E-01 0.278E-01
DAV: 3 -0.560839136225E+03 0.95339E-03 -0.26865E-03 25656 0.158E-01 0.145E-01
DAV: 4 -0.560838996270E+03 0.13996E-03 -0.12480E-03 25656 0.970E-02 0.455E-02
DAV: 5 -0.560839015097E+03 -0.18827E-04 -0.17168E-04 24480 0.398E-02 0.211E-02
DAV: 6 -0.560839030712E+03 -0.15615E-04 -0.39651E-05 24528 0.171E-02 0.990E-03
DAV: 7 -0.560839044101E+03 -0.13389E-04 -0.49226E-06 17448 0.808E-03 0.339E-03
DAV: 8 -0.560839055183E+03 -0.11082E-04 -0.34231E-06 17448 0.525E-03 0.237E-03
DAV: 9 -0.560839061375E+03 -0.61928E-05 -0.90142E-07 17088 0.328E-03
341 F= -.56083906E+03 E0= -.56084329E+03 d E =-.543320E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560838921864E+03 0.13332E-03 -0.17582E+00 21924 0.336E+00 0.349E-01
DAV: 2 -0.560840806098E+03 -0.18842E-02 -0.36742E-02 23658 0.452E-01 0.204E-01
DAV: 3 -0.560840287486E+03 0.51861E-03 -0.14603E-03 25488 0.116E-01 0.106E-01
DAV: 4 -0.560840213080E+03 0.74406E-04 -0.66821E-04 25464 0.708E-02 0.331E-02
DAV: 5 -0.560840222706E+03 -0.96267E-05 -0.91320E-05 24312 0.289E-02
342 F= -.56084022E+03 E0= -.56084447E+03 d E =-.659454E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560843727978E+03 -0.35149E-02 -0.28260E+00 21924 0.425E+00 0.440E-01
DAV: 2 -0.560846827268E+03 -0.30993E-02 -0.58273E-02 23952 0.571E-01 0.262E-01
DAV: 3 -0.560846019322E+03 0.80795E-03 -0.22882E-03 25704 0.150E-01 0.135E-01
DAV: 4 -0.560845912203E+03 0.10712E-03 -0.10603E-03 25620 0.906E-02 0.415E-02
DAV: 5 -0.560845929794E+03 -0.17590E-04 -0.13879E-04 23784 0.348E-02 0.197E-02
DAV: 6 -0.560845943801E+03 -0.14007E-04 -0.34810E-05 23196 0.164E-02 0.906E-03
DAV: 7 -0.560845955406E+03 -0.11605E-04 -0.46879E-06 17256 0.786E-03 0.313E-03
DAV: 8 -0.560845965315E+03 -0.99093E-05 -0.36752E-06 17568 0.523E-03
343 F= -.56084597E+03 E0= -.56085022E+03 d E =-.574261E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560845595353E+03 0.36005E-03 -0.31556E+00 21924 0.449E+00 0.466E-01
DAV: 2 -0.560848992113E+03 -0.33968E-02 -0.65021E-02 23988 0.604E-01 0.276E-01
DAV: 3 -0.560848082386E+03 0.90973E-03 -0.26018E-03 25680 0.160E-01 0.143E-01
DAV: 4 -0.560847954880E+03 0.12751E-03 -0.11754E-03 25584 0.956E-02 0.440E-02
DAV: 5 -0.560847971939E+03 -0.17059E-04 -0.15430E-04 23652 0.364E-02 0.207E-02
DAV: 6 -0.560847985013E+03 -0.13074E-04 -0.38493E-05 24012 0.172E-02 0.960E-03
DAV: 7 -0.560847995966E+03 -0.10953E-04 -0.49290E-06 17388 0.831E-03 0.330E-03
DAV: 8 -0.560848005776E+03 -0.98097E-05 -0.42113E-06 17400 0.561E-03
344 F= -.56084801E+03 E0= -.56085228E+03 d E =-.778307E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560851425320E+03 -0.34294E-02 -0.29654E+00 21924 0.435E+00 0.469E-01
DAV: 2 -0.560854441016E+03 -0.30157E-02 -0.62874E-02 23808 0.596E-01 0.275E-01
DAV: 3 -0.560853507656E+03 0.93336E-03 -0.26622E-03 26484 0.161E-01 0.141E-01
DAV: 4 -0.560853381181E+03 0.12647E-03 -0.11844E-03 25776 0.944E-02 0.450E-02
DAV: 5 -0.560853398262E+03 -0.17081E-04 -0.15401E-04 23448 0.369E-02 0.208E-02
DAV: 6 -0.560853412206E+03 -0.13945E-04 -0.34313E-05 23124 0.164E-02 0.948E-03
DAV: 7 -0.560853424739E+03 -0.12532E-04 -0.47751E-06 17496 0.757E-03 0.316E-03
DAV: 8 -0.560853435506E+03 -0.10768E-04 -0.32109E-06 17412 0.478E-03 0.220E-03
DAV: 9 -0.560853441390E+03 -0.58832E-05 -0.70836E-07 17364 0.277E-03
345 F= -.56085344E+03 E0= -.56085770E+03 d E =-.543561E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560853426482E+03 0.90245E-05 -0.23768E+00 21924 0.389E+00 0.419E-01
DAV: 2 -0.560855854256E+03 -0.24278E-02 -0.50327E-02 23634 0.533E-01 0.246E-01
DAV: 3 -0.560855105907E+03 0.74835E-03 -0.21147E-03 26172 0.143E-01 0.126E-01
DAV: 4 -0.560855004988E+03 0.10092E-03 -0.95121E-04 25776 0.844E-02 0.401E-02
DAV: 5 -0.560855017548E+03 -0.12560E-04 -0.12381E-04 23568 0.331E-02 0.185E-02
DAV: 6 -0.560855027653E+03 -0.10105E-04 -0.26504E-05 21552 0.146E-02 0.840E-03
DAV: 7 -0.560855037131E+03 -0.94784E-05 -0.41247E-06 16728 0.678E-03
346 F= -.56085504E+03 E0= -.56085929E+03 d E =-.703136E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560858525631E+03 -0.34980E-02 -0.28153E+00 21924 0.422E+00 0.456E-01
DAV: 2 -0.560861535065E+03 -0.30094E-02 -0.60044E-02 23784 0.575E-01 0.267E-01
DAV: 3 -0.560860683848E+03 0.85122E-03 -0.24551E-03 25920 0.152E-01 0.138E-01
DAV: 4 -0.560860569486E+03 0.11436E-03 -0.10954E-03 25260 0.910E-02 0.431E-02
DAV: 5 -0.560860585438E+03 -0.15952E-04 -0.14313E-04 23916 0.352E-02 0.195E-02
DAV: 6 -0.560860596802E+03 -0.11363E-04 -0.29696E-05 21888 0.156E-02 0.913E-03
DAV: 7 -0.560860607853E+03 -0.11051E-04 -0.49514E-06 17484 0.749E-03 0.279E-03
DAV: 8 -0.560860615831E+03 -0.79779E-05 -0.27825E-06 17088 0.462E-03
347 F= -.56086062E+03 E0= -.56086488E+03 d E =-.557870E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560859912122E+03 0.69573E-03 -0.39327E+00 21924 0.498E+00 0.541E-01
DAV: 2 -0.560864133936E+03 -0.42218E-02 -0.84174E-02 23676 0.681E-01 0.316E-01
DAV: 3 -0.560862945070E+03 0.11889E-02 -0.34097E-03 25968 0.180E-01 0.164E-01
DAV: 4 -0.560862777548E+03 0.16752E-03 -0.15500E-03 25404 0.108E-01 0.512E-02
DAV: 5 -0.560862795830E+03 -0.18282E-04 -0.20327E-04 23556 0.420E-02 0.232E-02
DAV: 6 -0.560862809304E+03 -0.13474E-04 -0.44331E-05 24864 0.186E-02 0.109E-02
DAV: 7 -0.560862821489E+03 -0.12185E-04 -0.57432E-06 17532 0.879E-03 0.345E-03
DAV: 8 -0.560862831207E+03 -0.97186E-05 -0.41754E-06 17580 0.563E-03
348 F= -.56086283E+03 E0= -.56086710E+03 d E =-.779408E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560866372567E+03 -0.35511E-02 -0.26513E+00 21924 0.410E+00 0.434E-01
DAV: 2 -0.560869130088E+03 -0.27575E-02 -0.54850E-02 23688 0.552E-01 0.259E-01
DAV: 3 -0.560868341840E+03 0.78825E-03 -0.23284E-03 26400 0.151E-01 0.131E-01
DAV: 4 -0.560868241161E+03 0.10068E-03 -0.96613E-04 25500 0.870E-02 0.416E-02
DAV: 5 -0.560868256059E+03 -0.14898E-04 -0.12860E-04 23460 0.335E-02 0.187E-02
DAV: 6 -0.560868266548E+03 -0.10489E-04 -0.27605E-05 21588 0.152E-02 0.878E-03
DAV: 7 -0.560868276494E+03 -0.99457E-05 -0.42272E-06 17088 0.695E-03
349 F= -.56086828E+03 E0= -.56087255E+03 d E =-.544529E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560865741478E+03 0.25251E-02 -0.89384E+00 21924 0.753E+00 0.804E-01
DAV: 2 -0.560875063235E+03 -0.93218E-02 -0.18643E-01 23622 0.102E+00 0.475E-01
DAV: 3 -0.560872413952E+03 0.26493E-02 -0.78614E-03 26400 0.278E-01 0.243E-01
DAV: 4 -0.560872052394E+03 0.36156E-03 -0.32855E-03 25932 0.161E-01 0.779E-02
DAV: 5 -0.560872090105E+03 -0.37710E-04 -0.44100E-04 23760 0.622E-02 0.348E-02
DAV: 6 -0.560872116725E+03 -0.26620E-04 -0.99284E-05 24852 0.280E-02 0.163E-02
DAV: 7 -0.560872139621E+03 -0.22896E-04 -0.11627E-05 18708 0.124E-02 0.533E-03
DAV: 8 -0.560872159974E+03 -0.20353E-04 -0.92303E-06 18000 0.829E-03 0.387E-03
DAV: 9 -0.560872169725E+03 -0.97514E-05 -0.19639E-06 17136 0.484E-03
350 F= -.56087217E+03 E0= -.56087647E+03 d E =-.933852E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560875315127E+03 -0.31552E-02 -0.47387E+00 21924 0.549E+00 0.565E-01
DAV: 2 -0.560880529478E+03 -0.52144E-02 -0.96911E-02 23658 0.727E-01 0.341E-01
DAV: 3 -0.560879180104E+03 0.13494E-02 -0.36079E-03 26412 0.192E-01 0.176E-01
DAV: 4 -0.560879003095E+03 0.17701E-03 -0.17644E-03 25344 0.114E-01 0.542E-02
DAV: 5 -0.560879024443E+03 -0.21349E-04 -0.23548E-04 23640 0.458E-02 0.249E-02
DAV: 6 -0.560879040862E+03 -0.16419E-04 -0.51750E-05 25356 0.197E-02 0.112E-02
DAV: 7 -0.560879054112E+03 -0.13250E-04 -0.56367E-06 17388 0.883E-03 0.367E-03
DAV: 8 -0.560879065566E+03 -0.11454E-04 -0.43423E-06 17508 0.560E-03 0.271E-03
DAV: 9 -0.560879070755E+03 -0.51887E-05 -0.92151E-07 17220 0.326E-03
351 F= -.56087907E+03 E0= -.56088337E+03 d E =-.690103E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560871813189E+03 0.72524E-02 -0.12893E+01 21924 0.905E+00 0.941E-01
DAV: 2 -0.560886076391E+03 -0.14263E-01 -0.26669E-01 23622 0.120E+00 0.563E-01
DAV: 3 -0.560882434874E+03 0.36415E-02 -0.98426E-03 26436 0.318E-01 0.295E-01
DAV: 4 -0.560881923042E+03 0.51183E-03 -0.48503E-03 25908 0.190E-01 0.914E-02
DAV: 5 -0.560881964601E+03 -0.41559E-04 -0.65408E-04 23724 0.764E-02 0.416E-02
DAV: 6 -0.560881996900E+03 -0.32299E-04 -0.14348E-04 25440 0.329E-02 0.185E-02
DAV: 7 -0.560882020865E+03 -0.23964E-04 -0.15434E-05 19452 0.145E-02 0.605E-03
DAV: 8 -0.560882041927E+03 -0.21062E-04 -0.10373E-05 17940 0.879E-03 0.423E-03
DAV: 9 -0.560882051961E+03 -0.10034E-04 -0.22794E-06 17064 0.520E-03 0.225E-03
DAV: 10 -0.560882071406E+03 -0.19445E-04 -0.38934E-06 17172 0.585E-03 0.282E-03
DAV: 11 -0.560882080387E+03 -0.89813E-05 -0.12266E-06 17952 0.309E-03
352 F= -.56088208E+03 E0= -.56088638E+03 d E =-.991066E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560884126462E+03 -0.20551E-02 -0.38957E+00 21924 0.496E+00 0.500E-01
DAV: 2 -0.560888614624E+03 -0.44882E-02 -0.78303E-02 23370 0.649E-01 0.305E-01
DAV: 3 -0.560887577706E+03 0.10369E-02 -0.27809E-03 25980 0.168E-01 0.158E-01
DAV: 4 -0.560887438883E+03 0.13882E-03 -0.13255E-03 25656 0.100E-01 0.459E-02
DAV: 5 -0.560887454706E+03 -0.15823E-04 -0.18591E-04 23580 0.395E-02 0.211E-02
DAV: 6 -0.560887463373E+03 -0.86664E-05 -0.34868E-05 23988 0.168E-02
353 F= -.56088746E+03 E0= -.56089178E+03 d E =-.538299E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560874844205E+03 0.12611E-01 -0.20502E+01 21924 0.114E+01 0.117E+00
DAV: 2 -0.560898771390E+03 -0.23927E-01 -0.42038E-01 23292 0.150E+00 0.702E-01
DAV: 3 -0.560893333937E+03 0.54375E-02 -0.14568E-02 26412 0.387E-01 0.371E-01
DAV: 4 -0.560892521832E+03 0.81210E-03 -0.72011E-03 25968 0.234E-01 0.110E-01
DAV: 5 -0.560892600730E+03 -0.78897E-04 -0.10251E-03 23580 0.932E-02 0.500E-02
DAV: 6 -0.560892647190E+03 -0.46460E-04 -0.19799E-04 25608 0.394E-02 0.227E-02
DAV: 7 -0.560892684116E+03 -0.36926E-04 -0.24983E-05 22512 0.172E-02 0.719E-03
DAV: 8 -0.560892712509E+03 -0.28394E-04 -0.11329E-05 18528 0.943E-03 0.438E-03
DAV: 9 -0.560892729234E+03 -0.16724E-04 -0.30112E-06 17628 0.570E-03 0.238E-03
DAV: 10 -0.560892753793E+03 -0.24559E-04 -0.38145E-06 17568 0.536E-03 0.258E-03
DAV: 11 -0.560892765715E+03 -0.11922E-04 -0.13440E-06 18432 0.301E-03 0.139E-03
DAV: 12 -0.560892777868E+03 -0.12153E-04 -0.22709E-06 17496 0.354E-03 0.163E-03
DAV: 13 -0.560892781826E+03 -0.39581E-05 -0.60569E-07 17280 0.202E-03
354 F= -.56089278E+03 E0= -.56089715E+03 d E =-.107014E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560897390820E+03 -0.46130E-02 -0.46102E+00 21924 0.543E+00 0.552E-01
DAV: 2 -0.560902800212E+03 -0.54094E-02 -0.95384E-02 24006 0.724E-01 0.333E-01
DAV: 3 -0.560901559976E+03 0.12402E-02 -0.35822E-03 26352 0.184E-01 0.175E-01
DAV: 4 -0.560901371933E+03 0.18804E-03 -0.15667E-03 25956 0.108E-01 0.529E-02
DAV: 5 -0.560901392224E+03 -0.20291E-04 -0.23324E-04 23868 0.440E-02 0.229E-02
DAV: 6 -0.560901401757E+03 -0.95330E-05 -0.34960E-05 23004 0.173E-02
355 F= -.56090140E+03 E0= -.56090580E+03 d E =-.861993E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560892028026E+03 0.93642E-02 -0.14025E+01 21924 0.947E+00 0.975E-01
DAV: 2 -0.560908594830E+03 -0.16567E-01 -0.29416E-01 23586 0.127E+00 0.582E-01
DAV: 3 -0.560904823810E+03 0.37710E-02 -0.10929E-02 26748 0.323E-01 0.310E-01
DAV: 4 -0.560904232213E+03 0.59160E-03 -0.48568E-03 25920 0.191E-01 0.950E-02
DAV: 5 -0.560904304024E+03 -0.71812E-04 -0.72987E-04 23604 0.783E-02 0.407E-02
DAV: 6 -0.560904343815E+03 -0.39791E-04 -0.11440E-04 26244 0.308E-02 0.190E-02
DAV: 7 -0.560904383436E+03 -0.39621E-04 -0.15560E-05 19224 0.125E-02 0.575E-03
DAV: 8 -0.560904412701E+03 -0.29265E-04 -0.69945E-06 18492 0.715E-03 0.328E-03
DAV: 9 -0.560904433247E+03 -0.20546E-04 -0.20761E-06 17640 0.436E-03 0.181E-03
DAV: 10 -0.560904461396E+03 -0.28149E-04 -0.34085E-06 17556 0.450E-03 0.188E-03
DAV: 11 -0.560904471945E+03 -0.10549E-04 -0.12133E-06 18468 0.255E-03 0.106E-03
DAV: 12 -0.560904481998E+03 -0.10054E-04 -0.15277E-06 17412 0.269E-03 0.116E-03
DAV: 13 -0.560904485342E+03 -0.33441E-05 -0.49862E-07 17244 0.150E-03
356 F= -.56090449E+03 E0= -.56090892E+03 d E =-.117035E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560904121019E+03 0.36098E-03 -0.11648E+00 21924 0.273E+00 0.273E-01
DAV: 2 -0.560905486914E+03 -0.13659E-02 -0.23686E-02 25128 0.362E-01 0.168E-01
DAV: 3 -0.560905173146E+03 0.31377E-03 -0.92085E-04 26448 0.927E-02 0.861E-02
DAV: 4 -0.560905129937E+03 0.43209E-04 -0.38353E-04 25896 0.536E-02 0.256E-02
DAV: 5 -0.560905132183E+03 -0.22461E-05 -0.56406E-05 25452 0.215E-02
357 F= -.56090513E+03 E0= -.56090956E+03 d E =-.123504E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560906574806E+03 -0.14449E-02 -0.71130E+00 21924 0.671E+00 0.684E-01
DAV: 2 -0.560915127902E+03 -0.85531E-02 -0.14712E-01 24372 0.895E-01 0.412E-01
DAV: 3 -0.560913321723E+03 0.18062E-02 -0.53194E-03 26352 0.222E-01 0.218E-01
DAV: 4 -0.560913043624E+03 0.27810E-03 -0.23481E-03 25428 0.133E-01 0.643E-02
DAV: 5 -0.560913063746E+03 -0.20122E-04 -0.35313E-04 25308 0.544E-02 0.277E-02
DAV: 6 -0.560913068974E+03 -0.52284E-05 -0.54572E-05 24960 0.214E-02
358 F= -.56091307E+03 E0= -.56091747E+03 d E =-.793679E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560912321448E+03 0.74230E-03 -0.19524E+00 21924 0.352E+00 0.356E-01
DAV: 2 -0.560914672360E+03 -0.23509E-02 -0.40202E-02 23664 0.468E-01 0.217E-01
DAV: 3 -0.560914166303E+03 0.50606E-03 -0.14614E-03 27192 0.116E-01 0.114E-01
DAV: 4 -0.560914097599E+03 0.68704E-04 -0.64295E-04 24756 0.693E-02 0.332E-02
DAV: 5 -0.560914111413E+03 -0.13814E-04 -0.96848E-05 23760 0.285E-02 0.145E-02
DAV: 6 -0.560914118261E+03 -0.68483E-05 -0.12803E-05 17508 0.111E-02
359 F= -.56091412E+03 E0= -.56091850E+03 d E =-.898608E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560916920285E+03 -0.28089E-02 -0.41145E+00 21924 0.511E+00 0.515E-01
DAV: 2 -0.560921812628E+03 -0.48923E-02 -0.84637E-02 23988 0.684E-01 0.311E-01
DAV: 3 -0.560920735211E+03 0.10774E-02 -0.30950E-03 26436 0.174E-01 0.164E-01
DAV: 4 -0.560920577312E+03 0.15790E-03 -0.14449E-03 25560 0.106E-01 0.489E-02
DAV: 5 -0.560920596698E+03 -0.19387E-04 -0.21203E-04 23652 0.430E-02 0.220E-02
DAV: 6 -0.560920608243E+03 -0.11544E-04 -0.41138E-05 24648 0.176E-02 0.105E-02
DAV: 7 -0.560920618986E+03 -0.10744E-04 -0.52163E-06 17088 0.801E-03 0.342E-03
DAV: 8 -0.560920628337E+03 -0.93509E-05 -0.30451E-06 17088 0.489E-03
360 F= -.56092063E+03 E0= -.56092499E+03 d E =-.651008E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560919516680E+03 0.11023E-02 -0.32072E+00 21924 0.452E+00 0.454E-01
DAV: 2 -0.560923304777E+03 -0.37881E-02 -0.65829E-02 23970 0.604E-01 0.274E-01
DAV: 3 -0.560922464651E+03 0.84013E-03 -0.24178E-03 26460 0.154E-01 0.144E-01
DAV: 4 -0.560922342267E+03 0.12238E-03 -0.11267E-03 25452 0.934E-02 0.431E-02
DAV: 5 -0.560922359010E+03 -0.16743E-04 -0.16506E-04 23532 0.380E-02 0.194E-02
DAV: 6 -0.560922369348E+03 -0.10338E-04 -0.32045E-05 23268 0.157E-02 0.930E-03
DAV: 7 -0.560922379262E+03 -0.99143E-05 -0.45454E-06 16884 0.731E-03
361 F= -.56092238E+03 E0= -.56092672E+03 d E =-.826100E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560925052755E+03 -0.26834E-02 -0.43547E+00 21924 0.526E+00 0.527E-01
DAV: 2 -0.560930175580E+03 -0.51228E-02 -0.89112E-02 23868 0.700E-01 0.320E-01
DAV: 3 -0.560929031200E+03 0.11444E-02 -0.31998E-03 26460 0.182E-01 0.171E-01
DAV: 4 -0.560928856193E+03 0.17501E-03 -0.16594E-03 24612 0.111E-01 0.512E-02
DAV: 5 -0.560928876011E+03 -0.19818E-04 -0.22964E-04 24336 0.450E-02 0.240E-02
DAV: 6 -0.560928890551E+03 -0.14540E-04 -0.51753E-05 24648 0.195E-02 0.109E-02
DAV: 7 -0.560928903041E+03 -0.12490E-04 -0.59591E-06 17496 0.906E-03 0.366E-03
DAV: 8 -0.560928913909E+03 -0.10868E-04 -0.43129E-06 17328 0.566E-03 0.265E-03
DAV: 9 -0.560928919082E+03 -0.51728E-05 -0.92332E-07 17292 0.331E-03
362 F= -.56092892E+03 E0= -.56093328E+03 d E =-.653982E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560927347503E+03 0.15664E-02 -0.42505E+00 21924 0.519E+00 0.520E-01
DAV: 2 -0.560932384877E+03 -0.50374E-02 -0.87111E-02 23658 0.691E-01 0.316E-01
DAV: 3 -0.560931269470E+03 0.11154E-02 -0.30857E-03 26352 0.179E-01 0.169E-01
DAV: 4 -0.560931096747E+03 0.17272E-03 -0.16356E-03 24588 0.110E-01 0.503E-02
DAV: 5 -0.560931113020E+03 -0.16273E-04 -0.22670E-04 24372 0.448E-02 0.237E-02
DAV: 6 -0.560931125053E+03 -0.12033E-04 -0.50679E-05 24552 0.192E-02 0.107E-02
DAV: 7 -0.560931135199E+03 -0.10147E-04 -0.56707E-06 17112 0.889E-03 0.364E-03
DAV: 8 -0.560931144423E+03 -0.92240E-05 -0.40902E-06 16908 0.556E-03
363 F= -.56093114E+03 E0= -.56093552E+03 d E =-.876516E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560933273006E+03 -0.21378E-02 -0.59227E+00 21924 0.612E+00 0.610E-01
DAV: 2 -0.560940491319E+03 -0.72183E-02 -0.12067E-01 23604 0.810E-01 0.372E-01
DAV: 3 -0.560938954300E+03 0.15370E-02 -0.42747E-03 26472 0.209E-01 0.197E-01
DAV: 4 -0.560938730826E+03 0.22347E-03 -0.20201E-03 25392 0.125E-01 0.577E-02
DAV: 5 -0.560938753306E+03 -0.22480E-04 -0.28652E-04 24066 0.490E-02 0.260E-02
DAV: 6 -0.560938765100E+03 -0.11794E-04 -0.57927E-05 25416 0.208E-02 0.120E-02
DAV: 7 -0.560938774698E+03 -0.95984E-05 -0.66212E-06 17232 0.960E-03
364 F= -.56093877E+03 E0= -.56094315E+03 d E =-.763027E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560937776973E+03 0.98813E-03 -0.27771E+00 21924 0.419E+00 0.417E-01
DAV: 2 -0.560941112648E+03 -0.33357E-02 -0.56159E-02 23778 0.553E-01 0.255E-01
DAV: 3 -0.560940385971E+03 0.72668E-03 -0.20257E-03 26580 0.143E-01 0.133E-01
DAV: 4 -0.560940286385E+03 0.99585E-04 -0.93729E-04 24756 0.855E-02 0.392E-02
DAV: 5 -0.560940300615E+03 -0.14229E-04 -0.13158E-04 24144 0.330E-02 0.177E-02
DAV: 6 -0.560940308275E+03 -0.76606E-05 -0.24987E-05 20328 0.143E-02
365 F= -.56094031E+03 E0= -.56094469E+03 d E =-.916385E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560942882487E+03 -0.25819E-02 -0.54187E+00 21924 0.586E+00 0.593E-01
DAV: 2 -0.560949310164E+03 -0.64277E-02 -0.11068E-01 22968 0.780E-01 0.356E-01
DAV: 3 -0.560947909834E+03 0.14003E-02 -0.40101E-03 26604 0.200E-01 0.188E-01
DAV: 4 -0.560947699948E+03 0.20989E-03 -0.19017E-03 25608 0.121E-01 0.557E-02
DAV: 5 -0.560947722411E+03 -0.22463E-04 -0.27358E-04 23688 0.486E-02 0.252E-02
DAV: 6 -0.560947735855E+03 -0.13443E-04 -0.52782E-05 25116 0.197E-02 0.120E-02
DAV: 7 -0.560947748015E+03 -0.12161E-04 -0.64513E-06 17256 0.888E-03 0.381E-03
DAV: 8 -0.560947758550E+03 -0.10534E-04 -0.41976E-06 17364 0.549E-03 0.257E-03
DAV: 9 -0.560947764229E+03 -0.56797E-05 -0.92869E-07 17304 0.322E-03
366 F= -.56094776E+03 E0= -.56095213E+03 d E =-.745595E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560943976995E+03 0.37816E-02 -0.74743E+00 21924 0.688E+00 0.698E-01
DAV: 2 -0.560952860117E+03 -0.88831E-02 -0.15310E-01 22878 0.917E-01 0.417E-01
DAV: 3 -0.560950937909E+03 0.19222E-02 -0.55069E-03 26604 0.234E-01 0.222E-01
DAV: 4 -0.560950640547E+03 0.29736E-03 -0.26485E-03 25680 0.143E-01 0.659E-02
DAV: 5 -0.560950665857E+03 -0.25310E-04 -0.38073E-04 23832 0.576E-02 0.297E-02
DAV: 6 -0.560950681370E+03 -0.15513E-04 -0.74805E-05 24792 0.234E-02 0.141E-02
DAV: 7 -0.560950694946E+03 -0.13576E-04 -0.90520E-06 18012 0.105E-02 0.452E-03
DAV: 8 -0.560950707054E+03 -0.12108E-04 -0.55380E-06 17364 0.634E-03 0.295E-03
DAV: 9 -0.560950713665E+03 -0.66109E-05 -0.12300E-06 17208 0.370E-03
367 F= -.56095071E+03 E0= -.56095506E+03 d E =-.104054E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560952684057E+03 -0.19770E-02 -0.55756E+00 21924 0.593E+00 0.587E-01
DAV: 2 -0.560959374601E+03 -0.66905E-02 -0.11110E-01 23220 0.780E-01 0.361E-01
DAV: 3 -0.560958001940E+03 0.13727E-02 -0.39490E-03 27012 0.199E-01 0.191E-01
DAV: 4 -0.560957805205E+03 0.19674E-03 -0.18859E-03 24840 0.120E-01 0.549E-02
DAV: 5 -0.560957823948E+03 -0.18743E-04 -0.27333E-04 23952 0.486E-02 0.248E-02
DAV: 6 -0.560957834457E+03 -0.10509E-04 -0.52115E-05 24888 0.196E-02 0.118E-02
DAV: 7 -0.560957843007E+03 -0.85502E-05 -0.60663E-06 16488 0.897E-03
368 F= -.56095784E+03 E0= -.56096220E+03 d E =-.712934E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560954745803E+03 0.30887E-02 -0.60353E+00 21924 0.618E+00 0.612E-01
DAV: 2 -0.560961955849E+03 -0.72100E-02 -0.12050E-01 23718 0.813E-01 0.376E-01
DAV: 3 -0.560960445466E+03 0.15104E-02 -0.42914E-03 27096 0.207E-01 0.198E-01
DAV: 4 -0.560960232786E+03 0.21268E-03 -0.20228E-03 24984 0.123E-01 0.574E-02
DAV: 5 -0.560960255541E+03 -0.22755E-04 -0.29051E-04 23796 0.495E-02 0.257E-02
DAV: 6 -0.560960267278E+03 -0.11737E-04 -0.54570E-05 25428 0.204E-02 0.121E-02
DAV: 7 -0.560960277114E+03 -0.98356E-05 -0.64755E-06 16752 0.941E-03
369 F= -.56096028E+03 E0= -.56096465E+03 d E =-.956345E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560962687145E+03 -0.24199E-02 -0.50637E+00 21924 0.566E+00 0.550E-01
DAV: 2 -0.560969049623E+03 -0.63625E-02 -0.10237E-01 23736 0.744E-01 0.337E-01
DAV: 3 -0.560967794022E+03 0.12556E-02 -0.33613E-03 26412 0.182E-01 0.178E-01
DAV: 4 -0.560967618823E+03 0.17520E-03 -0.16418E-03 25248 0.111E-01 0.513E-02
DAV: 5 -0.560967640021E+03 -0.21198E-04 -0.25489E-04 23748 0.461E-02 0.225E-02
DAV: 6 -0.560967649246E+03 -0.92253E-05 -0.37406E-05 24012 0.173E-02
370 F= -.56096765E+03 E0= -.56097205E+03 d E =-.737213E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560963229831E+03 0.44102E-02 -0.78938E+00 21924 0.708E+00 0.690E-01
DAV: 2 -0.560973207856E+03 -0.99780E-02 -0.16040E-01 23760 0.931E-01 0.422E-01
DAV: 3 -0.560971245564E+03 0.19623E-02 -0.52116E-03 26520 0.228E-01 0.224E-01
DAV: 4 -0.560970961992E+03 0.28357E-03 -0.25937E-03 25428 0.140E-01 0.648E-02
DAV: 5 -0.560970993546E+03 -0.31554E-04 -0.40648E-04 23748 0.582E-02 0.283E-02
DAV: 6 -0.560971007280E+03 -0.13734E-04 -0.59968E-05 25824 0.217E-02 0.135E-02
DAV: 7 -0.560971021278E+03 -0.13998E-04 -0.71055E-06 17100 0.907E-03 0.416E-03
DAV: 8 -0.560971032864E+03 -0.11586E-04 -0.39715E-06 18432 0.556E-03 0.244E-03
DAV: 9 -0.560971041852E+03 -0.89880E-05 -0.13340E-06 16752 0.423E-03
371 F= -.56097104E+03 E0= -.56097549E+03 d E =-.107647E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560972656237E+03 -0.16234E-02 -0.65171E+00 21924 0.644E+00 0.628E-01
DAV: 2 -0.560980675192E+03 -0.80190E-02 -0.13169E-01 22908 0.842E-01 0.392E-01
DAV: 3 -0.560979020871E+03 0.16543E-02 -0.42971E-03 26364 0.213E-01 0.210E-01
DAV: 4 -0.560978761844E+03 0.25903E-03 -0.24262E-03 25284 0.131E-01 0.610E-02
DAV: 5 -0.560978782922E+03 -0.21078E-04 -0.36623E-04 23580 0.568E-02 0.281E-02
DAV: 6 -0.560978796325E+03 -0.13403E-04 -0.61758E-05 24756 0.210E-02 0.126E-02
DAV: 7 -0.560978808332E+03 -0.12007E-04 -0.65225E-06 17172 0.865E-03 0.381E-03
DAV: 8 -0.560978817669E+03 -0.93369E-05 -0.30863E-06 17172 0.471E-03
372 F= -.56097882E+03 E0= -.56098325E+03 d E =-.777582E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560975646071E+03 0.31623E-02 -0.53578E+00 21924 0.584E+00 0.570E-01
DAV: 2 -0.560982214082E+03 -0.65680E-02 -0.10821E-01 22704 0.763E-01 0.355E-01
DAV: 3 -0.560980854930E+03 0.13592E-02 -0.35586E-03 26400 0.193E-01 0.190E-01
DAV: 4 -0.560980644152E+03 0.21078E-03 -0.19904E-03 25176 0.119E-01 0.550E-02
DAV: 5 -0.560980664680E+03 -0.20528E-04 -0.29979E-04 23496 0.514E-02 0.254E-02
DAV: 6 -0.560980678324E+03 -0.13644E-04 -0.51030E-05 24840 0.190E-02 0.115E-02
DAV: 7 -0.560980690835E+03 -0.12512E-04 -0.54801E-06 17268 0.795E-03 0.350E-03
DAV: 8 -0.560980700436E+03 -0.96001E-05 -0.27134E-06 17520 0.438E-03
373 F= -.56098070E+03 E0= -.56098513E+03 d E =-.965858E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560981049719E+03 -0.35888E-03 -0.64205E+00 21924 0.636E+00 0.623E-01
DAV: 2 -0.560989088706E+03 -0.80390E-02 -0.12966E-01 23442 0.833E-01 0.383E-01
DAV: 3 -0.560987519026E+03 0.15697E-02 -0.41908E-03 26376 0.208E-01 0.204E-01
DAV: 4 -0.560987292462E+03 0.22656E-03 -0.21491E-03 25548 0.126E-01 0.573E-02
DAV: 5 -0.560987314985E+03 -0.22522E-04 -0.32341E-04 23952 0.522E-02 0.259E-02
DAV: 6 -0.560987326520E+03 -0.11535E-04 -0.52623E-05 24972 0.202E-02 0.122E-02
DAV: 7 -0.560987337376E+03 -0.10856E-04 -0.62271E-06 17124 0.858E-03 0.366E-03
DAV: 8 -0.560987345892E+03 -0.85159E-05 -0.33202E-06 17172 0.494E-03
374 F= -.56098735E+03 E0= -.56099176E+03 d E =-.664546E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560983883841E+03 0.34535E-02 -0.56176E+00 21924 0.595E+00 0.583E-01
DAV: 2 -0.560990887177E+03 -0.70033E-02 -0.11325E-01 23556 0.779E-01 0.359E-01
DAV: 3 -0.560989506838E+03 0.13803E-02 -0.36742E-03 26400 0.195E-01 0.190E-01
DAV: 4 -0.560989308699E+03 0.19814E-03 -0.18829E-03 25416 0.118E-01 0.536E-02
DAV: 5 -0.560989329481E+03 -0.20782E-04 -0.28279E-04 23628 0.488E-02 0.242E-02
DAV: 6 -0.560989340333E+03 -0.10852E-04 -0.46183E-05 24864 0.190E-02 0.114E-02
DAV: 7 -0.560989350733E+03 -0.10400E-04 -0.55345E-06 17148 0.808E-03 0.343E-03
DAV: 8 -0.560989358868E+03 -0.81351E-05 -0.29486E-06 17100 0.468E-03
375 F= -.56098936E+03 E0= -.56099376E+03 d E =-.865843E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560992130164E+03 -0.27794E-02 -0.48320E+00 21924 0.552E+00 0.555E-01
DAV: 2 -0.560998046213E+03 -0.59160E-02 -0.10016E-01 23532 0.738E-01 0.333E-01
DAV: 3 -0.560996784822E+03 0.12614E-02 -0.34761E-03 26436 0.186E-01 0.179E-01
DAV: 4 -0.560996591202E+03 0.19362E-03 -0.17106E-03 25668 0.112E-01 0.535E-02
DAV: 5 -0.560996610648E+03 -0.19446E-04 -0.25364E-04 23520 0.467E-02 0.229E-02
DAV: 6 -0.560996622368E+03 -0.11720E-04 -0.41171E-05 24720 0.180E-02 0.109E-02
DAV: 7 -0.560996634791E+03 -0.12423E-04 -0.52349E-06 17184 0.756E-03 0.330E-03
DAV: 8 -0.560996645176E+03 -0.10385E-04 -0.26056E-06 16896 0.430E-03 0.191E-03
DAV: 9 -0.560996653692E+03 -0.85164E-05 -0.86435E-07 17304 0.289E-03
376 F= -.56099665E+03 E0= -.56100107E+03 d E =-.729482E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560992839440E+03 0.38057E-02 -0.65217E+00 21924 0.642E+00 0.646E-01
DAV: 2 -0.561000857649E+03 -0.80182E-02 -0.13563E-01 23460 0.859E-01 0.388E-01
DAV: 3 -0.560999157238E+03 0.17004E-02 -0.46809E-03 26424 0.216E-01 0.209E-01
DAV: 4 -0.560998889472E+03 0.26777E-03 -0.23217E-03 25776 0.131E-01 0.626E-02
DAV: 5 -0.560998911890E+03 -0.22418E-04 -0.34561E-04 23772 0.545E-02 0.268E-02
DAV: 6 -0.560998925093E+03 -0.13203E-04 -0.55815E-05 24744 0.210E-02 0.126E-02
DAV: 7 -0.560998939027E+03 -0.13934E-04 -0.69368E-06 17124 0.872E-03 0.386E-03
DAV: 8 -0.560998950925E+03 -0.11898E-04 -0.34506E-06 16920 0.496E-03 0.219E-03
DAV: 9 -0.560998960357E+03 -0.94324E-05 -0.10457E-06 17280 0.323E-03
377 F= -.56099896E+03 E0= -.56100340E+03 d E =-.960149E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561001146195E+03 -0.21953E-02 -0.36809E+00 21924 0.482E+00 0.486E-01
DAV: 2 -0.561005567325E+03 -0.44211E-02 -0.75398E-02 23886 0.638E-01 0.300E-01
DAV: 3 -0.561004595502E+03 0.97182E-03 -0.26893E-03 27240 0.168E-01 0.162E-01
DAV: 4 -0.561004434363E+03 0.16114E-03 -0.13692E-03 24300 0.998E-02 0.470E-02
DAV: 5 -0.561004448595E+03 -0.14232E-04 -0.19611E-04 24468 0.407E-02 0.209E-02
DAV: 6 -0.561004458028E+03 -0.94335E-05 -0.35307E-05 23940 0.164E-02
378 F= -.56100446E+03 E0= -.56100890E+03 d E =-.549767E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.560999739306E+03 0.47093E-02 -0.87495E+00 21924 0.743E+00 0.755E-01
DAV: 2 -0.561010302207E+03 -0.10563E-01 -0.18103E-01 23514 0.988E-01 0.464E-01
DAV: 3 -0.561007995750E+03 0.23065E-02 -0.64709E-03 27612 0.260E-01 0.251E-01
DAV: 4 -0.561007603875E+03 0.39187E-03 -0.32642E-03 24732 0.154E-01 0.739E-02
DAV: 5 -0.561007633920E+03 -0.30045E-04 -0.46655E-04 24264 0.628E-02 0.326E-02
DAV: 6 -0.561007655438E+03 -0.21518E-04 -0.86773E-05 25428 0.255E-02 0.148E-02
DAV: 7 -0.561007674980E+03 -0.19542E-04 -0.99110E-06 17976 0.111E-02 0.463E-03
DAV: 8 -0.561007691254E+03 -0.16275E-04 -0.59237E-06 18288 0.620E-03 0.308E-03
DAV: 9 -0.561007699918E+03 -0.86638E-05 -0.12301E-06 16872 0.364E-03
379 F= -.56100770E+03 E0= -.56101216E+03 d E =-.873956E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561011562075E+03 -0.38708E-02 -0.34433E+00 21924 0.465E+00 0.476E-01
DAV: 2 -0.561015768848E+03 -0.42068E-02 -0.72162E-02 23976 0.622E-01 0.287E-01
DAV: 3 -0.561014830470E+03 0.93838E-03 -0.25948E-03 26316 0.165E-01 0.152E-01
DAV: 4 -0.561014696552E+03 0.13392E-03 -0.13334E-03 25272 0.100E-01 0.463E-02
DAV: 5 -0.561014703699E+03 -0.71471E-05 -0.18268E-04 23976 0.405E-02 0.209E-02
DAV: 6 -0.561014711939E+03 -0.82406E-05 -0.41123E-05 24060 0.171E-02
380 F= -.56101471E+03 E0= -.56101919E+03 d E =-.701202E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561012005025E+03 0.26987E-02 -0.58920E+00 21924 0.608E+00 0.627E-01
DAV: 2 -0.561019198000E+03 -0.71930E-02 -0.12397E-01 23844 0.816E-01 0.376E-01
DAV: 3 -0.561017580461E+03 0.16175E-02 -0.44863E-03 26604 0.217E-01 0.200E-01
DAV: 4 -0.561017343184E+03 0.23728E-03 -0.22815E-03 25380 0.131E-01 0.614E-02
DAV: 5 -0.561017354915E+03 -0.11731E-04 -0.31398E-04 23724 0.529E-02 0.275E-02
DAV: 6 -0.561017368493E+03 -0.13578E-04 -0.70368E-05 25584 0.224E-02 0.130E-02
DAV: 7 -0.561017380585E+03 -0.12092E-04 -0.76033E-06 17148 0.967E-03 0.459E-03
DAV: 8 -0.561017392734E+03 -0.12149E-04 -0.53244E-06 17640 0.652E-03 0.295E-03
DAV: 9 -0.561017399689E+03 -0.69551E-05 -0.13373E-06 16884 0.406E-03
381 F= -.56101740E+03 E0= -.56102189E+03 d E =-.969977E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561020203907E+03 -0.28112E-02 -0.38691E+00 21924 0.492E+00 0.511E-01
DAV: 2 -0.561024619728E+03 -0.44158E-02 -0.80205E-02 23772 0.656E-01 0.309E-01
DAV: 3 -0.561023515603E+03 0.11041E-02 -0.29917E-03 26328 0.180E-01 0.165E-01
DAV: 4 -0.561023348265E+03 0.16734E-03 -0.16006E-03 24648 0.108E-01 0.517E-02
DAV: 5 -0.561023357051E+03 -0.87864E-05 -0.21772E-04 24432 0.447E-02 0.231E-02
DAV: 6 -0.561023367033E+03 -0.99816E-05 -0.47849E-05 24600 0.184E-02
382 F= -.56102337E+03 E0= -.56102787E+03 d E =-.596734E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561019813279E+03 0.35438E-02 -0.83848E+00 21924 0.725E+00 0.759E-01
DAV: 2 -0.561029450940E+03 -0.96377E-02 -0.17571E-01 23538 0.970E-01 0.457E-01
DAV: 3 -0.561027055419E+03 0.23955E-02 -0.65885E-03 26580 0.267E-01 0.246E-01
DAV: 4 -0.561026677767E+03 0.37765E-03 -0.34741E-03 24852 0.160E-01 0.777E-02
DAV: 5 -0.561026696433E+03 -0.18666E-04 -0.47454E-04 24576 0.659E-02 0.344E-02
DAV: 6 -0.561026718404E+03 -0.21970E-04 -0.10330E-04 24888 0.272E-02 0.153E-02
DAV: 7 -0.561026737547E+03 -0.19144E-04 -0.10987E-05 18528 0.119E-02 0.511E-03
DAV: 8 -0.561026754857E+03 -0.17309E-04 -0.65462E-06 17556 0.729E-03 0.331E-03
DAV: 9 -0.561026766290E+03 -0.11434E-04 -0.19762E-06 17184 0.507E-03 0.178E-03
DAV: 10 -0.561026782588E+03 -0.16297E-04 -0.23340E-06 17436 0.468E-03 0.216E-03
DAV: 11 -0.561026790574E+03 -0.79865E-05 -0.98148E-07 17028 0.287E-03
383 F= -.56102679E+03 E0= -.56103130E+03 d E =-.939089E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561031364488E+03 -0.45819E-02 -0.48521E+00 21924 0.553E+00 0.564E-01
DAV: 2 -0.561036990668E+03 -0.56262E-02 -0.99365E-02 23700 0.740E-01 0.353E-01
DAV: 3 -0.561035631949E+03 0.13587E-02 -0.39505E-03 27168 0.203E-01 0.190E-01
DAV: 4 -0.561035405794E+03 0.22615E-03 -0.18192E-03 24804 0.116E-01 0.580E-02
DAV: 5 -0.561035416738E+03 -0.10944E-04 -0.27170E-04 25212 0.486E-02 0.243E-02
DAV: 6 -0.561035423972E+03 -0.72336E-05 -0.45464E-05 24156 0.185E-02
384 F= -.56103542E+03 E0= -.56103991E+03 d E =-.863340E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561035149345E+03 0.26739E-03 -0.26893E+00 21924 0.411E+00 0.419E-01
DAV: 2 -0.561038267797E+03 -0.31185E-02 -0.55006E-02 23784 0.551E-01 0.264E-01
DAV: 3 -0.561037509757E+03 0.75804E-03 -0.21934E-03 27432 0.151E-01 0.141E-01
DAV: 4 -0.561037389358E+03 0.12040E-03 -0.10123E-03 24612 0.867E-02 0.429E-02
DAV: 5 -0.561037401243E+03 -0.11886E-04 -0.15166E-04 24552 0.364E-02 0.181E-02
DAV: 6 -0.561037409992E+03 -0.87487E-05 -0.24443E-05 22428 0.137E-02
385 F= -.56103741E+03 E0= -.56104189E+03 d E =-.106194E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561039279265E+03 -0.18780E-02 -0.60382E+00 21924 0.617E+00 0.633E-01
DAV: 2 -0.561046832009E+03 -0.75527E-02 -0.12793E-01 23586 0.832E-01 0.379E-01
DAV: 3 -0.561045212656E+03 0.16194E-02 -0.43752E-03 26652 0.209E-01 0.206E-01
DAV: 4 -0.561044946587E+03 0.26607E-03 -0.22713E-03 25812 0.127E-01 0.620E-02
DAV: 5 -0.561044961414E+03 -0.14827E-04 -0.36037E-04 24660 0.566E-02 0.258E-02
DAV: 6 -0.561044976136E+03 -0.14722E-04 -0.51643E-05 25596 0.203E-02 0.123E-02
DAV: 7 -0.561044994297E+03 -0.18161E-04 -0.70742E-06 17004 0.785E-03 0.381E-03
DAV: 8 -0.561045009383E+03 -0.15086E-04 -0.26979E-06 18000 0.424E-03 0.192E-03
DAV: 9 -0.561045025311E+03 -0.15928E-04 -0.13229E-06 17148 0.301E-03 0.101E-03
DAV: 10 -0.561045041176E+03 -0.15864E-04 -0.15921E-06 18108 0.247E-03 0.105E-03
DAV: 11 -0.561045049050E+03 -0.78749E-05 -0.73721E-07 16848 0.184E-03
386 F= -.56104505E+03 E0= -.56104953E+03 d E =-.763906E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561044722009E+03 0.31917E-03 -0.11933E+00 21924 0.274E+00 0.279E-01
DAV: 2 -0.561046192284E+03 -0.14703E-02 -0.24950E-02 23922 0.368E-01 0.168E-01
DAV: 3 -0.561045872212E+03 0.32007E-03 -0.86201E-04 25932 0.926E-02 0.905E-02
DAV: 4 -0.561045821580E+03 0.50632E-04 -0.44218E-04 25464 0.559E-02 0.269E-02
DAV: 5 -0.561045824177E+03 -0.25967E-05 -0.69270E-05 24336 0.248E-02
387 F= -.56104582E+03 E0= -.56105030E+03 d E =-.841419E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561048036213E+03 -0.22146E-02 -0.53011E+00 21924 0.580E+00 0.581E-01
DAV: 2 -0.561054467243E+03 -0.64310E-02 -0.10627E-01 23982 0.760E-01 0.366E-01
DAV: 3 -0.561053083685E+03 0.13836E-02 -0.37977E-03 27432 0.203E-01 0.199E-01
DAV: 4 -0.561052855733E+03 0.22795E-03 -0.19981E-03 24972 0.118E-01 0.568E-02
DAV: 5 -0.561052866947E+03 -0.11214E-04 -0.29344E-04 23862 0.503E-02 0.249E-02
DAV: 6 -0.561052878936E+03 -0.11989E-04 -0.51878E-05 24756 0.192E-02 0.112E-02
DAV: 7 -0.561052889838E+03 -0.10902E-04 -0.56114E-06 16704 0.769E-03 0.360E-03
DAV: 8 -0.561052898682E+03 -0.88436E-05 -0.25100E-06 17352 0.406E-03
388 F= -.56105290E+03 E0= -.56105741E+03 d E =-.707450E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561052806227E+03 0.83612E-04 -0.66300E-01 21924 0.205E+00 0.203E-01
DAV: 2 -0.561053596182E+03 -0.78996E-03 -0.13182E-02 24294 0.268E-01 0.129E-01
DAV: 3 -0.561053422419E+03 0.17376E-03 -0.47717E-04 27972 0.717E-02 0.695E-02
DAV: 4 -0.561053399349E+03 0.23071E-04 -0.25256E-04 23592 0.420E-02 0.198E-02
DAV: 5 -0.561053403918E+03 -0.45698E-05 -0.36631E-05 23808 0.179E-02
389 F= -.56105340E+03 E0= -.56105792E+03 d E =-.757974E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561056011979E+03 -0.26126E-02 -0.34478E+00 21924 0.469E+00 0.453E-01
DAV: 2 -0.561060159919E+03 -0.41479E-02 -0.67882E-02 24204 0.614E-01 0.284E-01
DAV: 3 -0.561059293184E+03 0.86674E-03 -0.25490E-03 27432 0.165E-01 0.151E-01
DAV: 4 -0.561059167422E+03 0.12576E-03 -0.11705E-03 24996 0.934E-02 0.460E-02
DAV: 5 -0.561059178374E+03 -0.10951E-04 -0.17314E-04 24306 0.382E-02 0.197E-02
DAV: 6 -0.561059183986E+03 -0.56123E-05 -0.25044E-05 21516 0.145E-02
390 F= -.56105918E+03 E0= -.56106368E+03 d E =-.578007E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561059066308E+03 0.11207E-03 -0.97652E-01 21924 0.250E+00 0.240E-01
DAV: 2 -0.561060232212E+03 -0.11659E-02 -0.19179E-02 24270 0.327E-01 0.151E-01
DAV: 3 -0.561059983169E+03 0.24904E-03 -0.72733E-04 27504 0.886E-02 0.802E-02
DAV: 4 -0.561059952653E+03 0.30516E-04 -0.33495E-04 24372 0.500E-02 0.244E-02
DAV: 5 -0.561059959114E+03 -0.64607E-05 -0.49734E-05 23736 0.207E-02
391 F= -.56105996E+03 E0= -.56106444E+03 d E =-.655520E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561061599197E+03 -0.16465E-02 -0.41066E+00 21924 0.510E+00 0.507E-01
DAV: 2 -0.561066346055E+03 -0.47469E-02 -0.82096E-02 23784 0.671E-01 0.309E-01
DAV: 3 -0.561065259545E+03 0.10865E-02 -0.29995E-03 26472 0.178E-01 0.164E-01
DAV: 4 -0.561065106381E+03 0.15316E-03 -0.14708E-03 25656 0.103E-01 0.505E-02
DAV: 5 -0.561065117955E+03 -0.11573E-04 -0.20517E-04 24012 0.427E-02 0.211E-02
DAV: 6 -0.561065127945E+03 -0.99907E-05 -0.35796E-05 23784 0.164E-02
392 F= -.56106513E+03 E0= -.56106956E+03 d E =-.516883E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561065130074E+03 -0.12119E-04 -0.24905E-01 21924 0.126E+00 0.124E-01
DAV: 2 -0.561065415750E+03 -0.28568E-03 -0.49559E-03 24672 0.165E-01 0.764E-02
DAV: 3 -0.561065350959E+03 0.64792E-04 -0.18794E-04 27276 0.445E-02 0.399E-02
DAV: 4 -0.561065350028E+03 0.93076E-06 -0.88130E-05 24204 0.252E-02
393 F= -.56106535E+03 E0= -.56106977E+03 d E =-.539091E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561067529596E+03 -0.21786E-02 -0.36259E+00 21924 0.479E+00 0.477E-01
DAV: 2 -0.561071755330E+03 -0.42257E-02 -0.71216E-02 24444 0.627E-01 0.306E-01
DAV: 3 -0.561070794175E+03 0.96116E-03 -0.25784E-03 27684 0.168E-01 0.165E-01
DAV: 4 -0.561070628698E+03 0.16548E-03 -0.14003E-03 25056 0.998E-02 0.461E-02
DAV: 5 -0.561070636187E+03 -0.74890E-05 -0.20060E-04 23688 0.422E-02 0.205E-02
DAV: 6 -0.561070647186E+03 -0.10999E-04 -0.39538E-05 23916 0.166E-02 0.945E-03
DAV: 7 -0.561070658058E+03 -0.10872E-04 -0.45337E-06 16344 0.750E-03 0.318E-03
DAV: 8 -0.561070667952E+03 -0.98946E-05 -0.25592E-06 17460 0.410E-03
394 F= -.56107067E+03 E0= -.56107510E+03 d E =-.531792E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561070767806E+03 -0.10975E-03 -0.32341E-01 21924 0.143E+00 0.141E-01
DAV: 2 -0.561071139312E+03 -0.37151E-03 -0.63167E-03 24852 0.187E-01 0.910E-02
DAV: 3 -0.561071054606E+03 0.84706E-04 -0.22938E-04 27996 0.499E-02 0.489E-02
DAV: 4 -0.561071045464E+03 0.91427E-05 -0.12668E-04 23988 0.299E-02 0.135E-02
DAV: 5 -0.561071049260E+03 -0.37963E-05 -0.17483E-05 21288 0.128E-02
395 F= -.56107105E+03 E0= -.56107549E+03 d E =-.569923E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561073219257E+03 -0.21738E-02 -0.33180E+00 21924 0.460E+00 0.460E-01
DAV: 2 -0.561077189914E+03 -0.39707E-02 -0.67296E-02 24120 0.615E-01 0.282E-01
DAV: 3 -0.561076327430E+03 0.86248E-03 -0.24359E-03 26616 0.157E-01 0.154E-01
DAV: 4 -0.561076177511E+03 0.14992E-03 -0.12392E-03 25776 0.957E-02 0.456E-02
DAV: 5 -0.561076181382E+03 -0.38706E-05 -0.18955E-04 23916 0.423E-02 0.193E-02
DAV: 6 -0.561076189718E+03 -0.83362E-05 -0.33459E-05 23784 0.159E-02
396 F= -.56107619E+03 E0= -.56108065E+03 d E =-.514046E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561076189988E+03 -0.86057E-05 -0.43078E-01 21924 0.166E+00 0.165E-01
DAV: 2 -0.561076700134E+03 -0.51015E-03 -0.87036E-03 24354 0.222E-01 0.102E-01
DAV: 3 -0.561076588447E+03 0.11169E-03 -0.32197E-04 27696 0.568E-02 0.549E-02
DAV: 4 -0.561076577035E+03 0.11412E-04 -0.15845E-04 23880 0.342E-02 0.163E-02
DAV: 5 -0.561076583798E+03 -0.67631E-05 -0.23575E-05 21552 0.151E-02
397 F= -.56107658E+03 E0= -.56108105E+03 d E =-.553454E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561078216852E+03 -0.16398E-02 -0.33108E+00 21924 0.460E+00 0.449E-01
DAV: 2 -0.561082349744E+03 -0.41329E-02 -0.65366E-02 24150 0.600E-01 0.283E-01
DAV: 3 -0.561081521295E+03 0.82845E-03 -0.22777E-03 27552 0.159E-01 0.153E-01
DAV: 4 -0.561081391963E+03 0.12933E-03 -0.11458E-03 25104 0.922E-02 0.437E-02
DAV: 5 -0.561081401287E+03 -0.93244E-05 -0.17811E-04 24312 0.392E-02 0.187E-02
DAV: 6 -0.561081408768E+03 -0.74809E-05 -0.26448E-05 22272 0.143E-02
398 F= -.56108141E+03 E0= -.56108584E+03 d E =-.482497E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561080861475E+03 0.53981E-03 -0.15835E+00 21924 0.318E+00 0.310E-01
DAV: 2 -0.561082828335E+03 -0.19669E-02 -0.31233E-02 24192 0.415E-01 0.196E-01
DAV: 3 -0.561082428302E+03 0.40003E-03 -0.11054E-03 27960 0.111E-01 0.105E-01
DAV: 4 -0.561082369487E+03 0.58815E-04 -0.54614E-04 24726 0.638E-02 0.300E-02
DAV: 5 -0.561082377165E+03 -0.76785E-05 -0.85612E-05 24360 0.271E-02
399 F= -.56108238E+03 E0= -.56108677E+03 d E =-.579337E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561084885751E+03 -0.25163E-02 -0.19939E+00 21924 0.358E+00 0.343E-01
DAV: 2 -0.561087426732E+03 -0.25410E-02 -0.38760E-02 24006 0.465E-01 0.219E-01
DAV: 3 -0.561086947482E+03 0.47925E-03 -0.13355E-03 27732 0.123E-01 0.118E-01
DAV: 4 -0.561086878245E+03 0.69237E-04 -0.70199E-04 24474 0.719E-02 0.329E-02
DAV: 5 -0.561086884007E+03 -0.57622E-05 -0.10687E-04 24564 0.306E-02 0.148E-02
DAV: 6 -0.561086889925E+03 -0.59182E-05 -0.17189E-05 20334 0.113E-02
400 F= -.56108689E+03 E0= -.56109128E+03 d E =-.451276E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561085002785E+03 0.18812E-02 -0.46517E+00 21924 0.547E+00 0.525E-01
DAV: 2 -0.561090896883E+03 -0.58941E-02 -0.90775E-02 23916 0.713E-01 0.334E-01
DAV: 3 -0.561089763938E+03 0.11329E-02 -0.31608E-03 27588 0.190E-01 0.181E-01
DAV: 4 -0.561089583483E+03 0.18046E-03 -0.16446E-03 24996 0.110E-01 0.511E-02
DAV: 5 -0.561089588899E+03 -0.54164E-05 -0.24976E-04 24372 0.467E-02 0.226E-02
DAV: 6 -0.561089595793E+03 -0.68937E-05 -0.42263E-05 25164 0.171E-02
401 F= -.56108960E+03 E0= -.56109398E+03 d E =-.721863E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561091320912E+03 -0.17320E-02 -0.34069E+00 21924 0.467E+00 0.449E-01
DAV: 2 -0.561095770951E+03 -0.44500E-02 -0.67712E-02 24234 0.609E-01 0.282E-01
DAV: 3 -0.561094952611E+03 0.81834E-03 -0.20720E-03 26880 0.153E-01 0.155E-01
DAV: 4 -0.561094823068E+03 0.12954E-03 -0.12924E-03 24732 0.966E-02 0.427E-02
DAV: 5 -0.561094828748E+03 -0.56797E-05 -0.20531E-04 24804 0.434E-02 0.189E-02
DAV: 6 -0.561094837337E+03 -0.85885E-05 -0.33778E-05 22524 0.151E-02
402 F= -.56109484E+03 E0= -.56109927E+03 d E =-.524154E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561094201436E+03 0.62731E-03 -0.17263E+00 21924 0.332E+00 0.319E-01
DAV: 2 -0.561096449303E+03 -0.22479E-02 -0.34227E-02 24354 0.433E-01 0.201E-01
DAV: 3 -0.561096033745E+03 0.41556E-03 -0.10499E-03 27144 0.109E-01 0.110E-01
DAV: 4 -0.561095972429E+03 0.61316E-04 -0.65423E-04 24168 0.687E-02 0.302E-02
DAV: 5 -0.561095978001E+03 -0.55718E-05 -0.10397E-04 25212 0.308E-02 0.135E-02
DAV: 6 -0.561095984416E+03 -0.64149E-05 -0.16516E-05 19884 0.108E-02
403 F= -.56109598E+03 E0= -.56110045E+03 d E =-.638862E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561097592499E+03 -0.16145E-02 -0.42151E+00 21924 0.521E+00 0.501E-01
DAV: 2 -0.561102909154E+03 -0.53167E-02 -0.82064E-02 23496 0.675E-01 0.320E-01
DAV: 3 -0.561101913516E+03 0.99564E-03 -0.26718E-03 26832 0.173E-01 0.176E-01
DAV: 4 -0.561101743077E+03 0.17044E-03 -0.15408E-03 25104 0.107E-01 0.481E-02
DAV: 5 -0.561101747447E+03 -0.43707E-05 -0.24350E-04 24972 0.469E-02 0.211E-02
DAV: 6 -0.561101755475E+03 -0.80281E-05 -0.41774E-05 24660 0.167E-02
404 F= -.56110176E+03 E0= -.56110622E+03 d E =-.577106E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561100351243E+03 0.13962E-02 -0.29132E+00 21924 0.433E+00 0.416E-01
DAV: 2 -0.561104024703E+03 -0.36735E-02 -0.56688E-02 23724 0.562E-01 0.267E-01
DAV: 3 -0.561103334899E+03 0.68980E-03 -0.18476E-03 26988 0.144E-01 0.146E-01
DAV: 4 -0.561103221888E+03 0.11301E-03 -0.10725E-03 24900 0.890E-02 0.402E-02
DAV: 5 -0.561103227097E+03 -0.52083E-05 -0.16927E-04 24792 0.393E-02 0.176E-02
DAV: 6 -0.561103234749E+03 -0.76519E-05 -0.28550E-05 22668 0.139E-02
405 F= -.56110323E+03 E0= -.56110770E+03 d E =-.725033E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561104426514E+03 -0.11994E-02 -0.47396E+00 21924 0.554E+00 0.546E-01
DAV: 2 -0.561110310620E+03 -0.58841E-02 -0.94830E-02 24114 0.729E-01 0.338E-01
DAV: 3 -0.561109158267E+03 0.11524E-02 -0.31447E-03 26712 0.187E-01 0.184E-01
DAV: 4 -0.561108960794E+03 0.19747E-03 -0.17531E-03 25500 0.115E-01 0.526E-02
DAV: 5 -0.561108967251E+03 -0.64566E-05 -0.27290E-04 24912 0.506E-02 0.226E-02
DAV: 6 -0.561108977252E+03 -0.10001E-04 -0.48146E-05 24720 0.180E-02 0.110E-02
DAV: 7 -0.561108988639E+03 -0.11387E-04 -0.61928E-06 16452 0.836E-03 0.339E-03
DAV: 8 -0.561108997864E+03 -0.92250E-05 -0.25754E-06 17760 0.435E-03
406 F= -.56110900E+03 E0= -.56111341E+03 d E =-.576312E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561107134153E+03 0.18545E-02 -0.34567E+00 21924 0.473E+00 0.465E-01
DAV: 2 -0.561111397565E+03 -0.42634E-02 -0.68901E-02 24174 0.622E-01 0.288E-01
DAV: 3 -0.561110555673E+03 0.84189E-03 -0.22865E-03 26760 0.160E-01 0.157E-01
DAV: 4 -0.561110412152E+03 0.14352E-03 -0.12815E-03 25368 0.980E-02 0.447E-02
DAV: 5 -0.561110417392E+03 -0.52399E-05 -0.19954E-04 24516 0.434E-02 0.193E-02
DAV: 6 -0.561110425332E+03 -0.79406E-05 -0.35236E-05 24120 0.155E-02
407 F= -.56111043E+03 E0= -.56111480E+03 d E =-.719058E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561110702398E+03 -0.28501E-03 -0.58715E+00 21924 0.615E+00 0.605E-01
DAV: 2 -0.561118017536E+03 -0.73151E-02 -0.11613E-01 23784 0.805E-01 0.377E-01
DAV: 3 -0.561116601634E+03 0.14159E-02 -0.38748E-03 26712 0.210E-01 0.204E-01
DAV: 4 -0.561116364342E+03 0.23729E-03 -0.20802E-03 25236 0.125E-01 0.585E-02
DAV: 5 -0.561116372884E+03 -0.85426E-05 -0.32085E-04 24492 0.538E-02 0.251E-02
DAV: 6 -0.561116382678E+03 -0.97936E-05 -0.59192E-05 25044 0.204E-02
408 F= -.56111638E+03 E0= -.56112075E+03 d E =-.595735E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561114611500E+03 0.17614E-02 -0.31164E+00 21924 0.448E+00 0.440E-01
DAV: 2 -0.561118486798E+03 -0.38753E-02 -0.61475E-02 24084 0.586E-01 0.275E-01
DAV: 3 -0.561117730352E+03 0.75645E-03 -0.20686E-03 27120 0.154E-01 0.148E-01
DAV: 4 -0.561117609771E+03 0.12058E-03 -0.11021E-03 24804 0.913E-02 0.424E-02
DAV: 5 -0.561117618648E+03 -0.88775E-05 -0.17025E-04 24156 0.391E-02 0.183E-02
DAV: 6 -0.561117627346E+03 -0.86980E-05 -0.30816E-05 24252 0.149E-02
409 F= -.56111763E+03 E0= -.56112199E+03 d E =-.720201E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561116669177E+03 0.94947E-03 -0.73668E+00 21924 0.691E+00 0.674E-01
DAV: 2 -0.561126009802E+03 -0.93406E-02 -0.14635E-01 24072 0.908E-01 0.421E-01
DAV: 3 -0.561124206471E+03 0.18033E-02 -0.47604E-03 27156 0.233E-01 0.232E-01
DAV: 4 -0.561123874993E+03 0.33148E-03 -0.26957E-03 25332 0.141E-01 0.655E-02
DAV: 5 -0.561123883790E+03 -0.87971E-05 -0.42384E-04 25176 0.613E-02 0.284E-02
DAV: 6 -0.561123894857E+03 -0.11067E-04 -0.70231E-05 24732 0.226E-02 0.133E-02
DAV: 7 -0.561123908978E+03 -0.14121E-04 -0.80154E-06 16776 0.925E-03 0.463E-03
DAV: 8 -0.561123922904E+03 -0.13925E-04 -0.39279E-06 16884 0.538E-03 0.234E-03
DAV: 9 -0.561123934649E+03 -0.11745E-04 -0.12545E-06 16788 0.373E-03 0.123E-03
DAV: 10 -0.561123949827E+03 -0.15178E-04 -0.16906E-06 16860 0.315E-03 0.156E-03
DAV: 11 -0.561123956066E+03 -0.62393E-05 -0.65598E-07 17124 0.234E-03
410 F= -.56112396E+03 E0= -.56112834E+03 d E =-.632872E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561123114885E+03 0.83494E-03 -0.16148E+00 21924 0.324E+00 0.313E-01
DAV: 2 -0.561125136422E+03 -0.20215E-02 -0.31776E-02 24120 0.424E-01 0.197E-01
DAV: 3 -0.561124742294E+03 0.39413E-03 -0.10496E-03 26556 0.109E-01 0.107E-01
DAV: 4 -0.561124674590E+03 0.67704E-04 -0.59294E-04 24960 0.663E-02 0.303E-02
DAV: 5 -0.561124676137E+03 -0.15471E-05 -0.92979E-05 25188 0.290E-02
411 F= -.56112468E+03 E0= -.56112907E+03 d E =-.704879E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561123682214E+03 0.99238E-03 -0.80201E+00 21924 0.721E+00 0.712E-01
DAV: 2 -0.561133701986E+03 -0.10020E-01 -0.16011E-01 23514 0.942E-01 0.443E-01
DAV: 3 -0.561131688052E+03 0.20139E-02 -0.52030E-03 26364 0.246E-01 0.245E-01
DAV: 4 -0.561131343454E+03 0.34460E-03 -0.32042E-03 25428 0.152E-01 0.725E-02
DAV: 5 -0.561131335051E+03 0.84032E-05 -0.51865E-04 25824 0.710E-02 0.304E-02
DAV: 6 -0.561131345530E+03 -0.10479E-04 -0.87621E-05 24360 0.245E-02 0.142E-02
DAV: 7 -0.561131357654E+03 -0.12124E-04 -0.10412E-05 17712 0.970E-03 0.482E-03
DAV: 8 -0.561131368590E+03 -0.10936E-04 -0.28624E-06 16512 0.494E-03 0.210E-03
DAV: 9 -0.561131379357E+03 -0.10767E-04 -0.10750E-06 16944 0.327E-03 0.109E-03
DAV: 10 -0.561131391431E+03 -0.12073E-04 -0.10884E-06 16368 0.279E-03 0.101E-03
DAV: 11 -0.561131398631E+03 -0.72002E-05 -0.69413E-07 17076 0.212E-03
412 F= -.56113140E+03 E0= -.56113577E+03 d E =-.672249E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561130190702E+03 0.12007E-02 -0.21674E+00 21924 0.375E+00 0.367E-01
DAV: 2 -0.561132859256E+03 -0.26686E-02 -0.42883E-02 23454 0.489E-01 0.230E-01
DAV: 3 -0.561132308937E+03 0.55032E-03 -0.14118E-03 26040 0.128E-01 0.126E-01
DAV: 4 -0.561132219794E+03 0.89143E-04 -0.86343E-04 25116 0.789E-02 0.372E-02
DAV: 5 -0.561132217745E+03 0.20483E-05 -0.13867E-04 25812 0.366E-02 0.156E-02
DAV: 6 -0.561132220479E+03 -0.27334E-05 -0.22739E-05 21672 0.126E-02
413 F= -.56113222E+03 E0= -.56113658E+03 d E =-.754434E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561132094688E+03 0.12306E-03 -0.71093E+00 21924 0.679E+00 0.677E-01
DAV: 2 -0.561140747724E+03 -0.86530E-02 -0.14138E-01 23562 0.890E-01 0.424E-01
DAV: 3 -0.561138905267E+03 0.18425E-02 -0.47113E-03 27108 0.236E-01 0.234E-01
DAV: 4 -0.561138566987E+03 0.33828E-03 -0.28355E-03 25476 0.144E-01 0.669E-02
DAV: 5 -0.561138558395E+03 0.85922E-05 -0.44186E-04 26196 0.652E-02 0.283E-02
DAV: 6 -0.561138567767E+03 -0.93722E-05 -0.77131E-05 24324 0.227E-02
414 F= -.56113857E+03 E0= -.56114290E+03 d E =-.634729E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561136439746E+03 0.21186E-02 -0.38353E+00 21924 0.499E+00 0.496E-01
DAV: 2 -0.561141090676E+03 -0.46509E-02 -0.76044E-02 23568 0.654E-01 0.312E-01
DAV: 3 -0.561140092476E+03 0.99820E-03 -0.25582E-03 27504 0.174E-01 0.171E-01
DAV: 4 -0.561139917849E+03 0.17463E-03 -0.15339E-03 25296 0.106E-01 0.490E-02
DAV: 5 -0.561139919608E+03 -0.17590E-05 -0.23997E-04 25440 0.481E-02 0.208E-02
DAV: 6 -0.561139930430E+03 -0.10822E-04 -0.41855E-05 24612 0.167E-02 0.979E-03
DAV: 7 -0.561139943192E+03 -0.12762E-04 -0.47197E-06 16284 0.680E-03 0.327E-03
DAV: 8 -0.561139954526E+03 -0.11334E-04 -0.20786E-06 17508 0.367E-03 0.168E-03
DAV: 9 -0.561139965904E+03 -0.11378E-04 -0.85764E-07 16152 0.281E-03 0.900E-04
DAV: 10 -0.561139976487E+03 -0.10584E-04 -0.97067E-07 17220 0.196E-03 0.103E-03
DAV: 11 -0.561139983042E+03 -0.65544E-05 -0.58415E-07 16512 0.204E-03
415 F= -.56113998E+03 E0= -.56114430E+03 d E =-.776256E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561139619202E+03 0.35729E-03 -0.65341E+00 21924 0.652E+00 0.649E-01
DAV: 2 -0.561147574498E+03 -0.79553E-02 -0.13171E-01 23028 0.866E-01 0.399E-01
DAV: 3 -0.561145894327E+03 0.16802E-02 -0.46665E-03 26352 0.229E-01 0.219E-01
DAV: 4 -0.561145576842E+03 0.31749E-03 -0.25611E-03 25716 0.139E-01 0.665E-02
DAV: 5 -0.561145569612E+03 0.72298E-05 -0.41128E-04 26736 0.629E-02 0.271E-02
DAV: 6 -0.561145575309E+03 -0.56965E-05 -0.67853E-05 24132 0.216E-02
416 F= -.56114558E+03 E0= -.56114989E+03 d E =-.559227E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561144660692E+03 0.90892E-03 -0.17041E+00 21924 0.333E+00 0.330E-01
DAV: 2 -0.561146723773E+03 -0.20631E-02 -0.34199E-02 23172 0.442E-01 0.204E-01
DAV: 3 -0.561146279164E+03 0.44461E-03 -0.12306E-03 27156 0.118E-01 0.111E-01
DAV: 4 -0.561146203368E+03 0.75796E-04 -0.66011E-04 25116 0.706E-02 0.333E-02
DAV: 5 -0.561146209484E+03 -0.61157E-05 -0.10622E-04 25344 0.318E-02 0.138E-02
DAV: 6 -0.561146217249E+03 -0.77650E-05 -0.16340E-05 20184 0.110E-02
417 F= -.56114622E+03 E0= -.56115052E+03 d E =-.623421E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561145898028E+03 0.31146E-03 -0.64440E+00 21924 0.648E+00 0.633E-01
DAV: 2 -0.561153847615E+03 -0.79496E-02 -0.12774E-01 23568 0.846E-01 0.399E-01
DAV: 3 -0.561152205049E+03 0.16426E-02 -0.43946E-03 27156 0.225E-01 0.220E-01
DAV: 4 -0.561151906073E+03 0.29898E-03 -0.23424E-03 25308 0.131E-01 0.636E-02
DAV: 5 -0.561151914228E+03 -0.81544E-05 -0.37430E-04 24336 0.579E-02 0.257E-02
DAV: 6 -0.561151924248E+03 -0.10020E-04 -0.57657E-05 25320 0.205E-02 0.119E-02
DAV: 7 -0.561151937120E+03 -0.12873E-04 -0.70881E-06 16428 0.829E-03 0.372E-03
DAV: 8 -0.561151947962E+03 -0.10841E-04 -0.26893E-06 17364 0.433E-03 0.190E-03
DAV: 9 -0.561151958492E+03 -0.10530E-04 -0.96246E-07 16332 0.313E-03 0.961E-04
DAV: 10 -0.561151968985E+03 -0.10493E-04 -0.10550E-06 17112 0.225E-03 0.116E-03
DAV: 11 -0.561151975086E+03 -0.61013E-05 -0.59813E-07 16716 0.224E-03
418 F= -.56115198E+03 E0= -.56115628E+03 d E =-.575784E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561148345110E+03 0.36239E-02 -0.56661E+00 21924 0.608E+00 0.594E-01
DAV: 2 -0.561155324468E+03 -0.69794E-02 -0.11223E-01 23790 0.793E-01 0.374E-01
DAV: 3 -0.561153869637E+03 0.14548E-02 -0.38306E-03 26760 0.210E-01 0.206E-01
DAV: 4 -0.561153605734E+03 0.26390E-03 -0.20610E-03 25416 0.123E-01 0.596E-02
DAV: 5 -0.561153607864E+03 -0.21306E-05 -0.32639E-04 24840 0.539E-02 0.240E-02
DAV: 6 -0.561153611968E+03 -0.41041E-05 -0.50215E-05 23916 0.193E-02
419 F= -.56115361E+03 E0= -.56115792E+03 d E =-.739472E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561154411951E+03 -0.80409E-03 -0.48257E+00 21924 0.562E+00 0.550E-01
DAV: 2 -0.561160449429E+03 -0.60375E-02 -0.96668E-02 23814 0.737E-01 0.342E-01
DAV: 3 -0.561159240041E+03 0.12094E-02 -0.31526E-03 27468 0.190E-01 0.190E-01
DAV: 4 -0.561159014970E+03 0.22507E-03 -0.17866E-03 25320 0.114E-01 0.546E-02
DAV: 5 -0.561159023202E+03 -0.82321E-05 -0.28353E-04 24714 0.501E-02 0.221E-02
DAV: 6 -0.561159031584E+03 -0.83821E-05 -0.42272E-05 24924 0.173E-02
420 F= -.56115903E+03 E0= -.56116334E+03 d E =-.541962E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561116812329E+03 0.42211E-01 -0.42442E+01 21924 0.167E+01 0.168E+00
DAV: 2 -0.561171233885E+03 -0.54422E-01 -0.87809E-01 24102 0.221E+00 0.102E+00
DAV: 3 -0.561160667855E+03 0.10566E-01 -0.27796E-02 27732 0.564E-01 0.582E-01
DAV: 4 -0.561158482171E+03 0.21857E-02 -0.15589E-02 25656 0.339E-01 0.173E-01
DAV: 5 -0.561158528715E+03 -0.46545E-04 -0.24669E-03 25584 0.147E-01 0.673E-02
DAV: 6 -0.561158562043E+03 -0.33327E-04 -0.36638E-04 24912 0.522E-02 0.300E-02
DAV: 7 -0.561158603463E+03 -0.41421E-04 -0.54573E-05 25356 0.221E-02 0.954E-03
DAV: 8 -0.561158634208E+03 -0.30745E-04 -0.99235E-06 17748 0.915E-03 0.451E-03
DAV: 9 -0.561158666859E+03 -0.32651E-04 -0.44114E-06 17736 0.657E-03 0.224E-03
DAV: 10 -0.561158698818E+03 -0.31959E-04 -0.30117E-06 18060 0.473E-03 0.189E-03
DAV: 11 -0.561158723810E+03 -0.24991E-04 -0.25902E-06 17856 0.413E-03 0.117E-03
DAV: 12 -0.561158739572E+03 -0.15763E-04 -0.18487E-06 17628 0.288E-03 0.106E-03
DAV: 13 -0.561158746156E+03 -0.65835E-05 -0.81246E-07 16716 0.205E-03
421 F= -.56115875E+03 E0= -.56116306E+03 d E =-.513419E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561151389050E+03 0.73505E-02 -0.11227E+01 21924 0.857E+00 0.818E-01
DAV: 2 -0.561165341629E+03 -0.13953E-01 -0.21891E-01 24444 0.112E+00 0.522E-01
DAV: 3 -0.561162528033E+03 0.28136E-02 -0.74345E-03 27240 0.289E-01 0.283E-01
DAV: 4 -0.561162023140E+03 0.50489E-03 -0.41733E-03 25776 0.174E-01 0.788E-02
DAV: 5 -0.561162008928E+03 0.14212E-04 -0.65859E-04 26724 0.768E-02 0.328E-02
DAV: 6 -0.561162010110E+03 -0.11815E-05 -0.98769E-05 24780 0.257E-02
422 F= -.56116201E+03 E0= -.56116632E+03 d E =-.839814E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561163653106E+03 -0.16442E-02 -0.35083E+00 21924 0.479E+00 0.469E-01
DAV: 2 -0.561168048006E+03 -0.43949E-02 -0.70813E-02 24894 0.635E-01 0.291E-01
DAV: 3 -0.561167180462E+03 0.86754E-03 -0.23653E-03 27420 0.164E-01 0.163E-01
DAV: 4 -0.561167032664E+03 0.14780E-03 -0.14162E-03 25392 0.102E-01 0.482E-02
DAV: 5 -0.561167028936E+03 0.37285E-05 -0.21196E-04 27036 0.448E-02 0.200E-02
DAV: 6 -0.561167030450E+03 -0.15147E-05 -0.41682E-05 24684 0.164E-02
423 F= -.56116703E+03 E0= -.56117134E+03 d E =-.502034E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561165745661E+03 0.12833E-02 -0.28487E+00 21924 0.432E+00 0.424E-01
DAV: 2 -0.561169323041E+03 -0.35774E-02 -0.57730E-02 24768 0.573E-01 0.264E-01
DAV: 3 -0.561168606624E+03 0.71642E-03 -0.19508E-03 27168 0.149E-01 0.148E-01
DAV: 4 -0.561168480171E+03 0.12645E-03 -0.11445E-03 25092 0.919E-02 0.435E-02
DAV: 5 -0.561168479209E+03 0.96202E-06 -0.17179E-04 26568 0.402E-02 0.181E-02
DAV: 6 -0.561168482352E+03 -0.31434E-05 -0.32726E-05 23292 0.147E-02
424 F= -.56116848E+03 E0= -.56117280E+03 d E =-.647224E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561170150887E+03 -0.16717E-02 -0.29008E+00 21924 0.438E+00 0.425E-01
DAV: 2 -0.561173727084E+03 -0.35762E-02 -0.57824E-02 24336 0.580E-01 0.268E-01
DAV: 3 -0.561172992937E+03 0.73415E-03 -0.20232E-03 27120 0.153E-01 0.150E-01
DAV: 4 -0.561172855768E+03 0.13717E-03 -0.11201E-03 25308 0.923E-02 0.437E-02
DAV: 5 -0.561172857697E+03 -0.19285E-05 -0.16549E-04 25440 0.396E-02 0.181E-02
DAV: 6 -0.561172862967E+03 -0.52705E-05 -0.32451E-05 23772 0.149E-02
425 F= -.56117286E+03 E0= -.56117718E+03 d E =-.438061E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561172061036E+03 0.79666E-03 -0.19663E+00 21924 0.361E+00 0.349E-01
DAV: 2 -0.561174481232E+03 -0.24202E-02 -0.39156E-02 24426 0.477E-01 0.221E-01
DAV: 3 -0.561173981622E+03 0.49961E-03 -0.13724E-03 27420 0.126E-01 0.123E-01
DAV: 4 -0.561173891651E+03 0.89970E-04 -0.75979E-04 25044 0.760E-02 0.359E-02
DAV: 5 -0.561173895448E+03 -0.37963E-05 -0.11225E-04 25104 0.326E-02 0.149E-02
DAV: 6 -0.561173901208E+03 -0.57604E-05 -0.21244E-05 21768 0.123E-02
426 F= -.56117390E+03 E0= -.56117822E+03 d E =-.541886E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561174720356E+03 -0.82491E-03 -0.34231E+00 21924 0.477E+00 0.460E-01
DAV: 2 -0.561178976852E+03 -0.42565E-02 -0.68686E-02 24144 0.630E-01 0.284E-01
DAV: 3 -0.561178099967E+03 0.87689E-03 -0.23499E-03 27108 0.164E-01 0.157E-01
DAV: 4 -0.561177945055E+03 0.15491E-03 -0.12755E-03 25260 0.976E-02 0.469E-02
DAV: 5 -0.561177952462E+03 -0.74070E-05 -0.19021E-04 23808 0.419E-02 0.193E-02
DAV: 6 -0.561177960280E+03 -0.78181E-05 -0.33921E-05 24144 0.162E-02
427 F= -.56117796E+03 E0= -.56118229E+03 d E =-.405907E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561177350452E+03 0.60201E-03 -0.14558E+00 21924 0.311E+00 0.299E-01
DAV: 2 -0.561179156171E+03 -0.18057E-02 -0.29154E-02 24318 0.411E-01 0.185E-01
DAV: 3 -0.561178782119E+03 0.37405E-03 -0.10055E-03 27672 0.107E-01 0.102E-01
DAV: 4 -0.561178721276E+03 0.60843E-04 -0.54269E-04 24624 0.638E-02 0.304E-02
DAV: 5 -0.561178728422E+03 -0.71464E-05 -0.81700E-05 24156 0.275E-02
428 F= -.56117873E+03 E0= -.56118307E+03 d E =-.482721E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561179815598E+03 -0.10943E-02 -0.25168E+00 21924 0.408E+00 0.394E-01
DAV: 2 -0.561182989453E+03 -0.31739E-02 -0.49979E-02 25068 0.537E-01 0.248E-01
DAV: 3 -0.561182356842E+03 0.63261E-03 -0.17040E-03 27636 0.140E-01 0.136E-01
DAV: 4 -0.561182247969E+03 0.10887E-03 -0.87884E-04 24612 0.815E-02 0.387E-02
DAV: 5 -0.561182256054E+03 -0.80846E-05 -0.13420E-04 24696 0.342E-02 0.159E-02
DAV: 6 -0.561182262455E+03 -0.64015E-05 -0.21414E-05 20280 0.132E-02
429 F= -.56118226E+03 E0= -.56118662E+03 d E =-.353403E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561182185165E+03 0.70889E-04 -0.38633E-01 21924 0.160E+00 0.154E-01
DAV: 2 -0.561182670565E+03 -0.48540E-03 -0.76700E-03 25644 0.211E-01 0.978E-02
DAV: 3 -0.561182573012E+03 0.97553E-04 -0.26720E-04 27732 0.555E-02 0.533E-02
DAV: 4 -0.561182560618E+03 0.12394E-04 -0.13570E-04 24324 0.320E-02 0.151E-02
DAV: 5 -0.561182564630E+03 -0.40118E-05 -0.20332E-05 21348 0.135E-02
430 F= -.56118256E+03 E0= -.56118693E+03 d E =-.383621E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561183701475E+03 -0.11409E-02 -0.21347E+00 21924 0.377E+00 0.369E-01
DAV: 2 -0.561186368208E+03 -0.26667E-02 -0.43495E-02 25170 0.504E-01 0.229E-01
DAV: 3 -0.561185806032E+03 0.56218E-03 -0.15393E-03 27204 0.130E-01 0.125E-01
DAV: 4 -0.561185703242E+03 0.10279E-03 -0.77100E-04 25260 0.763E-02 0.373E-02
DAV: 5 -0.561185707512E+03 -0.42695E-05 -0.11834E-04 23508 0.327E-02 0.149E-02
DAV: 6 -0.561185711465E+03 -0.39532E-05 -0.18144E-05 19044 0.120E-02
431 F= -.56118571E+03 E0= -.56119007E+03 d E =-.314684E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561185598034E+03 0.10948E-03 -0.62305E-01 21924 0.204E+00 0.199E-01
DAV: 2 -0.561186371625E+03 -0.77359E-03 -0.12690E-02 25488 0.272E-01 0.124E-01
DAV: 3 -0.561186204609E+03 0.16702E-03 -0.45294E-04 27492 0.709E-02 0.675E-02
DAV: 4 -0.561186177737E+03 0.26872E-04 -0.22560E-04 24336 0.412E-02 0.201E-02
DAV: 5 -0.561186181671E+03 -0.39340E-05 -0.33884E-05 21660 0.176E-02
432 F= -.56118618E+03 E0= -.56119054E+03 d E =-.361704E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561187454489E+03 -0.12768E-02 -0.18114E+00 21924 0.348E+00 0.333E-01
DAV: 2 -0.561189707149E+03 -0.22527E-02 -0.36224E-02 24960 0.461E-01 0.211E-01
DAV: 3 -0.561189242118E+03 0.46503E-03 -0.12831E-03 27732 0.120E-01 0.117E-01
DAV: 4 -0.561189161715E+03 0.80403E-04 -0.68260E-04 24828 0.717E-02 0.344E-02
DAV: 5 -0.561189164921E+03 -0.32065E-05 -0.10489E-04 24156 0.314E-02 0.141E-02
DAV: 6 -0.561189168601E+03 -0.36796E-05 -0.17674E-05 19428 0.118E-02
433 F= -.56118917E+03 E0= -.56119353E+03 d E =-.298693E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561189146110E+03 0.18811E-04 -0.35906E-01 21924 0.155E+00 0.148E-01
DAV: 2 -0.561189589134E+03 -0.44302E-03 -0.71821E-03 25464 0.205E-01 0.943E-02
DAV: 3 -0.561189496724E+03 0.92410E-04 -0.25873E-04 28044 0.537E-02 0.522E-02
DAV: 4 -0.561189483849E+03 0.12875E-04 -0.13597E-04 23988 0.320E-02 0.153E-02
DAV: 5 -0.561189486505E+03 -0.26557E-05 -0.20076E-05 20424 0.141E-02
434 F= -.56118949E+03 E0= -.56119384E+03 d E =-.330483E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561189935471E+03 -0.45162E-03 -0.19631E+00 21924 0.363E+00 0.341E-01
DAV: 2 -0.561192516990E+03 -0.25815E-02 -0.39340E-02 24678 0.479E-01 0.218E-01
DAV: 3 -0.561192029366E+03 0.48762E-03 -0.12862E-03 26976 0.121E-01 0.122E-01
DAV: 4 -0.561191932304E+03 0.97062E-04 -0.70217E-04 25416 0.724E-02 0.339E-02
DAV: 5 -0.561191936102E+03 -0.37983E-05 -0.10888E-04 25776 0.308E-02 0.145E-02
DAV: 6 -0.561191939663E+03 -0.35611E-05 -0.15241E-05 19248 0.109E-02
435 F= -.56119194E+03 E0= -.56119630E+03 d E =-.245316E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561191935100E+03 0.10025E-05 -0.49226E-02 21960 0.575E-01 0.541E-02
DAV: 2 -0.561192001887E+03 -0.66787E-04 -0.99699E-04 26388 0.763E-02 0.348E-02
DAV: 3 -0.561191990732E+03 0.11155E-04 -0.31690E-05 24156 0.194E-02 0.195E-02
DAV: 4 -0.561191991771E+03 -0.10393E-05 -0.19415E-05 19356 0.122E-02
436 F= -.56119199E+03 E0= -.56119636E+03 d E =-.250527E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561192945999E+03 -0.95527E-03 -0.15260E+00 21924 0.321E+00 0.310E-01
DAV: 2 -0.561194766214E+03 -0.18202E-02 -0.29900E-02 24876 0.419E-01 0.193E-01
DAV: 3 -0.561194362112E+03 0.40410E-03 -0.10654E-03 27036 0.112E-01 0.105E-01
DAV: 4 -0.561194300194E+03 0.61919E-04 -0.59405E-04 24792 0.651E-02 0.316E-02
DAV: 5 -0.561194302868E+03 -0.26738E-05 -0.82661E-05 23988 0.277E-02
437 F= -.56119430E+03 E0= -.56119865E+03 d E =-.231110E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561194323777E+03 -0.23583E-04 -0.14422E-01 21924 0.986E-01 0.955E-02
DAV: 2 -0.561194501472E+03 -0.17769E-03 -0.28273E-03 25572 0.129E-01 0.596E-02
DAV: 3 -0.561194465620E+03 0.35852E-04 -0.97777E-05 28152 0.340E-02 0.325E-02
DAV: 4 -0.561194464286E+03 0.13342E-05 -0.57327E-05 23412 0.203E-02
438 F= -.56119446E+03 E0= -.56119881E+03 d E =-.247252E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561195559565E+03 -0.10939E-02 -0.10676E+00 21924 0.270E+00 0.265E-01
DAV: 2 -0.561196833139E+03 -0.12736E-02 -0.21273E-02 26004 0.356E-01 0.166E-01
DAV: 3 -0.561196556786E+03 0.27635E-03 -0.77735E-04 27240 0.938E-02 0.913E-02
DAV: 4 -0.561196513233E+03 0.43553E-04 -0.41891E-04 24804 0.560E-02 0.264E-02
DAV: 5 -0.561196514908E+03 -0.16755E-05 -0.57394E-05 24264 0.239E-02
439 F= -.56119651E+03 E0= -.56120085E+03 d E =-.205062E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561196572252E+03 -0.59019E-04 -0.11602E-01 21924 0.889E-01 0.870E-02
DAV: 2 -0.561196717488E+03 -0.14524E-03 -0.23166E-03 26448 0.117E-01 0.551E-02
DAV: 3 -0.561196689324E+03 0.28165E-04 -0.81181E-05 27396 0.306E-02 0.303E-02
DAV: 4 -0.561196688398E+03 0.92518E-06 -0.46964E-05 23640 0.187E-02
440 F= -.56119669E+03 E0= -.56120101E+03 d E =-.222411E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561197757094E+03 -0.10678E-02 -0.88874E-01 21924 0.246E+00 0.244E-01
DAV: 2 -0.561198818469E+03 -0.10614E-02 -0.17862E-02 25374 0.326E-01 0.148E-01
DAV: 3 -0.561198598161E+03 0.22031E-03 -0.69057E-04 26952 0.854E-02 0.806E-02
DAV: 4 -0.561198562117E+03 0.36044E-04 -0.29954E-04 25212 0.479E-02 0.249E-02
DAV: 5 -0.561198565407E+03 -0.32906E-05 -0.43072E-05 22836 0.201E-02
441 F= -.56119857E+03 E0= -.56120290E+03 d E =-.187701E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561198545284E+03 0.16833E-04 -0.33231E-01 21924 0.150E+00 0.149E-01
DAV: 2 -0.561198945657E+03 -0.40037E-03 -0.66593E-03 25740 0.199E-01 0.903E-02
DAV: 3 -0.561198864119E+03 0.81538E-04 -0.25303E-04 27636 0.515E-02 0.491E-02
DAV: 4 -0.561198853451E+03 0.10668E-04 -0.11147E-04 23844 0.291E-02 0.149E-02
DAV: 5 -0.561198856843E+03 -0.33914E-05 -0.14947E-05 18636 0.124E-02
442 F= -.56119886E+03 E0= -.56120320E+03 d E =-.216844E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561199609571E+03 -0.75612E-03 -0.10427E+00 21924 0.266E+00 0.256E-01
DAV: 2 -0.561200893577E+03 -0.12840E-02 -0.20317E-02 25308 0.346E-01 0.162E-01
DAV: 3 -0.561200642638E+03 0.25094E-03 -0.73036E-04 27780 0.905E-02 0.886E-02
DAV: 4 -0.561200600203E+03 0.42436E-04 -0.33985E-04 23988 0.506E-02 0.251E-02
DAV: 5 -0.561200604336E+03 -0.41333E-05 -0.53460E-05 24984 0.217E-02
443 F= -.56120060E+03 E0= -.56120495E+03 d E =-.174749E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561200557701E+03 0.42502E-04 -0.25607E-01 21924 0.132E+00 0.127E-01
DAV: 2 -0.561200878447E+03 -0.32075E-03 -0.49951E-03 25788 0.172E-01 0.806E-02
DAV: 3 -0.561200819031E+03 0.59417E-04 -0.17594E-04 27924 0.444E-02 0.440E-02
DAV: 4 -0.561200811242E+03 0.77885E-05 -0.83919E-05 23868 0.252E-02
444 F= -.56120081E+03 E0= -.56120516E+03 d E =-.195440E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561201938493E+03 -0.11195E-02 -0.84775E-01 21924 0.240E+00 0.228E-01
DAV: 2 -0.561202973726E+03 -0.10352E-02 -0.16290E-02 24624 0.311E-01 0.145E-01
DAV: 3 -0.561202770022E+03 0.20370E-03 -0.57701E-04 27060 0.817E-02 0.797E-02
DAV: 4 -0.561202736329E+03 0.33692E-04 -0.29286E-04 24828 0.472E-02 0.232E-02
DAV: 5 -0.561202737643E+03 -0.13133E-05 -0.44000E-05 23100 0.203E-02
445 F= -.56120274E+03 E0= -.56120707E+03 d E =-.192640E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561202956692E+03 -0.22036E-03 -0.50463E-01 21924 0.185E+00 0.175E-01
DAV: 2 -0.561203573739E+03 -0.61705E-03 -0.96708E-03 24624 0.240E-01 0.111E-01
DAV: 3 -0.561203453002E+03 0.12074E-03 -0.33502E-04 27528 0.622E-02 0.610E-02
DAV: 4 -0.561203434442E+03 0.18560E-04 -0.17424E-04 24456 0.363E-02 0.174E-02
DAV: 5 -0.561203435921E+03 -0.14795E-05 -0.25067E-05 19704 0.158E-02
446 F= -.56120344E+03 E0= -.56120775E+03 d E =-.262468E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561203409412E+03 0.25030E-04 -0.12562E-01 21924 0.924E-01 0.874E-02
DAV: 2 -0.561203563780E+03 -0.15437E-03 -0.24039E-03 25416 0.120E-01 0.554E-02
DAV: 3 -0.561203534082E+03 0.29698E-04 -0.82623E-05 28428 0.309E-02 0.304E-02
DAV: 4 -0.561203531000E+03 0.30822E-05 -0.43244E-05 22512 0.181E-02
447 F= -.56120353E+03 E0= -.56120784E+03 d E =-.271976E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561204558001E+03 -0.10239E-02 -0.10183E+00 21924 0.263E+00 0.250E-01
DAV: 2 -0.561205768963E+03 -0.12110E-02 -0.19480E-02 25344 0.341E-01 0.157E-01
DAV: 3 -0.561205516358E+03 0.25261E-03 -0.67994E-04 27084 0.884E-02 0.875E-02
DAV: 4 -0.561205475810E+03 0.40548E-04 -0.39956E-04 25044 0.543E-02 0.256E-02
DAV: 5 -0.561205475937E+03 -0.12759E-06 -0.57162E-05 23532 0.241E-02
448 F= -.56120548E+03 E0= -.56120978E+03 d E =-.194494E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561205586215E+03 -0.11041E-03 -0.37216E-01 21924 0.159E+00 0.151E-01
DAV: 2 -0.561206035140E+03 -0.44892E-03 -0.71142E-03 25524 0.206E-01 0.951E-02
DAV: 3 -0.561205943882E+03 0.91258E-04 -0.24348E-04 27900 0.530E-02 0.527E-02
DAV: 4 -0.561205931666E+03 0.12215E-04 -0.14702E-04 24132 0.328E-02 0.153E-02
DAV: 5 -0.561205932942E+03 -0.12756E-05 -0.20006E-05 19812 0.149E-02
449 F= -.56120593E+03 E0= -.56121024E+03 d E =-.240194E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561207006484E+03 -0.10748E-02 -0.90014E-01 21924 0.248E+00 0.234E-01
DAV: 2 -0.561208088114E+03 -0.10816E-02 -0.17173E-02 25680 0.322E-01 0.151E-01
DAV: 3 -0.561207867036E+03 0.22108E-03 -0.66248E-04 27540 0.856E-02 0.827E-02
DAV: 4 -0.561207830868E+03 0.36167E-04 -0.30925E-04 24480 0.480E-02 0.234E-02
DAV: 5 -0.561207832156E+03 -0.12877E-05 -0.46406E-05 24072 0.217E-02
450 F= -.56120783E+03 E0= -.56121214E+03 d E =-.189921E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561207860070E+03 -0.29202E-04 -0.12254E-01 21924 0.916E-01 0.868E-02
DAV: 2 -0.561208010728E+03 -0.15066E-03 -0.23381E-03 26196 0.119E-01 0.560E-02
DAV: 3 -0.561207982131E+03 0.28597E-04 -0.89437E-05 27732 0.315E-02 0.306E-02
DAV: 4 -0.561207979303E+03 0.28279E-05 -0.41533E-05 23736 0.177E-02
451 F= -.56120798E+03 E0= -.56121229E+03 d E =-.204636E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561208563891E+03 -0.58176E-03 -0.83897E-01 21924 0.239E+00 0.232E-01
DAV: 2 -0.561209555386E+03 -0.99150E-03 -0.16341E-02 25242 0.312E-01 0.142E-01
DAV: 3 -0.561209347964E+03 0.20742E-03 -0.62182E-04 27096 0.816E-02 0.773E-02
DAV: 4 -0.561209316712E+03 0.31252E-04 -0.28230E-04 25308 0.458E-02 0.233E-02
DAV: 5 -0.561209318651E+03 -0.19396E-05 -0.40986E-05 22188 0.194E-02
452 F= -.56120932E+03 E0= -.56121363E+03 d E =-.133935E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561209353381E+03 -0.36669E-04 -0.10343E-01 21924 0.840E-01 0.817E-02
DAV: 2 -0.561209477074E+03 -0.12369E-03 -0.20049E-03 25548 0.109E-01 0.500E-02
DAV: 3 -0.561209452384E+03 0.24690E-04 -0.75608E-05 28572 0.284E-02 0.270E-02
DAV: 4 -0.561209450640E+03 0.17436E-05 -0.33531E-05 21240 0.160E-02
453 F= -.56120945E+03 E0= -.56121376E+03 d E =-.147134E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561210413264E+03 -0.96088E-03 -0.39344E-01 21924 0.164E+00 0.153E-01
DAV: 2 -0.561210896583E+03 -0.48332E-03 -0.75972E-03 24774 0.213E-01 0.975E-02
DAV: 3 -0.561210802693E+03 0.93890E-04 -0.27066E-04 26952 0.547E-02 0.541E-02
DAV: 4 -0.561210786412E+03 0.16281E-04 -0.13651E-04 23964 0.321E-02 0.154E-02
DAV: 5 -0.561210788198E+03 -0.17860E-05 -0.19824E-05 19344 0.134E-02
454 F= -.56121079E+03 E0= -.56121508E+03 d E =-.133756E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561210848108E+03 -0.61696E-04 -0.41103E-01 21924 0.167E+00 0.156E-01
DAV: 2 -0.561211354279E+03 -0.50617E-03 -0.79334E-03 24996 0.217E-01 0.992E-02
DAV: 3 -0.561211256360E+03 0.97919E-04 -0.27780E-04 26964 0.553E-02 0.550E-02
DAV: 4 -0.561211239677E+03 0.16683E-04 -0.14379E-04 23856 0.328E-02 0.155E-02
DAV: 5 -0.561211241577E+03 -0.19002E-05 -0.20659E-05 19356 0.138E-02
455 F= -.56121124E+03 E0= -.56121553E+03 d E =-.179094E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561212037239E+03 -0.79756E-03 -0.22048E-01 21924 0.123E+00 0.112E-01
DAV: 2 -0.561212321644E+03 -0.28441E-03 -0.42288E-03 25296 0.158E-01 0.720E-02
DAV: 3 -0.561212274133E+03 0.47511E-04 -0.13625E-04 27876 0.396E-02 0.402E-02
DAV: 4 -0.561212267257E+03 0.68755E-05 -0.74355E-05 23028 0.237E-02
456 F= -.56121227E+03 E0= -.56121656E+03 d E =-.102568E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561212744162E+03 -0.47003E-03 -0.16351E-01 21924 0.106E+00 0.979E-02
DAV: 2 -0.561212957839E+03 -0.21368E-03 -0.31610E-03 25344 0.137E-01 0.626E-02
DAV: 3 -0.561212923091E+03 0.34747E-04 -0.10368E-04 28128 0.348E-02 0.353E-02
DAV: 4 -0.561212918150E+03 0.49408E-05 -0.56105E-05 22224 0.207E-02
457 F= -.56121292E+03 E0= -.56121721E+03 d E =-.167657E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561212885719E+03 0.37373E-04 -0.65249E-01 21924 0.211E+00 0.194E-01
DAV: 2 -0.561213724507E+03 -0.83879E-03 -0.12561E-02 24624 0.273E-01 0.124E-01
DAV: 3 -0.561213583419E+03 0.14109E-03 -0.41250E-04 27084 0.690E-02 0.697E-02
DAV: 4 -0.561213557408E+03 0.26012E-04 -0.22002E-04 23928 0.410E-02 0.197E-02
DAV: 5 -0.561213559283E+03 -0.18756E-05 -0.32175E-05 20076 0.171E-02
458 F= -.56121356E+03 E0= -.56121786E+03 d E =-.231771E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561214606593E+03 -0.10492E-02 -0.46635E-01 21924 0.178E+00 0.166E-01
DAV: 2 -0.561215218012E+03 -0.61142E-03 -0.92254E-03 25236 0.233E-01 0.104E-01
DAV: 3 -0.561215113495E+03 0.10452E-03 -0.30438E-04 26940 0.567E-02 0.571E-02
DAV: 4 -0.561215094439E+03 0.19056E-04 -0.14210E-04 24852 0.330E-02 0.157E-02
DAV: 5 -0.561215096748E+03 -0.23094E-05 -0.20931E-05 19044 0.140E-02
459 F= -.56121510E+03 E0= -.56121941E+03 d E =-.153746E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561215109423E+03 -0.14984E-04 -0.56841E-01 21924 0.197E+00 0.183E-01
DAV: 2 -0.561215850934E+03 -0.74151E-03 -0.11235E-02 25272 0.257E-01 0.115E-01
DAV: 3 -0.561215722183E+03 0.12875E-03 -0.37366E-04 27012 0.628E-02 0.629E-02
DAV: 4 -0.561215698290E+03 0.23892E-04 -0.17160E-04 24984 0.363E-02 0.174E-02
DAV: 5 -0.561215701377E+03 -0.30866E-05 -0.25377E-05 19032 0.153E-02
460 F= -.56121570E+03 E0= -.56122002E+03 d E =-.214209E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561216680493E+03 -0.98220E-03 -0.42805E-01 21924 0.170E+00 0.157E-01
DAV: 2 -0.561217206510E+03 -0.52602E-03 -0.79453E-03 25332 0.218E-01 0.101E-01
DAV: 3 -0.561217114500E+03 0.92010E-04 -0.27724E-04 27396 0.557E-02 0.552E-02
DAV: 4 -0.561217101381E+03 0.13119E-04 -0.13176E-04 24060 0.317E-02 0.149E-02
DAV: 5 -0.561217103709E+03 -0.23282E-05 -0.19108E-05 19872 0.141E-02
461 F= -.56121710E+03 E0= -.56122142E+03 d E =-.140233E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561216233599E+03 0.86778E-03 -0.24443E+00 21924 0.407E+00 0.377E-01
DAV: 2 -0.561219210447E+03 -0.29768E-02 -0.45448E-02 25044 0.520E-01 0.242E-01
DAV: 3 -0.561218678072E+03 0.53238E-03 -0.15984E-03 26988 0.134E-01 0.132E-01
DAV: 4 -0.561218583355E+03 0.94717E-04 -0.74972E-04 25020 0.759E-02 0.360E-02
DAV: 5 -0.561218584926E+03 -0.15709E-05 -0.11512E-04 24216 0.335E-02 0.145E-02
DAV: 6 -0.561218588378E+03 -0.34516E-05 -0.23082E-05 20544 0.136E-02
462 F= -.56121859E+03 E0= -.56122289E+03 d E =-.288700E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561219743872E+03 -0.11589E-02 -0.70638E-01 21924 0.219E+00 0.200E-01
DAV: 2 -0.561220623170E+03 -0.87930E-03 -0.13196E-02 25818 0.281E-01 0.128E-01
DAV: 3 -0.561220467112E+03 0.15606E-03 -0.43049E-04 27480 0.698E-02 0.713E-02
DAV: 4 -0.561220442049E+03 0.25063E-04 -0.23233E-04 23604 0.416E-02 0.191E-02
DAV: 5 -0.561220445154E+03 -0.31052E-05 -0.37693E-05 22764 0.187E-02
463 F= -.56122045E+03 E0= -.56122475E+03 d E =-.185678E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561219712622E+03 0.72943E-03 -0.19637E+00 21924 0.365E+00 0.334E-01
DAV: 2 -0.561222160226E+03 -0.24476E-02 -0.36651E-02 25686 0.468E-01 0.213E-01
DAV: 3 -0.561221729610E+03 0.43062E-03 -0.11802E-03 27012 0.116E-01 0.119E-01
DAV: 4 -0.561221654062E+03 0.75548E-04 -0.64633E-04 24816 0.694E-02 0.318E-02
DAV: 5 -0.561221657696E+03 -0.36335E-05 -0.10619E-04 23784 0.312E-02 0.133E-02
DAV: 6 -0.561221660903E+03 -0.32074E-05 -0.15380E-05 17676 0.114E-02
464 F= -.56122166E+03 E0= -.56122596E+03 d E =-.307253E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561222585799E+03 -0.92810E-03 -0.10842E+00 21924 0.271E+00 0.247E-01
DAV: 2 -0.561224006541E+03 -0.14207E-02 -0.20731E-02 24840 0.349E-01 0.159E-01
DAV: 3 -0.561223761313E+03 0.24523E-03 -0.63218E-04 26940 0.849E-02 0.888E-02
DAV: 4 -0.561223717113E+03 0.44200E-04 -0.35960E-04 23904 0.513E-02 0.230E-02
DAV: 5 -0.561223720868E+03 -0.37547E-05 -0.60791E-05 23868 0.226E-02
465 F= -.56122372E+03 E0= -.56122802E+03 d E =-.205996E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561223108509E+03 0.60860E-03 -0.13105E+00 21924 0.298E+00 0.271E-01
DAV: 2 -0.561224834345E+03 -0.17258E-02 -0.25026E-02 24852 0.384E-01 0.175E-01
DAV: 3 -0.561224541621E+03 0.29272E-03 -0.75734E-04 27096 0.928E-02 0.976E-02
DAV: 4 -0.561224487792E+03 0.53829E-04 -0.42948E-04 24060 0.562E-02 0.252E-02
DAV: 5 -0.561224492814E+03 -0.50216E-05 -0.72628E-05 24180 0.247E-02
466 F= -.56122449E+03 E0= -.56122880E+03 d E =-.283191E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561225610070E+03 -0.11223E-02 -0.77643E-01 21924 0.230E+00 0.210E-01
DAV: 2 -0.561226593184E+03 -0.98311E-03 -0.14471E-02 24672 0.293E-01 0.136E-01
DAV: 3 -0.561226425314E+03 0.16787E-03 -0.46038E-04 27660 0.730E-02 0.746E-02
DAV: 4 -0.561226400325E+03 0.24989E-04 -0.23966E-04 23316 0.417E-02 0.193E-02
DAV: 5 -0.561226404741E+03 -0.44160E-05 -0.39790E-05 23592 0.185E-02
467 F= -.56122640E+03 E0= -.56123071E+03 d E =-.191193E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561224059810E+03 0.23405E-02 -0.42469E+00 21924 0.537E+00 0.492E-01
DAV: 2 -0.561229399143E+03 -0.53393E-02 -0.79452E-02 24474 0.687E-01 0.318E-01
DAV: 3 -0.561228466698E+03 0.93245E-03 -0.25417E-03 27096 0.172E-01 0.175E-01
DAV: 4 -0.561228298275E+03 0.16842E-03 -0.13136E-03 24420 0.977E-02 0.458E-02
DAV: 5 -0.561228306343E+03 -0.80683E-05 -0.22123E-04 23760 0.434E-02 0.194E-02
DAV: 6 -0.561228312117E+03 -0.57740E-05 -0.27855E-05 22824 0.154E-02
468 F= -.56122831E+03 E0= -.56123261E+03 d E =-.381930E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561229563230E+03 -0.12569E-02 -0.13029E+00 21924 0.296E+00 0.280E-01
DAV: 2 -0.561231041438E+03 -0.14782E-02 -0.24147E-02 25476 0.379E-01 0.178E-01
DAV: 3 -0.561230726339E+03 0.31510E-03 -0.86181E-04 27012 0.980E-02 0.955E-02
DAV: 4 -0.561230676826E+03 0.49513E-04 -0.41300E-04 24048 0.551E-02 0.262E-02
DAV: 5 -0.561230683070E+03 -0.62439E-05 -0.67663E-05 23820 0.245E-02
469 F= -.56123068E+03 E0= -.56123497E+03 d E =-.237095E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561229815599E+03 0.86123E-03 -0.24317E+00 21924 0.405E+00 0.384E-01
DAV: 2 -0.561232575452E+03 -0.27599E-02 -0.44957E-02 25416 0.517E-01 0.242E-01
DAV: 3 -0.561231994018E+03 0.58143E-03 -0.15935E-03 26976 0.133E-01 0.130E-01
DAV: 4 -0.561231898762E+03 0.95255E-04 -0.76153E-04 24444 0.749E-02 0.358E-02
DAV: 5 -0.561231906900E+03 -0.81378E-05 -0.12384E-04 23736 0.334E-02 0.147E-02
DAV: 6 -0.561231913671E+03 -0.67705E-05 -0.17584E-05 19092 0.129E-02
470 F= -.56123191E+03 E0= -.56123619E+03 d E =-.360155E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561233152712E+03 -0.12458E-02 -0.17505E+00 21924 0.342E+00 0.326E-01
DAV: 2 -0.561235116045E+03 -0.19633E-02 -0.32308E-02 24924 0.439E-01 0.206E-01
DAV: 3 -0.561234679525E+03 0.43652E-03 -0.11616E-03 26892 0.112E-01 0.109E-01
DAV: 4 -0.561234611616E+03 0.67909E-04 -0.53771E-04 24252 0.624E-02 0.300E-02
DAV: 5 -0.561234619358E+03 -0.77420E-05 -0.83545E-05 24108 0.268E-02
471 F= -.56123462E+03 E0= -.56123889E+03 d E =-.270569E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561233717029E+03 0.89459E-03 -0.23425E+00 21924 0.396E+00 0.378E-01
DAV: 2 -0.561236360679E+03 -0.26436E-02 -0.43218E-02 25086 0.507E-01 0.239E-01
DAV: 3 -0.561235781917E+03 0.57876E-03 -0.15379E-03 26964 0.128E-01 0.127E-01
DAV: 4 -0.561235691148E+03 0.90768E-04 -0.71868E-04 24360 0.721E-02 0.347E-02
DAV: 5 -0.561235700606E+03 -0.94577E-05 -0.11153E-04 24072 0.311E-02 0.143E-02
DAV: 6 -0.561235709746E+03 -0.91394E-05 -0.16924E-05 18612 0.122E-02
472 F= -.56123571E+03 E0= -.56123997E+03 d E =-.379607E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561236606866E+03 -0.90626E-03 -0.21220E+00 21924 0.377E+00 0.359E-01
DAV: 2 -0.561238980325E+03 -0.23735E-02 -0.39197E-02 24534 0.483E-01 0.227E-01
DAV: 3 -0.561238459832E+03 0.52049E-03 -0.13858E-03 27120 0.124E-01 0.120E-01
DAV: 4 -0.561238377066E+03 0.82766E-04 -0.65655E-04 24000 0.687E-02 0.326E-02
DAV: 5 -0.561238387503E+03 -0.10437E-04 -0.10158E-04 24420 0.295E-02 0.139E-02
DAV: 6 -0.561238395307E+03 -0.78037E-05 -0.13957E-05 17688 0.116E-02
473 F= -.56123840E+03 E0= -.56124266E+03 d E =-.268556E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561237693815E+03 0.69369E-03 -0.17687E+00 21924 0.344E+00 0.327E-01
DAV: 2 -0.561239670382E+03 -0.19766E-02 -0.32691E-02 24438 0.441E-01 0.207E-01
DAV: 3 -0.561239236445E+03 0.43394E-03 -0.11579E-03 27060 0.113E-01 0.110E-01
DAV: 4 -0.561239166947E+03 0.69498E-04 -0.55044E-04 23952 0.629E-02 0.297E-02
DAV: 5 -0.561239175631E+03 -0.86839E-05 -0.85312E-05 24120 0.272E-02
474 F= -.56123918E+03 E0= -.56124344E+03 d E =-.346589E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561239822816E+03 -0.65587E-03 -0.27288E+00 21924 0.428E+00 0.403E-01
DAV: 2 -0.561242922434E+03 -0.30996E-02 -0.49990E-02 24132 0.546E-01 0.254E-01
DAV: 3 -0.561242289959E+03 0.63248E-03 -0.17553E-03 27036 0.138E-01 0.133E-01
DAV: 4 -0.561242192334E+03 0.97625E-04 -0.77969E-04 24252 0.757E-02 0.356E-02
DAV: 5 -0.561242203788E+03 -0.11454E-04 -0.11954E-04 23976 0.313E-02 0.153E-02
DAV: 6 -0.561242212329E+03 -0.85418E-05 -0.16808E-05 18492 0.126E-02
475 F= -.56124221E+03 E0= -.56124648E+03 d E =-.303670E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561240088774E+03 0.21150E-02 -0.39326E+00 21924 0.514E+00 0.485E-01
DAV: 2 -0.561244524777E+03 -0.44360E-02 -0.72222E-02 24120 0.656E-01 0.305E-01
DAV: 3 -0.561243601378E+03 0.92340E-03 -0.25633E-03 27036 0.167E-01 0.160E-01
DAV: 4 -0.561243452485E+03 0.14889E-03 -0.11263E-03 24456 0.911E-02 0.434E-02
DAV: 5 -0.561243466881E+03 -0.14396E-04 -0.17440E-04 23808 0.375E-02 0.185E-02
DAV: 6 -0.561243476951E+03 -0.10070E-04 -0.24993E-05 21252 0.152E-02 0.788E-03
DAV: 7 -0.561243488036E+03 -0.11086E-04 -0.42821E-06 16656 0.644E-03 0.290E-03
DAV: 8 -0.561243497938E+03 -0.99017E-05 -0.20522E-06 16860 0.381E-03
476 F= -.56124350E+03 E0= -.56124776E+03 d E =-.432231E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561243668783E+03 -0.18075E-03 -0.34923E+00 21924 0.483E+00 0.452E-01
DAV: 2 -0.561247570018E+03 -0.39012E-02 -0.63448E-02 23928 0.615E-01 0.286E-01
DAV: 3 -0.561246758363E+03 0.81166E-03 -0.23137E-03 26904 0.157E-01 0.150E-01
DAV: 4 -0.561246627224E+03 0.13114E-03 -0.98549E-04 24660 0.855E-02 0.414E-02
DAV: 5 -0.561246637890E+03 -0.10666E-04 -0.15015E-04 23868 0.352E-02 0.177E-02
DAV: 6 -0.561246646299E+03 -0.84089E-05 -0.22699E-05 21012 0.144E-02
477 F= -.56124665E+03 E0= -.56125091E+03 d E =-.314836E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561245943900E+03 0.69399E-03 -0.15209E+00 21924 0.319E+00 0.298E-01
DAV: 2 -0.561247650057E+03 -0.17062E-02 -0.27642E-02 24198 0.406E-01 0.189E-01
DAV: 3 -0.561247292558E+03 0.35750E-03 -0.10125E-03 27096 0.104E-01 0.989E-02
DAV: 4 -0.561247239792E+03 0.52766E-04 -0.43246E-04 23820 0.565E-02 0.272E-02
DAV: 5 -0.561247248830E+03 -0.90382E-05 -0.66482E-05 24276 0.234E-02
478 F= -.56124725E+03 E0= -.56125151E+03 d E =-.375089E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561246967427E+03 0.27236E-03 -0.41891E+00 21924 0.529E+00 0.503E-01
DAV: 2 -0.561251563250E+03 -0.45958E-02 -0.77308E-02 23814 0.679E-01 0.315E-01
DAV: 3 -0.561250549295E+03 0.10140E-02 -0.28481E-03 27132 0.177E-01 0.166E-01
DAV: 4 -0.561250389719E+03 0.15958E-03 -0.13173E-03 24444 0.984E-02 0.473E-02
DAV: 5 -0.561250403454E+03 -0.13735E-04 -0.20077E-04 23880 0.427E-02 0.203E-02
DAV: 6 -0.561250415117E+03 -0.11663E-04 -0.34338E-05 23988 0.168E-02 0.876E-03
DAV: 7 -0.561250426277E+03 -0.11160E-04 -0.43490E-06 16608 0.722E-03 0.310E-03
DAV: 8 -0.561250436572E+03 -0.10295E-04 -0.23554E-06 16956 0.415E-03 0.188E-03
DAV: 9 -0.561250444240E+03 -0.76682E-05 -0.68277E-07 16608 0.305E-03
479 F= -.56125044E+03 E0= -.56125470E+03 d E =-.319541E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561249851544E+03 0.58503E-03 -0.12899E+00 21924 0.294E+00 0.277E-01
DAV: 2 -0.561251252549E+03 -0.14010E-02 -0.23710E-02 24156 0.376E-01 0.175E-01
DAV: 3 -0.561250935464E+03 0.31708E-03 -0.88498E-04 26508 0.986E-02 0.917E-02
DAV: 4 -0.561250887637E+03 0.47827E-04 -0.40601E-04 24288 0.545E-02 0.260E-02
DAV: 5 -0.561250892833E+03 -0.51954E-05 -0.62028E-05 23664 0.237E-02
480 F= -.56125089E+03 E0= -.56125514E+03 d E =-.364400E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561250366017E+03 0.52162E-03 -0.47713E+00 21924 0.565E+00 0.534E-01
DAV: 2 -0.561255691654E+03 -0.53256E-02 -0.87843E-02 23472 0.723E-01 0.336E-01
DAV: 3 -0.561254560575E+03 0.11311E-02 -0.31779E-03 26964 0.185E-01 0.177E-01
DAV: 4 -0.561254378605E+03 0.18197E-03 -0.14533E-03 24636 0.103E-01 0.482E-02
DAV: 5 -0.561254390499E+03 -0.11895E-04 -0.21919E-04 23784 0.443E-02 0.207E-02
DAV: 6 -0.561254401016E+03 -0.10517E-04 -0.36824E-05 24612 0.170E-02 0.951E-03
DAV: 7 -0.561254411129E+03 -0.10113E-04 -0.45645E-06 16428 0.731E-03 0.334E-03
DAV: 8 -0.561254420285E+03 -0.91568E-05 -0.22543E-06 16956 0.384E-03
481 F= -.56125442E+03 E0= -.56125866E+03 d E =-.352745E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561253683125E+03 0.72800E-03 -0.15451E+00 21924 0.321E+00 0.302E-01
DAV: 2 -0.561255386218E+03 -0.17031E-02 -0.28312E-02 23616 0.411E-01 0.191E-01
DAV: 3 -0.561255014789E+03 0.37143E-03 -0.10391E-03 26844 0.105E-01 0.100E-01
DAV: 4 -0.561254959016E+03 0.55773E-04 -0.47189E-04 24060 0.584E-02 0.272E-02
DAV: 5 -0.561254966085E+03 -0.70692E-05 -0.71187E-05 23892 0.252E-02
482 F= -.56125497E+03 E0= -.56125921E+03 d E =-.407325E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561254540659E+03 0.41836E-03 -0.35538E+00 21924 0.488E+00 0.453E-01
DAV: 2 -0.561258806912E+03 -0.42663E-02 -0.67025E-02 24396 0.629E-01 0.285E-01
DAV: 3 -0.561257992555E+03 0.81436E-03 -0.22615E-03 26928 0.154E-01 0.151E-01
DAV: 4 -0.561257855692E+03 0.13686E-03 -0.10263E-03 24540 0.865E-02 0.402E-02
DAV: 5 -0.561257868670E+03 -0.12977E-04 -0.15984E-04 23820 0.371E-02 0.172E-02
DAV: 6 -0.561257877558E+03 -0.88884E-05 -0.21630E-05 21048 0.138E-02
483 F= -.56125788E+03 E0= -.56126212E+03 d E =-.291147E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561257617140E+03 0.25153E-03 -0.58833E-01 21924 0.198E+00 0.184E-01
DAV: 2 -0.561258322296E+03 -0.70516E-03 -0.11087E-02 25224 0.256E-01 0.116E-01
DAV: 3 -0.561258185635E+03 0.13666E-03 -0.37906E-04 27732 0.629E-02 0.612E-02
DAV: 4 -0.561258168630E+03 0.17005E-04 -0.17094E-04 23400 0.352E-02 0.163E-02
DAV: 5 -0.561258175739E+03 -0.71093E-05 -0.25840E-05 21288 0.151E-02
484 F= -.56125818E+03 E0= -.56126241E+03 d E =-.320965E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561257930854E+03 0.23778E-03 -0.31397E+00 21924 0.458E+00 0.431E-01
DAV: 2 -0.561261625581E+03 -0.36947E-02 -0.59246E-02 23844 0.590E-01 0.274E-01
DAV: 3 -0.561260861777E+03 0.76380E-03 -0.20960E-03 27060 0.153E-01 0.146E-01
DAV: 4 -0.561260729894E+03 0.13188E-03 -0.99538E-04 24372 0.856E-02 0.404E-02
DAV: 5 -0.561260739433E+03 -0.95388E-05 -0.15399E-04 23964 0.365E-02 0.175E-02
DAV: 6 -0.561260746326E+03 -0.68928E-05 -0.23066E-05 21024 0.140E-02
485 F= -.56126075E+03 E0= -.56126497E+03 d E =-.257059E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561260607842E+03 0.13159E-03 -0.32448E-01 21924 0.147E+00 0.138E-01
DAV: 2 -0.561260992104E+03 -0.38426E-03 -0.61387E-03 24852 0.190E-01 0.883E-02
DAV: 3 -0.561260913135E+03 0.78969E-04 -0.22020E-04 27960 0.497E-02 0.469E-02
DAV: 4 -0.561260904209E+03 0.89254E-05 -0.10445E-04 23664 0.277E-02 0.129E-02
DAV: 5 -0.561260908899E+03 -0.46902E-05 -0.15676E-05 19896 0.120E-02
486 F= -.56126091E+03 E0= -.56126513E+03 d E =-.273316E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561260704393E+03 0.19982E-03 -0.26870E+00 21924 0.424E+00 0.394E-01
DAV: 2 -0.561263990614E+03 -0.32862E-02 -0.50703E-02 24120 0.547E-01 0.251E-01
DAV: 3 -0.561263351852E+03 0.63876E-03 -0.17223E-03 26868 0.138E-01 0.133E-01
DAV: 4 -0.561263240019E+03 0.11183E-03 -0.83127E-04 24696 0.786E-02 0.350E-02
DAV: 5 -0.561263244579E+03 -0.45603E-05 -0.12638E-04 24132 0.331E-02 0.157E-02
DAV: 6 -0.561263250107E+03 -0.55276E-05 -0.19133E-05 18444 0.129E-02
487 F= -.56126325E+03 E0= -.56126745E+03 d E =-.234121E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561263065434E+03 0.17914E-03 -0.45019E-01 21924 0.174E+00 0.161E-01
DAV: 2 -0.561263615381E+03 -0.54995E-03 -0.85033E-03 24732 0.224E-01 0.103E-01
DAV: 3 -0.561263506080E+03 0.10930E-03 -0.29276E-04 27708 0.570E-02 0.543E-02
DAV: 4 -0.561263491202E+03 0.14878E-04 -0.14070E-04 23472 0.323E-02 0.143E-02
DAV: 5 -0.561263495674E+03 -0.44720E-05 -0.20757E-05 20400 0.136E-02
488 F= -.56126350E+03 E0= -.56126769E+03 d E =-.258677E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561264157904E+03 -0.66670E-03 -0.14954E+00 21924 0.316E+00 0.294E-01
DAV: 2 -0.561266017026E+03 -0.18591E-02 -0.28309E-02 23658 0.410E-01 0.185E-01
DAV: 3 -0.561265674539E+03 0.34249E-03 -0.93974E-04 26940 0.100E-01 0.983E-02
DAV: 4 -0.561265616708E+03 0.57831E-04 -0.44457E-04 24252 0.571E-02 0.257E-02
DAV: 5 -0.561265621917E+03 -0.52091E-05 -0.69220E-05 23772 0.247E-02
489 F= -.56126562E+03 E0= -.56126982E+03 d E =-.212624E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561264923699E+03 0.69301E-03 -0.13485E+00 21924 0.300E+00 0.280E-01
DAV: 2 -0.561266610407E+03 -0.16867E-02 -0.25545E-02 23736 0.390E-01 0.176E-01
DAV: 3 -0.561266304045E+03 0.30636E-03 -0.84369E-04 27072 0.949E-02 0.933E-02
DAV: 4 -0.561266254269E+03 0.49776E-04 -0.40001E-04 23904 0.542E-02 0.243E-02
DAV: 5 -0.561266260647E+03 -0.63784E-05 -0.62453E-05 24012 0.235E-02
490 F= -.56126626E+03 E0= -.56127046E+03 d E =-.276497E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561266770283E+03 -0.51601E-03 -0.13877E+00 21924 0.305E+00 0.283E-01
DAV: 2 -0.561268547809E+03 -0.17775E-02 -0.26672E-02 24012 0.397E-01 0.183E-01
DAV: 3 -0.561268229281E+03 0.31853E-03 -0.90100E-04 27660 0.997E-02 0.986E-02
DAV: 4 -0.561268177063E+03 0.52217E-04 -0.44433E-04 23244 0.569E-02 0.261E-02
DAV: 5 -0.561268183564E+03 -0.65007E-05 -0.71056E-05 24972 0.255E-02
491 F= -.56126818E+03 E0= -.56127239E+03 d E =-.192292E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561267721919E+03 0.45514E-03 -0.93132E-01 21924 0.250E+00 0.232E-01
DAV: 2 -0.561268919118E+03 -0.11972E-02 -0.17923E-02 24144 0.325E-01 0.150E-01
DAV: 3 -0.561268706342E+03 0.21278E-03 -0.60515E-04 28008 0.817E-02 0.808E-02
DAV: 4 -0.561268672605E+03 0.33736E-04 -0.29877E-04 23112 0.466E-02 0.213E-02
DAV: 5 -0.561268677652E+03 -0.50468E-05 -0.47493E-05 24612 0.210E-02
492 F= -.56126868E+03 E0= -.56127289E+03 d E =-.241700E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561269248266E+03 -0.57566E-03 -0.14780E+00 21924 0.314E+00 0.289E-01
DAV: 2 -0.561271152397E+03 -0.19041E-02 -0.28057E-02 23694 0.406E-01 0.184E-01
DAV: 3 -0.561270837188E+03 0.31521E-03 -0.90086E-04 27024 0.969E-02 0.974E-02
DAV: 4 -0.561270785412E+03 0.51776E-04 -0.41281E-04 24156 0.553E-02 0.251E-02
DAV: 5 -0.561270790208E+03 -0.47959E-05 -0.64769E-05 24132 0.241E-02
493 F= -.56127079E+03 E0= -.56127500E+03 d E =-.211256E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561269651338E+03 0.11341E-02 -0.18857E+00 21924 0.355E+00 0.326E-01
DAV: 2 -0.561272081390E+03 -0.24301E-02 -0.35812E-02 23742 0.459E-01 0.207E-01
DAV: 3 -0.561271676597E+03 0.40479E-03 -0.11457E-03 27144 0.109E-01 0.110E-01
DAV: 4 -0.561271608636E+03 0.67961E-04 -0.52678E-04 24240 0.625E-02 0.284E-02
DAV: 5 -0.561271614965E+03 -0.63291E-05 -0.82826E-05 24060 0.272E-02
494 F= -.56127161E+03 E0= -.56127582E+03 d E =-.293731E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561271849318E+03 -0.24068E-03 -0.19401E+00 21924 0.360E+00 0.332E-01
DAV: 2 -0.561274280786E+03 -0.24315E-02 -0.36372E-02 24366 0.462E-01 0.210E-01
DAV: 3 -0.561273846744E+03 0.43404E-03 -0.11660E-03 27036 0.112E-01 0.111E-01
DAV: 4 -0.561273780524E+03 0.66220E-04 -0.56613E-04 23940 0.646E-02 0.284E-02
DAV: 5 -0.561273787602E+03 -0.70778E-05 -0.87601E-05 24168 0.274E-02
495 F= -.56127379E+03 E0= -.56127797E+03 d E =-.217264E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561273104590E+03 0.67593E-03 -0.12571E+00 21924 0.289E+00 0.267E-01
DAV: 2 -0.561274682661E+03 -0.15781E-02 -0.23556E-02 24588 0.372E-01 0.169E-01
DAV: 3 -0.561274402004E+03 0.28066E-03 -0.75544E-04 27312 0.904E-02 0.890E-02
DAV: 4 -0.561274361847E+03 0.40157E-04 -0.36699E-04 23412 0.521E-02 0.228E-02
DAV: 5 -0.561274368502E+03 -0.66543E-05 -0.57052E-05 24720 0.221E-02
496 F= -.56127437E+03 E0= -.56127853E+03 d E =-.275354E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561274394465E+03 -0.32618E-04 -0.25924E+00 21924 0.415E+00 0.377E-01
DAV: 2 -0.561277600435E+03 -0.32060E-02 -0.47368E-02 23958 0.527E-01 0.247E-01
DAV: 3 -0.561277007570E+03 0.59287E-03 -0.15325E-03 27360 0.132E-01 0.130E-01
DAV: 4 -0.561276910586E+03 0.96984E-04 -0.78650E-04 23772 0.755E-02 0.326E-02
DAV: 5 -0.561276918056E+03 -0.74701E-05 -0.12377E-04 24612 0.322E-02 0.150E-02
DAV: 6 -0.561276924017E+03 -0.59610E-05 -0.15351E-05 17424 0.118E-02
497 F= -.56127692E+03 E0= -.56128108E+03 d E =-.255552E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561276381454E+03 0.53660E-03 -0.10291E+00 21924 0.262E+00 0.237E-01
DAV: 2 -0.561277651045E+03 -0.12696E-02 -0.18848E-02 24180 0.333E-01 0.156E-01
DAV: 3 -0.561277412024E+03 0.23902E-03 -0.61559E-04 27744 0.837E-02 0.824E-02
DAV: 4 -0.561277375413E+03 0.36611E-04 -0.31818E-04 23232 0.479E-02 0.206E-02
DAV: 5 -0.561277379987E+03 -0.45737E-05 -0.50384E-05 24900 0.206E-02
498 F= -.56127738E+03 E0= -.56128153E+03 d E =-.301149E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561277504987E+03 -0.12957E-03 -0.19893E+00 21924 0.363E+00 0.330E-01
DAV: 2 -0.561280002830E+03 -0.24978E-02 -0.36859E-02 23700 0.463E-01 0.211E-01
DAV: 3 -0.561279559092E+03 0.44374E-03 -0.11148E-03 26208 0.109E-01 0.110E-01
DAV: 4 -0.561279489693E+03 0.69398E-04 -0.57401E-04 24528 0.644E-02 0.278E-02
DAV: 5 -0.561279494365E+03 -0.46713E-05 -0.89872E-05 23904 0.284E-02
499 F= -.56127949E+03 E0= -.56128364E+03 d E =-.211438E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561278320468E+03 0.11692E-02 -0.18859E+00 21924 0.353E+00 0.322E-01
DAV: 2 -0.561280689815E+03 -0.23693E-02 -0.34919E-02 23634 0.451E-01 0.206E-01
DAV: 3 -0.561280267422E+03 0.42239E-03 -0.10541E-03 26340 0.106E-01 0.107E-01
DAV: 4 -0.561280203431E+03 0.63991E-04 -0.54210E-04 24252 0.625E-02 0.271E-02
DAV: 5 -0.561280210281E+03 -0.68499E-05 -0.85076E-05 23952 0.276E-02
500 F= -.56128021E+03 E0= -.56128436E+03 d E =-.283029E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561280949093E+03 -0.74566E-03 -0.19811E+00 21924 0.363E+00 0.341E-01
DAV: 2 -0.561283276124E+03 -0.23270E-02 -0.36786E-02 23802 0.464E-01 0.220E-01
DAV: 3 -0.561282789260E+03 0.48686E-03 -0.12656E-03 26448 0.117E-01 0.112E-01
DAV: 4 -0.561282722023E+03 0.67237E-04 -0.59064E-04 24084 0.653E-02 0.297E-02
DAV: 5 -0.561282728579E+03 -0.65560E-05 -0.90125E-05 24516 0.294E-02
501 F= -.56128273E+03 E0= -.56128687E+03 d E =-.251830E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561281833422E+03 0.88860E-03 -0.18404E+00 21924 0.350E+00 0.329E-01
DAV: 2 -0.561283997884E+03 -0.21645E-02 -0.34201E-02 23856 0.447E-01 0.213E-01
DAV: 3 -0.561283545457E+03 0.45243E-03 -0.11778E-03 26592 0.113E-01 0.108E-01
DAV: 4 -0.561283483060E+03 0.62398E-04 -0.54920E-04 24036 0.630E-02 0.287E-02
DAV: 5 -0.561283489867E+03 -0.68077E-05 -0.83940E-05 24504 0.284E-02
502 F= -.56128349E+03 E0= -.56128761E+03 d E =-.327959E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561283698696E+03 -0.21564E-03 -0.24627E+00 21924 0.403E+00 0.383E-01
DAV: 2 -0.561286460916E+03 -0.27622E-02 -0.44847E-02 22914 0.512E-01 0.247E-01
DAV: 3 -0.561285854296E+03 0.60662E-03 -0.17098E-03 27000 0.134E-01 0.123E-01
DAV: 4 -0.561285764836E+03 0.89460E-04 -0.66619E-04 24240 0.693E-02 0.329E-02
DAV: 5 -0.561285774671E+03 -0.98348E-05 -0.10631E-04 24168 0.303E-02 0.145E-02
DAV: 6 -0.561285783494E+03 -0.88232E-05 -0.13154E-05 17448 0.118E-02
503 F= -.56128578E+03 E0= -.56128990E+03 d E =-.229363E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561285181236E+03 0.59344E-03 -0.13425E+00 21930 0.298E+00 0.282E-01
DAV: 2 -0.561286674863E+03 -0.14936E-02 -0.24463E-02 23010 0.378E-01 0.183E-01
DAV: 3 -0.561286338509E+03 0.33635E-03 -0.94140E-04 27102 0.994E-02 0.911E-02
DAV: 4 -0.561286291365E+03 0.47144E-04 -0.36948E-04 24024 0.515E-02 0.244E-02
DAV: 5 -0.561286299152E+03 -0.77869E-05 -0.59254E-05 24492 0.227E-02
504 F= -.56128630E+03 E0= -.56129042E+03 d E =-.280928E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561286446962E+03 -0.15560E-03 -0.22553E+00 21924 0.384E+00 0.361E-01
DAV: 2 -0.561289116242E+03 -0.26693E-02 -0.42304E-02 24288 0.494E-01 0.227E-01
DAV: 3 -0.561288536759E+03 0.57948E-03 -0.14464E-03 26100 0.118E-01 0.113E-01
DAV: 4 -0.561288456236E+03 0.80523E-04 -0.58293E-04 25356 0.642E-02 0.300E-02
DAV: 5 -0.561288467021E+03 -0.10784E-04 -0.87001E-05 24108 0.260E-02 0.125E-02
DAV: 6 -0.561288475587E+03 -0.85662E-05 -0.82363E-06 16812 0.983E-03
505 F= -.56128848E+03 E0= -.56129260E+03 d E =-.217644E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561288373864E+03 0.93157E-04 -0.33567E-01 21936 0.148E+00 0.139E-01
DAV: 2 -0.561288767555E+03 -0.39369E-03 -0.62836E-03 25608 0.191E-01 0.874E-02
DAV: 3 -0.561288680062E+03 0.87493E-04 -0.21757E-04 26724 0.458E-02 0.432E-02
DAV: 4 -0.561288673800E+03 0.62616E-05 -0.88704E-05 24480 0.250E-02
506 F= -.56128867E+03 E0= -.56129280E+03 d E =-.237465E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561289205366E+03 -0.52530E-03 -0.20516E+00 21924 0.366E+00 0.347E-01
DAV: 2 -0.561291411977E+03 -0.22066E-02 -0.36493E-02 23316 0.463E-01 0.225E-01
DAV: 3 -0.561290870754E+03 0.54122E-03 -0.14477E-03 26280 0.123E-01 0.111E-01
DAV: 4 -0.561290795610E+03 0.75144E-04 -0.58896E-04 24312 0.654E-02 0.301E-02
DAV: 5 -0.561290803066E+03 -0.74561E-05 -0.92142E-05 24168 0.277E-02
507 F= -.56129080E+03 E0= -.56129492E+03 d E =-.212927E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561290775879E+03 0.19731E-04 -0.48243E-01 21924 0.178E+00 0.168E-01
DAV: 2 -0.561291302887E+03 -0.52701E-03 -0.85922E-03 24072 0.225E-01 0.109E-01
DAV: 3 -0.561291178894E+03 0.12399E-03 -0.33551E-04 27108 0.588E-02 0.535E-02
DAV: 4 -0.561291168111E+03 0.10783E-04 -0.13880E-04 23880 0.316E-02 0.144E-02
DAV: 5 -0.561291174200E+03 -0.60886E-05 -0.20487E-05 20580 0.137E-02
508 F= -.56129117E+03 E0= -.56129529E+03 d E =-.250040E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561292181037E+03 -0.10129E-02 -0.77309E-01 21924 0.224E+00 0.212E-01
DAV: 2 -0.561293030252E+03 -0.84921E-03 -0.14055E-02 24024 0.286E-01 0.139E-01
DAV: 3 -0.561292821550E+03 0.20870E-03 -0.52246E-04 26376 0.728E-02 0.686E-02
DAV: 4 -0.561292793627E+03 0.27923E-04 -0.24118E-04 24036 0.412E-02 0.182E-02
DAV: 5 -0.561292797580E+03 -0.39525E-05 -0.33510E-05 21936 0.186E-02
509 F= -.56129280E+03 E0= -.56129690E+03 d E =-.162338E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561292868705E+03 -0.75077E-04 -0.26367E-01 21924 0.131E+00 0.124E-01
DAV: 2 -0.561293162428E+03 -0.29372E-03 -0.48023E-03 24288 0.167E-01 0.813E-02
DAV: 3 -0.561293092158E+03 0.70269E-04 -0.17795E-04 27072 0.425E-02 0.400E-02
DAV: 4 -0.561293085694E+03 0.64636E-05 -0.81957E-05 23928 0.240E-02
510 F= -.56129309E+03 E0= -.56129718E+03 d E =-.191149E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561293685725E+03 -0.59357E-03 -0.96105E-01 21924 0.250E+00 0.233E-01
DAV: 2 -0.561294798172E+03 -0.11124E-02 -0.17535E-02 23148 0.318E-01 0.149E-01
DAV: 3 -0.561294553740E+03 0.24443E-03 -0.64735E-04 26172 0.773E-02 0.726E-02
DAV: 4 -0.561294524730E+03 0.29010E-04 -0.25440E-04 24732 0.428E-02 0.196E-02
DAV: 5 -0.561294529683E+03 -0.49530E-05 -0.37203E-05 22812 0.188E-02
511 F= -.56129453E+03 E0= -.56129863E+03 d E =-.144399E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561294579864E+03 -0.55135E-04 -0.14846E-01 21936 0.982E-01 0.914E-02
DAV: 2 -0.561294754264E+03 -0.17440E-03 -0.27073E-03 24396 0.125E-01 0.585E-02
DAV: 3 -0.561294718048E+03 0.36217E-04 -0.10119E-04 26676 0.303E-02 0.281E-02
DAV: 4 -0.561294717408E+03 0.63930E-06 -0.37564E-05 24228 0.166E-02
512 F= -.56129472E+03 E0= -.56129882E+03 d E =-.163171E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561295464252E+03 -0.74620E-03 -0.10698E+00 21924 0.263E+00 0.243E-01
DAV: 2 -0.561296662659E+03 -0.11984E-02 -0.19154E-02 23640 0.333E-01 0.160E-01
DAV: 3 -0.561296379343E+03 0.28332E-03 -0.75549E-04 26328 0.863E-02 0.781E-02
DAV: 4 -0.561296340646E+03 0.38697E-04 -0.28365E-04 24420 0.460E-02 0.210E-02
DAV: 5 -0.561296345693E+03 -0.50468E-05 -0.44861E-05 23616 0.196E-02
513 F= -.56129635E+03 E0= -.56130046E+03 d E =-.162828E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561296387755E+03 -0.47109E-04 -0.93804E-02 21936 0.780E-01 0.722E-02
DAV: 2 -0.561296497337E+03 -0.10958E-03 -0.16923E-03 24408 0.988E-02 0.475E-02
DAV: 3 -0.561296474740E+03 0.22598E-04 -0.64324E-05 26604 0.250E-02 0.232E-02
DAV: 4 -0.561296474629E+03 0.11078E-06 -0.23261E-05 18648 0.137E-02
514 F= -.56129647E+03 E0= -.56130059E+03 d E =-.175722E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561297098021E+03 -0.62328E-03 -0.94641E-01 21924 0.247E+00 0.234E-01
DAV: 2 -0.561298102059E+03 -0.10040E-02 -0.17041E-02 23304 0.314E-01 0.147E-01
DAV: 3 -0.561297849517E+03 0.25254E-03 -0.73077E-04 26064 0.799E-02 0.693E-02
DAV: 4 -0.561297817937E+03 0.31580E-04 -0.22082E-04 25032 0.409E-02 0.198E-02
DAV: 5 -0.561297822078E+03 -0.41409E-05 -0.30740E-05 20244 0.156E-02
515 F= -.56129782E+03 E0= -.56130193E+03 d E =-.134745E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561297802417E+03 0.15520E-04 -0.24480E-01 21924 0.126E+00 0.119E-01
DAV: 2 -0.561298065100E+03 -0.26268E-03 -0.44181E-03 23508 0.160E-01 0.750E-02
DAV: 3 -0.561297999766E+03 0.65334E-04 -0.18649E-04 26532 0.402E-02 0.352E-02
DAV: 4 -0.561297994743E+03 0.50222E-05 -0.57647E-05 23820 0.208E-02
516 F= -.56129799E+03 E0= -.56130210E+03 d E =-.152011E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561298681576E+03 -0.68181E-03 -0.65508E-01 21924 0.207E+00 0.196E-01
DAV: 2 -0.561299372749E+03 -0.69117E-03 -0.11729E-02 23424 0.260E-01 0.124E-01
DAV: 3 -0.561299196946E+03 0.17580E-03 -0.49866E-04 26124 0.657E-02 0.572E-02
DAV: 4 -0.561299179170E+03 0.17776E-04 -0.14370E-04 24396 0.325E-02 0.159E-02
DAV: 5 -0.561299184253E+03 -0.50825E-05 -0.19725E-05 19104 0.126E-02
517 F= -.56129918E+03 E0= -.56130329E+03 d E =-.118951E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561299313877E+03 -0.13471E-03 -0.26736E-01 21924 0.132E+00 0.125E-01
DAV: 2 -0.561299597423E+03 -0.28355E-03 -0.48022E-03 23772 0.167E-01 0.792E-02
DAV: 3 -0.561299526146E+03 0.71277E-04 -0.20278E-04 26760 0.417E-02 0.363E-02
DAV: 4 -0.561299521326E+03 0.48193E-05 -0.58717E-05 24096 0.207E-02
518 F= -.56129952E+03 E0= -.56130362E+03 d E =-.152658E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561300349359E+03 -0.82321E-03 -0.25476E-01 21924 0.130E+00 0.124E-01
DAV: 2 -0.561300647752E+03 -0.29839E-03 -0.49516E-03 24312 0.170E-01 0.805E-02
DAV: 3 -0.561300574681E+03 0.73071E-04 -0.22148E-04 26280 0.443E-02 0.392E-02
DAV: 4 -0.561300565597E+03 0.90838E-05 -0.65856E-05 23868 0.223E-02
519 F= -.56130057E+03 E0= -.56130467E+03 d E =-.104427E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561300747312E+03 -0.17263E-03 -0.60467E-02 21936 0.634E-01 0.610E-02
DAV: 2 -0.561300821160E+03 -0.73848E-04 -0.11825E-03 24960 0.829E-02 0.396E-02
DAV: 3 -0.561300805106E+03 0.16054E-04 -0.52073E-05 25992 0.218E-02 0.195E-02
DAV: 4 -0.561300805131E+03 -0.25089E-07 -0.15108E-05 16596 0.113E-02
520 F= -.56130081E+03 E0= -.56130491E+03 d E =-.128380E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561300527540E+03 0.27757E-03 -0.24094E-01 21924 0.126E+00 0.120E-01
DAV: 2 -0.561300809848E+03 -0.28231E-03 -0.46948E-03 24300 0.165E-01 0.779E-02
DAV: 3 -0.561300740452E+03 0.69396E-04 -0.20772E-04 26136 0.428E-02 0.381E-02
DAV: 4 -0.561300730516E+03 0.99365E-05 -0.62574E-05 24084 0.218E-02
521 F= -.56130073E+03 E0= -.56130484E+03 d E =-.120919E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561300787133E+03 -0.46680E-04 -0.96878E-02 21924 0.802E-01 0.753E-02
DAV: 2 -0.561300900670E+03 -0.11354E-03 -0.18736E-03 24216 0.105E-01 0.491E-02
DAV: 3 -0.561300876166E+03 0.24504E-04 -0.85970E-05 25956 0.271E-02 0.234E-02
DAV: 4 -0.561300873871E+03 0.22943E-05 -0.22604E-05 18324 0.135E-02
522 F= -.56130087E+03 E0= -.56130498E+03 d E =-.135254E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561301492521E+03 -0.61636E-03 -0.19019E-01 21924 0.112E+00 0.106E-01
DAV: 2 -0.561301701567E+03 -0.20905E-03 -0.35638E-03 23208 0.144E-01 0.669E-02
DAV: 3 -0.561301647394E+03 0.54173E-04 -0.15869E-04 25224 0.363E-02 0.308E-02
DAV: 4 -0.561301640400E+03 0.69935E-05 -0.44470E-05 25152 0.183E-02
523 F= -.56130164E+03 E0= -.56130574E+03 d E =-.766529E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561301878620E+03 -0.23123E-03 -0.34463E-01 21924 0.151E+00 0.144E-01
DAV: 2 -0.561302266864E+03 -0.38824E-03 -0.64620E-03 23592 0.194E-01 0.905E-02
DAV: 3 -0.561302169698E+03 0.97165E-04 -0.28146E-04 26100 0.488E-02 0.421E-02
DAV: 4 -0.561302156578E+03 0.13120E-04 -0.81465E-05 25032 0.248E-02 0.118E-02
DAV: 5 -0.561302157807E+03 -0.12287E-05 -0.10163E-05 16308 0.104E-02
524 F= -.56130216E+03 E0= -.56130626E+03 d E =-.128394E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561302158960E+03 -0.23819E-05 -0.60604E-02 21924 0.634E-01 0.600E-02
DAV: 2 -0.561302227573E+03 -0.68613E-04 -0.11399E-03 24156 0.813E-02 0.377E-02
DAV: 3 -0.561302210791E+03 0.16782E-04 -0.49647E-05 25632 0.206E-02 0.174E-02
DAV: 4 -0.561302210053E+03 0.73769E-06 -0.13067E-05 15660 0.106E-02
525 F= -.56130221E+03 E0= -.56130631E+03 d E =-.133618E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561302989597E+03 -0.77881E-03 -0.33376E-01 21924 0.148E+00 0.139E-01
DAV: 2 -0.561303350734E+03 -0.36114E-03 -0.60403E-03 23436 0.186E-01 0.879E-02
DAV: 3 -0.561303256908E+03 0.93826E-04 -0.25187E-04 26004 0.465E-02 0.403E-02
DAV: 4 -0.561303245348E+03 0.11560E-04 -0.73953E-05 24672 0.236E-02 0.105E-02
DAV: 5 -0.561303247442E+03 -0.20939E-05 -0.90385E-06 16374 0.861E-03
526 F= -.56130325E+03 E0= -.56130734E+03 d E =-.103739E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561303225051E+03 0.20297E-04 -0.82093E-01 21924 0.232E+00 0.218E-01
DAV: 2 -0.561304113488E+03 -0.88844E-03 -0.14901E-02 23514 0.292E-01 0.138E-01
DAV: 3 -0.561303881476E+03 0.23201E-03 -0.61851E-04 26160 0.729E-02 0.632E-02
DAV: 4 -0.561303851115E+03 0.30361E-04 -0.18369E-04 25272 0.370E-02 0.164E-02
DAV: 5 -0.561303854719E+03 -0.36046E-05 -0.23326E-05 18570 0.135E-02
527 F= -.56130385E+03 E0= -.56130794E+03 d E =-.164467E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561304634123E+03 -0.78301E-03 -0.25508E-01 21924 0.129E+00 0.121E-01
DAV: 2 -0.561304920739E+03 -0.28662E-03 -0.46876E-03 23052 0.163E-01 0.759E-02
DAV: 3 -0.561304852989E+03 0.67750E-04 -0.18916E-04 26352 0.402E-02 0.358E-02
DAV: 4 -0.561304846168E+03 0.68208E-05 -0.55024E-05 23832 0.205E-02
528 F= -.56130485E+03 E0= -.56130893E+03 d E =-.991449E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561305360973E+03 -0.50798E-03 -0.24164E-01 21924 0.126E+00 0.119E-01
DAV: 2 -0.561305631704E+03 -0.27073E-03 -0.44214E-03 23208 0.158E-01 0.744E-02
DAV: 3 -0.561305567635E+03 0.64070E-04 -0.18104E-04 26400 0.394E-02 0.350E-02
DAV: 4 -0.561305561160E+03 0.64750E-05 -0.51865E-05 23952 0.201E-02
529 F= -.56130556E+03 E0= -.56130965E+03 d E =-.170644E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561305460450E+03 0.10719E-03 -0.96505E-01 21924 0.251E+00 0.236E-01
DAV: 2 -0.561306539055E+03 -0.10786E-02 -0.17690E-02 23280 0.316E-01 0.148E-01
DAV: 3 -0.561306280824E+03 0.25823E-03 -0.72352E-04 26220 0.788E-02 0.699E-02
DAV: 4 -0.561306244844E+03 0.35980E-04 -0.20764E-04 25596 0.402E-02 0.188E-02
DAV: 5 -0.561306249687E+03 -0.48435E-05 -0.28293E-05 19320 0.152E-02
530 F= -.56130625E+03 E0= -.56131033E+03 d E =-.239497E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561307316409E+03 -0.10716E-02 -0.55926E-01 21924 0.192E+00 0.178E-01
DAV: 2 -0.561307989871E+03 -0.67346E-03 -0.10513E-02 23286 0.244E-01 0.114E-01
DAV: 3 -0.561307845829E+03 0.14404E-03 -0.39323E-04 26304 0.574E-02 0.540E-02
DAV: 4 -0.561307827228E+03 0.18601E-04 -0.12483E-04 24912 0.318E-02 0.135E-02
DAV: 5 -0.561307832094E+03 -0.48666E-05 -0.18013E-05 18084 0.133E-02
531 F= -.56130783E+03 E0= -.56131191E+03 d E =-.158241E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561307838875E+03 -0.11647E-04 -0.73611E-01 21924 0.221E+00 0.204E-01
DAV: 2 -0.561308722198E+03 -0.88332E-03 -0.13825E-02 23202 0.280E-01 0.130E-01
DAV: 3 -0.561308530838E+03 0.19136E-03 -0.51740E-04 26304 0.659E-02 0.618E-02
DAV: 4 -0.561308503608E+03 0.27230E-04 -0.16429E-04 25176 0.365E-02 0.155E-02
DAV: 5 -0.561308508033E+03 -0.44248E-05 -0.24559E-05 19632 0.152E-02
532 F= -.56130851E+03 E0= -.56131258E+03 d E =-.225835E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561309372923E+03 -0.86931E-03 -0.71081E-01 21924 0.216E+00 0.200E-01
DAV: 2 -0.561310213315E+03 -0.84039E-03 -0.13208E-02 23046 0.272E-01 0.128E-01
DAV: 3 -0.561310030234E+03 0.18308E-03 -0.48836E-04 27084 0.644E-02 0.605E-02
DAV: 4 -0.561310005423E+03 0.24811E-04 -0.16248E-04 24984 0.358E-02 0.154E-02
DAV: 5 -0.561310009867E+03 -0.44439E-05 -0.22291E-05 19176 0.147E-02
533 F= -.56131001E+03 E0= -.56131408E+03 d E =-.150183E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561309489012E+03 0.51641E-03 -0.15212E+00 21924 0.317E+00 0.293E-01
DAV: 2 -0.561311282514E+03 -0.17935E-02 -0.28287E-02 23118 0.399E-01 0.187E-01
DAV: 3 -0.561310890152E+03 0.39236E-03 -0.10447E-03 27036 0.942E-02 0.887E-02
DAV: 4 -0.561310831747E+03 0.58406E-04 -0.34891E-04 25332 0.524E-02 0.226E-02
DAV: 5 -0.561310837794E+03 -0.60473E-05 -0.50890E-05 23796 0.214E-02
534 F= -.56131084E+03 E0= -.56131491E+03 d E =-.232976E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561311750206E+03 -0.91846E-03 -0.69126E-01 21924 0.212E+00 0.193E-01
DAV: 2 -0.561312534945E+03 -0.78474E-03 -0.12258E-02 23154 0.263E-01 0.124E-01
DAV: 3 -0.561312357946E+03 0.17700E-03 -0.44980E-04 26568 0.617E-02 0.572E-02
DAV: 4 -0.561312339818E+03 0.18128E-04 -0.15280E-04 24444 0.331E-02 0.144E-02
DAV: 5 -0.561312345600E+03 -0.57822E-05 -0.18696E-05 17940 0.133E-02
535 F= -.56131235E+03 E0= -.56131641E+03 d E =-.150781E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561311425976E+03 0.91384E-03 -0.25194E+00 21924 0.405E+00 0.370E-01
DAV: 2 -0.561314240963E+03 -0.28150E-02 -0.44586E-02 23124 0.502E-01 0.236E-01
DAV: 3 -0.561313588810E+03 0.65215E-03 -0.16586E-03 26280 0.118E-01 0.109E-01
DAV: 4 -0.561313505080E+03 0.83729E-04 -0.55618E-04 25416 0.633E-02 0.278E-02
DAV: 5 -0.561313512513E+03 -0.74323E-05 -0.73162E-05 23928 0.250E-02
536 F= -.56131351E+03 E0= -.56131758E+03 d E =-.267472E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561314555297E+03 -0.10502E-02 -0.88602E-01 21924 0.240E+00 0.218E-01
DAV: 2 -0.561315579292E+03 -0.10240E-02 -0.15788E-02 23496 0.302E-01 0.138E-01
DAV: 3 -0.561315354825E+03 0.22447E-03 -0.59986E-04 26880 0.705E-02 0.652E-02
DAV: 4 -0.561315327374E+03 0.27451E-04 -0.18982E-04 24600 0.377E-02 0.165E-02
DAV: 5 -0.561315334495E+03 -0.71203E-05 -0.26035E-05 20088 0.146E-02
537 F= -.56131533E+03 E0= -.56131939E+03 d E =-.182198E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561314831338E+03 0.49604E-03 -0.17552E+00 21924 0.338E+00 0.308E-01
DAV: 2 -0.561316836058E+03 -0.20047E-02 -0.31207E-02 23382 0.425E-01 0.195E-01
DAV: 3 -0.561316386810E+03 0.44925E-03 -0.12013E-03 26400 0.998E-02 0.917E-02
DAV: 4 -0.561316324599E+03 0.62211E-04 -0.37477E-04 25116 0.532E-02 0.235E-02
DAV: 5 -0.561316332257E+03 -0.76581E-05 -0.53820E-05 24168 0.204E-02
538 F= -.56131633E+03 E0= -.56132038E+03 d E =-.281974E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561317217517E+03 -0.89292E-03 -0.10385E+00 21924 0.260E+00 0.242E-01
DAV: 2 -0.561318411767E+03 -0.11942E-02 -0.18814E-02 22962 0.328E-01 0.154E-01
DAV: 3 -0.561318140651E+03 0.27112E-03 -0.73965E-04 26376 0.795E-02 0.718E-02
DAV: 4 -0.561318103748E+03 0.36903E-04 -0.21393E-04 25632 0.413E-02 0.182E-02
DAV: 5 -0.561318110923E+03 -0.71744E-05 -0.30403E-05 21144 0.157E-02
539 F= -.56131811E+03 E0= -.56132216E+03 d E =-.177867E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561317876708E+03 0.22704E-03 -0.10577E+00 21924 0.263E+00 0.244E-01
DAV: 2 -0.561319088615E+03 -0.12119E-02 -0.19159E-02 22986 0.331E-01 0.155E-01
DAV: 3 -0.561318810855E+03 0.27776E-03 -0.75430E-04 26412 0.802E-02 0.725E-02
DAV: 4 -0.561318772171E+03 0.38684E-04 -0.21859E-04 25728 0.417E-02 0.185E-02
DAV: 5 -0.561318778936E+03 -0.67649E-05 -0.31023E-05 21000 0.159E-02
540 F= -.56131878E+03 E0= -.56132283E+03 d E =-.244668E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561319652430E+03 -0.88026E-03 -0.11592E+00 21924 0.276E+00 0.257E-01
DAV: 2 -0.561320968834E+03 -0.13164E-02 -0.20961E-02 23220 0.346E-01 0.163E-01
DAV: 3 -0.561320660943E+03 0.30789E-03 -0.81876E-04 26136 0.827E-02 0.737E-02
DAV: 4 -0.561320624441E+03 0.36502E-04 -0.23483E-04 25716 0.418E-02 0.185E-02
DAV: 5 -0.561320631219E+03 -0.67776E-05 -0.31397E-05 20040 0.165E-02
541 F= -.56132063E+03 E0= -.56132468E+03 d E =-.185228E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561320466259E+03 0.15818E-03 -0.74017E-01 21924 0.220E+00 0.205E-01
DAV: 2 -0.561321305810E+03 -0.83955E-03 -0.13382E-02 23460 0.277E-01 0.130E-01
DAV: 3 -0.561321108332E+03 0.19748E-03 -0.52338E-04 26436 0.661E-02 0.588E-02
DAV: 4 -0.561321086367E+03 0.21965E-04 -0.15006E-04 25608 0.334E-02 0.148E-02
DAV: 5 -0.561321092115E+03 -0.57484E-05 -0.19629E-05 18060 0.133E-02
542 F= -.56132109E+03 E0= -.56132514E+03 d E =-.231318E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561322091471E+03 -0.10051E-02 -0.12870E+00 21924 0.290E+00 0.274E-01
DAV: 2 -0.561323401715E+03 -0.13102E-02 -0.22855E-02 23010 0.363E-01 0.173E-01
DAV: 3 -0.561323039044E+03 0.36267E-03 -0.10179E-03 26820 0.907E-02 0.769E-02
DAV: 4 -0.561322997655E+03 0.41389E-04 -0.26422E-04 25464 0.444E-02 0.211E-02
DAV: 5 -0.561323003910E+03 -0.62555E-05 -0.34551E-05 20304 0.178E-02
543 F= -.56132300E+03 E0= -.56132705E+03 d E =-.191180E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561322360089E+03 0.63757E-03 -0.22530E+00 21924 0.384E+00 0.364E-01
DAV: 2 -0.561324653173E+03 -0.22931E-02 -0.40053E-02 23118 0.480E-01 0.229E-01
DAV: 3 -0.561324019940E+03 0.63323E-03 -0.17775E-03 26940 0.120E-01 0.102E-01
DAV: 4 -0.561323945186E+03 0.74754E-04 -0.46245E-04 25596 0.587E-02 0.280E-02
DAV: 5 -0.561323954946E+03 -0.97603E-05 -0.63390E-05 23856 0.234E-02
544 F= -.56132395E+03 E0= -.56132800E+03 d E =-.286283E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561324670145E+03 -0.72496E-03 -0.20713E+00 21924 0.368E+00 0.347E-01
DAV: 2 -0.561326774081E+03 -0.21039E-02 -0.36688E-02 23880 0.461E-01 0.220E-01
DAV: 3 -0.561326180266E+03 0.59382E-03 -0.16558E-03 26916 0.118E-01 0.986E-02
DAV: 4 -0.561326106645E+03 0.73621E-04 -0.44327E-04 25440 0.601E-02 0.267E-02
DAV: 5 -0.561326117846E+03 -0.11201E-04 -0.64477E-05 24132 0.233E-02 0.127E-02
DAV: 6 -0.561326130498E+03 -0.12652E-04 -0.92985E-06 16320 0.933E-03 0.587E-03
DAV: 7 -0.561326143851E+03 -0.13353E-04 -0.30133E-06 16596 0.554E-03 0.232E-03
DAV: 8 -0.561326156150E+03 -0.12299E-04 -0.16501E-06 16380 0.342E-03 0.139E-03
DAV: 9 -0.561326166422E+03 -0.10272E-04 -0.92395E-07 16896 0.225E-03 0.831E-04
DAV: 10 -0.561326178251E+03 -0.11829E-04 -0.11697E-06 16164 0.228E-03 0.553E-04
DAV: 11 -0.561326182962E+03 -0.47119E-05 -0.58995E-07 17028 0.143E-03
545 F= -.56132618E+03 E0= -.56133022E+03 d E =-.222802E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561326136763E+03 0.41488E-04 -0.55673E-01 21924 0.191E+00 0.180E-01
DAV: 2 -0.561326697591E+03 -0.56083E-03 -0.98226E-03 23268 0.239E-01 0.114E-01
DAV: 3 -0.561326537650E+03 0.15994E-03 -0.45205E-04 26040 0.613E-02 0.508E-02
DAV: 4 -0.561326516504E+03 0.21145E-04 -0.11903E-04 26040 0.312E-02 0.138E-02
DAV: 5 -0.561326517344E+03 -0.84002E-06 -0.15601E-05 17472 0.120E-02
546 F= -.56132652E+03 E0= -.56133055E+03 d E =-.256240E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561327341900E+03 -0.82540E-03 -0.20833E+00 21924 0.369E+00 0.348E-01
DAV: 2 -0.561329543018E+03 -0.22011E-02 -0.37124E-02 23328 0.465E-01 0.217E-01
DAV: 3 -0.561328971114E+03 0.57190E-03 -0.15246E-03 26112 0.113E-01 0.988E-02
DAV: 4 -0.561328891916E+03 0.79197E-04 -0.44671E-04 25980 0.583E-02 0.252E-02
DAV: 5 -0.561328896764E+03 -0.48474E-05 -0.60688E-05 24720 0.223E-02
547 F= -.56132890E+03 E0= -.56133293E+03 d E =-.237942E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561328266394E+03 0.62552E-03 -0.17196E+00 21924 0.336E+00 0.316E-01
DAV: 2 -0.561330088327E+03 -0.18219E-02 -0.30682E-02 23058 0.422E-01 0.197E-01
DAV: 3 -0.561329614039E+03 0.47429E-03 -0.12527E-03 26256 0.102E-01 0.898E-02
DAV: 4 -0.561329552128E+03 0.61911E-04 -0.36965E-04 25392 0.531E-02 0.229E-02
DAV: 5 -0.561329560920E+03 -0.87921E-05 -0.50513E-05 24324 0.206E-02
548 F= -.56132956E+03 E0= -.56133358E+03 d E =-.304358E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561330214337E+03 -0.66221E-03 -0.20470E+00 21924 0.366E+00 0.348E-01
DAV: 2 -0.561332365619E+03 -0.21513E-02 -0.36780E-02 23028 0.460E-01 0.217E-01
DAV: 3 -0.561331785262E+03 0.58036E-03 -0.15211E-03 26580 0.112E-01 0.982E-02
DAV: 4 -0.561331714144E+03 0.71117E-04 -0.42823E-04 26040 0.574E-02 0.259E-02
DAV: 5 -0.561331724979E+03 -0.10835E-04 -0.54956E-05 24132 0.211E-02 0.123E-02
DAV: 6 -0.561331737308E+03 -0.12329E-04 -0.84086E-06 16416 0.873E-03 0.523E-03
DAV: 7 -0.561331748984E+03 -0.11676E-04 -0.25466E-06 16872 0.502E-03 0.217E-03
DAV: 8 -0.561331760413E+03 -0.11428E-04 -0.14153E-06 16236 0.332E-03 0.126E-03
DAV: 9 -0.561331770388E+03 -0.99757E-05 -0.10073E-06 16944 0.233E-03
549 F= -.56133177E+03 E0= -.56133579E+03 d E =-.220947E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561331069933E+03 0.69048E-03 -0.18522E+00 21924 0.348E+00 0.331E-01
DAV: 2 -0.561332999358E+03 -0.19294E-02 -0.33187E-02 22908 0.437E-01 0.207E-01
DAV: 3 -0.561332473103E+03 0.52626E-03 -0.13879E-03 25584 0.107E-01 0.931E-02
DAV: 4 -0.561332404175E+03 0.68928E-04 -0.38655E-04 26796 0.545E-02 0.246E-02
DAV: 5 -0.561332407948E+03 -0.37735E-05 -0.48156E-05 23328 0.197E-02
550 F= -.56133241E+03 E0= -.56133643E+03 d E =-.284703E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561333109558E+03 -0.70538E-03 -0.20773E+00 21924 0.368E+00 0.348E-01
DAV: 2 -0.561335328535E+03 -0.22190E-02 -0.37335E-02 22920 0.462E-01 0.218E-01
DAV: 3 -0.561334748552E+03 0.57998E-03 -0.15267E-03 26748 0.112E-01 0.989E-02
DAV: 4 -0.561334672574E+03 0.75978E-04 -0.44112E-04 25464 0.578E-02 0.257E-02
DAV: 5 -0.561334680218E+03 -0.76433E-05 -0.60582E-05 23940 0.233E-02
551 F= -.56133468E+03 E0= -.56133869E+03 d E =-.227227E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561333702761E+03 0.96981E-03 -0.23600E+00 21924 0.393E+00 0.371E-01
DAV: 2 -0.561336220093E+03 -0.25173E-02 -0.42420E-02 22788 0.493E-01 0.233E-01
DAV: 3 -0.561335560814E+03 0.65928E-03 -0.17374E-03 26904 0.120E-01 0.105E-01
DAV: 4 -0.561335475976E+03 0.84837E-04 -0.49985E-04 25272 0.617E-02 0.275E-02
DAV: 5 -0.561335486193E+03 -0.10217E-04 -0.68942E-05 24060 0.249E-02 0.127E-02
DAV: 6 -0.561335497651E+03 -0.11458E-04 -0.10475E-05 16392 0.956E-03 0.590E-03
DAV: 7 -0.561335509399E+03 -0.11748E-04 -0.31677E-06 16896 0.589E-03 0.227E-03
DAV: 8 -0.561335519858E+03 -0.10459E-04 -0.16451E-06 16368 0.367E-03 0.138E-03
DAV: 9 -0.561335528153E+03 -0.82952E-05 -0.84834E-07 16428 0.245E-03
552 F= -.56133553E+03 E0= -.56133954E+03 d E =-.312020E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561336455429E+03 -0.93557E-03 -0.16251E+00 21924 0.325E+00 0.309E-01
DAV: 2 -0.561338186533E+03 -0.17311E-02 -0.29464E-02 22674 0.411E-01 0.193E-01
DAV: 3 -0.561337730662E+03 0.45587E-03 -0.12208E-03 25548 0.101E-01 0.877E-02
DAV: 4 -0.561337668174E+03 0.62488E-04 -0.35258E-04 26640 0.515E-02 0.234E-02
DAV: 5 -0.561337671628E+03 -0.34544E-05 -0.50639E-05 23892 0.218E-02
553 F= -.56133767E+03 E0= -.56134168E+03 d E =-.214347E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561335813632E+03 0.18545E-02 -0.41481E+00 21924 0.520E+00 0.496E-01
DAV: 2 -0.561340251939E+03 -0.44383E-02 -0.75551E-02 23184 0.657E-01 0.308E-01
DAV: 3 -0.561339094415E+03 0.11575E-02 -0.30881E-03 26496 0.160E-01 0.141E-01
DAV: 4 -0.561338933538E+03 0.16088E-03 -0.90153E-04 26412 0.825E-02 0.375E-02
DAV: 5 -0.561338944644E+03 -0.11106E-04 -0.13093E-04 23844 0.350E-02 0.166E-02
DAV: 6 -0.561338958085E+03 -0.13441E-04 -0.19087E-05 17940 0.125E-02 0.826E-03
DAV: 7 -0.561338973521E+03 -0.15436E-04 -0.49898E-06 16764 0.736E-03 0.298E-03
DAV: 8 -0.561338988008E+03 -0.14487E-04 -0.24089E-06 16488 0.436E-03 0.176E-03
DAV: 9 -0.561339002251E+03 -0.14243E-04 -0.14468E-06 16620 0.340E-03 0.905E-04
DAV: 10 -0.561339014467E+03 -0.12216E-04 -0.14546E-06 16752 0.292E-03 0.104E-03
DAV: 11 -0.561339019525E+03 -0.50576E-05 -0.70451E-07 16956 0.219E-03
554 F= -.56133902E+03 E0= -.56134303E+03 d E =-.349137E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561339573477E+03 -0.55901E-03 -0.25959E+00 21924 0.411E+00 0.392E-01
DAV: 2 -0.561342362155E+03 -0.27887E-02 -0.47017E-02 23082 0.520E-01 0.243E-01
DAV: 3 -0.561341647404E+03 0.71475E-03 -0.19721E-03 25686 0.126E-01 0.110E-01
DAV: 4 -0.561341546796E+03 0.10061E-03 -0.53118E-04 26724 0.645E-02 0.294E-02
DAV: 5 -0.561341549455E+03 -0.26593E-05 -0.74589E-05 24252 0.256E-02
555 F= -.56134155E+03 E0= -.56134557E+03 d E =-.252993E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561339601418E+03 0.19454E-02 -0.38644E+00 21924 0.502E+00 0.479E-01
DAV: 2 -0.561343772809E+03 -0.41714E-02 -0.70206E-02 23016 0.634E-01 0.296E-01
DAV: 3 -0.561342706563E+03 0.10662E-02 -0.29033E-03 26244 0.153E-01 0.135E-01
DAV: 4 -0.561342558911E+03 0.14765E-03 -0.79050E-04 26520 0.786E-02 0.358E-02
DAV: 5 -0.561342569475E+03 -0.10564E-04 -0.11286E-04 23820 0.314E-02 0.163E-02
DAV: 6 -0.561342582784E+03 -0.13309E-04 -0.16427E-05 16740 0.119E-02 0.772E-03
DAV: 7 -0.561342597799E+03 -0.15015E-04 -0.48714E-06 16572 0.757E-03 0.285E-03
DAV: 8 -0.561342611672E+03 -0.13873E-04 -0.25614E-06 16668 0.455E-03 0.179E-03
DAV: 9 -0.561342623353E+03 -0.11680E-04 -0.12582E-06 16416 0.305E-03 0.926E-04
DAV: 10 -0.561342635316E+03 -0.11963E-04 -0.14532E-06 16602 0.285E-03 0.844E-04
DAV: 11 -0.561342639593E+03 -0.42774E-05 -0.61651E-07 16992 0.191E-03
556 F= -.56134264E+03 E0= -.56134666E+03 d E =-.362007E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561342730464E+03 -0.95148E-04 -0.34238E+00 21924 0.473E+00 0.454E-01
DAV: 2 -0.561346367206E+03 -0.36367E-02 -0.62523E-02 23286 0.600E-01 0.278E-01
DAV: 3 -0.561345435776E+03 0.93143E-03 -0.26111E-03 25872 0.144E-01 0.127E-01
DAV: 4 -0.561345300135E+03 0.13564E-03 -0.69340E-04 26772 0.734E-02 0.340E-02
DAV: 5 -0.561345303196E+03 -0.30614E-05 -0.91038E-05 25212 0.280E-02
557 F= -.56134530E+03 E0= -.56134932E+03 d E =-.266360E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561344068042E+03 0.12321E-02 -0.27583E+00 21924 0.424E+00 0.408E-01
DAV: 2 -0.561347015319E+03 -0.29473E-02 -0.50473E-02 23484 0.539E-01 0.250E-01
DAV: 3 -0.561346257337E+03 0.75798E-03 -0.20775E-03 26268 0.128E-01 0.114E-01
DAV: 4 -0.561346153398E+03 0.10394E-03 -0.55957E-04 26340 0.657E-02 0.304E-02
DAV: 5 -0.561346164992E+03 -0.11594E-04 -0.74094E-05 24660 0.254E-02 0.139E-02
DAV: 6 -0.561346179186E+03 -0.14193E-04 -0.11805E-05 16380 0.105E-02 0.628E-03
DAV: 7 -0.561346193681E+03 -0.14496E-04 -0.37103E-06 16932 0.581E-03 0.265E-03
DAV: 8 -0.561346209311E+03 -0.15630E-04 -0.19551E-06 16296 0.413E-03 0.151E-03
DAV: 9 -0.561346222530E+03 -0.13219E-04 -0.12868E-06 16956 0.274E-03 0.981E-04
DAV: 10 -0.561346234754E+03 -0.12223E-04 -0.13720E-06 16476 0.266E-03 0.795E-04
DAV: 11 -0.561346238781E+03 -0.40274E-05 -0.50330E-07 17040 0.160E-03
558 F= -.56134624E+03 E0= -.56135025E+03 d E =-.359919E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561347402039E+03 -0.11673E-02 -0.20383E+00 21924 0.366E+00 0.357E-01
DAV: 2 -0.561349467444E+03 -0.20654E-02 -0.37407E-02 23226 0.464E-01 0.219E-01
DAV: 3 -0.561348865411E+03 0.60203E-03 -0.16738E-03 26400 0.116E-01 0.987E-02
DAV: 4 -0.561348784865E+03 0.80546E-04 -0.44164E-04 26832 0.593E-02 0.271E-02
DAV: 5 -0.561348787605E+03 -0.27397E-05 -0.58413E-05 24360 0.226E-02
559 F= -.56134879E+03 E0= -.56135279E+03 d E =-.254882E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561346248761E+03 0.25361E-02 -0.45971E+00 21924 0.550E+00 0.537E-01
DAV: 2 -0.561350921132E+03 -0.46724E-02 -0.84744E-02 23352 0.698E-01 0.328E-01
DAV: 3 -0.561349566285E+03 0.13548E-02 -0.37218E-03 26988 0.173E-01 0.149E-01
DAV: 4 -0.561349386464E+03 0.17982E-03 -0.10039E-03 26688 0.894E-02 0.409E-02
DAV: 5 -0.561349399385E+03 -0.12921E-04 -0.13425E-04 24528 0.343E-02 0.187E-02
DAV: 6 -0.561349415472E+03 -0.16087E-04 -0.22073E-05 17640 0.139E-02 0.833E-03
DAV: 7 -0.561349431693E+03 -0.16221E-04 -0.49995E-06 16548 0.722E-03 0.349E-03
DAV: 8 -0.561349449831E+03 -0.18138E-04 -0.29530E-06 16614 0.489E-03 0.188E-03
DAV: 9 -0.561349465830E+03 -0.15999E-04 -0.14945E-06 16644 0.349E-03 0.991E-04
DAV: 10 -0.561349480878E+03 -0.15049E-04 -0.17723E-06 16776 0.323E-03 0.108E-03
DAV: 11 -0.561349486219E+03 -0.53406E-05 -0.70319E-07 16968 0.214E-03
560 F= -.56134949E+03 E0= -.56135348E+03 d E =-.324744E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561349361243E+03 0.11964E-03 -0.47217E-01 21924 0.176E+00 0.171E-01
DAV: 2 -0.561349848602E+03 -0.48736E-03 -0.86207E-03 24756 0.223E-01 0.105E-01
DAV: 3 -0.561349709844E+03 0.13876E-03 -0.39311E-04 27120 0.561E-02 0.469E-02
DAV: 4 -0.561349691546E+03 0.18298E-04 -0.10112E-04 26436 0.283E-02 0.129E-02
DAV: 5 -0.561349690660E+03 0.88564E-06 -0.11959E-05 18216 0.108E-02
561 F= -.56134969E+03 E0= -.56135369E+03 d E =-.345188E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561350549194E+03 -0.85765E-03 -0.17790E+00 21924 0.343E+00 0.331E-01
DAV: 2 -0.561352364213E+03 -0.18150E-02 -0.32450E-02 23388 0.433E-01 0.207E-01
DAV: 3 -0.561351829557E+03 0.53466E-03 -0.14385E-03 26664 0.111E-01 0.920E-02
DAV: 4 -0.561351757298E+03 0.72260E-04 -0.41202E-04 25560 0.575E-02 0.245E-02
DAV: 5 -0.561351757221E+03 0.76239E-07 -0.57302E-05 25644 0.226E-02
562 F= -.56135176E+03 E0= -.56135576E+03 d E =-.206656E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561351361880E+03 0.39542E-03 -0.15054E+00 21924 0.316E+00 0.305E-01
DAV: 2 -0.561352911600E+03 -0.15497E-02 -0.27559E-02 23424 0.399E-01 0.190E-01
DAV: 3 -0.561352450577E+03 0.46102E-03 -0.11994E-03 26880 0.102E-01 0.848E-02
DAV: 4 -0.561352390250E+03 0.60327E-04 -0.34841E-04 25884 0.530E-02 0.225E-02
DAV: 5 -0.561352395666E+03 -0.54159E-05 -0.50183E-05 23856 0.212E-02
563 F= -.56135240E+03 E0= -.56135640E+03 d E =-.270501E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561353551365E+03 -0.11611E-02 -0.17792E+00 21924 0.342E+00 0.334E-01
DAV: 2 -0.561355252282E+03 -0.17009E-02 -0.32344E-02 23166 0.433E-01 0.205E-01
DAV: 3 -0.561354688418E+03 0.56386E-03 -0.14660E-03 26112 0.111E-01 0.913E-02
DAV: 4 -0.561354622117E+03 0.66301E-04 -0.42877E-04 26688 0.560E-02 0.256E-02
DAV: 5 -0.561354631036E+03 -0.89190E-05 -0.57709E-05 23904 0.232E-02
564 F= -.56135463E+03 E0= -.56135864E+03 d E =-.223537E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561354201700E+03 0.42042E-03 -0.19416E+00 21924 0.357E+00 0.350E-01
DAV: 2 -0.561356048649E+03 -0.18469E-02 -0.35286E-02 23016 0.453E-01 0.214E-01
DAV: 3 -0.561355429948E+03 0.61870E-03 -0.16081E-03 26220 0.116E-01 0.952E-02
DAV: 4 -0.561355360522E+03 0.69425E-04 -0.46661E-04 26484 0.584E-02 0.268E-02
DAV: 5 -0.561355373005E+03 -0.12483E-04 -0.62713E-05 23964 0.241E-02 0.123E-02
DAV: 6 -0.561355386029E+03 -0.13024E-04 -0.87349E-06 16476 0.885E-03 0.590E-03
DAV: 7 -0.561355401747E+03 -0.15717E-04 -0.35846E-06 16764 0.568E-03 0.218E-03
DAV: 8 -0.561355414491E+03 -0.12744E-04 -0.12587E-06 16620 0.340E-03 0.132E-03
DAV: 9 -0.561355428831E+03 -0.14341E-04 -0.14371E-06 16398 0.292E-03 0.773E-04
DAV: 10 -0.561355437980E+03 -0.91487E-05 -0.10271E-06 16884 0.218E-03
565 F= -.56135544E+03 E0= -.56135945E+03 d E =-.304231E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561356309378E+03 -0.88055E-03 -0.21447E+00 21924 0.374E+00 0.366E-01
DAV: 2 -0.561358333890E+03 -0.20245E-02 -0.38889E-02 23058 0.476E-01 0.224E-01
DAV: 3 -0.561357658881E+03 0.67501E-03 -0.18201E-03 25410 0.121E-01 0.100E-01
DAV: 4 -0.561357571062E+03 0.87819E-04 -0.48550E-04 26916 0.605E-02 0.290E-02
DAV: 5 -0.561357573769E+03 -0.27073E-05 -0.64032E-05 24288 0.239E-02
566 F= -.56135757E+03 E0= -.56136158E+03 d E =-.213579E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561355498365E+03 0.20727E-02 -0.40125E+00 21924 0.512E+00 0.502E-01
DAV: 2 -0.561359286728E+03 -0.37884E-02 -0.73016E-02 23346 0.651E-01 0.307E-01
DAV: 3 -0.561358019734E+03 0.12670E-02 -0.33738E-03 26208 0.166E-01 0.138E-01
DAV: 4 -0.561357858340E+03 0.16139E-03 -0.91408E-04 26688 0.830E-02 0.398E-02
DAV: 5 -0.561357871893E+03 -0.13553E-04 -0.12190E-04 23808 0.330E-02 0.176E-02
DAV: 6 -0.561357889603E+03 -0.17711E-04 -0.17906E-05 17352 0.127E-02 0.805E-03
DAV: 7 -0.561357910062E+03 -0.20458E-04 -0.55960E-06 16068 0.757E-03 0.307E-03
DAV: 8 -0.561357928511E+03 -0.18449E-04 -0.26720E-06 17208 0.458E-03 0.182E-03
DAV: 9 -0.561357947690E+03 -0.19179E-04 -0.18761E-06 16200 0.339E-03 0.998E-04
DAV: 10 -0.561357962089E+03 -0.14399E-04 -0.17159E-06 17112 0.272E-03 0.833E-04
DAV: 11 -0.561357969219E+03 -0.71302E-05 -0.85465E-07 16584 0.184E-03
567 F= -.56135797E+03 E0= -.56136196E+03 d E =-.253124E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561357836888E+03 0.12520E-03 -0.59334E-01 21924 0.197E+00 0.191E-01
DAV: 2 -0.561358405976E+03 -0.56909E-03 -0.10697E-02 24696 0.250E-01 0.118E-01
DAV: 3 -0.561358219009E+03 0.18697E-03 -0.51449E-04 26400 0.643E-02 0.520E-02
DAV: 4 -0.561358194871E+03 0.24138E-04 -0.13216E-04 26496 0.316E-02 0.151E-02
DAV: 5 -0.561358193469E+03 0.14017E-05 -0.15977E-05 18936 0.126E-02
568 F= -.56135819E+03 E0= -.56136219E+03 d E =-.275549E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561358754378E+03 -0.55951E-03 -0.28400E+00 21924 0.431E+00 0.423E-01
DAV: 2 -0.561361435967E+03 -0.26816E-02 -0.52009E-02 23346 0.549E-01 0.261E-01
DAV: 3 -0.561360539929E+03 0.89604E-03 -0.24720E-03 25788 0.142E-01 0.117E-01
DAV: 4 -0.561360411221E+03 0.12871E-03 -0.61327E-04 26556 0.701E-02 0.338E-02
DAV: 5 -0.561360410397E+03 0.82433E-06 -0.86833E-05 25584 0.270E-02
569 F= -.56136041E+03 E0= -.56136441E+03 d E =-.221693E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561360002924E+03 0.40830E-03 -0.82287E-01 21924 0.232E+00 0.228E-01
DAV: 2 -0.561360787956E+03 -0.78503E-03 -0.15113E-02 23292 0.296E-01 0.140E-01
DAV: 3 -0.561360519833E+03 0.26812E-03 -0.70487E-04 26136 0.755E-02 0.628E-02
DAV: 4 -0.561360485826E+03 0.34007E-04 -0.17747E-04 26424 0.376E-02 0.180E-02
DAV: 5 -0.561360492344E+03 -0.65172E-05 -0.24018E-05 18588 0.148E-02
570 F= -.56136049E+03 E0= -.56136449E+03 d E =-.229887E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561361200201E+03 -0.71437E-03 -0.13501E+00 21924 0.296E+00 0.293E-01
DAV: 2 -0.561362429005E+03 -0.12288E-02 -0.24369E-02 22824 0.375E-01 0.178E-01
DAV: 3 -0.561361997548E+03 0.43146E-03 -0.11366E-03 25860 0.956E-02 0.785E-02
DAV: 4 -0.561361947600E+03 0.49947E-04 -0.28785E-04 26520 0.469E-02 0.223E-02
DAV: 5 -0.561361956656E+03 -0.90561E-05 -0.37602E-05 21072 0.182E-02
571 F= -.56136196E+03 E0= -.56136595E+03 d E =-.146431E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561360229256E+03 0.17183E-02 -0.50669E+00 21924 0.574E+00 0.569E-01
DAV: 2 -0.561364827670E+03 -0.45984E-02 -0.91809E-02 22908 0.727E-01 0.345E-01
DAV: 3 -0.561363226110E+03 0.16016E-02 -0.42324E-03 26040 0.185E-01 0.153E-01
DAV: 4 -0.561363024529E+03 0.20158E-03 -0.10935E-03 26832 0.915E-02 0.435E-02
DAV: 5 -0.561363042939E+03 -0.18410E-04 -0.14754E-04 24756 0.354E-02 0.188E-02
DAV: 6 -0.561363063252E+03 -0.20313E-04 -0.19267E-05 18468 0.131E-02 0.849E-03
DAV: 7 -0.561363086288E+03 -0.23036E-04 -0.56443E-06 16368 0.745E-03 0.324E-03
DAV: 8 -0.561363108206E+03 -0.21918E-04 -0.27745E-06 16956 0.477E-03 0.187E-03
DAV: 9 -0.561363131395E+03 -0.23188E-04 -0.22610E-06 16842 0.396E-03 0.103E-03
DAV: 10 -0.561363148416E+03 -0.17021E-04 -0.20309E-06 17364 0.328E-03 0.931E-04
DAV: 11 -0.561363156194E+03 -0.77782E-05 -0.10289E-06 16884 0.221E-03
572 F= -.56136316E+03 E0= -.56136715E+03 d E =-.266385E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.561364749590E+03 -0.16012E-02 -0.85536E-01 21924 0.237E+00 0.229E-01