N E dE d eps ncg rms rms(c) DAV: 1 0.225011952456E+04 0.22501E+04 -0.19296E+05 3136 0.166E+03 DAV: 2 -0.380803693092E+03 -0.26309E+04 -0.25511E+04 4000 0.334E+02 DAV: 3 -0.557488382655E+03 -0.17668E+03 -0.17573E+03 3840 0.911E+01 DAV: 4 -0.559753978220E+03 -0.22656E+01 -0.22575E+01 4000 0.111E+01 DAV: 5 -0.559791887716E+03 -0.37909E-01 -0.37885E-01 3808 0.140E+00 0.915E+01 DAV: 6 -0.506010008651E+03 0.53782E+02 -0.18725E+02 3808 0.301E+01 0.401E+01 DAV: 7 -0.505890546129E+03 0.11946E+00 -0.11398E+01 3808 0.733E+00 0.189E+01 DAV: 8 -0.505692082619E+03 0.19846E+00 -0.80507E-01 3840 0.242E+00 0.286E+00 DAV: 9 -0.505706118133E+03 -0.14036E-01 -0.66798E-02 3776 0.651E-01 0.100E+00 DAV: 10 -0.505718080617E+03 -0.11962E-01 -0.13029E-02 3648 0.345E-01 0.280E-01 DAV: 11 -0.505720432383E+03 -0.23518E-02 -0.30551E-03 3744 0.190E-01 0.844E-02 DAV: 12 -0.505720747692E+03 -0.31531E-03 -0.51068E-04 3680 0.654E-02 0.486E-02 DAV: 13 -0.505720857283E+03 -0.10959E-03 -0.11642E-04 3712 0.323E-02 0.306E-02 DAV: 14 -0.505720872994E+03 -0.15710E-04 -0.39454E-05 3456 0.290E-02 0.672E-03 DAV: 15 -0.505720873165E+03 -0.17155E-06 -0.23070E-05 3712 0.169E-02 1 F= -.51157479E+03 E0= -.51157479E+03 d E =-.511575E+03 N E dE d eps ncg rms rms(c) DAV: 1 -0.505718245889E+03 0.26271E-02 -0.22517E-01 3584 0.116E+00 0.398E-01 DAV: 2 -0.505718185993E+03 0.59896E-04 -0.59837E-03 3840 0.184E-01 0.932E-02 DAV: 3 -0.505718083299E+03 0.10269E-03 -0.39483E-04 4000 0.508E-02 0.413E-02 DAV: 4 -0.505718066628E+03 0.16671E-04 -0.72135E-05 3808 0.242E-02 0.215E-02 DAV: 5 -0.505718065232E+03 0.13962E-05 -0.88972E-06 2464 0.106E-02 2 F= -.51157550E+03 E0= -.51157550E+03 d E =-.709919E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.505718210846E+03 -0.14422E-03 -0.38173E-04 3584 0.478E-02 0.136E-02 DAV: 2 -0.505718210198E+03 0.64769E-06 -0.98829E-06 2720 0.859E-03 3 F= -.51157550E+03 E0= -.51157550E+03 d E =-.710927E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.505717294575E+03 0.91627E-03 -0.41774E-02 3584 0.501E-01 0.107E-01 DAV: 2 -0.505717234695E+03 0.59879E-04 -0.10250E-03 3840 0.810E-02 0.421E-02 DAV: 3 -0.505717217298E+03 0.17397E-04 -0.76244E-05 3936 0.219E-02 0.171E-02 DAV: 4 -0.505717214252E+03 0.30464E-05 -0.93183E-06 2464 0.957E-03 4 F= -.51157594E+03 E0= -.51157594E+03 d E =-.441218E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.505715965089E+03 0.12522E-02 -0.42656E-02 3584 0.507E-01 0.110E-01 DAV: 2 -0.505715902223E+03 0.62866E-04 -0.10521E-03 3840 0.822E-02 0.437E-02 DAV: 3 -0.505715882600E+03 0.19623E-04 -0.77593E-05 3936 0.227E-02 0.179E-02 DAV: 4 -0.505715878683E+03 0.39172E-05 -0.95001E-06 2560 0.105E-02 5 F= -.51157606E+03 E0= -.51157606E+03 d E =-.562260E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.505714579656E+03 0.13029E-02 -0.42324E-02 3520 0.494E-01 0.978E-02 DAV: 2 -0.505714527898E+03 0.51758E-04 -0.96835E-04 3904 0.738E-02 0.351E-02 DAV: 3 -0.505714512374E+03 0.15524E-04 -0.63736E-05 3808 0.191E-02 0.156E-02 DAV: 4 -0.505714510944E+03 0.14300E-05 -0.71805E-06 2272 0.805E-03 6 F= -.51157649E+03 E0= -.51157649E+03 d E =-.424374E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.505710475706E+03 0.40367E-02 -0.38129E-01 3328 0.148E+00 0.294E-01 DAV: 2 -0.505709999743E+03 0.47596E-03 -0.87195E-03 3936 0.221E-01 0.106E-01 DAV: 3 -0.505709859226E+03 0.14052E-03 -0.57334E-04 3808 0.579E-02 0.477E-02 DAV: 4 -0.505709842801E+03 0.16425E-04 -0.74475E-05 3904 0.251E-02 0.247E-02 DAV: 5 -0.505709842291E+03 0.50915E-06 -0.13441E-05 2688 0.123E-02 7 F= -.51157720E+03 E0= -.51157720E+03 d E =-.113581E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505709109714E+03 0.73309E-03 -0.18309E-02 3520 0.326E-01 0.549E-02 DAV: 2 -0.505709100829E+03 0.88846E-05 -0.38290E-04 3904 0.463E-02 0.216E-02 DAV: 3 -0.505709094945E+03 0.58839E-05 -0.22095E-05 2976 0.119E-02 8 F= -.51157757E+03 E0= -.51157757E+03 d E =-.369040E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.505706730292E+03 0.23705E-02 -0.16400E-01 3328 0.975E-01 0.167E-01 DAV: 2 -0.505706630261E+03 0.10003E-03 -0.33924E-03 3936 0.138E-01 0.656E-02 DAV: 3 -0.505706576915E+03 0.53347E-04 -0.21586E-04 3872 0.361E-02 0.278E-02 DAV: 4 -0.505706571607E+03 0.53071E-05 -0.28834E-05 3776 0.145E-02 9 F= -.51157840E+03 E0= -.51157840E+03 d E =-.119629E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505700879645E+03 0.56973E-02 -0.65583E-01 3136 0.195E+00 0.331E-01 DAV: 2 -0.505700506118E+03 0.37353E-03 -0.13669E-02 3904 0.277E-01 0.129E-01 DAV: 3 -0.505700301802E+03 0.20432E-03 -0.83454E-04 3872 0.712E-02 0.547E-02 DAV: 4 -0.505700279552E+03 0.22250E-04 -0.11203E-04 3936 0.289E-02 0.265E-02 DAV: 5 -0.505700278539E+03 0.10133E-05 -0.15683E-05 2592 0.130E-02 10 F= -.51157881E+03 E0= -.51157881E+03 d E =-.161098E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505702060020E+03 -0.17805E-02 -0.41604E-02 3328 0.491E-01 0.833E-02 DAV: 2 -0.505702033448E+03 0.26573E-04 -0.86948E-04 3840 0.701E-02 0.326E-02 DAV: 3 -0.505702021532E+03 0.11916E-04 -0.55057E-05 3872 0.182E-02 0.140E-02 DAV: 4 -0.505702019980E+03 0.15516E-05 -0.67183E-06 2240 0.719E-03 11 F= -.51157886E+03 E0= -.51157886E+03 d E =-.166266E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505700829737E+03 0.11918E-02 -0.72973E-02 3264 0.645E-01 0.975E-02 DAV: 2 -0.505700852344E+03 -0.22607E-04 -0.14687E-03 3840 0.905E-02 0.401E-02 DAV: 3 -0.505700831770E+03 0.20573E-04 -0.55954E-05 3968 0.197E-02 0.178E-02 DAV: 4 -0.505700828913E+03 0.28571E-05 -0.10752E-05 2304 0.945E-03 12 F= -.51157923E+03 E0= -.51157923E+03 d E =-.363496E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.505696769040E+03 0.40627E-02 -0.65489E-01 3136 0.193E+00 0.295E-01 DAV: 2 -0.505696966558E+03 -0.19752E-03 -0.13074E-02 3840 0.270E-01 0.121E-01 DAV: 3 -0.505696792748E+03 0.17381E-03 -0.50052E-04 3968 0.588E-02 0.534E-02 DAV: 4 -0.505696768920E+03 0.23828E-04 -0.10599E-04 3904 0.284E-02 0.224E-02 DAV: 5 -0.505696769892E+03 -0.97224E-06 -0.15345E-05 2592 0.122E-02 13 F= -.51157984E+03 E0= -.51157984E+03 d E =-.973982E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.505695409043E+03 0.13599E-02 -0.59161E-02 3200 0.580E-01 0.899E-02 DAV: 2 -0.505695431003E+03 -0.21960E-04 -0.11879E-03 3840 0.812E-02 0.371E-02 DAV: 3 -0.505695415163E+03 0.15840E-04 -0.44842E-05 3936 0.177E-02 0.160E-02 DAV: 4 -0.505695413400E+03 0.17622E-05 -0.86865E-06 2272 0.852E-03 14 F= -.51157988E+03 E0= -.51157988E+03 d E =-.101963E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505695095481E+03 0.31968E-03 -0.11736E-01 3200 0.810E-01 0.986E-02 DAV: 2 -0.505695248146E+03 -0.15266E-03 -0.22924E-03 3840 0.112E-01 0.467E-02 DAV: 3 -0.505695226691E+03 0.21456E-04 -0.51093E-05 3872 0.199E-02 0.225E-02 DAV: 4 -0.505695222575E+03 0.41155E-05 -0.16060E-05 2432 0.123E-02 15 F= -.51158047E+03 E0= -.51158047E+03 d E =-.591908E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.505693492200E+03 0.17345E-02 -0.55132E-01 3136 0.175E+00 0.213E-01 DAV: 2 -0.505694209137E+03 -0.71694E-03 -0.10813E-02 3840 0.243E-01 0.100E-01 DAV: 3 -0.505694108547E+03 0.10059E-03 -0.23807E-04 3872 0.431E-02 0.486E-02 DAV: 4 -0.505694088314E+03 0.20233E-04 -0.83387E-05 3936 0.269E-02 0.144E-02 DAV: 5 -0.505694090207E+03 -0.18930E-05 -0.14042E-05 2240 0.108E-02 16 F= -.51158104E+03 E0= -.51158104E+03 d E =-.115935E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505694004203E+03 0.84111E-04 -0.91987E-02 3200 0.717E-01 0.839E-02 DAV: 2 -0.505694138176E+03 -0.13397E-03 -0.17292E-03 3808 0.966E-02 0.384E-02 DAV: 3 -0.505694123651E+03 0.14525E-04 -0.29461E-05 3552 0.156E-02 0.209E-02 DAV: 4 -0.505694120095E+03 0.35560E-05 -0.18886E-05 2624 0.124E-02 17 F= -.51158161E+03 E0= -.51158161E+03 d E =-.564135E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.505692851728E+03 0.12719E-02 -0.82694E-01 3136 0.215E+00 0.251E-01 DAV: 2 -0.505694022788E+03 -0.11711E-02 -0.15426E-02 3808 0.289E-01 0.116E-01 DAV: 3 -0.505693888690E+03 0.13410E-03 -0.27811E-04 3936 0.472E-02 0.629E-02 DAV: 4 -0.505693854418E+03 0.34272E-04 -0.16951E-04 3808 0.363E-02 0.149E-02 DAV: 5 -0.505693855361E+03 -0.94246E-06 -0.22307E-05 2944 0.145E-02 18 F= -.51158295E+03 E0= -.51158295E+03 d E =-.190840E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505687690263E+03 0.61642E-02 -0.33057E+00 3136 0.430E+00 0.503E-01 DAV: 2 -0.505692386692E+03 -0.46964E-02 -0.61836E-02 3808 0.578E-01 0.231E-01 DAV: 3 -0.505691850184E+03 0.53651E-03 -0.10867E-03 3904 0.937E-02 0.126E-01 DAV: 4 -0.505691712883E+03 0.13730E-03 -0.68641E-04 3840 0.729E-02 0.294E-02 DAV: 5 -0.505691716336E+03 -0.34524E-05 -0.92523E-05 3840 0.292E-02 19 F= -.51158406E+03 E0= -.51158406E+03 d E =-.301543E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505691799002E+03 -0.86118E-04 -0.28865E-01 3136 0.127E+00 0.137E-01 DAV: 2 -0.505692255503E+03 -0.45650E-03 -0.54966E-03 3808 0.170E-01 0.696E-02 DAV: 3 -0.505692206321E+03 0.49182E-04 -0.77010E-05 3808 0.273E-02 0.370E-02 DAV: 4 -0.505692196043E+03 0.10278E-04 -0.65769E-05 3840 0.217E-02 0.909E-03 DAV: 5 -0.505692196219E+03 -0.17623E-06 -0.82512E-06 2240 0.940E-03 20 F= -.51158484E+03 E0= -.51158484E+03 d E =-.779105E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.505690502323E+03 0.16937E-02 -0.13641E+00 3136 0.275E+00 0.290E-01 DAV: 2 -0.505692582485E+03 -0.20802E-02 -0.25535E-02 3808 0.368E-01 0.151E-01 DAV: 3 -0.505692340346E+03 0.24214E-03 -0.36943E-04 3808 0.586E-02 0.807E-02 DAV: 4 -0.505692281440E+03 0.58906E-04 -0.31047E-04 3840 0.480E-02 0.191E-02 DAV: 5 -0.505692283280E+03 -0.18404E-05 -0.43311E-05 3584 0.197E-02 21 F= -.51158558E+03 E0= -.51158558E+03 d E =-.152620E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505693185598E+03 -0.90416E-03 -0.96920E-02 3200 0.741E-01 0.119E-01 DAV: 2 -0.505693337084E+03 -0.15149E-03 -0.19078E-03 3872 0.101E-01 0.438E-02 DAV: 3 -0.505693321089E+03 0.15995E-04 -0.31134E-05 3456 0.164E-02 0.231E-02 DAV: 4 -0.505693317445E+03 0.36449E-05 -0.17676E-05 2368 0.123E-02 22 F= -.51158606E+03 E0= -.51158606E+03 d E =-.477609E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.505694406549E+03 -0.10855E-02 -0.40143E-01 3136 0.151E+00 0.245E-01 DAV: 2 -0.505695016872E+03 -0.61032E-03 -0.77721E-03 3872 0.205E-01 0.904E-02 DAV: 3 -0.505694945666E+03 0.71206E-04 -0.13870E-04 3968 0.342E-02 0.458E-02 DAV: 4 -0.505694929639E+03 0.16027E-04 -0.71529E-05 3776 0.242E-02 0.119E-02 DAV: 5 -0.505694929746E+03 -0.10696E-06 -0.93158E-06 2240 0.975E-03 23 F= -.51158654E+03 E0= -.51158654E+03 d E =-.960493E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.505695624065E+03 -0.69443E-03 -0.18984E-01 3136 0.104E+00 0.115E-01 DAV: 2 -0.505695865512E+03 -0.24145E-03 -0.35441E-03 3808 0.141E-01 0.568E-02 DAV: 3 -0.505695831458E+03 0.34054E-04 -0.80074E-05 4000 0.257E-02 0.315E-02 DAV: 4 -0.505695819947E+03 0.11511E-04 -0.39681E-05 3520 0.185E-02 0.905E-03 DAV: 5 -0.505695819357E+03 0.58988E-06 -0.56062E-06 2240 0.839E-03 24 F= -.51158720E+03 E0= -.51158720E+03 d E =-.653635E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.505696112562E+03 -0.29262E-03 -0.38866E-01 3136 0.149E+00 0.165E-01 DAV: 2 -0.505696598797E+03 -0.48623E-03 -0.72169E-03 3808 0.202E-01 0.816E-02 DAV: 3 -0.505696528063E+03 0.70734E-04 -0.16662E-04 4000 0.372E-02 0.452E-02 DAV: 4 -0.505696503603E+03 0.24461E-04 -0.80960E-05 3840 0.271E-02 0.132E-02 DAV: 5 -0.505696502311E+03 0.12914E-05 -0.11936E-05 2272 0.124E-02 25 F= -.51158755E+03 E0= -.51158755E+03 d E =-.100197E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505696563445E+03 -0.59842E-04 -0.15795E-01 3200 0.943E-01 0.112E-01 DAV: 2 -0.505696786222E+03 -0.22278E-03 -0.29455E-03 3872 0.127E-01 0.565E-02 DAV: 3 -0.505696757876E+03 0.28346E-04 -0.50854E-05 3872 0.217E-02 0.306E-02 DAV: 4 -0.505696749535E+03 0.83408E-05 -0.35863E-05 3552 0.168E-02 26 F= -.51158791E+03 E0= -.51158791E+03 d E =-.368676E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.505696634635E+03 0.12324E-03 -0.15077E-01 3136 0.921E-01 0.111E-01 DAV: 2 -0.505696844085E+03 -0.20945E-03 -0.28065E-03 3872 0.124E-01 0.560E-02 DAV: 3 -0.505696817525E+03 0.26560E-04 -0.52175E-05 3872 0.215E-02 0.304E-02 DAV: 4 -0.505696809502E+03 0.80234E-05 -0.34616E-05 3456 0.166E-02 27 F= -.51158809E+03 E0= -.51158809E+03 d E =-.548496E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.505697055179E+03 -0.23765E-03 -0.17175E-01 3200 0.984E-01 0.106E-01 DAV: 2 -0.505697313827E+03 -0.25865E-03 -0.32817E-03 3808 0.134E-01 0.574E-02 DAV: 3 -0.505697282935E+03 0.30892E-04 -0.55152E-05 3872 0.228E-02 0.312E-02 DAV: 4 -0.505697275445E+03 0.74901E-05 -0.40432E-05 3680 0.171E-02 28 F= -.51158868E+03 E0= -.51158868E+03 d E =-.581948E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.505697370528E+03 -0.87593E-04 -0.66492E-02 3200 0.612E-01 0.660E-02 DAV: 2 -0.505697471902E+03 -0.10137E-03 -0.12810E-03 3808 0.835E-02 0.359E-02 DAV: 3 -0.505697460113E+03 0.11789E-04 -0.20156E-05 2912 0.144E-02 0.198E-02 DAV: 4 -0.505697457471E+03 0.26413E-05 -0.19728E-05 2720 0.119E-02 29 F= -.51158893E+03 E0= -.51158893E+03 d E =-.836426E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.505697217281E+03 0.24283E-03 -0.26545E-01 3136 0.122E+00 0.130E-01 DAV: 2 -0.505697620122E+03 -0.40284E-03 -0.50905E-03 3808 0.166E-01 0.712E-02 DAV: 3 -0.505697571335E+03 0.48787E-04 -0.84263E-05 3872 0.284E-02 0.392E-02 DAV: 4 -0.505697558870E+03 0.12465E-04 -0.62764E-05 3808 0.212E-02 0.101E-02 DAV: 5 -0.505697558888E+03 -0.18357E-07 -0.79883E-06 2240 0.964E-03 30 F= -.51158918E+03 E0= -.51158918E+03 d E =-.108361E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505697251647E+03 0.30722E-03 -0.10187E-01 3136 0.761E-01 0.976E-02 DAV: 2 -0.505697412500E+03 -0.16085E-03 -0.19507E-03 3808 0.102E-01 0.418E-02 DAV: 3 -0.505697396223E+03 0.16277E-04 -0.26588E-05 3424 0.164E-02 0.230E-02 DAV: 4 -0.505697393609E+03 0.26141E-05 -0.30029E-05 3392 0.148E-02 31 F= -.51158956E+03 E0= -.51158956E+03 d E =-.380170E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.505695893257E+03 0.15030E-02 -0.56070E-01 3136 0.178E+00 0.229E-01 DAV: 2 -0.505696771691E+03 -0.87843E-03 -0.10748E-02 3808 0.240E-01 0.990E-02 DAV: 3 -0.505696679592E+03 0.92100E-04 -0.15678E-04 3872 0.393E-02 0.546E-02 DAV: 4 -0.505696661940E+03 0.17652E-04 -0.15117E-04 3872 0.341E-02 0.132E-02 DAV: 5 -0.505696661123E+03 0.81697E-06 -0.21429E-05 2848 0.141E-02 32 F= -.51159011E+03 E0= -.51159011E+03 d E =-.929838E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.505690677916E+03 0.59840E-02 -0.22371E+00 3136 0.357E+00 0.454E-01 DAV: 2 -0.505694196878E+03 -0.35190E-02 -0.42902E-02 3808 0.479E-01 0.197E-01 DAV: 3 -0.505693825591E+03 0.37129E-03 -0.61851E-04 3872 0.780E-02 0.109E-01 DAV: 4 -0.505693751377E+03 0.74215E-04 -0.60090E-04 3872 0.679E-02 0.262E-02 DAV: 5 -0.505693748236E+03 0.31406E-05 -0.89254E-05 3648 0.281E-02 33 F= -.51158977E+03 E0= -.51158977E+03 d E =-.595032E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.505694581550E+03 -0.83017E-03 -0.10552E+00 3136 0.245E+00 0.306E-01 DAV: 2 -0.505696183923E+03 -0.16024E-02 -0.19796E-02 3808 0.326E-01 0.135E-01 DAV: 3 -0.505696001205E+03 0.18272E-03 -0.29514E-04 3872 0.529E-02 0.740E-02 DAV: 4 -0.505695957540E+03 0.43665E-04 -0.27685E-04 3840 0.463E-02 0.169E-02 DAV: 5 -0.505695956664E+03 0.87667E-06 -0.40592E-05 3552 0.186E-02 34 F= -.51159021E+03 E0= -.51159021E+03 d E =-.103138E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505695152853E+03 0.80469E-03 -0.45908E-02 3136 0.512E-01 0.772E-02 DAV: 2 -0.505695213047E+03 -0.60194E-04 -0.93306E-04 3808 0.721E-02 0.335E-02 DAV: 3 -0.505695200971E+03 0.12076E-04 -0.20238E-05 2752 0.151E-02 0.164E-02 DAV: 4 -0.505695198247E+03 0.27244E-05 -0.12700E-05 2240 0.105E-02 35 F= -.51159039E+03 E0= -.51159039E+03 d E =-.176361E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.505694310515E+03 0.89046E-03 -0.42627E-02 3136 0.493E-01 0.748E-02 DAV: 2 -0.505694370671E+03 -0.60155E-04 -0.89440E-04 3872 0.704E-02 0.320E-02 DAV: 3 -0.505694360617E+03 0.10053E-04 -0.18051E-05 2656 0.145E-02 0.161E-02 DAV: 4 -0.505694358395E+03 0.22226E-05 -0.11724E-05 2240 0.102E-02 36 F= -.51159045E+03 E0= -.51159045E+03 d E =-.237183E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.505693421292E+03 0.93933E-03 -0.50469E-02 3136 0.537E-01 0.941E-02 DAV: 2 -0.505693476351E+03 -0.55058E-04 -0.10616E-03 3872 0.766E-02 0.322E-02 DAV: 3 -0.505693465840E+03 0.10511E-04 -0.25755E-05 3296 0.154E-02 0.168E-02 DAV: 4 -0.505693463772E+03 0.20678E-05 -0.10515E-05 2240 0.957E-03 37 F= -.51159063E+03 E0= -.51159063E+03 d E =-.186630E-03