N E dE d eps ncg rms rms(c) DAV: 1 0.232788140650E+04 0.23279E+04 -0.19963E+05 3136 0.175E+03 DAV: 2 -0.371325964004E+03 -0.26992E+04 -0.26112E+04 4032 0.340E+02 DAV: 3 -0.557505726400E+03 -0.18618E+03 -0.18514E+03 3840 0.933E+01 DAV: 4 -0.559932554098E+03 -0.24268E+01 -0.24183E+01 4032 0.114E+01 DAV: 5 -0.559973023768E+03 -0.40470E-01 -0.40444E-01 3808 0.145E+00 0.917E+01 DAV: 6 -0.506120501921E+03 0.53853E+02 -0.18775E+02 3808 0.301E+01 0.404E+01 DAV: 7 -0.505991618640E+03 0.12888E+00 -0.11383E+01 3808 0.730E+00 0.188E+01 DAV: 8 -0.505793197739E+03 0.19842E+00 -0.81153E-01 3808 0.243E+00 0.278E+00 DAV: 9 -0.505807143681E+03 -0.13946E-01 -0.68170E-02 3872 0.657E-01 0.961E-01 DAV: 10 -0.505819325742E+03 -0.12182E-01 -0.13402E-02 3584 0.351E-01 0.283E-01 DAV: 11 -0.505821565121E+03 -0.22394E-02 -0.30530E-03 3840 0.189E-01 0.851E-02 DAV: 12 -0.505821859827E+03 -0.29471E-03 -0.48264E-04 3616 0.637E-02 0.517E-02 DAV: 13 -0.505821968698E+03 -0.10887E-03 -0.10929E-04 2624 0.328E-02 0.321E-02 DAV: 14 -0.505821985304E+03 -0.16607E-04 -0.51509E-05 2528 0.316E-02 1 F= -.51160965E+03 E0= -.51160965E+03 d E =-.511610E+03 N E dE d eps ncg rms rms(c) DAV: 1 -0.505818859315E+03 0.31094E-02 -0.14220E+00 3584 0.294E+00 0.690E-01 DAV: 2 -0.505819464234E+03 -0.60492E-03 -0.40282E-02 3936 0.473E-01 0.412E-01 DAV: 3 -0.505818873111E+03 0.59112E-03 -0.15741E-03 3936 0.128E-01 0.184E-01 DAV: 4 -0.505818795714E+03 0.77398E-04 -0.59912E-04 3840 0.714E-02 2 F= -.51161219E+03 E0= -.51161219E+03 d E =-.253795E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505821700797E+03 -0.28277E-02 -0.17196E-01 3584 0.102E+00 0.232E-01 DAV: 2 -0.505821754684E+03 -0.53887E-04 -0.47422E-03 3904 0.164E-01 0.140E-01 DAV: 3 -0.505821677668E+03 0.77016E-04 -0.18754E-04 2816 0.453E-02 3 F= -.51161308E+03 E0= -.51161308E+03 d E =-.342667E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505818020557E+03 0.37341E-02 -0.48680E-01 3584 0.172E+00 0.388E-01 DAV: 2 -0.505816943119E+03 0.10774E-02 -0.13155E-02 4000 0.269E-01 0.131E-01 DAV: 3 -0.505816729273E+03 0.21385E-03 -0.56378E-04 3840 0.689E-02 0.562E-02 DAV: 4 -0.505816697401E+03 0.31871E-04 -0.15389E-04 2624 0.364E-02 4 F= -.51161640E+03 E0= -.51161640E+03 d E =-.332545E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505812585001E+03 0.41443E-02 -0.18888E-01 3584 0.107E+00 0.249E-01 DAV: 2 -0.505812138348E+03 0.44665E-03 -0.50212E-03 4032 0.167E-01 0.863E-02 DAV: 3 -0.505812053820E+03 0.84528E-04 -0.21030E-04 2720 0.433E-02 5 F= -.51161696E+03 E0= -.51161696E+03 d E =-.388296E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505806447178E+03 0.56912E-02 -0.50349E-01 3392 0.174E+00 0.502E-01 DAV: 2 -0.505805267968E+03 0.11792E-02 -0.14145E-02 4000 0.285E-01 0.181E-01 DAV: 3 -0.505805065924E+03 0.20204E-03 -0.10146E-03 3776 0.740E-02 0.750E-02 DAV: 4 -0.505805029343E+03 0.36581E-04 -0.13893E-04 2464 0.370E-02 6 F= -.51161843E+03 E0= -.51161843E+03 d E =-.146691E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505806456749E+03 -0.13908E-02 -0.12590E-02 3584 0.276E-01 0.799E-02 DAV: 2 -0.505806432373E+03 0.24377E-04 -0.34440E-04 3360 0.444E-02 7 F= -.51161850E+03 E0= -.51161850E+03 d E =-.153528E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505804770452E+03 0.16863E-02 -0.23067E-01 3328 0.116E+00 0.239E-01 DAV: 2 -0.505804730935E+03 0.39517E-04 -0.47130E-03 4000 0.164E-01 0.109E-01 DAV: 3 -0.505804666055E+03 0.64881E-04 -0.24678E-04 3168 0.401E-02 8 F= -.51162026E+03 E0= -.51162026E+03 d E =-.176201E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505800488452E+03 0.42425E-02 -0.54553E-01 3200 0.179E+00 0.387E-01 DAV: 2 -0.505800334324E+03 0.15413E-03 -0.10823E-02 4000 0.249E-01 0.189E-01 DAV: 3 -0.505800168506E+03 0.16582E-03 -0.65208E-04 3840 0.647E-02 0.970E-02 DAV: 4 -0.505800138965E+03 0.29541E-04 -0.13747E-04 2432 0.376E-02 9 F= -.51162120E+03 E0= -.51162120E+03 d E =-.270067E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505799382757E+03 0.78575E-03 -0.66065E-02 3456 0.622E-01 0.886E-02 DAV: 2 -0.505799410178E+03 -0.27421E-04 -0.11838E-03 4000 0.821E-02 0.455E-02 DAV: 3 -0.505799395086E+03 0.15092E-04 -0.33711E-05 2240 0.173E-02 10 F= -.51162223E+03 E0= -.51162223E+03 d E =-.103010E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505795986781E+03 0.34234E-02 -0.59397E-01 3200 0.187E+00 0.268E-01 DAV: 2 -0.505796223242E+03 -0.23646E-03 -0.10455E-02 4000 0.245E-01 0.142E-01 DAV: 3 -0.505796066426E+03 0.15682E-03 -0.34233E-04 3936 0.539E-02 0.685E-02 DAV: 4 -0.505796037260E+03 0.29166E-04 -0.13000E-04 2496 0.328E-02 11 F= -.51162420E+03 E0= -.51162420E+03 d E =-.300022E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505784051201E+03 0.12015E-01 -0.23862E+00 3136 0.374E+00 0.536E-01 DAV: 2 -0.505785086543E+03 -0.10353E-02 -0.42788E-02 4000 0.494E-01 0.280E-01 DAV: 3 -0.505784473855E+03 0.61269E-03 -0.13397E-03 3936 0.107E-01 0.136E-01 DAV: 4 -0.505784358889E+03 0.11497E-03 -0.57328E-04 3872 0.660E-02 0.399E-02 DAV: 5 -0.505784367898E+03 -0.90090E-05 -0.74314E-05 2240 0.236E-02 12 F= -.51162321E+03 E0= -.51162321E+03 d E =-.201295E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505792805554E+03 -0.84467E-02 -0.10588E+00 3136 0.249E+00 0.352E-01 DAV: 2 -0.505793224924E+03 -0.41937E-03 -0.18630E-02 3904 0.327E-01 0.183E-01 DAV: 3 -0.505792938374E+03 0.28655E-03 -0.64343E-04 3936 0.732E-02 0.866E-02 DAV: 4 -0.505792883686E+03 0.54687E-04 -0.23052E-04 3136 0.425E-02 13 F= -.51162461E+03 E0= -.51162461E+03 d E =-.340783E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505793500436E+03 -0.56206E-03 -0.13995E-01 3200 0.909E-01 0.146E-01 DAV: 2 -0.505793705092E+03 -0.20466E-03 -0.28535E-03 3872 0.129E-01 0.990E-02 DAV: 3 -0.505793669655E+03 0.35437E-04 -0.68867E-05 2400 0.264E-02 14 F= -.51162584E+03 E0= -.51162584E+03 d E =-.123187E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505793303550E+03 0.40154E-03 -0.32204E-01 3136 0.138E+00 0.246E-01 DAV: 2 -0.505793767909E+03 -0.46436E-03 -0.63285E-03 3936 0.192E-01 0.162E-01 DAV: 3 -0.505793696393E+03 0.71516E-04 -0.16099E-04 2688 0.404E-02 15 F= -.51162655E+03 E0= -.51162655E+03 d E =-.194231E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505794709722E+03 -0.94181E-03 -0.22314E-01 3136 0.113E+00 0.157E-01 DAV: 2 -0.505794973863E+03 -0.26414E-03 -0.37903E-03 3840 0.147E-01 0.721E-02 DAV: 3 -0.505794926686E+03 0.47177E-04 -0.80538E-05 2336 0.271E-02 16 F= -.51162809E+03 E0= -.51162809E+03 d E =-.154094E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505794593272E+03 0.38059E-03 -0.20213E+00 3136 0.340E+00 0.458E-01 DAV: 2 -0.505797083761E+03 -0.24905E-02 -0.35031E-02 3840 0.445E-01 0.210E-01 DAV: 3 -0.505796637938E+03 0.44582E-03 -0.72522E-04 3904 0.794E-02 0.110E-01 DAV: 4 -0.505796543750E+03 0.94188E-04 -0.55802E-04 3872 0.667E-02 17 F= -.51163065E+03 E0= -.51163065E+03 d E =-.410241E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505797323370E+03 -0.68543E-03 -0.17368E-01 3200 0.100E+00 0.163E-01 DAV: 2 -0.505797557943E+03 -0.23457E-03 -0.33242E-03 4032 0.138E-01 0.812E-02 DAV: 3 -0.505797520952E+03 0.36991E-04 -0.84690E-05 2240 0.291E-02 18 F= -.51163223E+03 E0= -.51163223E+03 d E =-.158189E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505795508249E+03 0.20497E-02 -0.15412E+00 3136 0.299E+00 0.488E-01 DAV: 2 -0.505797478805E+03 -0.19706E-02 -0.28500E-02 4032 0.404E-01 0.246E-01 DAV: 3 -0.505797109762E+03 0.36904E-03 -0.81519E-04 3968 0.851E-02 0.972E-02 DAV: 4 -0.505797049693E+03 0.60069E-04 -0.25474E-04 3136 0.454E-02 19 F= -.51163359E+03 E0= -.51163359E+03 d E =-.293887E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505797557087E+03 -0.44732E-03 -0.10312E-01 3200 0.774E-01 0.123E-01 DAV: 2 -0.505797685793E+03 -0.12871E-03 -0.19020E-03 4000 0.104E-01 0.667E-02 DAV: 3 -0.505797657990E+03 0.27802E-04 -0.49821E-05 2240 0.218E-02 20 F= -.51163372E+03 E0= -.51163372E+03 d E =-.307265E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505798683049E+03 -0.99726E-03 -0.45876E-01 3136 0.161E+00 0.173E-01 DAV: 2 -0.505799285808E+03 -0.60276E-03 -0.82948E-03 3840 0.214E-01 0.103E-01 DAV: 3 -0.505799184610E+03 0.10120E-03 -0.13234E-04 2688 0.361E-02 0.560E-02 DAV: 4 -0.505799154881E+03 0.29729E-04 -0.14458E-04 2368 0.356E-02 21 F= -.51163515E+03 E0= -.51163515E+03 d E =-.142910E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505799030844E+03 0.15377E-03 -0.16801E+00 3136 0.308E+00 0.342E-01 DAV: 2 -0.505801188895E+03 -0.21581E-02 -0.29976E-02 3872 0.407E-01 0.201E-01 DAV: 3 -0.505800833269E+03 0.35563E-03 -0.54027E-04 3872 0.695E-02 0.106E-01 DAV: 4 -0.505800736591E+03 0.96678E-04 -0.44806E-04 3840 0.624E-02 22 F= -.51163661E+03 E0= -.51163661E+03 d E =-.289083E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505804151173E+03 -0.33179E-02 -0.46396E-01 3136 0.165E+00 0.298E-01 DAV: 2 -0.505804713139E+03 -0.56197E-03 -0.90976E-03 4000 0.228E-01 0.162E-01 DAV: 3 -0.505804592427E+03 0.12071E-03 -0.25362E-04 3136 0.495E-02 0.784E-02 DAV: 4 -0.505804573167E+03 0.19260E-04 -0.13075E-04 2272 0.338E-02 23 F= -.51163836E+03 E0= -.51163836E+03 d E =-.174709E-02