N E dE d eps ncg rms rms(c) DAV: 1 0.320277135578E+04 0.32028E+04 -0.23709E+05 2560 0.124E+03 DAV: 2 -0.586168072683E+03 -0.37889E+04 -0.37111E+04 2992 0.326E+02 DAV: 3 -0.872514963310E+03 -0.28635E+03 -0.28487E+03 2944 0.979E+01 DAV: 4 -0.877978817777E+03 -0.54639E+01 -0.54447E+01 2992 0.140E+01 DAV: 5 -0.878118914618E+03 -0.14010E+00 -0.13989E+00 2976 0.206E+00 0.803E+01 DAV: 6 -0.777967408425E+03 0.10015E+03 -0.43205E+02 2832 0.352E+01 0.380E+01 DAV: 7 -0.777421533722E+03 0.54587E+00 -0.13105E+01 3144 0.628E+00 0.144E+01 DAV: 8 -0.777163249432E+03 0.25828E+00 -0.15748E+00 2984 0.270E+00 0.607E+00 DAV: 9 -0.777212385656E+03 -0.49136E-01 -0.13281E+00 3248 0.217E+00 0.127E+00 DAV: 10 -0.777223058739E+03 -0.10673E-01 -0.13610E-01 2960 0.948E-01 0.956E-01 DAV: 11 -0.777218200452E+03 0.48583E-02 -0.56244E-02 2944 0.575E-01 0.607E-01 DAV: 12 -0.777214231190E+03 0.39693E-02 -0.21569E-02 3080 0.397E-01 0.323E-01 DAV: 13 -0.777214808041E+03 -0.57685E-03 -0.63973E-03 3160 0.211E-01 0.161E-01 DAV: 14 -0.777214737204E+03 0.70837E-04 -0.46423E-03 3008 0.140E-01 0.146E-01 DAV: 15 -0.777215051644E+03 -0.31444E-03 -0.10393E-02 3984 0.140E-01 0.183E-01 DAV: 16 -0.777214394878E+03 0.65677E-03 -0.36039E-03 3600 0.957E-02 0.330E-02 DAV: 17 -0.777214397607E+03 -0.27296E-05 -0.49640E-04 3016 0.580E-02 0.473E-02 DAV: 18 -0.777214368693E+03 0.28915E-04 -0.26585E-04 3064 0.328E-02 0.155E-02 DAV: 19 -0.777214371459E+03 -0.27662E-05 -0.80109E-05 2776 0.209E-02 1 F= -.77721437E+03 E0= -.77722736E+03 d E =-.777214E+03 N E dE d eps ncg rms rms(c) DAV: 1 -0.741995724991E+03 0.35219E+02 -0.43780E+03 2536 0.141E+02 0.401E+01 DAV: 2 -0.757555813699E+03 -0.15560E+02 -0.21455E+02 2968 0.279E+01 0.138E+01 DAV: 3 -0.753969040950E+03 0.35868E+01 -0.85697E+00 2976 0.796E+00 0.752E+00 DAV: 4 -0.752820516354E+03 0.11485E+01 -0.40188E+00 2936 0.547E+00 0.310E+00 DAV: 5 -0.752741646626E+03 0.78870E-01 -0.10020E+00 3144 0.263E+00 0.233E+00 DAV: 6 -0.752713672267E+03 0.27974E-01 -0.16748E-01 2944 0.946E-01 0.129E+00 DAV: 7 -0.752714420497E+03 -0.74823E-03 -0.16469E-01 3392 0.791E-01 0.104E+00 DAV: 8 -0.752694832309E+03 0.19588E-01 -0.29417E-02 3144 0.436E-01 0.684E-01 DAV: 9 -0.752689352719E+03 0.54796E-02 -0.31944E-02 3200 0.288E-01 0.493E-01 DAV: 10 -0.752686700511E+03 0.26522E-02 -0.25051E-02 3216 0.248E-01 0.315E-01 DAV: 11 -0.752685980778E+03 0.71973E-03 -0.12551E-02 3184 0.186E-01 0.199E-01 DAV: 12 -0.752685845237E+03 0.13554E-03 -0.47689E-03 3192 0.133E-01 0.184E-01 DAV: 13 -0.752685489168E+03 0.35607E-03 -0.15288E-03 3064 0.787E-02 0.873E-02 DAV: 14 -0.752685452704E+03 0.36464E-04 -0.63436E-04 2944 0.496E-02 0.445E-02 DAV: 15 -0.752685451877E+03 0.82748E-06 -0.15072E-04 2976 0.272E-02 0.287E-02 DAV: 16 -0.752685443040E+03 0.88363E-05 -0.27788E-05 1864 0.124E-02 2 F= -.75268544E+03 E0= -.75270378E+03 d E =0.245289E+02 N E dE d eps ncg rms rms(c) DAV: 1 -0.777053963962E+03 -0.24369E+02 -0.21290E+03 2528 0.985E+01 0.222E+01 DAV: 2 -0.783226068905E+03 -0.61721E+01 -0.89028E+01 2968 0.184E+01 0.103E+01 DAV: 3 -0.781710108333E+03 0.15160E+01 -0.33087E+00 2976 0.466E+00 0.650E+00 DAV: 4 -0.781054738106E+03 0.65537E+00 -0.22064E+00 2944 0.411E+00 0.210E+00 DAV: 5 -0.781046275729E+03 0.84624E-02 -0.63691E-01 3192 0.208E+00 0.167E+00 DAV: 6 -0.781037740485E+03 0.85352E-02 -0.11278E-01 2936 0.798E-01 0.101E+00 DAV: 7 -0.781028546622E+03 0.91939E-02 -0.16068E-02 3000 0.379E-01 0.618E-01 DAV: 8 -0.781025366465E+03 0.31802E-02 -0.20981E-02 3056 0.354E-01 0.323E-01 DAV: 9 -0.781023886497E+03 0.14800E-02 -0.73642E-03 3144 0.204E-01 0.177E-01 DAV: 10 -0.781023513779E+03 0.37272E-03 -0.26999E-03 2976 0.140E-01 0.828E-02 DAV: 11 -0.781023411543E+03 0.10224E-03 -0.51287E-04 3048 0.719E-02 0.398E-02 DAV: 12 -0.781023278887E+03 0.13266E-03 -0.17096E-04 3280 0.867E-02 0.240E-02 DAV: 13 -0.781023266241E+03 0.12646E-04 -0.23033E-04 2992 0.478E-02 0.198E-02 DAV: 14 -0.781023260624E+03 0.56176E-05 -0.65805E-05 2944 0.259E-02 3 F= -.78102326E+03 E0= -.78104381E+03 d E =-.380889E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.781035675448E+03 -0.12409E-01 -0.13337E+00 2608 0.246E+00 0.516E-01 DAV: 2 -0.781038373982E+03 -0.26985E-02 -0.44312E-02 2984 0.423E-01 0.203E-01 DAV: 3 -0.781037477554E+03 0.89643E-03 -0.24007E-03 2976 0.126E-01 0.116E-01 DAV: 4 -0.781037270842E+03 0.20671E-03 -0.20795E-03 3024 0.929E-02 0.805E-02 DAV: 5 -0.781037169324E+03 0.10152E-03 -0.93145E-04 3096 0.556E-02 0.345E-02 DAV: 6 -0.781037161115E+03 0.82089E-05 -0.13100E-04 3000 0.310E-02 0.230E-02 DAV: 7 -0.781037157382E+03 0.37330E-05 -0.24986E-05 2056 0.138E-02 4 F= -.78103716E+03 E0= -.78105782E+03 d E =-.382279E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.779515516768E+03 0.15216E+01 -0.74763E+02 2528 0.589E+01 0.110E+01 DAV: 2 -0.780978971551E+03 -0.14635E+01 -0.22271E+01 2976 0.932E+00 0.442E+00 DAV: 3 -0.780640119229E+03 0.33885E+00 -0.84540E-01 2992 0.257E+00 0.243E+00 DAV: 4 -0.780523646136E+03 0.11647E+00 -0.45361E-01 2952 0.189E+00 0.874E-01 DAV: 5 -0.780513861524E+03 0.97846E-02 -0.15002E-01 3144 0.106E+00 0.725E-01 DAV: 6 -0.780510292305E+03 0.35692E-02 -0.34476E-02 3008 0.452E-01 0.463E-01 DAV: 7 -0.780507480850E+03 0.28115E-02 -0.55651E-03 3008 0.230E-01 0.275E-01 DAV: 8 -0.780505188079E+03 0.22928E-02 -0.28646E-03 3448 0.284E-01 0.973E-02 DAV: 9 -0.780504579579E+03 0.60850E-03 -0.36686E-03 3248 0.228E-01 0.831E-02 DAV: 10 -0.780504489567E+03 0.90012E-04 -0.22386E-03 2968 0.118E-01 0.701E-02 DAV: 11 -0.780504458559E+03 0.31008E-04 -0.20623E-04 2968 0.315E-02 0.622E-02 DAV: 12 -0.780504400599E+03 0.57960E-04 -0.36800E-05 2400 0.213E-02 0.409E-02 DAV: 13 -0.780504326583E+03 0.74015E-04 -0.20177E-04 3008 0.629E-02 0.293E-02 DAV: 14 -0.780504317680E+03 0.89032E-05 -0.14670E-04 2984 0.387E-02 0.121E-02 DAV: 15 -0.780504319963E+03 -0.22827E-05 -0.43307E-05 2528 0.138E-02 5 F= -.78050432E+03 E0= -.78052336E+03 d E =0.532837E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.781822122307E+03 -0.13178E+01 -0.21462E+02 2528 0.317E+01 0.539E+00 DAV: 2 -0.782240965956E+03 -0.41884E+00 -0.60364E+00 3000 0.496E+00 0.253E+00 DAV: 3 -0.782141782126E+03 0.99184E-01 -0.25555E-01 2976 0.136E+00 0.144E+00 DAV: 4 -0.782110179033E+03 0.31603E-01 -0.11639E-01 2952 0.911E-01 0.539E-01 DAV: 5 -0.782107357768E+03 0.28213E-02 -0.30016E-02 3176 0.515E-01 0.320E-01 DAV: 6 -0.782106951078E+03 0.40669E-03 -0.12394E-02 2968 0.275E-01 0.244E-01 DAV: 7 -0.782106437099E+03 0.51398E-03 -0.34926E-03 3120 0.111E-01 0.173E-01 DAV: 8 -0.782105919417E+03 0.51768E-03 -0.10129E-03 3120 0.885E-02 0.930E-02 DAV: 9 -0.782105518954E+03 0.40046E-03 -0.56709E-04 3096 0.127E-01 0.297E-02 DAV: 10 -0.782105487949E+03 0.31005E-04 -0.64434E-04 3040 0.787E-02 0.312E-02 DAV: 11 -0.782105468072E+03 0.19878E-04 -0.12341E-04 2952 0.380E-02 0.259E-02 DAV: 12 -0.782105448313E+03 0.19759E-04 -0.13890E-05 1992 0.302E-02 0.161E-02 DAV: 13 -0.782105441421E+03 0.68919E-05 -0.37651E-05 2432 0.264E-02 6 F= -.78210544E+03 E0= -.78212981E+03 d E =-.106828E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.781933547778E+03 0.17190E+00 -0.62823E+02 2528 0.537E+01 0.739E+00 DAV: 2 -0.783139690638E+03 -0.12061E+01 -0.15145E+01 2984 0.766E+00 0.303E+00 DAV: 3 -0.782971542426E+03 0.16815E+00 -0.39840E-01 3000 0.155E+00 0.181E+00 DAV: 4 -0.782910145564E+03 0.61397E-01 -0.37469E-01 2960 0.138E+00 0.941E-01 DAV: 5 -0.782897077018E+03 0.13069E-01 -0.15419E-01 3136 0.792E-01 0.481E-01 DAV: 6 -0.782895162114E+03 0.19149E-02 -0.22617E-02 2944 0.404E-01 0.325E-01 DAV: 7 -0.782893700516E+03 0.14616E-02 -0.44535E-03 2976 0.223E-01 0.173E-01 DAV: 8 -0.782892449830E+03 0.12507E-02 -0.15373E-03 3912 0.230E-01 0.867E-02 DAV: 9 -0.782891893982E+03 0.55585E-03 -0.18331E-03 3088 0.196E-01 0.447E-02 DAV: 10 -0.782891850705E+03 0.43277E-04 -0.11570E-03 2960 0.990E-02 0.632E-02 DAV: 11 -0.782891845594E+03 0.51113E-05 -0.13488E-04 2888 0.232E-02 0.662E-02 DAV: 12 -0.782891836784E+03 0.88094E-05 -0.24468E-06 1720 0.394E-03 7 F= -.78289184E+03 E0= -.78290511E+03 d E =-.786395E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.782963486412E+03 -0.71641E-01 -0.50648E+01 2528 0.153E+01 0.202E+00 DAV: 2 -0.783051327797E+03 -0.87841E-01 -0.11129E+00 2984 0.209E+00 0.824E-01 DAV: 3 -0.783038186534E+03 0.13141E-01 -0.26961E-02 2992 0.417E-01 0.489E-01 DAV: 4 -0.783033735444E+03 0.44511E-02 -0.25799E-02 2944 0.391E-01 0.238E-01