Stage_1/0.005_+e2 OSZICAR.out output for 744: XXX MT amorphous(poly(oxydiphenylene_pyromellitide)) from job 738 (test-3)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.395254117430E+04 0.39525E+04 -0.28945E+05 890 0.112E+03
DAV: 2 -0.105203212010E+04 -0.50046E+04 -0.48240E+04 1156 0.299E+02
DAV: 3 -0.152562724913E+04 -0.47360E+03 -0.46868E+03 1028 0.978E+01
DAV: 4 -0.153768711806E+04 -0.12060E+02 -0.12011E+02 1076 0.168E+01
DAV: 5 -0.153808378022E+04 -0.39666E+00 -0.39606E+00 1100 0.284E+00 0.625E+01
DAV: 6 -0.144826355080E+04 0.89820E+02 -0.17425E+02 996 0.197E+01 0.340E+01
DAV: 7 -0.143048820320E+04 0.17775E+02 -0.47960E+01 1060 0.114E+01 0.159E+01
DAV: 8 -0.142863792494E+04 0.18503E+01 -0.10666E+01 1036 0.500E+00 0.580E+00
DAV: 9 -0.142858752620E+04 0.50399E-01 -0.13040E+00 1052 0.236E+00 0.198E+00
DAV: 10 -0.142858510875E+04 0.24174E-02 -0.34243E-01 996 0.114E+00 0.699E-01
DAV: 11 -0.142859183095E+04 -0.67222E-02 -0.80252E-02 1004 0.496E-01 0.398E-01
DAV: 12 -0.142859272954E+04 -0.89859E-03 -0.11058E-02 996 0.241E-01 0.231E-01
DAV: 13 -0.142859184631E+04 0.88323E-03 -0.64449E-03 964 0.211E-01 0.112E-01
DAV: 14 -0.142859021066E+04 0.16357E-02 -0.32753E-03 1084 0.152E-01 0.679E-02
DAV: 15 -0.142858967525E+04 0.53541E-03 -0.13921E-03 1028 0.855E-02 0.419E-02
DAV: 16 -0.142858949156E+04 0.18368E-03 -0.22780E-04 1052 0.392E-02 0.247E-02
DAV: 17 -0.142858941116E+04 0.80399E-04 -0.39769E-05 1012 0.282E-02 0.130E-02
DAV: 18 -0.142858937049E+04 0.40677E-04 -0.26060E-05 964 0.270E-02 0.784E-03
DAV: 19 -0.142858935128E+04 0.19209E-04 -0.42376E-05 1100 0.236E-02 0.627E-03
DAV: 20 -0.142858934243E+04 0.88520E-05 -0.24228E-05 860 0.158E-02
1 F= -.14285893E+04 E0= -.14286057E+04 d E =-.142859E+04
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142837256973E+04 0.21678E+00 -0.24200E+01 900 0.812E+00 0.147E+00
DAV: 2 -0.142843801105E+04 -0.65441E-01 -0.91497E-01 1044 0.135E+00 0.867E-01
DAV: 3 -0.142842664331E+04 0.11368E-01 -0.27902E-02 1028 0.323E-01 0.512E-01
DAV: 4 -0.142842379893E+04 0.28444E-02 -0.15292E-02 1020 0.236E-01 0.173E-01
DAV: 5 -0.142842388025E+04 -0.81316E-04 -0.33249E-03 1044 0.106E-01 0.754E-02
DAV: 6 -0.142842381937E+04 0.60877E-04 -0.32622E-04 1004 0.376E-02 0.397E-02
DAV: 7 -0.142842378001E+04 0.39362E-04 -0.78614E-05 1060 0.211E-02 0.224E-02
DAV: 8 -0.142842375302E+04 0.26988E-04 -0.18201E-05 756 0.163E-02 0.907E-03
DAV: 9 -0.142842373604E+04 0.16977E-04 -0.15172E-05 756 0.165E-02 0.552E-03
DAV: 10 -0.142842372636E+04 0.96808E-05 -0.19042E-05 796 0.170E-02
2 F= -.14284237E+04 E0= -.14284416E+04 d E =0.165616E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142856782714E+04 -0.14409E+00 -0.15050E+01 900 0.641E+00 0.116E+00
DAV: 2 -0.142861081816E+04 -0.42991E-01 -0.60181E-01 1052 0.109E+00 0.700E-01
DAV: 3 -0.142860359830E+04 0.72199E-02 -0.16937E-02 1036 0.252E-01 0.434E-01
DAV: 4 -0.142860155712E+04 0.20412E-02 -0.10808E-02 1028 0.194E-01 0.150E-01
DAV: 5 -0.142860160697E+04 -0.49846E-04 -0.23430E-03 1036 0.899E-02 0.621E-02
DAV: 6 -0.142860156574E+04 0.41229E-04 -0.22920E-04 1012 0.312E-02 0.329E-02
DAV: 7 -0.142860153929E+04 0.26449E-04 -0.56576E-05 1044 0.174E-02 0.191E-02
DAV: 8 -0.142860152086E+04 0.18427E-04 -0.11348E-05 700 0.123E-02 0.782E-03
DAV: 9 -0.142860150901E+04 0.11849E-04 -0.10221E-05 676 0.124E-02 0.466E-03
DAV: 10 -0.142860150135E+04 0.76656E-05 -0.12395E-05 708 0.141E-02
3 F= -.14286015E+04 E0= -.14286183E+04 d E =-.121589E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142860716460E+04 -0.56556E-02 -0.44136E+00 900 0.364E+00 0.588E-01
DAV: 2 -0.142861667652E+04 -0.95119E-02 -0.12944E-01 1020 0.555E-01 0.390E-01
DAV: 3 -0.142861510208E+04 0.15744E-02 -0.44881E-03 1020 0.148E-01 0.241E-01
DAV: 4 -0.142861495025E+04 0.15183E-03 -0.39428E-03 988 0.112E-01 0.898E-02
DAV: 5 -0.142861492940E+04 0.20853E-04 -0.49711E-04 1108 0.493E-02 0.436E-02
DAV: 6 -0.142861492542E+04 0.39800E-05 -0.12841E-04 1036 0.217E-02 0.233E-02
DAV: 7 -0.142861491949E+04 0.59337E-05 -0.17353E-05 668 0.105E-02
4 F= -.14286149E+04 E0= -.14286313E+04 d E =-.134181E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861546148E+04 -0.53606E-03 -0.16633E-01 900 0.707E-01 0.114E-01
DAV: 2 -0.142861580097E+04 -0.33949E-03 -0.47838E-03 1020 0.106E-01 0.752E-02
DAV: 3 -0.142861574163E+04 0.59340E-04 -0.16344E-04 1020 0.284E-02 0.466E-02
DAV: 4 -0.142861573507E+04 0.65645E-05 -0.14693E-04 996 0.219E-02 0.173E-02
DAV: 5 -0.142861573380E+04 0.12623E-05 -0.18464E-05 660 0.987E-03
5 F= -.14286157E+04 E0= -.14286320E+04 d E =-.142325E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142860092216E+04 0.14813E-01 -0.41081E+00 890 0.347E+00 0.535E-01
DAV: 2 -0.142860893093E+04 -0.80088E-02 -0.11655E-01 1036 0.514E-01 0.313E-01
DAV: 3 -0.142860780675E+04 0.11242E-02 -0.36333E-03 1044 0.123E-01 0.192E-01
DAV: 4 -0.142860764962E+04 0.15713E-03 -0.25856E-03 1012 0.948E-02 0.702E-02
DAV: 5 -0.142860764686E+04 0.27593E-05 -0.42066E-04 1012 0.413E-02 0.327E-02
DAV: 6 -0.142860764750E+04 -0.63839E-06 -0.79486E-05 1004 0.155E-02
6 F= -.14286076E+04 E0= -.14286239E+04 d E =0.808631E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861737679E+04 -0.97299E-02 -0.16177E+00 900 0.217E+00 0.336E-01
DAV: 2 -0.142862051837E+04 -0.31416E-02 -0.46659E-02 1028 0.324E-01 0.198E-01
DAV: 3 -0.142862006079E+04 0.45758E-03 -0.14435E-03 1036 0.779E-02 0.122E-01
DAV: 4 -0.142861998643E+04 0.74358E-04 -0.10645E-03 1012 0.604E-02 0.455E-02
DAV: 5 -0.142861998563E+04 0.80695E-06 -0.17042E-04 1012 0.264E-02 0.205E-02
DAV: 6 -0.142861998522E+04 0.41028E-06 -0.31154E-05 748 0.970E-03
7 F= -.14286200E+04 E0= -.14286362E+04 d E =-.425141E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862110879E+04 -0.11232E-02 -0.43912E-01 900 0.114E+00 0.153E-01
DAV: 2 -0.142862205425E+04 -0.94546E-03 -0.11908E-02 1052 0.167E-01 0.955E-02
DAV: 3 -0.142862198065E+04 0.73600E-04 -0.41973E-04 1060 0.376E-02 0.584E-02
DAV: 4 -0.142862195715E+04 0.23496E-04 -0.14863E-04 1012 0.248E-02 0.200E-02
DAV: 5 -0.142862195647E+04 0.67955E-06 -0.29306E-05 764 0.125E-02
8 F= -.14286220E+04 E0= -.14286381E+04 d E =-.197126E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862196181E+04 -0.46600E-05 -0.17776E-03 900 0.727E-02 0.977E-03
DAV: 2 -0.142862196391E+04 -0.20943E-05 -0.44463E-05 804 0.109E-02
9 F= -.14286220E+04 E0= -.14286381E+04 d E =-.197869E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862306091E+04 -0.10991E-02 -0.24718E-01 900 0.846E-01 0.110E-01
DAV: 2 -0.142862356269E+04 -0.50178E-03 -0.61333E-03 1020 0.116E-01 0.705E-02
DAV: 3 -0.142862352867E+04 0.34026E-04 -0.18861E-04 1076 0.262E-02 0.440E-02
DAV: 4 -0.142862351924E+04 0.94256E-05 -0.85361E-05 972 0.180E-02
10 F= -.14286235E+04 E0= -.14286397E+04 d E =-.155533E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862359587E+04 -0.67205E-04 -0.32674E-02 900 0.307E-01 0.431E-02
DAV: 2 -0.142862366223E+04 -0.66357E-04 -0.81117E-04 1028 0.424E-02 0.272E-02
DAV: 3 -0.142862365772E+04 0.45056E-05 -0.22744E-05 684 0.100E-02
11 F= -.14286237E+04 E0= -.14286398E+04 d E =-.169382E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862444509E+04 -0.78286E-03 -0.27200E-01 900 0.886E-01 0.118E-01
DAV: 2 -0.142862500344E+04 -0.55835E-03 -0.67442E-03 1028 0.122E-01 0.697E-02
DAV: 3 -0.142862497631E+04 0.27127E-04 -0.20982E-04 1060 0.263E-02 0.422E-02
DAV: 4 -0.142862497433E+04 0.19803E-05 -0.63576E-05 964 0.163E-02
12 F= -.14286250E+04 E0= -.14286411E+04 d E =-.131661E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862502070E+04 -0.44384E-04 -0.11867E-02 900 0.185E-01 0.274E-02
DAV: 2 -0.142862504454E+04 -0.23838E-04 -0.29149E-04 1028 0.254E-02 0.151E-02
DAV: 3 -0.142862504338E+04 0.11602E-05 -0.75045E-06 516 0.571E-03
13 F= -.14286250E+04 E0= -.14286412E+04 d E =-.138565E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862561693E+04 -0.57240E-03 -0.11563E-01 900 0.574E-01 0.761E-02
DAV: 2 -0.142862583842E+04 -0.22149E-03 -0.28087E-03 1052 0.795E-02 0.456E-02
DAV: 3 -0.142862582304E+04 0.15384E-04 -0.81924E-05 1052 0.172E-02 0.272E-02
DAV: 4 -0.142862582087E+04 0.21678E-05 -0.33480E-05 868 0.118E-02
14 F= -.14286258E+04 E0= -.14286421E+04 d E =-.777498E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862588929E+04 -0.66251E-04 -0.32077E-02 900 0.302E-01 0.414E-02
DAV: 2 -0.142862595107E+04 -0.61779E-04 -0.78206E-04 1052 0.420E-02 0.244E-02
DAV: 3 -0.142862594654E+04 0.45339E-05 -0.20202E-05 676 0.930E-03
15 F= -.14286259E+04 E0= -.14286422E+04 d E =-.903162E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862638416E+04 -0.43309E-03 -0.11574E-01 900 0.573E-01 0.743E-02
DAV: 2 -0.142862659444E+04 -0.21028E-03 -0.26049E-03 1028 0.755E-02 0.468E-02
DAV: 3 -0.142862658069E+04 0.13754E-04 -0.76125E-05 1052 0.162E-02 0.277E-02
DAV: 4 -0.142862657808E+04 0.26026E-05 -0.25345E-05 676 0.110E-02
16 F= -.14286266E+04 E0= -.14286429E+04 d E =-.631547E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862661891E+04 -0.38219E-04 -0.38883E-02 890 0.332E-01 0.435E-02
DAV: 2 -0.142862669128E+04 -0.72376E-04 -0.88646E-04 1028 0.441E-02 0.268E-02
DAV: 3 -0.142862668661E+04 0.46743E-05 -0.22635E-05 711 0.945E-03
17 F= -.14286267E+04 E0= -.14286431E+04 d E =-.740069E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862710059E+04 -0.40931E-03 -0.80130E-02 890 0.476E-01 0.608E-02
DAV: 2 -0.142862724199E+04 -0.14140E-03 -0.17362E-03 1028 0.619E-02 0.379E-02
DAV: 3 -0.142862723475E+04 0.72359E-05 -0.44426E-05 919 0.126E-02
18 F= -.14286272E+04 E0= -.14286436E+04 d E =-.548144E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862717629E+04 0.65694E-04 -0.28226E-01 890 0.893E-01 0.114E-01
DAV: 2 -0.142862767139E+04 -0.49509E-03 -0.60992E-03 1028 0.116E-01 0.709E-02
DAV: 3 -0.142862764636E+04 0.25029E-04 -0.16177E-04 1052 0.237E-02 0.419E-02
DAV: 4 -0.142862764359E+04 0.27629E-05 -0.67619E-05 972 0.173E-02
19 F= -.14286276E+04 E0= -.14286440E+04 d E =-.956988E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862804207E+04 -0.39571E-03 -0.86253E-02 890 0.492E-01 0.625E-02
DAV: 2 -0.142862818998E+04 -0.14791E-03 -0.18124E-03 1020 0.633E-02 0.389E-02
DAV: 3 -0.142862818257E+04 0.74064E-05 -0.46887E-05 980 0.130E-02
20 F= -.14286282E+04 E0= -.14286446E+04 d E =-.538977E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862766750E+04 0.52248E-03 -0.61797E-01 890 0.132E+00 0.165E-01
DAV: 2 -0.142862869181E+04 -0.10243E-02 -0.12718E-02 1020 0.168E-01 0.105E-01
DAV: 3 -0.142862863614E+04 0.55672E-04 -0.34193E-04 1076 0.341E-02 0.610E-02
DAV: 4 -0.142862863214E+04 0.39959E-05 -0.12771E-04 1012 0.236E-02 0.160E-02
DAV: 5 -0.142862863331E+04 -0.11712E-05 -0.24788E-05 692 0.101E-02
21 F= -.14286286E+04 E0= -.14286450E+04 d E =-.989716E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862891670E+04 -0.28456E-03 -0.93141E-02 890 0.511E-01 0.642E-02
DAV: 2 -0.142862907714E+04 -0.16045E-03 -0.19501E-03 1004 0.655E-02 0.405E-02
DAV: 3 -0.142862906856E+04 0.85809E-05 -0.46468E-05 948 0.135E-02
22 F= -.14286291E+04 E0= -.14286455E+04 d E =-.435253E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862838823E+04 0.68892E-03 -0.80606E-01 890 0.150E+00 0.190E-01
DAV: 2 -0.142862969780E+04 -0.13096E-02 -0.16455E-02 1004 0.191E-01 0.121E-01
DAV: 3 -0.142862962093E+04 0.76877E-04 -0.42626E-04 1052 0.398E-02 0.702E-02
DAV: 4 -0.142862961951E+04 0.14173E-05 -0.18217E-04 1012 0.268E-02 0.183E-02
DAV: 5 -0.142862962051E+04 -0.10060E-05 -0.32227E-05 788 0.118E-02
23 F= -.14286296E+04 E0= -.14286461E+04 d E =-.987204E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863010451E+04 -0.48500E-03 -0.40866E-02 890 0.343E-01 0.448E-02
DAV: 2 -0.142863017909E+04 -0.74583E-04 -0.93927E-04 1028 0.466E-02 0.300E-02
DAV: 3 -0.142863017318E+04 0.59159E-05 -0.27056E-05 804 0.109E-02
24 F= -.14286302E+04 E0= -.14286467E+04 d E =-.552663E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863032868E+04 -0.14959E-03 -0.13291E-01 890 0.618E-01 0.827E-02
DAV: 2 -0.142863055015E+04 -0.22146E-03 -0.29442E-03 1028 0.828E-02 0.557E-02
DAV: 3 -0.142863053011E+04 0.20035E-04 -0.98590E-05 1068 0.196E-02 0.329E-02
DAV: 4 -0.142863052686E+04 0.32544E-05 -0.42061E-05 948 0.138E-02
25 F= -.14286305E+04 E0= -.14286470E+04 d E =-.906342E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863090450E+04 -0.37439E-03 -0.35963E-02 890 0.320E-01 0.424E-02
DAV: 2 -0.142863096864E+04 -0.64137E-04 -0.80595E-04 1036 0.428E-02 0.277E-02
DAV: 3 -0.142863096358E+04 0.50627E-05 -0.21231E-05 716 0.995E-03
26 F= -.14286310E+04 E0= -.14286475E+04 d E =-.436721E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863091600E+04 0.52644E-04 -0.32130E-01 890 0.958E-01 0.125E-01
DAV: 2 -0.142863145864E+04 -0.54264E-03 -0.69850E-03 1044 0.126E-01 0.824E-02
DAV: 3 -0.142863141365E+04 0.44986E-04 -0.21168E-04 1060 0.285E-02 0.482E-02
DAV: 4 -0.142863141200E+04 0.16484E-05 -0.96590E-05 1012 0.195E-02
27 F= -.14286314E+04 E0= -.14286480E+04 d E =-.885145E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863140301E+04 0.10645E-04 -0.16545E-02 890 0.218E-01 0.262E-02
DAV: 2 -0.142863142841E+04 -0.25408E-04 -0.36273E-04 1020 0.287E-02 0.183E-02
DAV: 3 -0.142863142501E+04 0.34039E-05 -0.11085E-05 564 0.670E-03
28 F= -.14286314E+04 E0= -.14286480E+04 d E =-.898153E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863186846E+04 -0.44005E-03 -0.42054E-02 890 0.345E-01 0.437E-02
DAV: 2 -0.142863194365E+04 -0.75192E-04 -0.95508E-04 1020 0.465E-02 0.293E-02
DAV: 3 -0.142863193631E+04 0.73378E-05 -0.26891E-05 836 0.105E-02
29 F= -.14286319E+04 E0= -.14286485E+04 d E =-.511304E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863208090E+04 -0.13725E-03 -0.10951E-01 890 0.556E-01 0.748E-02
DAV: 2 -0.142863225999E+04 -0.17909E-03 -0.23620E-03 1028 0.732E-02 0.496E-02
DAV: 3 -0.142863224229E+04 0.17705E-04 -0.77200E-05 1060 0.173E-02 0.284E-02
DAV: 4 -0.142863224099E+04 0.12929E-05 -0.31979E-05 876 0.113E-02
30 F= -.14286322E+04 E0= -.14286489E+04 d E =-.815984E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863260782E+04 -0.36554E-03 -0.59614E-02 890 0.411E-01 0.533E-02
DAV: 2 -0.142863271555E+04 -0.10773E-03 -0.13183E-03 1028 0.543E-02 0.348E-02
DAV: 3 -0.142863270798E+04 0.75713E-05 -0.33583E-05 852 0.122E-02
31 F= -.14286327E+04 E0= -.14286493E+04 d E =-.466989E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863257917E+04 0.13638E-03 -0.29927E-01 890 0.920E-01 0.120E-01
DAV: 2 -0.142863308997E+04 -0.51080E-03 -0.64477E-03 1028 0.120E-01 0.787E-02
DAV: 3 -0.142863305210E+04 0.37870E-04 -0.18161E-04 1076 0.270E-02 0.464E-02
DAV: 4 -0.142863305168E+04 0.42112E-06 -0.89574E-05 1028 0.191E-02
32 F= -.14286331E+04 E0= -.14286496E+04 d E =-.810686E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863303483E+04 0.17272E-04 -0.17170E-02 890 0.221E-01 0.265E-02
DAV: 2 -0.142863306212E+04 -0.27290E-04 -0.37187E-04 1028 0.289E-02 0.184E-02
DAV: 3 -0.142863305894E+04 0.31748E-05 -0.94942E-06 548 0.632E-03
33 F= -.14286331E+04 E0= -.14286496E+04 d E =-.817951E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863340981E+04 -0.34769E-03 -0.79694E-02 890 0.475E-01 0.620E-02
DAV: 2 -0.142863356102E+04 -0.15121E-03 -0.19075E-03 1020 0.655E-02 0.400E-02
DAV: 3 -0.142863354836E+04 0.12662E-04 -0.54428E-05 1036 0.142E-02 0.236E-02
DAV: 4 -0.142863354625E+04 0.21038E-05 -0.22014E-05 636 0.100E-02
34 F= -.14286335E+04 E0= -.14286500E+04 d E =-.487307E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863358945E+04 -0.41094E-04 -0.24089E-02 890 0.261E-01 0.364E-02
DAV: 2 -0.142863363421E+04 -0.44759E-04 -0.56989E-04 1036 0.359E-02 0.226E-02
DAV: 3 -0.142863363052E+04 0.36872E-05 -0.14588E-05 636 0.813E-03
35 F= -.14286336E+04 E0= -.14286500E+04 d E =-.571576E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863393321E+04 -0.29900E-03 -0.62185E-02 890 0.421E-01 0.551E-02
DAV: 2 -0.142863404196E+04 -0.10875E-03 -0.13820E-03 1044 0.557E-02 0.363E-02
DAV: 3 -0.142863403384E+04 0.81256E-05 -0.38245E-05 876 0.123E-02
36 F= -.14286340E+04 E0= -.14286505E+04 d E =-.403318E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863405735E+04 -0.15385E-04 -0.95059E-02 890 0.520E-01 0.694E-02
DAV: 2 -0.142863421761E+04 -0.16026E-03 -0.20732E-03 1044 0.684E-02 0.456E-02
DAV: 3 -0.142863420572E+04 0.11892E-04 -0.62331E-05 1052 0.154E-02 0.270E-02
DAV: 4 -0.142863420518E+04 0.54215E-06 -0.29135E-05 756 0.112E-02
37 F= -.14286342E+04 E0= -.14286507E+04 d E =-.574659E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863442248E+04 -0.21676E-03 -0.33060E-02 890 0.305E-01 0.391E-02
DAV: 2 -0.142863448077E+04 -0.58284E-04 -0.72144E-04 1028 0.396E-02 0.251E-02
DAV: 3 -0.142863447665E+04 0.41135E-05 -0.15056E-05 644 0.846E-03
38 F= -.14286345E+04 E0= -.14286510E+04 d E =-.271475E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863434994E+04 0.13083E-03 -0.29505E-01 890 0.911E-01 0.115E-01
DAV: 2 -0.142863485137E+04 -0.50143E-03 -0.62762E-03 1028 0.117E-01 0.751E-02
DAV: 3 -0.142863481862E+04 0.32744E-04 -0.15980E-04 1052 0.244E-02 0.439E-02
DAV: 4 -0.142863481821E+04 0.41509E-06 -0.76667E-05 1012 0.184E-02
39 F= -.14286348E+04 E0= -.14286514E+04 d E =-.613030E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863510437E+04 -0.28574E-03 -0.80615E-02 890 0.476E-01 0.617E-02
DAV: 2 -0.142863524696E+04 -0.14259E-03 -0.17660E-03 1004 0.620E-02 0.397E-02
DAV: 3 -0.142863523863E+04 0.83327E-05 -0.42731E-05 956 0.133E-02
40 F= -.14286352E+04 E0= -.14286518E+04 d E =-.420417E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863458674E+04 0.66021E-03 -0.57171E-01 890 0.127E+00 0.161E-01
DAV: 2 -0.142863555402E+04 -0.96727E-03 -0.12166E-02 1004 0.163E-01 0.105E-01
DAV: 3 -0.142863549361E+04 0.60408E-04 -0.31016E-04 1060 0.344E-02 0.616E-02
DAV: 4 -0.142863549266E+04 0.94255E-06 -0.15269E-04 1020 0.264E-02 0.160E-02
DAV: 5 -0.142863549268E+04 -0.10470E-07 -0.33735E-05 836 0.122E-02
41 F= -.14286355E+04 E0= -.14286519E+04 d E =-.674465E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863546427E+04 0.28394E-04 -0.56132E-02 890 0.398E-01 0.489E-02
DAV: 2 -0.142863555792E+04 -0.93644E-04 -0.11966E-03 1004 0.511E-02 0.329E-02
DAV: 3 -0.142863555075E+04 0.71629E-05 -0.29567E-05 836 0.107E-02
42 F= -.14286356E+04 E0= -.14286520E+04 d E =-.732543E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863577505E+04 -0.21713E-03 -0.13629E-01 890 0.621E-01 0.755E-02
DAV: 2 -0.142863602931E+04 -0.25426E-03 -0.30939E-03 1004 0.819E-02 0.502E-02
DAV: 3 -0.142863601233E+04 0.16973E-04 -0.75867E-05 1060 0.167E-02 0.303E-02
DAV: 4 -0.142863600979E+04 0.25441E-05 -0.34304E-05 860 0.122E-02
43 F= -.14286360E+04 E0= -.14286524E+04 d E =-.459037E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863603726E+04 -0.24924E-04 -0.53167E-02 890 0.387E-01 0.503E-02
DAV: 2 -0.142863613322E+04 -0.95958E-04 -0.11795E-03 1012 0.507E-02 0.322E-02
DAV: 3 -0.142863612728E+04 0.59344E-05 -0.28826E-05 844 0.108E-02
44 F= -.14286361E+04 E0= -.14286525E+04 d E =-.576529E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863639632E+04 -0.26311E-03 -0.79656E-02 890 0.474E-01 0.628E-02
DAV: 2 -0.142863653412E+04 -0.13780E-03 -0.17758E-03 1020 0.629E-02 0.405E-02
DAV: 3 -0.142863652420E+04 0.99220E-05 -0.54559E-05 1012 0.140E-02
45 F= -.14286365E+04 E0= -.14286529E+04 d E =-.396917E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863654714E+04 -0.13022E-04 -0.39713E-02 890 0.335E-01 0.471E-02
DAV: 2 -0.142863661005E+04 -0.62906E-04 -0.85016E-04 1036 0.437E-02 0.302E-02
DAV: 3 -0.142863660513E+04 0.49190E-05 -0.28080E-05 780 0.103E-02
46 F= -.14286366E+04 E0= -.14286530E+04 d E =-.477848E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863680864E+04 -0.19859E-03 -0.42654E-02 890 0.345E-01 0.457E-02
DAV: 2 -0.142863687913E+04 -0.70492E-04 -0.89013E-04 1004 0.442E-02 0.289E-02
DAV: 3 -0.142863687533E+04 0.37933E-05 -0.22564E-05 740 0.956E-03
47 F= -.14286369E+04 E0= -.14286533E+04 d E =-.270206E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863661898E+04 0.26015E-03 -0.38578E-01 890 0.104E+00 0.133E-01
DAV: 2 -0.142863727369E+04 -0.65471E-03 -0.81982E-03 1004 0.134E-01 0.847E-02
DAV: 3 -0.142863723681E+04 0.36875E-04 -0.21389E-04 1052 0.282E-02 0.500E-02
DAV: 4 -0.142863723838E+04 -0.15660E-05 -0.98031E-05 1004 0.203E-02
48 F= -.14286372E+04 E0= -.14286536E+04 d E =-.633248E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863749950E+04 -0.26269E-03 -0.80239E-02 890 0.474E-01 0.624E-02
DAV: 2 -0.142863764092E+04 -0.14142E-03 -0.17589E-03 1020 0.623E-02 0.394E-02
DAV: 3 -0.142863763340E+04 0.75252E-05 -0.45908E-05 964 0.138E-02
49 F= -.14286376E+04 E0= -.14286540E+04 d E =-.395021E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863680147E+04 0.83945E-03 -0.64685E-01 890 0.135E+00 0.173E-01
DAV: 2 -0.142863789643E+04 -0.10950E-02 -0.13839E-02 1004 0.174E-01 0.111E-01
DAV: 3 -0.142863783088E+04 0.65547E-04 -0.37278E-04 1084 0.371E-02 0.646E-02
DAV: 4 -0.142863783182E+04 -0.94212E-06 -0.15819E-04 1012 0.257E-02 0.175E-02
DAV: 5 -0.142863783284E+04 -0.10127E-05 -0.30571E-05 820 0.120E-02
50 F= -.14286378E+04 E0= -.14286542E+04 d E =-.594459E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863778088E+04 0.50942E-04 -0.90917E-02 890 0.505E-01 0.628E-02
DAV: 2 -0.142863793142E+04 -0.15054E-03 -0.19578E-03 1020 0.657E-02 0.414E-02
DAV: 3 -0.142863791992E+04 0.11503E-04 -0.52072E-05 1036 0.139E-02 0.243E-02
DAV: 4 -0.142863791893E+04 0.99021E-06 -0.22113E-05 676 0.973E-03
51 F= -.14286379E+04 E0= -.14286543E+04 d E =-.680551E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863816204E+04 -0.24212E-03 -0.12863E-01 890 0.601E-01 0.738E-02
DAV: 2 -0.142863839049E+04 -0.22846E-03 -0.28088E-03 996 0.783E-02 0.481E-02
DAV: 3 -0.142863837531E+04 0.15181E-04 -0.66634E-05 1060 0.156E-02 0.281E-02
DAV: 4 -0.142863837475E+04 0.56056E-06 -0.29982E-05 796 0.115E-02
52 F= -.14286384E+04 E0= -.14286547E+04 d E =-.455823E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863837743E+04 -0.21168E-05 -0.14693E-01 890 0.642E-01 0.822E-02
DAV: 2 -0.142863863958E+04 -0.26216E-03 -0.32135E-03 1004 0.840E-02 0.521E-02
DAV: 3 -0.142863862424E+04 0.15340E-04 -0.76694E-05 1060 0.173E-02 0.307E-02
DAV: 4 -0.142863862535E+04 -0.11097E-05 -0.37427E-05 868 0.128E-02
53 F= -.14286386E+04 E0= -.14286550E+04 d E =-.706426E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863892185E+04 -0.29760E-03 -0.77599E-02 890 0.470E-01 0.614E-02
DAV: 2 -0.142863906598E+04 -0.14413E-03 -0.18003E-03 1020 0.638E-02 0.408E-02
DAV: 3 -0.142863905587E+04 0.10109E-04 -0.50644E-05 988 0.140E-02 0.249E-02
DAV: 4 -0.142863905461E+04 0.12602E-05 -0.25433E-05 724 0.104E-02
54 F= -.14286391E+04 E0= -.14286554E+04 d E =-.429259E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863908172E+04 -0.25845E-04 -0.41178E-02 890 0.342E-01 0.450E-02
DAV: 2 -0.142863915881E+04 -0.77095E-04 -0.95840E-04 1020 0.467E-02 0.298E-02
DAV: 3 -0.142863915333E+04 0.54794E-05 -0.25408E-05 796 0.103E-02
55 F= -.14286392E+04 E0= -.14286555E+04 d E =-.527980E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863937199E+04 -0.21318E-03 -0.49296E-02 890 0.372E-01 0.497E-02
DAV: 2 -0.142863945147E+04 -0.79477E-04 -0.10315E-03 1004 0.482E-02 0.313E-02
DAV: 3 -0.142863944666E+04 0.48016E-05 -0.29618E-05 836 0.105E-02
56 F= -.14286394E+04 E0= -.14286557E+04 d E =-.293330E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863930922E+04 0.14224E-03 -0.26243E-01 890 0.859E-01 0.111E-01
DAV: 2 -0.142863974446E+04 -0.43524E-03 -0.55495E-03 1004 0.112E-01 0.705E-02
DAV: 3 -0.142863971737E+04 0.27097E-04 -0.15950E-04 1052 0.238E-02 0.409E-02
DAV: 4 -0.142863971795E+04 -0.57896E-06 -0.68675E-05 1012 0.168E-02
57 F= -.14286397E+04 E0= -.14286560E+04 d E =-.564613E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863993325E+04 -0.21588E-03 -0.10047E-01 890 0.531E-01 0.683E-02
DAV: 2 -0.142864010854E+04 -0.17529E-03 -0.21786E-03 1012 0.695E-02 0.433E-02
DAV: 3 -0.142864009765E+04 0.10885E-04 -0.53423E-05 996 0.149E-02 0.255E-02
DAV: 4 -0.142864009767E+04 -0.16495E-07 -0.26107E-05 700 0.106E-02
58 F= -.14286401E+04 E0= -.14286563E+04 d E =-.379723E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864015936E+04 -0.61705E-04 -0.16124E-02 890 0.212E-01 0.282E-02
DAV: 2 -0.142864018771E+04 -0.28353E-04 -0.35179E-04 1020 0.281E-02 0.175E-02
DAV: 3 -0.142864018602E+04 0.16909E-05 -0.76849E-06 524 0.618E-03
59 F= -.14286402E+04 E0= -.14286564E+04 d E =-.468074E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864015277E+04 0.34940E-04 -0.63676E-02 890 0.423E-01 0.543E-02
DAV: 2 -0.142864025905E+04 -0.10628E-03 -0.13428E-03 1028 0.545E-02 0.347E-02
DAV: 3 -0.142864025218E+04 0.68658E-05 -0.32839E-05 868 0.114E-02
60 F= -.14286403E+04 E0= -.14286565E+04 d E =-.534236E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864047916E+04 -0.22011E-03 -0.13966E-01 890 0.626E-01 0.807E-02
DAV: 2 -0.142864070954E+04 -0.23038E-03 -0.29292E-03 1020 0.808E-02 0.528E-02
DAV: 3 -0.142864069299E+04 0.16549E-04 -0.83118E-05 1052 0.181E-02 0.307E-02
DAV: 4 -0.142864069273E+04 0.26345E-06 -0.38900E-05 868 0.126E-02
61 F= -.14286407E+04 E0= -.14286570E+04 d E =-.440546E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864071911E+04 -0.26115E-04 -0.49768E-02 890 0.374E-01 0.483E-02
DAV: 2 -0.142864080633E+04 -0.87220E-04 -0.10793E-03 1020 0.489E-02 0.314E-02
DAV: 3 -0.142864080002E+04 0.63074E-05 -0.25989E-05 756 0.110E-02
62 F= -.14286408E+04 E0= -.14286571E+04 d E =-.547838E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864108360E+04 -0.27727E-03 -0.90974E-02 890 0.508E-01 0.663E-02
DAV: 2 -0.142864124120E+04 -0.15760E-03 -0.20076E-03 1012 0.671E-02 0.434E-02
DAV: 3 -0.142864122954E+04 0.11659E-04 -0.60542E-05 1044 0.148E-02 0.253E-02
DAV: 4 -0.142864122843E+04 0.11036E-05 -0.24123E-05 684 0.107E-02
63 F= -.14286412E+04 E0= -.14286575E+04 d E =-.428413E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864126048E+04 -0.30940E-04 -0.33807E-02 890 0.309E-01 0.402E-02
DAV: 2 -0.142864132209E+04 -0.61608E-04 -0.76448E-04 1020 0.414E-02 0.260E-02
DAV: 3 -0.142864131754E+04 0.45487E-05 -0.18869E-05 684 0.904E-03
64 F= -.14286413E+04 E0= -.14286576E+04 d E =-.517516E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864157177E+04 -0.24969E-03 -0.75205E-02 890 0.460E-01 0.608E-02
DAV: 2 -0.142864169311E+04 -0.12134E-03 -0.15810E-03 1020 0.600E-02 0.391E-02
DAV: 3 -0.142864168502E+04 0.80957E-05 -0.45070E-05 956 0.136E-02
65 F= -.14286417E+04 E0= -.14286580E+04 d E =-.367480E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864160685E+04 0.86267E-04 -0.20115E-01 890 0.752E-01 0.101E-01
DAV: 2 -0.142864192811E+04 -0.32126E-03 -0.42164E-03 1020 0.978E-02 0.649E-02
DAV: 3 -0.142864190628E+04 0.21832E-04 -0.12354E-04 1052 0.219E-02 0.381E-02
DAV: 4 -0.142864190650E+04 -0.22710E-06 -0.58888E-05 980 0.160E-02
66 F= -.14286419E+04 E0= -.14286581E+04 d E =-.588967E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864207246E+04 -0.16618E-03 -0.78874E-02 890 0.470E-01 0.622E-02
DAV: 2 -0.142864220856E+04 -0.13610E-03 -0.17193E-03 1012 0.621E-02 0.399E-02
DAV: 3 -0.142864220045E+04 0.81084E-05 -0.45240E-05 932 0.139E-02
67 F= -.14286422E+04 E0= -.14286584E+04 d E =-.293945E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864177808E+04 0.43047E-03 -0.36734E-01 890 0.101E+00 0.133E-01
DAV: 2 -0.142864238423E+04 -0.60614E-03 -0.77771E-03 1012 0.131E-01 0.861E-02
DAV: 3 -0.142864234541E+04 0.38813E-04 -0.21223E-04 1060 0.284E-02 0.498E-02
DAV: 4 -0.142864234570E+04 -0.28979E-06 -0.98854E-05 1004 0.202E-02
68 F= -.14286423E+04 E0= -.14286586E+04 d E =-.439201E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864227717E+04 0.68245E-04 -0.61264E-02 890 0.415E-01 0.504E-02
DAV: 2 -0.142864237802E+04 -0.10085E-03 -0.13092E-03 996 0.536E-02 0.340E-02
DAV: 3 -0.142864236960E+04 0.84197E-05 -0.32576E-05 852 0.111E-02
69 F= -.14286424E+04 E0= -.14286586E+04 d E =-.463095E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864260816E+04 -0.23014E-03 -0.72122E-02 890 0.451E-01 0.558E-02
DAV: 2 -0.142864274307E+04 -0.13491E-03 -0.16618E-03 1012 0.607E-02 0.362E-02
DAV: 3 -0.142864273292E+04 0.10147E-04 -0.40243E-05 924 0.125E-02 0.214E-02
DAV: 4 -0.142864273081E+04 0.21153E-05 -0.17993E-05 564 0.903E-03
70 F= -.14286427E+04 E0= -.14286590E+04 d E =-.361207E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864275798E+04 -0.25055E-04 -0.80181E-02 890 0.475E-01 0.625E-02
DAV: 2 -0.142864290101E+04 -0.14304E-03 -0.17886E-03 1012 0.630E-02 0.395E-02
DAV: 3 -0.142864289101E+04 0.99983E-05 -0.46636E-05 956 0.135E-02
71 F= -.14286429E+04 E0= -.14286592E+04 d E =-.521414E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864315410E+04 -0.25309E-03 -0.85864E-02 890 0.492E-01 0.652E-02
DAV: 2 -0.142864329301E+04 -0.13891E-03 -0.17799E-03 1004 0.629E-02 0.432E-02
DAV: 3 -0.142864328271E+04 0.10305E-04 -0.49348E-05 940 0.144E-02 0.250E-02
DAV: 4 -0.142864328266E+04 0.47599E-07 -0.25908E-05 676 0.104E-02
72 F= -.14286433E+04 E0= -.14286596E+04 d E =-.391649E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864328431E+04 -0.16028E-05 -0.12217E-01 890 0.587E-01 0.749E-02
DAV: 2 -0.142864349696E+04 -0.21265E-03 -0.26339E-03 996 0.764E-02 0.501E-02
DAV: 3 -0.142864348169E+04 0.15275E-04 -0.68302E-05 1036 0.172E-02 0.300E-02
DAV: 4 -0.142864348068E+04 0.10049E-05 -0.37883E-05 852 0.124E-02
73 F= -.14286435E+04 E0= -.14286598E+04 d E =-.589670E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864371001E+04 -0.22832E-03 -0.72694E-02 890 0.452E-01 0.593E-02
DAV: 2 -0.142864383342E+04 -0.12341E-03 -0.15513E-03 1020 0.590E-02 0.375E-02
DAV: 3 -0.142864382577E+04 0.76461E-05 -0.38437E-05 924 0.125E-02
74 F= -.14286438E+04 E0= -.14286602E+04 d E =-.345087E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864319785E+04 0.63557E-03 -0.61676E-01 890 0.132E+00 0.171E-01
DAV: 2 -0.142864420502E+04 -0.10072E-02 -0.12855E-02 1012 0.170E-01 0.109E-01
DAV: 3 -0.142864414057E+04 0.64450E-04 -0.35055E-04 1060 0.357E-02 0.626E-02
DAV: 4 -0.142864414194E+04 -0.13751E-05 -0.16173E-04 1020 0.256E-02 0.172E-02
DAV: 5 -0.142864414166E+04 0.28181E-06 -0.28240E-05 732 0.116E-02
75 F= -.14286441E+04 E0= -.14286604E+04 d E =-.660978E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864411716E+04 0.24788E-04 -0.31788E-02 890 0.299E-01 0.377E-02
DAV: 2 -0.142864416592E+04 -0.48760E-04 -0.65990E-04 1012 0.387E-02 0.247E-02
DAV: 3 -0.142864416143E+04 0.44832E-05 -0.17105E-05 636 0.826E-03
76 F= -.14286442E+04 E0= -.14286604E+04 d E =-.680749E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864431768E+04 -0.15177E-03 -0.13511E-01 890 0.615E-01 0.764E-02
DAV: 2 -0.142864455080E+04 -0.23311E-03 -0.29182E-03 988 0.803E-02 0.504E-02
DAV: 3 -0.142864453389E+04 0.16908E-04 -0.69848E-05 1060 0.166E-02 0.297E-02
DAV: 4 -0.142864453249E+04 0.13982E-05 -0.37124E-05 892 0.122E-02
77 F= -.14286445E+04 E0= -.14286608E+04 d E =-.371059E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864452234E+04 0.11548E-04 -0.11386E-01 890 0.564E-01 0.735E-02
DAV: 2 -0.142864471528E+04 -0.19294E-03 -0.24254E-03 1004 0.734E-02 0.474E-02
DAV: 3 -0.142864470261E+04 0.12663E-04 -0.59346E-05 1012 0.157E-02 0.279E-02
DAV: 4 -0.142864470299E+04 -0.37315E-06 -0.33697E-05 860 0.116E-02
78 F= -.14286447E+04 E0= -.14286609E+04 d E =-.541556E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864498939E+04 -0.28678E-03 -0.13766E-01 890 0.622E-01 0.801E-02
DAV: 2 -0.142864522234E+04 -0.23295E-03 -0.29358E-03 1004 0.807E-02 0.524E-02
DAV: 3 -0.142864520568E+04 0.16667E-04 -0.76417E-05 1076 0.180E-02 0.311E-02
DAV: 4 -0.142864520532E+04 0.35132E-06 -0.40752E-05 892 0.127E-02
79 F= -.14286452E+04 E0= -.14286614E+04 d E =-.502336E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864529558E+04 -0.89901E-04 -0.30723E-02 890 0.294E-01 0.391E-02
DAV: 2 -0.142864534822E+04 -0.52642E-04 -0.66204E-04 1020 0.385E-02 0.252E-02
DAV: 3 -0.142864534450E+04 0.37220E-05 -0.14970E-05 628 0.874E-03
80 F= -.14286453E+04 E0= -.14286616E+04 d E =-.641509E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864525438E+04 0.93841E-04 -0.12133E-01 890 0.585E-01 0.761E-02
DAV: 2 -0.142864545057E+04 -0.19619E-03 -0.25193E-03 1020 0.748E-02 0.496E-02
DAV: 3 -0.142864543648E+04 0.14085E-04 -0.67501E-05 1068 0.165E-02 0.290E-02
DAV: 4 -0.142864543638E+04 0.98240E-07 -0.34551E-05 812 0.118E-02
81 F= -.14286454E+04 E0= -.14286617E+04 d E =-.733395E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864558381E+04 -0.14733E-03 -0.37717E-02 890 0.325E-01 0.423E-02
DAV: 2 -0.142864564623E+04 -0.62416E-04 -0.78668E-04 1012 0.416E-02 0.269E-02
DAV: 3 -0.142864564214E+04 0.40879E-05 -0.16425E-05 652 0.897E-03
82 F= -.14286456E+04 E0= -.14286619E+04 d E =-.205754E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864558505E+04 0.61172E-04 -0.33600E-01 890 0.970E-01 0.124E-01
DAV: 2 -0.142864611811E+04 -0.53306E-03 -0.68175E-03 1012 0.122E-01 0.799E-02
DAV: 3 -0.142864608275E+04 0.35369E-04 -0.16634E-04 1068 0.255E-02 0.461E-02
DAV: 4 -0.142864608399E+04 -0.12427E-05 -0.86763E-05 1012 0.182E-02
83 F= -.14286461E+04 E0= -.14286623E+04 d E =-.647605E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864609772E+04 -0.14974E-04 -0.53584E-02 890 0.387E-01 0.512E-02
DAV: 2 -0.142864618757E+04 -0.89846E-04 -0.11239E-03 1012 0.498E-02 0.322E-02
DAV: 3 -0.142864618209E+04 0.54786E-05 -0.24482E-05 788 0.108E-02
84 F= -.14286462E+04 E0= -.14286624E+04 d E =-.745704E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864594070E+04 0.24687E-03 -0.21074E-01 890 0.768E-01 0.995E-02
DAV: 2 -0.142864627113E+04 -0.33043E-03 -0.42530E-03 1012 0.967E-02 0.638E-02
DAV: 3 -0.142864624964E+04 0.21482E-04 -0.10617E-04 1068 0.203E-02 0.366E-02
DAV: 4 -0.142864625094E+04 -0.12975E-05 -0.54192E-05 964 0.144E-02
85 F= -.14286463E+04 E0= -.14286624E+04 d E =-.814559E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864661815E+04 -0.36851E-03 -0.10413E-01 890 0.540E-01 0.715E-02
DAV: 2 -0.142864679279E+04 -0.17464E-03 -0.22442E-03 1020 0.712E-02 0.457E-02
DAV: 3 -0.142864678072E+04 0.12065E-04 -0.61951E-05 1060 0.156E-02 0.268E-02
DAV: 4 -0.142864678047E+04 0.24799E-06 -0.28125E-05 764 0.109E-02
86 F= -.14286468E+04 E0= -.14286629E+04 d E =-.529533E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864692507E+04 -0.14434E-03 -0.36096E-02 890 0.318E-01 0.429E-02
DAV: 2 -0.142864698552E+04 -0.60458E-04 -0.77956E-04 1020 0.421E-02 0.271E-02
DAV: 3 -0.142864698114E+04 0.43821E-05 -0.19073E-05 676 0.931E-03
87 F= -.14286470E+04 E0= -.14286631E+04 d E =-.730200E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864692360E+04 0.61922E-04 -0.14287E-01 890 0.633E-01 0.845E-02
DAV: 2 -0.142864715119E+04 -0.22759E-03 -0.29904E-03 1020 0.822E-02 0.540E-02
DAV: 3 -0.142864713488E+04 0.16308E-04 -0.86838E-05 1076 0.178E-02 0.309E-02
DAV: 4 -0.142864713445E+04 0.43121E-06 -0.37748E-05 868 0.125E-02
88 F= -.14286471E+04 E0= -.14286632E+04 d E =-.883509E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864745429E+04 -0.31941E-03 -0.10328E-01 890 0.538E-01 0.712E-02
DAV: 2 -0.142864762808E+04 -0.17380E-03 -0.22150E-03 1004 0.709E-02 0.459E-02
DAV: 3 -0.142864761591E+04 0.12176E-04 -0.64781E-05 1052 0.161E-02 0.273E-02
DAV: 4 -0.142864761485E+04 0.10592E-05 -0.29298E-05 780 0.112E-02
89 F= -.14286476E+04 E0= -.14286637E+04 d E =-.480398E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864752736E+04 0.88546E-04 -0.23929E-01 890 0.820E-01 0.108E-01
DAV: 2 -0.142864792526E+04 -0.39790E-03 -0.51101E-03 1004 0.108E-01 0.698E-02
DAV: 3 -0.142864789707E+04 0.28191E-04 -0.15115E-04 1068 0.243E-02 0.413E-02
DAV: 4 -0.142864789468E+04 0.23825E-05 -0.69186E-05 1012 0.169E-02
90 F= -.14286479E+04 E0= -.14286639E+04 d E =-.760233E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864823960E+04 -0.34253E-03 -0.12249E-01 890 0.587E-01 0.776E-02
DAV: 2 -0.142864844079E+04 -0.20119E-03 -0.25593E-03 1012 0.757E-02 0.493E-02
DAV: 3 -0.142864842661E+04 0.14186E-04 -0.68223E-05 1052 0.169E-02 0.288E-02
DAV: 4 -0.142864842596E+04 0.64239E-06 -0.33631E-05 820 0.117E-02
91 F= -.14286484E+04 E0= -.14286644E+04 d E =-.531279E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864855604E+04 -0.12943E-03 -0.37283E-02 890 0.323E-01 0.431E-02
DAV: 2 -0.142864861824E+04 -0.62204E-04 -0.78344E-04 1012 0.419E-02 0.272E-02
DAV: 3 -0.142864861389E+04 0.43559E-05 -0.18398E-05 684 0.934E-03
92 F= -.14286486E+04 E0= -.14286646E+04 d E =-.719201E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864855373E+04 0.64515E-04 -0.14745E-01 890 0.644E-01 0.847E-02
DAV: 2 -0.142864878587E+04 -0.23214E-03 -0.29985E-03 1012 0.817E-02 0.544E-02
DAV: 3 -0.142864876892E+04 0.16950E-04 -0.82934E-05 1060 0.178E-02 0.310E-02
DAV: 4 -0.142864876807E+04 0.84701E-06 -0.38272E-05 876 0.124E-02
93 F= -.14286488E+04 E0= -.14286648E+04 d E =-.873386E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864903128E+04 -0.26236E-03 -0.16486E-01 890 0.681E-01 0.895E-02
DAV: 2 -0.142864930726E+04 -0.27598E-03 -0.35015E-03 1020 0.884E-02 0.569E-02
DAV: 3 -0.142864928730E+04 0.19962E-04 -0.92503E-05 1060 0.198E-02 0.329E-02
DAV: 4 -0.142864928679E+04 0.50890E-06 -0.44643E-05 940 0.133E-02
94 F= -.14286493E+04 E0= -.14286653E+04 d E =-.518717E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864934961E+04 -0.62310E-04 -0.19188E-02 890 0.232E-01 0.323E-02
DAV: 2 -0.142864938268E+04 -0.33073E-04 -0.41169E-04 1028 0.305E-02 0.200E-02
DAV: 3 -0.142864938060E+04 0.20808E-05 -0.96114E-06 548 0.711E-03
95 F= -.14286494E+04 E0= -.14286654E+04 d E =-.612529E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864933281E+04 0.49866E-04 -0.75674E-02 890 0.462E-01 0.616E-02
DAV: 2 -0.142864945446E+04 -0.12165E-03 -0.15682E-03 1020 0.592E-02 0.391E-02
DAV: 3 -0.142864944568E+04 0.87861E-05 -0.41521E-05 932 0.131E-02
96 F= -.14286494E+04 E0= -.14286655E+04 d E =-.677606E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864960451E+04 -0.15005E-03 -0.20617E-01 890 0.760E-01 0.100E-01
DAV: 2 -0.142864993733E+04 -0.33282E-03 -0.42661E-03 1012 0.974E-02 0.650E-02
DAV: 3 -0.142864991448E+04 0.22845E-04 -0.11596E-04 1060 0.215E-02 0.375E-02
DAV: 4 -0.142864991456E+04 -0.78675E-07 -0.53607E-05 1004 0.151E-02
97 F= -.14286499E+04 E0= -.14286659E+04 d E =-.468883E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864992903E+04 -0.14548E-04 -0.36224E-02 890 0.318E-01 0.432E-02
DAV: 2 -0.142864999099E+04 -0.61961E-04 -0.77584E-04 1012 0.418E-02 0.275E-02
DAV: 3 -0.142864998713E+04 0.38584E-05 -0.18800E-05 684 0.953E-03
98 F= -.14286500E+04 E0= -.14286660E+04 d E =-.541455E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142865030998E+04 -0.31899E-03 -0.12331E-01 890 0.588E-01 0.787E-02
DAV: 2 -0.142865050786E+04 -0.19789E-03 -0.26125E-03 1020 0.773E-02 0.497E-02
DAV: 3 -0.142865049284E+04 0.15021E-04 -0.81320E-05 1060 0.169E-02 0.286E-02
DAV: 4 -0.142865049233E+04 0.50771E-06 -0.35048E-05 844 0.122E-02
99 F= -.14286505E+04 E0= -.14286665E+04 d E =-.505202E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142865054010E+04 -0.47260E-04 -0.44719E-02 890 0.354E-01 0.475E-02
DAV: 2 -0.142865061586E+04 -0.75764E-04 -0.97196E-04 1028 0.470E-02 0.296E-02
DAV: 3 -0.142865061014E+04 0.57219E-05 -0.25414E-05 796 0.102E-02
100 F= -.14286506E+04 E0= -.14286666E+04 d E =-.623011E-03