Stage_1/0.005_-e1 OSZICAR.out output for 742: XXX MT amorphous(poly(oxydiphenylene_pyromellitide)) from job 738
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.393047287325E+04 0.39305E+04 -0.29033E+05 896 0.111E+03
DAV: 2 -0.105967831660E+04 -0.49902E+04 -0.48056E+04 1136 0.298E+02
DAV: 3 -0.152792440045E+04 -0.46825E+03 -0.46315E+03 1032 0.966E+01
DAV: 4 -0.153984149468E+04 -0.11917E+02 -0.11861E+02 1088 0.165E+01
DAV: 5 -0.154024430186E+04 -0.40281E+00 -0.40223E+00 1120 0.283E+00 0.630E+01
DAV: 6 -0.144849099129E+04 0.91753E+02 -0.17435E+02 1008 0.197E+01 0.343E+01
DAV: 7 -0.143022077819E+04 0.18270E+02 -0.49427E+01 1064 0.115E+01 0.160E+01
DAV: 8 -0.142844504500E+04 0.17757E+01 -0.10501E+01 1048 0.497E+00 0.587E+00
DAV: 9 -0.142839382500E+04 0.51220E-01 -0.13452E+00 1056 0.238E+00 0.199E+00
DAV: 10 -0.142839019282E+04 0.36322E-02 -0.34649E-01 992 0.114E+00 0.741E-01
DAV: 11 -0.142839671445E+04 -0.65216E-02 -0.87401E-02 1016 0.512E-01 0.407E-01
DAV: 12 -0.142839782622E+04 -0.11118E-02 -0.12636E-02 1000 0.250E-01 0.233E-01
DAV: 13 -0.142839701810E+04 0.80813E-03 -0.62608E-03 976 0.214E-01 0.111E-01
DAV: 14 -0.142839537802E+04 0.16401E-02 -0.33258E-03 1072 0.155E-01 0.680E-02
DAV: 15 -0.142839482695E+04 0.55107E-03 -0.14163E-03 1056 0.874E-02 0.420E-02
DAV: 16 -0.142839463973E+04 0.18722E-03 -0.24554E-04 1064 0.396E-02 0.255E-02
DAV: 17 -0.142839455283E+04 0.86896E-04 -0.37835E-05 1016 0.288E-02 0.130E-02
DAV: 18 -0.142839451066E+04 0.42175E-04 -0.31966E-05 968 0.282E-02 0.790E-03
DAV: 19 -0.142839449220E+04 0.18464E-04 -0.48568E-05 1104 0.242E-02 0.622E-03
DAV: 20 -0.142839448540E+04 0.67918E-05 -0.27788E-05 880 0.149E-02
1 F= -.14283945E+04 E0= -.14284105E+04 d E =-.142839E+04
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142820846173E+04 0.18603E+00 -0.22291E+01 920 0.786E+00 0.141E+00
DAV: 2 -0.142826669397E+04 -0.58232E-01 -0.85112E-01 1080 0.132E+00 0.849E-01
DAV: 3 -0.142825642994E+04 0.10264E-01 -0.24034E-02 1040 0.300E-01 0.532E-01
DAV: 4 -0.142825363765E+04 0.27923E-02 -0.16203E-02 1024 0.234E-01 0.193E-01
DAV: 5 -0.142825360753E+04 0.30123E-04 -0.29719E-03 1056 0.107E-01 0.939E-02
DAV: 6 -0.142825358559E+04 0.21938E-04 -0.66176E-04 1032 0.489E-02 0.422E-02
DAV: 7 -0.142825355506E+04 0.30527E-04 -0.11196E-04 1024 0.216E-02 0.228E-02
DAV: 8 -0.142825354691E+04 0.81543E-05 -0.35059E-05 856 0.111E-02
2 F= -.14282535E+04 E0= -.14282698E+04 d E =0.140938E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142838516832E+04 -0.13161E+00 -0.12955E+01 912 0.599E+00 0.107E+00
DAV: 2 -0.142841759342E+04 -0.32425E-01 -0.47182E-01 1080 0.991E-01 0.635E-01
DAV: 3 -0.142841176082E+04 0.58326E-02 -0.14052E-02 1040 0.229E-01 0.383E-01
DAV: 4 -0.142841032252E+04 0.14383E-02 -0.83515E-03 1024 0.170E-01 0.138E-01
DAV: 5 -0.142841030771E+04 0.14813E-04 -0.15872E-03 1064 0.784E-02 0.677E-02
DAV: 6 -0.142841030234E+04 0.53741E-05 -0.33430E-04 1024 0.347E-02 0.307E-02
DAV: 7 -0.142841028764E+04 0.14699E-04 -0.59249E-05 1016 0.154E-02 0.163E-02
DAV: 8 -0.142841028537E+04 0.22641E-05 -0.17426E-05 672 0.828E-03
3 F= -.14284103E+04 E0= -.14284263E+04 d E =-.158000E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842223777E+04 -0.11950E-01 -0.50052E+00 896 0.383E+00 0.642E-01
DAV: 2 -0.142843057795E+04 -0.83402E-02 -0.13404E-01 1040 0.576E-01 0.446E-01
DAV: 3 -0.142842855074E+04 0.20272E-02 -0.59884E-03 1040 0.167E-01 0.279E-01
DAV: 4 -0.142842825031E+04 0.30042E-03 -0.50677E-03 1016 0.121E-01 0.102E-01
DAV: 5 -0.142842820215E+04 0.48162E-04 -0.52238E-04 1136 0.516E-02 0.482E-02
DAV: 6 -0.142842819323E+04 0.89204E-05 -0.17731E-04 1040 0.257E-02 0.237E-02
DAV: 7 -0.142842818625E+04 0.69836E-05 -0.31430E-05 824 0.133E-02
4 F= -.14284282E+04 E0= -.14284447E+04 d E =-.179009E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843000606E+04 -0.18128E-02 -0.31338E-01 912 0.960E-01 0.159E-01
DAV: 2 -0.142843055100E+04 -0.54494E-03 -0.83312E-03 1040 0.144E-01 0.111E-01
DAV: 3 -0.142843042864E+04 0.12236E-03 -0.36377E-04 1040 0.413E-02 0.699E-02
DAV: 4 -0.142843041502E+04 0.13617E-04 -0.32276E-04 1008 0.305E-02 0.252E-02
DAV: 5 -0.142843041337E+04 0.16558E-05 -0.30737E-05 752 0.129E-02
5 F= -.14284304E+04 E0= -.14284469E+04 d E =-.201280E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142840510499E+04 0.25310E-01 -0.58499E+00 896 0.411E+00 0.648E-01
DAV: 2 -0.142841557994E+04 -0.10475E-01 -0.16732E-01 1064 0.607E-01 0.386E-01
DAV: 3 -0.142841368841E+04 0.18915E-02 -0.58058E-03 1056 0.153E-01 0.235E-01
DAV: 4 -0.142841339981E+04 0.28860E-03 -0.33103E-03 1032 0.106E-01 0.902E-02
DAV: 5 -0.142841341343E+04 -0.13615E-04 -0.58365E-04 1072 0.500E-02 0.380E-02
DAV: 6 -0.142841340235E+04 0.11082E-04 -0.82895E-05 1016 0.185E-02 0.178E-02
DAV: 7 -0.142841339315E+04 0.91961E-05 -0.17512E-05 704 0.115E-02
6 F= -.14284134E+04 E0= -.14284290E+04 d E =0.170202E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843271365E+04 -0.19311E-01 -0.25711E+00 896 0.273E+00 0.426E-01
DAV: 2 -0.142843733160E+04 -0.46180E-02 -0.72121E-02 1072 0.400E-01 0.254E-01
DAV: 3 -0.142843653585E+04 0.79575E-03 -0.25041E-03 1048 0.995E-02 0.153E-01
DAV: 4 -0.142843643166E+04 0.10419E-03 -0.14207E-03 1048 0.681E-02 0.578E-02
DAV: 5 -0.142843643891E+04 -0.72525E-05 -0.22361E-04 1040 0.302E-02 0.242E-02
DAV: 6 -0.142843643799E+04 0.91675E-06 -0.30226E-05 784 0.107E-02
7 F= -.14284364E+04 E0= -.14284524E+04 d E =-.602463E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843691271E+04 -0.47380E-03 -0.56641E-01 896 0.130E+00 0.178E-01
DAV: 2 -0.142843812129E+04 -0.12086E-02 -0.15824E-02 1072 0.191E-01 0.115E-01
DAV: 3 -0.142843799860E+04 0.12269E-03 -0.58916E-04 1064 0.451E-02 0.695E-02
DAV: 4 -0.142843796021E+04 0.38391E-04 -0.23445E-04 1024 0.308E-02 0.240E-02
DAV: 5 -0.142843795751E+04 0.26904E-05 -0.44320E-05 880 0.144E-02
8 F= -.14284380E+04 E0= -.14284541E+04 d E =-.151952E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843826751E+04 -0.30730E-03 -0.56507E-02 912 0.409E-01 0.558E-02
DAV: 2 -0.142843838021E+04 -0.11270E-03 -0.15532E-03 1072 0.604E-02 0.366E-02
DAV: 3 -0.142843836746E+04 0.12747E-04 -0.63286E-05 1040 0.144E-02 0.219E-02
DAV: 4 -0.142843836354E+04 0.39188E-05 -0.20970E-05 648 0.954E-03
9 F= -.14284384E+04 E0= -.14284545E+04 d E =-.192555E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843881478E+04 -0.44732E-03 -0.49456E-01 896 0.121E+00 0.160E-01
DAV: 2 -0.142843974360E+04 -0.92882E-03 -0.12043E-02 1056 0.164E-01 0.105E-01
DAV: 3 -0.142843966349E+04 0.80116E-04 -0.42477E-04 1064 0.394E-02 0.650E-02
DAV: 4 -0.142843964024E+04 0.23243E-04 -0.16809E-04 1016 0.263E-02 0.234E-02
DAV: 5 -0.142843963963E+04 0.61459E-06 -0.35879E-05 808 0.128E-02
10 F= -.14284396E+04 E0= -.14284558E+04 d E =-.127608E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843972348E+04 -0.83237E-04 -0.25715E-02 896 0.275E-01 0.360E-02
DAV: 2 -0.142843976784E+04 -0.44357E-04 -0.61432E-04 1056 0.374E-02 0.244E-02
DAV: 3 -0.142843976295E+04 0.48909E-05 -0.21999E-05 648 0.925E-03
11 F= -.14284398E+04 E0= -.14284559E+04 d E =-.139940E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843960911E+04 0.15872E-03 -0.48627E-01 896 0.118E+00 0.159E-01
DAV: 2 -0.142844064865E+04 -0.10395E-02 -0.12730E-02 1032 0.167E-01 0.933E-02
DAV: 3 -0.142844059138E+04 0.57272E-04 -0.39853E-04 1064 0.370E-02 0.568E-02
DAV: 4 -0.142844058232E+04 0.90662E-05 -0.12912E-04 1024 0.236E-02 0.209E-02
DAV: 5 -0.142844058335E+04 -0.10338E-05 -0.30951E-05 816 0.119E-02
12 F= -.14284406E+04 E0= -.14284568E+04 d E =-.820404E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844064318E+04 -0.60860E-04 -0.35176E-02 896 0.319E-01 0.420E-02
DAV: 2 -0.142844071499E+04 -0.71813E-04 -0.91309E-04 1032 0.450E-02 0.259E-02
DAV: 3 -0.142844071014E+04 0.48499E-05 -0.29289E-05 768 0.102E-02
13 F= -.14284407E+04 E0= -.14284570E+04 d E =-.947193E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844098140E+04 -0.26641E-03 -0.22633E-01 896 0.797E-01 0.103E-01
DAV: 2 -0.142844143793E+04 -0.45653E-03 -0.55669E-03 1056 0.111E-01 0.617E-02
DAV: 3 -0.142844140977E+04 0.28160E-04 -0.15300E-04 1072 0.235E-02 0.375E-02
DAV: 4 -0.142844140476E+04 0.50085E-05 -0.65785E-05 1000 0.162E-02
14 F= -.14284414E+04 E0= -.14284577E+04 d E =-.694624E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844140314E+04 0.66273E-05 -0.30874E-04 944 0.302E-02 0.520E-03
DAV: 2 -0.142844140363E+04 -0.48620E-06 -0.10160E-05 560 0.548E-03
15 F= -.14284414E+04 E0= -.14284577E+04 d E =-.693491E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844167013E+04 -0.26699E-03 -0.16372E-01 896 0.673E-01 0.867E-02
DAV: 2 -0.142844198961E+04 -0.31948E-03 -0.39082E-03 1032 0.911E-02 0.523E-02
DAV: 3 -0.142844197301E+04 0.16604E-04 -0.10460E-04 1072 0.187E-02 0.311E-02
DAV: 4 -0.142844197126E+04 0.17468E-05 -0.36539E-05 848 0.130E-02
16 F= -.14284420E+04 E0= -.14284583E+04 d E =-.567630E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844197903E+04 -0.60274E-05 -0.20763E-03 912 0.755E-02 0.127E-02
DAV: 2 -0.142844198248E+04 -0.34505E-05 -0.47996E-05 792 0.107E-02
17 F= -.14284420E+04 E0= -.14284583E+04 d E =-.578854E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844230721E+04 -0.32817E-03 -0.70998E-02 896 0.444E-01 0.581E-02
DAV: 2 -0.142844244386E+04 -0.13665E-03 -0.16725E-03 1024 0.594E-02 0.352E-02
DAV: 3 -0.142844243781E+04 0.60543E-05 -0.41295E-05 904 0.120E-02
18 F= -.14284424E+04 E0= -.14284588E+04 d E =-.455321E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844244240E+04 0.14596E-05 -0.13336E-01 896 0.607E-01 0.803E-02
DAV: 2 -0.142844268753E+04 -0.24513E-03 -0.30466E-03 1024 0.805E-02 0.482E-02
DAV: 3 -0.142844267737E+04 0.10162E-04 -0.84700E-05 1080 0.167E-02 0.283E-02
DAV: 4 -0.142844267793E+04 -0.55545E-06 -0.28789E-05 768 0.123E-02
19 F= -.14284427E+04 E0= -.14284590E+04 d E =-.695443E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844289760E+04 -0.22023E-03 -0.11086E-01 896 0.554E-01 0.725E-02
DAV: 2 -0.142844310768E+04 -0.21008E-03 -0.26022E-03 1008 0.751E-02 0.438E-02
DAV: 3 -0.142844309738E+04 0.10299E-04 -0.69713E-05 1040 0.158E-02 0.261E-02
DAV: 4 -0.142844309814E+04 -0.76174E-06 -0.26190E-05 712 0.109E-02
20 F= -.14284431E+04 E0= -.14284594E+04 d E =-.420215E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844310635E+04 -0.89640E-05 -0.45253E-02 896 0.354E-01 0.473E-02
DAV: 2 -0.142844319133E+04 -0.84988E-04 -0.10595E-03 1024 0.480E-02 0.283E-02
DAV: 3 -0.142844318722E+04 0.41132E-05 -0.26363E-05 760 0.102E-02
21 F= -.14284432E+04 E0= -.14284594E+04 d E =-.509292E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844343561E+04 -0.24427E-03 -0.80355E-02 896 0.474E-01 0.617E-02
DAV: 2 -0.142844357905E+04 -0.14345E-03 -0.17844E-03 1024 0.626E-02 0.393E-02
DAV: 3 -0.142844357072E+04 0.83288E-05 -0.49245E-05 992 0.134E-02
22 F= -.14284436E+04 E0= -.14284598E+04 d E =-.383505E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844358468E+04 -0.56235E-05 -0.57575E-02 896 0.401E-01 0.540E-02
DAV: 2 -0.142844368262E+04 -0.97946E-04 -0.12432E-03 1024 0.524E-02 0.342E-02
DAV: 3 -0.142844367719E+04 0.54306E-05 -0.36301E-05 888 0.115E-02
23 F= -.14284437E+04 E0= -.14284600E+04 d E =-.489973E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844388600E+04 -0.20338E-03 -0.86271E-02 896 0.490E-01 0.638E-02
DAV: 2 -0.142844403557E+04 -0.14957E-03 -0.18880E-03 1048 0.639E-02 0.405E-02
DAV: 3 -0.142844402625E+04 0.93255E-05 -0.45236E-05 1000 0.129E-02
24 F= -.14284440E+04 E0= -.14284603E+04 d E =-.349055E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844400175E+04 0.33821E-04 -0.89412E-02 896 0.499E-01 0.659E-02
DAV: 2 -0.142844415238E+04 -0.15062E-03 -0.19226E-03 1048 0.647E-02 0.415E-02
DAV: 3 -0.142844414302E+04 0.93549E-05 -0.48283E-05 1016 0.132E-02
25 F= -.14284441E+04 E0= -.14284605E+04 d E =-.465829E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844431474E+04 -0.16237E-03 -0.10385E-01 896 0.536E-01 0.698E-02
DAV: 2 -0.142844449244E+04 -0.17770E-03 -0.22643E-03 1008 0.706E-02 0.457E-02
DAV: 3 -0.142844448029E+04 0.12151E-04 -0.60572E-05 1056 0.150E-02 0.269E-02
DAV: 4 -0.142844448027E+04 0.20336E-07 -0.29405E-05 792 0.111E-02
26 F= -.14284445E+04 E0= -.14284608E+04 d E =-.337250E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844449556E+04 -0.15263E-04 -0.37995E-02 896 0.324E-01 0.416E-02
DAV: 2 -0.142844456552E+04 -0.69964E-04 -0.86420E-04 1008 0.435E-02 0.272E-02
DAV: 3 -0.142844456053E+04 0.49930E-05 -0.18350E-05 744 0.913E-03
27 F= -.14284446E+04 E0= -.14284609E+04 d E =-.417505E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844477051E+04 -0.20499E-03 -0.75451E-02 896 0.459E-01 0.593E-02
DAV: 2 -0.142844490520E+04 -0.13469E-03 -0.16969E-03 1056 0.610E-02 0.390E-02
DAV: 3 -0.142844489496E+04 0.10245E-04 -0.42543E-05 968 0.128E-02 0.230E-02
DAV: 4 -0.142844489447E+04 0.48582E-06 -0.20818E-05 656 0.961E-03
28 F= -.14284449E+04 E0= -.14284612E+04 d E =-.333946E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844491799E+04 -0.23032E-04 -0.25163E-02 896 0.264E-01 0.341E-02
DAV: 2 -0.142844496567E+04 -0.47680E-04 -0.58527E-04 1056 0.357E-02 0.222E-02
DAV: 3 -0.142844496195E+04 0.37248E-05 -0.11650E-05 608 0.754E-03
29 F= -.14284450E+04 E0= -.14284612E+04 d E =-.401419E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844511531E+04 -0.14964E-03 -0.86524E-02 896 0.490E-01 0.623E-02
DAV: 2 -0.142844527126E+04 -0.15594E-03 -0.19433E-03 1024 0.643E-02 0.414E-02
DAV: 3 -0.142844526001E+04 0.11248E-04 -0.46913E-05 992 0.136E-02 0.246E-02
DAV: 4 -0.142844525987E+04 0.14028E-06 -0.24386E-05 744 0.101E-02
30 F= -.14284453E+04 E0= -.14284615E+04 d E =-.297924E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844527498E+04 -0.14970E-04 -0.22673E-02 896 0.250E-01 0.324E-02
DAV: 2 -0.142844531781E+04 -0.42833E-04 -0.52320E-04 1024 0.334E-02 0.211E-02
DAV: 3 -0.142844531474E+04 0.30769E-05 -0.10367E-05 600 0.717E-03
31 F= -.14284453E+04 E0= -.14284616E+04 d E =-.352791E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844543862E+04 -0.12081E-03 -0.93100E-02 896 0.507E-01 0.646E-02
DAV: 2 -0.142844560521E+04 -0.16658E-03 -0.20896E-03 1024 0.671E-02 0.432E-02
DAV: 3 -0.142844559250E+04 0.12710E-04 -0.49670E-05 1008 0.141E-02 0.259E-02
DAV: 4 -0.142844559240E+04 0.96567E-07 -0.29757E-05 792 0.110E-02
32 F= -.14284456E+04 E0= -.14284619E+04 d E =-.277666E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844560786E+04 -0.15360E-04 -0.14290E-02 896 0.198E-01 0.263E-02
DAV: 2 -0.142844563481E+04 -0.26949E-04 -0.33301E-04 1024 0.269E-02 0.172E-02
DAV: 3 -0.142844563278E+04 0.20293E-05 -0.66866E-06 544 0.589E-03
33 F= -.14284456E+04 E0= -.14284619E+04 d E =-.318043E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844550584E+04 0.12897E-03 -0.56187E-02 896 0.394E-01 0.504E-02
DAV: 2 -0.142844560557E+04 -0.99727E-04 -0.12563E-03 1024 0.520E-02 0.337E-02
DAV: 3 -0.142844559781E+04 0.77594E-05 -0.27775E-05 808 0.109E-02
34 F= -.14284456E+04 E0= -.14284619E+04 d E =-.283073E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844558734E+04 0.18232E-04 -0.27148E-02 896 0.274E-01 0.317E-02
DAV: 2 -0.142844564363E+04 -0.56289E-04 -0.67014E-04 1000 0.380E-02 0.224E-02
DAV: 3 -0.142844563895E+04 0.46762E-05 -0.12241E-05 608 0.772E-03
35 F= -.14284456E+04 E0= -.14284619E+04 d E =-.324213E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844572255E+04 -0.78923E-04 -0.59448E-02 896 0.404E-01 0.479E-02
DAV: 2 -0.142844583772E+04 -0.11517E-03 -0.13732E-03 984 0.541E-02 0.321E-02
DAV: 3 -0.142844582988E+04 0.78366E-05 -0.25592E-05 800 0.107E-02
36 F= -.14284458E+04 E0= -.14284621E+04 d E =-.190929E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844532961E+04 0.50811E-03 -0.40139E-01 896 0.105E+00 0.132E-01
DAV: 2 -0.142844604647E+04 -0.71687E-03 -0.87853E-03 1008 0.137E-01 0.868E-02
DAV: 3 -0.142844600053E+04 0.45945E-04 -0.18936E-04 1088 0.273E-02 0.514E-02
DAV: 4 -0.142844600394E+04 -0.34111E-05 -0.10977E-04 992 0.215E-02 0.139E-02
DAV: 5 -0.142844600443E+04 -0.48811E-06 -0.20854E-05 712 0.989E-03
37 F= -.14284460E+04 E0= -.14284623E+04 d E =-.365480E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844611484E+04 -0.11090E-03 -0.88975E-02 896 0.494E-01 0.620E-02
DAV: 2 -0.142844628260E+04 -0.16776E-03 -0.20117E-03 976 0.652E-02 0.410E-02
DAV: 3 -0.142844627254E+04 0.10067E-04 -0.40462E-05 936 0.133E-02 0.247E-02
DAV: 4 -0.142844627328E+04 -0.74758E-06 -0.27350E-05 784 0.105E-02
38 F= -.14284463E+04 E0= -.14284625E+04 d E =-.268856E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844619294E+04 0.79594E-04 -0.14691E-01 896 0.635E-01 0.799E-02
DAV: 2 -0.142844646618E+04 -0.27324E-03 -0.33125E-03 976 0.840E-02 0.531E-02
DAV: 3 -0.142844644889E+04 0.17294E-04 -0.70669E-05 1064 0.172E-02 0.321E-02
DAV: 4 -0.142844644969E+04 -0.80388E-06 -0.45202E-05 904 0.135E-02
39 F= -.14284464E+04 E0= -.14284627E+04 d E =-.445265E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844665775E+04 -0.20886E-03 -0.35253E-02 896 0.315E-01 0.416E-02
DAV: 2 -0.142844672598E+04 -0.68222E-04 -0.84184E-04 1048 0.432E-02 0.273E-02
DAV: 3 -0.142844672044E+04 0.55318E-05 -0.19256E-05 720 0.951E-03
40 F= -.14284467E+04 E0= -.14284630E+04 d E =-.270751E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844666146E+04 0.64516E-04 -0.10222E-01 896 0.537E-01 0.710E-02
DAV: 2 -0.142844684708E+04 -0.18562E-03 -0.23461E-03 1048 0.722E-02 0.469E-02
DAV: 3 -0.142844683240E+04 0.14681E-04 -0.65295E-05 1064 0.158E-02 0.279E-02
DAV: 4 -0.142844683183E+04 0.57460E-06 -0.32108E-05 824 0.119E-02
41 F= -.14284468E+04 E0= -.14284630E+04 d E =-.382135E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844682992E+04 0.24840E-05 -0.91269E-03 896 0.161E-01 0.194E-02
DAV: 2 -0.142844684661E+04 -0.16694E-04 -0.21460E-04 1040 0.218E-02 0.137E-02
DAV: 3 -0.142844684479E+04 0.18194E-05 -0.51933E-06 496 0.466E-03
42 F= -.14284468E+04 E0= -.14284630E+04 d E =-.395101E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844699542E+04 -0.14880E-03 -0.22405E-02 896 0.250E-01 0.312E-02
DAV: 2 -0.142844703717E+04 -0.41749E-04 -0.51668E-04 1016 0.338E-02 0.207E-02
DAV: 3 -0.142844703392E+04 0.32510E-05 -0.10991E-05 576 0.717E-03
43 F= -.14284470E+04 E0= -.14284632E+04 d E =-.189121E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844694480E+04 0.92367E-04 -0.19924E-01 896 0.747E-01 0.974E-02
DAV: 2 -0.142844729317E+04 -0.34837E-03 -0.44027E-03 1032 0.986E-02 0.633E-02
DAV: 3 -0.142844726839E+04 0.24778E-04 -0.11935E-04 1088 0.216E-02 0.376E-02
DAV: 4 -0.142844726890E+04 -0.51020E-06 -0.58781E-05 968 0.157E-02
44 F= -.14284473E+04 E0= -.14284634E+04 d E =-.424104E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844743712E+04 -0.16874E-03 -0.48923E-02 896 0.369E-01 0.488E-02
DAV: 2 -0.142844752224E+04 -0.85113E-04 -0.10806E-03 1008 0.491E-02 0.319E-02
DAV: 3 -0.142844751599E+04 0.62469E-05 -0.26668E-05 808 0.112E-02
45 F= -.14284475E+04 E0= -.14284637E+04 d E =-.247093E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844698168E+04 0.54055E-03 -0.42299E-01 896 0.109E+00 0.142E-01
DAV: 2 -0.142844768076E+04 -0.69908E-03 -0.90683E-03 1008 0.142E-01 0.936E-02
DAV: 3 -0.142844762671E+04 0.54057E-04 -0.25100E-04 1080 0.319E-02 0.554E-02
DAV: 4 -0.142844762862E+04 -0.19169E-05 -0.13555E-04 1000 0.229E-02 0.160E-02
DAV: 5 -0.142844762878E+04 -0.15987E-06 -0.21384E-05 712 0.107E-02
46 F= -.14284476E+04 E0= -.14284637E+04 d E =-.359885E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844759540E+04 0.33223E-04 -0.68642E-02 896 0.437E-01 0.555E-02
DAV: 2 -0.142844770705E+04 -0.11165E-03 -0.14777E-03 1008 0.575E-02 0.373E-02
DAV: 3 -0.142844769680E+04 0.10253E-04 -0.40421E-05 912 0.129E-02 0.221E-02
DAV: 4 -0.142844769569E+04 0.11053E-05 -0.22761E-05 664 0.945E-03
47 F= -.14284477E+04 E0= -.14284638E+04 d E =-.426796E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844788660E+04 -0.18980E-03 -0.86264E-02 896 0.491E-01 0.615E-02
DAV: 2 -0.142844803652E+04 -0.14991E-03 -0.19103E-03 1008 0.653E-02 0.405E-02
DAV: 3 -0.142844802466E+04 0.11860E-04 -0.48700E-05 992 0.137E-02 0.240E-02
DAV: 4 -0.142844802395E+04 0.70304E-06 -0.24496E-05 704 0.105E-02
48 F= -.14284480E+04 E0= -.14284641E+04 d E =-.328260E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844805598E+04 -0.31320E-04 -0.58903E-02 896 0.405E-01 0.534E-02
DAV: 2 -0.142844816009E+04 -0.10411E-03 -0.13215E-03 1032 0.545E-02 0.341E-02
DAV: 3 -0.142844815249E+04 0.76014E-05 -0.32047E-05 856 0.118E-02
49 F= -.14284482E+04 E0= -.14284643E+04 d E =-.456796E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844765709E+04 0.50300E-03 -0.23328E-01 896 0.807E-01 0.106E-01
DAV: 2 -0.142844805043E+04 -0.39334E-03 -0.50794E-03 1032 0.107E-01 0.684E-02
DAV: 3 -0.142844802100E+04 0.29426E-04 -0.13636E-04 1072 0.230E-02 0.399E-02
DAV: 4 -0.142844802167E+04 -0.66167E-06 -0.68901E-05 1016 0.171E-02
50 F= -.14284480E+04 E0= -.14284642E+04 d E =-.325972E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844794555E+04 0.75454E-04 -0.14187E-01 896 0.630E-01 0.779E-02
DAV: 2 -0.142844819064E+04 -0.24509E-03 -0.31335E-03 1008 0.834E-02 0.518E-02
DAV: 3 -0.142844817073E+04 0.19912E-04 -0.81481E-05 1072 0.174E-02 0.304E-02
DAV: 4 -0.142844816849E+04 0.22472E-05 -0.38777E-05 864 0.129E-02
51 F= -.14284482E+04 E0= -.14284643E+04 d E =-.472792E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844836650E+04 -0.19576E-03 -0.91550E-02 896 0.504E-01 0.619E-02
DAV: 2 -0.142844851932E+04 -0.15282E-03 -0.19594E-03 992 0.655E-02 0.420E-02
DAV: 3 -0.142844850647E+04 0.12852E-04 -0.47180E-05 1000 0.140E-02 0.250E-02
DAV: 4 -0.142844850557E+04 0.90020E-06 -0.28358E-05 792 0.107E-02
52 F= -.14284485E+04 E0= -.14284647E+04 d E =-.337081E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844855005E+04 -0.43579E-04 -0.96990E-02 896 0.518E-01 0.667E-02
DAV: 2 -0.142844871631E+04 -0.16627E-03 -0.21073E-03 1000 0.682E-02 0.441E-02
DAV: 3 -0.142844870384E+04 0.12477E-04 -0.51248E-05 1000 0.151E-02 0.265E-02
DAV: 4 -0.142844870417E+04 -0.33181E-06 -0.32969E-05 840 0.114E-02
53 F= -.14284487E+04 E0= -.14284649E+04 d E =-.535681E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844804070E+04 0.66313E-03 -0.38734E-01 896 0.104E+00 0.132E-01
DAV: 2 -0.142844870189E+04 -0.66118E-03 -0.83876E-03 1000 0.136E-01 0.877E-02
DAV: 3 -0.142844865139E+04 0.50492E-04 -0.20697E-04 1088 0.298E-02 0.526E-02
DAV: 4 -0.142844865116E+04 0.23525E-06 -0.12751E-04 1016 0.225E-02 0.153E-02
DAV: 5 -0.142844865167E+04 -0.50665E-06 -0.20074E-05 664 0.981E-03
54 F= -.14284487E+04 E0= -.14284648E+04 d E =-.483180E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844847192E+04 0.17924E-03 -0.18574E-01 896 0.718E-01 0.901E-02
DAV: 2 -0.142844877845E+04 -0.30653E-03 -0.39690E-03 1000 0.936E-02 0.606E-02
DAV: 3 -0.142844875283E+04 0.25614E-04 -0.10192E-04 1080 0.205E-02 0.360E-02
DAV: 4 -0.142844875099E+04 0.18444E-05 -0.58095E-05 960 0.152E-02
55 F= -.14284488E+04 E0= -.14284649E+04 d E =-.582505E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844866881E+04 0.84025E-04 -0.46213E-02 896 0.358E-01 0.435E-02
DAV: 2 -0.142844874462E+04 -0.75811E-04 -0.98577E-04 992 0.465E-02 0.298E-02
DAV: 3 -0.142844873767E+04 0.69509E-05 -0.22133E-05 752 0.989E-03
56 F= -.14284487E+04 E0= -.14284649E+04 d E =-.569185E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844886077E+04 -0.11615E-03 -0.55943E-02 896 0.392E-01 0.514E-02
DAV: 2 -0.142844894782E+04 -0.87054E-04 -0.11288E-03 1008 0.498E-02 0.335E-02
DAV: 3 -0.142844894161E+04 0.62119E-05 -0.26786E-05 808 0.108E-02
57 F= -.14284489E+04 E0= -.14284651E+04 d E =-.203939E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844848396E+04 0.46386E-03 -0.50690E-01 896 0.118E+00 0.150E-01
DAV: 2 -0.142844931027E+04 -0.82631E-03 -0.10501E-02 1008 0.151E-01 0.989E-02
DAV: 3 -0.142844925004E+04 0.60227E-04 -0.24910E-04 1072 0.321E-02 0.579E-02
DAV: 4 -0.142844925245E+04 -0.24091E-05 -0.14255E-04 1016 0.244E-02 0.162E-02
DAV: 5 -0.142844925241E+04 0.45002E-07 -0.25654E-05 720 0.112E-02
58 F= -.14284493E+04 E0= -.14284653E+04 d E =-.514735E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844952763E+04 -0.27518E-03 -0.17965E-02 896 0.225E-01 0.310E-02
DAV: 2 -0.142844956199E+04 -0.34356E-04 -0.42882E-04 1040 0.310E-02 0.191E-02
DAV: 3 -0.142844955913E+04 0.28555E-05 -0.10754E-05 560 0.689E-03
59 F= -.14284496E+04 E0= -.14284656E+04 d E =-.306727E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844965406E+04 -0.92077E-04 -0.13953E-01 896 0.627E-01 0.859E-02
DAV: 2 -0.142844990243E+04 -0.24837E-03 -0.32434E-03 1040 0.857E-02 0.541E-02
DAV: 3 -0.142844987929E+04 0.23140E-04 -0.10069E-04 1064 0.190E-02 0.310E-02
DAV: 4 -0.142844987626E+04 0.30270E-05 -0.38915E-05 912 0.130E-02
60 F= -.14284499E+04 E0= -.14284659E+04 d E =-.623858E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142845007725E+04 -0.19796E-03 -0.15918E-02 896 0.212E-01 0.294E-02
DAV: 2 -0.142845010395E+04 -0.26698E-04 -0.35144E-04 1016 0.286E-02 0.192E-02
DAV: 3 -0.142845010152E+04 0.24291E-05 -0.10276E-05 560 0.726E-03
61 F= -.14284501E+04 E0= -.14284661E+04 d E =-.225261E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142845020375E+04 -0.99800E-04 -0.14183E-01 896 0.634E-01 0.841E-02
DAV: 2 -0.142845042642E+04 -0.22267E-03 -0.30039E-03 1016 0.834E-02 0.565E-02
DAV: 3 -0.142845040646E+04 0.19969E-04 -0.10337E-04 1072 0.204E-02 0.335E-02
DAV: 4 -0.142845040427E+04 0.21812E-05 -0.49044E-05 912 0.136E-02
62 F= -.14284504E+04 E0= -.14284664E+04 d E =-.528012E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142845061238E+04 -0.20592E-03 -0.85561E-03 896 0.157E-01 0.225E-02
DAV: 2 -0.142845062667E+04 -0.14296E-04 -0.20658E-04 1064 0.224E-02 0.144E-02
DAV: 3 -0.142845062482E+04 0.18501E-05 -0.72229E-06 544 0.574E-03
63 F= -.14284506E+04 E0= -.14284666E+04 d E =-.220548E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142845072476E+04 -0.98088E-04 -0.32480E-02 896 0.307E-01 0.430E-02
DAV: 2 -0.142845077697E+04 -0.52209E-04 -0.75347E-04 1080 0.427E-02 0.280E-02
DAV: 3 -0.142845076987E+04 0.71042E-05 -0.28126E-05 760 0.106E-02
64 F= -.14284508E+04 E0= -.14284668E+04 d E =-.365591E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142845091650E+04 -0.13953E-03 -0.12067E-02 896 0.186E-01 0.279E-02
DAV: 2 -0.142845093578E+04 -0.19275E-04 -0.27427E-04 1064 0.253E-02 0.174E-02
DAV: 3 -0.142845093324E+04 0.25354E-05 -0.98412E-06 568 0.653E-03
65 F= -.14284509E+04 E0= -.14284670E+04 d E =-.163376E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142845097525E+04 -0.39470E-04 -0.19585E-02 896 0.238E-01 0.344E-02
DAV: 2 -0.142845100762E+04 -0.32370E-04 -0.44600E-04 1064 0.323E-02 0.213E-02
DAV: 3 -0.142845100362E+04 0.40014E-05 -0.14747E-05 648 0.802E-03
66 F= -.14284510E+04 E0= -.14284671E+04 d E =-.233750E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142845117377E+04 -0.16616E-03 -0.16712E-02 896 0.219E-01 0.311E-02
DAV: 2 -0.142845119966E+04 -0.25887E-04 -0.36794E-04 1056 0.299E-02 0.204E-02
DAV: 3 -0.142845119660E+04 0.30586E-05 -0.12907E-05 584 0.756E-03
67 F= -.14284512E+04 E0= -.14284673E+04 d E =-.192987E-03