./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 0.395109780195E+04 0.39511E+04 -0.28877E+05 896 0.111E+03
DAV: 2 -0.104830958542E+04 -0.49994E+04 -0.48133E+04 1160 0.298E+02
DAV: 3 -0.152535033200E+04 -0.47704E+03 -0.47206E+03 1032 0.975E+01
DAV: 4 -0.153749216994E+04 -0.12142E+02 -0.12093E+02 1104 0.167E+01
DAV: 5 -0.153787121857E+04 -0.37905E+00 -0.37857E+00 1120 0.276E+00 0.624E+01
DAV: 6 -0.144819201778E+04 0.89679E+02 -0.17259E+02 1000 0.196E+01 0.340E+01
DAV: 7 -0.143045176180E+04 0.17740E+02 -0.47552E+01 1064 0.113E+01 0.159E+01
DAV: 8 -0.142861514930E+04 0.18366E+01 -0.10626E+01 1048 0.495E+00 0.579E+00
DAV: 9 -0.142856210251E+04 0.53047E-01 -0.12611E+00 1056 0.234E+00 0.195E+00
DAV: 10 -0.142856019241E+04 0.19101E-02 -0.33667E-01 992 0.113E+00 0.623E-01
DAV: 11 -0.142856681103E+04 -0.66186E-02 -0.61173E-02 1024 0.454E-01 0.342E-01
DAV: 12 -0.142856807763E+04 -0.12666E-02 -0.94703E-03 1008 0.233E-01 0.198E-01
DAV: 13 -0.142856678181E+04 0.12958E-02 -0.39423E-03 1016 0.180E-01 0.116E-01
DAV: 14 -0.142856518579E+04 0.15960E-02 -0.23192E-03 1040 0.131E-01 0.631E-02
DAV: 15 -0.142856461167E+04 0.57411E-03 -0.10745E-03 1048 0.801E-02 0.381E-02
DAV: 16 -0.142856445598E+04 0.15569E-03 -0.24516E-04 1136 0.407E-02 0.242E-02
DAV: 17 -0.142856439823E+04 0.57755E-04 -0.35754E-05 960 0.237E-02 0.120E-02
DAV: 18 -0.142856436827E+04 0.29952E-04 -0.10683E-05 840 0.225E-02 0.681E-03
DAV: 19 -0.142856435940E+04 0.88763E-05 -0.38383E-05 1008 0.170E-02
1 F= -.14285644E+04 E0= -.14285813E+04 d E =-.142856E+04
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142839146504E+04 0.17290E+00 -0.20810E+01 912 0.758E+00 0.137E+00
DAV: 2 -0.142844336509E+04 -0.51900E-01 -0.76322E-01 1080 0.127E+00 0.815E-01
DAV: 3 -0.142843345118E+04 0.99139E-02 -0.23838E-02 1040 0.298E-01 0.485E-01
DAV: 4 -0.142843100524E+04 0.24459E-02 -0.13861E-02 1024 0.220E-01 0.172E-01
DAV: 5 -0.142843098509E+04 0.20152E-04 -0.27671E-03 1104 0.101E-01 0.865E-02
DAV: 6 -0.142843095414E+04 0.30951E-04 -0.54227E-04 1024 0.455E-02 0.398E-02
DAV: 7 -0.142843092383E+04 0.30307E-04 -0.10855E-04 1040 0.213E-02 0.210E-02
DAV: 8 -0.142843091138E+04 0.12450E-04 -0.29328E-05 864 0.137E-02 0.805E-03
DAV: 9 -0.142843090487E+04 0.65125E-05 -0.80825E-06 648 0.951E-03
2 F= -.14284309E+04 E0= -.14284469E+04 d E =0.133455E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142855561193E+04 -0.12470E+00 -0.11851E+01 912 0.574E+00 0.103E+00
DAV: 2 -0.142858683432E+04 -0.31222E-01 -0.45738E-01 1080 0.970E-01 0.629E-01
DAV: 3 -0.142858109915E+04 0.57352E-02 -0.13213E-02 1048 0.223E-01 0.389E-01
DAV: 4 -0.142857952368E+04 0.15755E-02 -0.89761E-03 1024 0.174E-01 0.137E-01
DAV: 5 -0.142857951898E+04 0.46964E-05 -0.16896E-03 1056 0.789E-02 0.680E-02
DAV: 6 -0.142857950211E+04 0.16872E-04 -0.36365E-04 1040 0.364E-02 0.312E-02
DAV: 7 -0.142857948406E+04 0.18054E-04 -0.62743E-05 1016 0.162E-02 0.168E-02
DAV: 8 -0.142857947832E+04 0.57351E-05 -0.20610E-05 728 0.892E-03
3 F= -.14285795E+04 E0= -.14285959E+04 d E =-.151189E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142859020108E+04 -0.10717E-01 -0.48263E+00 896 0.377E+00 0.625E-01
DAV: 2 -0.142859856983E+04 -0.83688E-02 -0.12870E-01 1032 0.564E-01 0.435E-01
DAV: 3 -0.142859664823E+04 0.19216E-02 -0.56431E-03 1040 0.162E-01 0.272E-01
DAV: 4 -0.142859636054E+04 0.28769E-03 -0.49380E-03 1008 0.119E-01 0.991E-02
DAV: 5 -0.142859632187E+04 0.38665E-04 -0.53104E-04 1128 0.510E-02 0.491E-02
DAV: 6 -0.142859631616E+04 0.57172E-05 -0.16540E-04 1040 0.252E-02 0.245E-02
DAV: 7 -0.142859631130E+04 0.48611E-05 -0.32467E-05 792 0.127E-02
4 F= -.14285963E+04 E0= -.14286125E+04 d E =-.168330E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142859809407E+04 -0.17779E-02 -0.30467E-01 912 0.946E-01 0.157E-01
DAV: 2 -0.142859859690E+04 -0.50283E-03 -0.80876E-03 1032 0.141E-01 0.109E-01
DAV: 3 -0.142859847212E+04 0.12478E-03 -0.34777E-04 1040 0.406E-02 0.684E-02
DAV: 4 -0.142859845252E+04 0.19599E-04 -0.30863E-04 1008 0.299E-02 0.248E-02
DAV: 5 -0.142859844908E+04 0.34484E-05 -0.30986E-05 792 0.126E-02
5 F= -.14285984E+04 E0= -.14286147E+04 d E =-.189708E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142857627211E+04 0.22180E-01 -0.53186E+00 896 0.392E+00 0.616E-01
DAV: 2 -0.142858569076E+04 -0.94187E-02 -0.14860E-01 1064 0.577E-01 0.366E-01
DAV: 3 -0.142858401115E+04 0.16796E-02 -0.54499E-03 1048 0.146E-01 0.220E-01
DAV: 4 -0.142858376165E+04 0.24950E-03 -0.29526E-03 1040 0.987E-02 0.846E-02
DAV: 5 -0.142858376779E+04 -0.61402E-05 -0.46810E-04 1056 0.447E-02 0.359E-02
DAV: 6 -0.142858376267E+04 0.51266E-05 -0.72906E-05 1008 0.171E-02
6 F= -.14285838E+04 E0= -.14286004E+04 d E =0.146864E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142860122483E+04 -0.17457E-01 -0.22418E+00 896 0.255E+00 0.400E-01
DAV: 2 -0.142860518828E+04 -0.39634E-02 -0.63748E-02 1064 0.376E-01 0.240E-01
DAV: 3 -0.142860446194E+04 0.72633E-03 -0.22678E-03 1056 0.946E-02 0.146E-01
DAV: 4 -0.142860435405E+04 0.10789E-03 -0.12818E-03 1048 0.636E-02 0.564E-02
DAV: 5 -0.142860435983E+04 -0.57748E-05 -0.19437E-04 1032 0.285E-02 0.231E-02
DAV: 6 -0.142860435801E+04 0.18154E-05 -0.28554E-05 752 0.104E-02
7 F= -.14286044E+04 E0= -.14286209E+04 d E =-.590893E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142860484311E+04 -0.48328E-03 -0.52282E-01 896 0.125E+00 0.174E-01
DAV: 2 -0.142860599709E+04 -0.11540E-02 -0.15121E-02 1064 0.187E-01 0.112E-01
DAV: 3 -0.142860588240E+04 0.11469E-03 -0.58256E-04 1072 0.443E-02 0.674E-02
DAV: 4 -0.142860584306E+04 0.39339E-04 -0.21387E-04 1032 0.298E-02 0.229E-02
DAV: 5 -0.142860584121E+04 0.18498E-05 -0.43474E-05 888 0.140E-02
8 F= -.14286058E+04 E0= -.14286222E+04 d E =-.148321E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142860611625E+04 -0.27318E-03 -0.49631E-02 912 0.384E-01 0.532E-02
DAV: 2 -0.142860621801E+04 -0.10176E-03 -0.14117E-03 1064 0.578E-02 0.347E-02
DAV: 3 -0.142860620666E+04 0.11344E-04 -0.60144E-05 1056 0.140E-02 0.210E-02
DAV: 4 -0.142860620255E+04 0.41141E-05 -0.18234E-05 608 0.904E-03
9 F= -.14286062E+04 E0= -.14286226E+04 d E =-.184454E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142860664649E+04 -0.43983E-03 -0.46868E-01 896 0.117E+00 0.156E-01
DAV: 2 -0.142860753761E+04 -0.89112E-03 -0.11541E-02 1048 0.160E-01 0.103E-01
DAV: 3 -0.142860746046E+04 0.77150E-04 -0.41818E-04 1072 0.386E-02 0.632E-02
DAV: 4 -0.142860743970E+04 0.20767E-04 -0.15820E-04 1024 0.253E-02 0.229E-02
DAV: 5 -0.142860743993E+04 -0.23669E-06 -0.35548E-05 816 0.125E-02
10 F= -.14286074E+04 E0= -.14286238E+04 d E =-.123738E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142860751972E+04 -0.80023E-04 -0.24419E-02 912 0.268E-01 0.351E-02
DAV: 2 -0.142860756250E+04 -0.42781E-04 -0.59141E-04 1048 0.365E-02 0.239E-02
DAV: 3 -0.142860755748E+04 0.50234E-05 -0.21852E-05 680 0.906E-03
11 F= -.14286076E+04 E0= -.14286239E+04 d E =-.135493E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142860753529E+04 0.27213E-04 -0.42346E-01 896 0.111E+00 0.149E-01
DAV: 2 -0.142860844649E+04 -0.91120E-03 -0.11156E-02 1040 0.157E-01 0.885E-02
DAV: 3 -0.142860839528E+04 0.51205E-04 -0.34304E-04 1064 0.343E-02 0.542E-02
DAV: 4 -0.142860838984E+04 0.54408E-05 -0.11963E-04 1016 0.220E-02 0.203E-02
DAV: 5 -0.142860839140E+04 -0.15551E-05 -0.25866E-05 736 0.111E-02
12 F= -.14286084E+04 E0= -.14286247E+04 d E =-.833922E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142860843653E+04 -0.46687E-04 -0.24698E-02 896 0.267E-01 0.351E-02
DAV: 2 -0.142860848658E+04 -0.50050E-04 -0.63999E-04 1040 0.379E-02 0.220E-02
DAV: 3 -0.142860848272E+04 0.38601E-05 -0.20213E-05 688 0.852E-03
13 F= -.14286085E+04 E0= -.14286248E+04 d E =-.925244E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142860880095E+04 -0.31437E-03 -0.19326E-01 896 0.736E-01 0.959E-02
DAV: 2 -0.142860918350E+04 -0.38255E-03 -0.47249E-03 1048 0.103E-01 0.574E-02
DAV: 3 -0.142860915817E+04 0.25330E-04 -0.13001E-04 1072 0.217E-02 0.348E-02
DAV: 4 -0.142860915446E+04 0.37062E-05 -0.57275E-05 1000 0.153E-02
14 F= -.14286092E+04 E0= -.14286254E+04 d E =-.671742E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142860915642E+04 0.17453E-05 -0.85203E-05 928 0.162E-02 0.659E-03
DAV: 2 -0.142860915624E+04 0.18530E-06 -0.42550E-06 520 0.414E-03
15 F= -.14286092E+04 E0= -.14286254E+04 d E =-.673518E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142860943742E+04 -0.28100E-03 -0.15417E-01 896 0.651E-01 0.846E-02
DAV: 2 -0.142860973571E+04 -0.29830E-03 -0.36598E-03 1032 0.882E-02 0.514E-02
DAV: 3 -0.142860971935E+04 0.16368E-04 -0.10176E-04 1080 0.179E-02 0.305E-02
DAV: 4 -0.142860971652E+04 0.28251E-05 -0.31265E-05 792 0.124E-02
16 F= -.14286097E+04 E0= -.14286259E+04 d E =-.560284E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142860972576E+04 -0.64112E-05 -0.29076E-03 912 0.891E-02 0.141E-02
DAV: 2 -0.142860973085E+04 -0.50877E-05 -0.67487E-05 920 0.123E-02
17 F= -.14286097E+04 E0= -.14286260E+04 d E =-.574608E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861005552E+04 -0.32977E-03 -0.67301E-02 896 0.432E-01 0.572E-02
DAV: 2 -0.142861018478E+04 -0.12926E-03 -0.15823E-03 1040 0.581E-02 0.348E-02
DAV: 3 -0.142861017845E+04 0.63304E-05 -0.37409E-05 904 0.115E-02
18 F= -.14286102E+04 E0= -.14286264E+04 d E =-.447603E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861016962E+04 0.15156E-04 -0.14981E-01 896 0.644E-01 0.853E-02
DAV: 2 -0.142861044584E+04 -0.27622E-03 -0.34271E-03 1032 0.858E-02 0.512E-02
DAV: 3 -0.142861043360E+04 0.12236E-04 -0.89710E-05 1072 0.173E-02 0.302E-02
DAV: 4 -0.142861043246E+04 0.11401E-05 -0.34287E-05 832 0.129E-02
19 F= -.14286104E+04 E0= -.14286267E+04 d E =-.701617E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861065907E+04 -0.22547E-03 -0.10246E-01 896 0.534E-01 0.705E-02
DAV: 2 -0.142861085774E+04 -0.19867E-03 -0.24281E-03 1024 0.728E-02 0.421E-02
DAV: 3 -0.142861084800E+04 0.97452E-05 -0.65814E-05 1056 0.152E-02
20 F= -.14286108E+04 E0= -.14286271E+04 d E =-.415535E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861083630E+04 0.21447E-04 -0.70171E-02 896 0.442E-01 0.620E-02
DAV: 2 -0.142861095913E+04 -0.12284E-03 -0.15723E-03 1024 0.587E-02 0.377E-02
DAV: 3 -0.142861095296E+04 0.61722E-05 -0.50264E-05 984 0.130E-02
21 F= -.14286110E+04 E0= -.14286272E+04 d E =-.520498E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861119453E+04 -0.23540E-03 -0.10299E-01 896 0.537E-01 0.705E-02
DAV: 2 -0.142861137716E+04 -0.18263E-03 -0.22570E-03 1024 0.706E-02 0.446E-02
DAV: 3 -0.142861136731E+04 0.98487E-05 -0.61529E-05 1040 0.150E-02
22 F= -.14286114E+04 E0= -.14286276E+04 d E =-.414351E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861134910E+04 0.28056E-04 -0.90968E-02 896 0.505E-01 0.674E-02
DAV: 2 -0.142861150647E+04 -0.15737E-03 -0.19600E-03 1024 0.658E-02 0.425E-02
DAV: 3 -0.142861149828E+04 0.81960E-05 -0.54607E-05 1000 0.140E-02
23 F= -.14286115E+04 E0= -.14286278E+04 d E =-.545317E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861171474E+04 -0.20826E-03 -0.14131E-01 896 0.627E-01 0.816E-02
DAV: 2 -0.142861196165E+04 -0.24691E-03 -0.30502E-03 1040 0.814E-02 0.517E-02
DAV: 3 -0.142861194789E+04 0.13761E-04 -0.77675E-05 1064 0.165E-02 0.297E-02
DAV: 4 -0.142861194871E+04 -0.82071E-06 -0.33044E-05 848 0.117E-02
24 F= -.14286119E+04 E0= -.14286282E+04 d E =-.450432E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861198597E+04 -0.38083E-04 -0.10972E-02 896 0.174E-01 0.234E-02
DAV: 2 -0.142861200722E+04 -0.21247E-04 -0.24833E-04 1040 0.232E-02 0.143E-02
DAV: 3 -0.142861200619E+04 0.10260E-05 -0.48946E-06 528 0.491E-03
25 F= -.14286120E+04 E0= -.14286282E+04 d E =-.507916E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861196283E+04 0.44386E-04 -0.43010E-02 896 0.346E-01 0.443E-02
DAV: 2 -0.142861203966E+04 -0.76832E-04 -0.93451E-04 1048 0.450E-02 0.281E-02
DAV: 3 -0.142861203525E+04 0.44184E-05 -0.20543E-05 720 0.898E-03
26 F= -.14286120E+04 E0= -.14286282E+04 d E =-.536969E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861219377E+04 -0.15410E-03 -0.10222E-01 896 0.532E-01 0.670E-02
DAV: 2 -0.142861237243E+04 -0.17866E-03 -0.21871E-03 1008 0.690E-02 0.439E-02
DAV: 3 -0.142861236257E+04 0.98594E-05 -0.53833E-05 1016 0.139E-02
27 F= -.14286124E+04 E0= -.14286285E+04 d E =-.327325E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861229857E+04 0.73856E-04 -0.12509E-01 896 0.589E-01 0.762E-02
DAV: 2 -0.142861250983E+04 -0.21126E-03 -0.26337E-03 1008 0.760E-02 0.497E-02
DAV: 3 -0.142861249837E+04 0.11461E-04 -0.70037E-05 1048 0.157E-02 0.288E-02
DAV: 4 -0.142861249984E+04 -0.14673E-05 -0.30444E-05 808 0.114E-02
28 F= -.14286125E+04 E0= -.14286286E+04 d E =-.464591E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861274132E+04 -0.24295E-03 -0.77996E-02 896 0.467E-01 0.603E-02
DAV: 2 -0.142861288652E+04 -0.14520E-03 -0.18013E-03 1024 0.638E-02 0.395E-02
DAV: 3 -0.142861287670E+04 0.98195E-05 -0.44672E-05 944 0.134E-02
29 F= -.14286129E+04 E0= -.14286290E+04 d E =-.376866E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861284733E+04 0.39198E-04 -0.88998E-02 896 0.499E-01 0.672E-02
DAV: 2 -0.142861299701E+04 -0.14968E-03 -0.19501E-03 1032 0.668E-02 0.436E-02
DAV: 3 -0.142861298684E+04 0.10165E-04 -0.56372E-05 1048 0.144E-02 0.255E-02
DAV: 4 -0.142861298741E+04 -0.56381E-06 -0.27399E-05 768 0.107E-02
30 F= -.14286130E+04 E0= -.14286292E+04 d E =-.487570E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861314660E+04 -0.15975E-03 -0.63380E-02 896 0.419E-01 0.534E-02
DAV: 2 -0.142861326340E+04 -0.11680E-03 -0.14193E-03 1016 0.556E-02 0.343E-02
DAV: 3 -0.142861325617E+04 0.72312E-05 -0.30573E-05 864 0.113E-02
31 F= -.14286133E+04 E0= -.14286295E+04 d E =-.268759E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861297457E+04 0.28883E-03 -0.26469E-01 896 0.857E-01 0.110E-01
DAV: 2 -0.142861343630E+04 -0.46174E-03 -0.57460E-03 1016 0.112E-01 0.711E-02
DAV: 3 -0.142861340735E+04 0.28951E-04 -0.14080E-04 1064 0.228E-02 0.415E-02
DAV: 4 -0.142861340965E+04 -0.23024E-05 -0.70404E-05 992 0.169E-02
32 F= -.14286134E+04 E0= -.14286297E+04 d E =-.422246E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861336351E+04 0.43846E-04 -0.34068E-02 896 0.308E-01 0.366E-02
DAV: 2 -0.142861342245E+04 -0.58946E-04 -0.75092E-04 1000 0.403E-02 0.251E-02
DAV: 3 -0.142861341729E+04 0.51587E-05 -0.15581E-05 680 0.785E-03
33 F= -.14286134E+04 E0= -.14286297E+04 d E =-.429885E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861365213E+04 -0.22968E-03 -0.43585E-02 896 0.348E-01 0.429E-02
DAV: 2 -0.142861373574E+04 -0.83613E-04 -0.10316E-03 1056 0.478E-02 0.290E-02
DAV: 3 -0.142861372816E+04 0.75800E-05 -0.23636E-05 728 0.993E-03
34 F= -.14286137E+04 E0= -.14286300E+04 d E =-.310867E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861375766E+04 -0.21923E-04 -0.33669E-02 896 0.306E-01 0.415E-02
DAV: 2 -0.142861381376E+04 -0.56102E-04 -0.72303E-04 1056 0.401E-02 0.272E-02
DAV: 3 -0.142861380878E+04 0.49855E-05 -0.18884E-05 688 0.893E-03
35 F= -.14286138E+04 E0= -.14286300E+04 d E =-.391486E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861397933E+04 -0.16557E-03 -0.47678E-02 896 0.362E-01 0.469E-02
DAV: 2 -0.142861406169E+04 -0.82356E-04 -0.10181E-03 1048 0.471E-02 0.304E-02
DAV: 3 -0.142861405586E+04 0.58334E-05 -0.23283E-05 736 0.100E-02
36 F= -.14286141E+04 E0= -.14286303E+04 d E =-.247078E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861402183E+04 0.39859E-04 -0.96102E-02 896 0.514E-01 0.665E-02
DAV: 2 -0.142861418654E+04 -0.16471E-03 -0.20427E-03 1048 0.667E-02 0.432E-02
DAV: 3 -0.142861417510E+04 0.11435E-04 -0.50396E-05 960 0.141E-02 0.250E-02
DAV: 4 -0.142861417547E+04 -0.37230E-06 -0.25134E-05 696 0.104E-02
37 F= -.14286142E+04 E0= -.14286304E+04 d E =-.366695E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861434064E+04 -0.16554E-03 -0.29466E-02 896 0.284E-01 0.366E-02
DAV: 2 -0.142861439251E+04 -0.51868E-04 -0.63580E-04 1008 0.371E-02 0.233E-02
DAV: 3 -0.142861438906E+04 0.34533E-05 -0.12943E-05 632 0.763E-03
38 F= -.14286144E+04 E0= -.14286306E+04 d E =-.213585E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861427046E+04 0.12205E-03 -0.26275E-01 896 0.848E-01 0.108E-01
DAV: 2 -0.142861471621E+04 -0.44575E-03 -0.55444E-03 1008 0.109E-01 0.699E-02
DAV: 3 -0.142861468620E+04 0.30012E-04 -0.13138E-04 1072 0.220E-02 0.404E-02
DAV: 4 -0.142861468736E+04 -0.11617E-05 -0.66853E-05 1000 0.165E-02
39 F= -.14286147E+04 E0= -.14286308E+04 d E =-.511888E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861490294E+04 -0.21674E-03 -0.47454E-02 896 0.363E-01 0.474E-02
DAV: 2 -0.142861498883E+04 -0.85891E-04 -0.10572E-03 1032 0.483E-02 0.315E-02
DAV: 3 -0.142861498292E+04 0.59096E-05 -0.24773E-05 744 0.105E-02
40 F= -.14286150E+04 E0= -.14286311E+04 d E =-.295560E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861456317E+04 0.42567E-03 -0.33997E-01 896 0.973E-01 0.124E-01
DAV: 2 -0.142861514824E+04 -0.58508E-03 -0.73382E-03 1032 0.127E-01 0.839E-02
DAV: 3 -0.142861510677E+04 0.41474E-04 -0.19503E-04 1080 0.268E-02 0.495E-02
DAV: 4 -0.142861510538E+04 0.13862E-05 -0.96241E-05 1008 0.193E-02
41 F= -.14286151E+04 E0= -.14286313E+04 d E =-.418020E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861507033E+04 0.36438E-04 -0.67367E-02 896 0.433E-01 0.527E-02
DAV: 2 -0.142861518466E+04 -0.11433E-03 -0.14662E-03 1024 0.567E-02 0.368E-02
DAV: 3 -0.142861517469E+04 0.99720E-05 -0.37321E-05 896 0.116E-02
42 F= -.14286152E+04 E0= -.14286313E+04 d E =-.487325E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861536093E+04 -0.17627E-03 -0.64210E-02 896 0.421E-01 0.514E-02
DAV: 2 -0.142861548253E+04 -0.12160E-03 -0.14764E-03 1000 0.563E-02 0.340E-02
DAV: 3 -0.142861547330E+04 0.92360E-05 -0.33320E-05 896 0.112E-02
43 F= -.14286155E+04 E0= -.14286317E+04 d E =-.298611E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861543948E+04 0.43052E-04 -0.12509E-01 896 0.587E-01 0.780E-02
DAV: 2 -0.142861564951E+04 -0.21003E-03 -0.26673E-03 1016 0.759E-02 0.501E-02
DAV: 3 -0.142861563441E+04 0.15102E-04 -0.73962E-05 1072 0.161E-02 0.284E-02
DAV: 4 -0.142861563409E+04 0.32304E-06 -0.29218E-05 800 0.115E-02
44 F= -.14286156E+04 E0= -.14286319E+04 d E =-.459399E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861581731E+04 -0.18290E-03 -0.75106E-02 896 0.454E-01 0.581E-02
DAV: 2 -0.142861594579E+04 -0.12848E-03 -0.15908E-03 992 0.585E-02 0.384E-02
DAV: 3 -0.142861593684E+04 0.89574E-05 -0.37705E-05 920 0.129E-02
45 F= -.14286159E+04 E0= -.14286322E+04 d E =-.302750E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861524034E+04 0.70546E-03 -0.59155E-01 896 0.127E+00 0.163E-01
DAV: 2 -0.142861621065E+04 -0.97032E-03 -0.12242E-02 992 0.162E-01 0.109E-01
DAV: 3 -0.142861614168E+04 0.68972E-04 -0.31401E-04 1088 0.353E-02 0.634E-02
DAV: 4 -0.142861614304E+04 -0.13564E-05 -0.15933E-04 1016 0.256E-02 0.174E-02
DAV: 5 -0.142861614333E+04 -0.28942E-06 -0.27117E-05 728 0.117E-02
46 F= -.14286161E+04 E0= -.14286324E+04 d E =-.509241E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861609538E+04 0.47656E-04 -0.58767E-02 896 0.402E-01 0.500E-02
DAV: 2 -0.142861618850E+04 -0.93114E-04 -0.12161E-03 984 0.514E-02 0.341E-02
DAV: 3 -0.142861618022E+04 0.82772E-05 -0.30741E-05 864 0.112E-02
47 F= -.14286162E+04 E0= -.14286325E+04 d E =-.546132E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861635497E+04 -0.16647E-03 -0.10159E-01 896 0.527E-01 0.640E-02
DAV: 2 -0.142861653621E+04 -0.18124E-03 -0.22189E-03 992 0.687E-02 0.422E-02
DAV: 3 -0.142861652328E+04 0.12930E-04 -0.48715E-05 952 0.140E-02 0.252E-02
DAV: 4 -0.142861652207E+04 0.12089E-05 -0.24889E-05 704 0.107E-02
48 F= -.14286165E+04 E0= -.14286328E+04 d E =-.341849E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861640282E+04 0.12045E-03 -0.25140E-01 896 0.828E-01 0.106E-01
DAV: 2 -0.142861683076E+04 -0.42794E-03 -0.53284E-03 1000 0.107E-01 0.685E-02
DAV: 3 -0.142861680293E+04 0.27831E-04 -0.12746E-04 1080 0.222E-02 0.399E-02
DAV: 4 -0.142861680379E+04 -0.85869E-06 -0.63179E-05 1000 0.167E-02
49 F= -.14286168E+04 E0= -.14286330E+04 d E =-.623573E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861704909E+04 -0.24616E-03 -0.89574E-02 896 0.495E-01 0.661E-02
DAV: 2 -0.142861720545E+04 -0.15636E-03 -0.19707E-03 1008 0.655E-02 0.426E-02
DAV: 3 -0.142861719397E+04 0.11480E-04 -0.50628E-05 968 0.144E-02 0.252E-02
DAV: 4 -0.142861719396E+04 0.11300E-07 -0.28126E-05 728 0.109E-02
50 F= -.14286172E+04 E0= -.14286334E+04 d E =-.390169E-03