Stage_1/0.005_+e3 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 0.395720572718E+04 0.39572E+04 -0.29018E+05 890 0.112E+03
DAV: 2 -0.105160620304E+04 -0.50088E+04 -0.48320E+04 1132 0.299E+02
DAV: 3 -0.152529089272E+04 -0.47368E+03 -0.46865E+03 1020 0.972E+01
DAV: 4 -0.153752763137E+04 -0.12237E+02 -0.12181E+02 1092 0.167E+01
DAV: 5 -0.153791206798E+04 -0.38444E+00 -0.38378E+00 1108 0.278E+00 0.624E+01
DAV: 6 -0.144820584302E+04 0.89706E+02 -0.17401E+02 996 0.198E+01 0.340E+01
DAV: 7 -0.143045941478E+04 0.17746E+02 -0.47829E+01 1052 0.114E+01 0.159E+01
DAV: 8 -0.142862283594E+04 0.18366E+01 -0.10665E+01 1036 0.501E+00 0.579E+00
DAV: 9 -0.142857067794E+04 0.52158E-01 -0.13517E+00 1052 0.239E+00 0.200E+00
DAV: 10 -0.142856623561E+04 0.44423E-02 -0.35288E-01 980 0.115E+00 0.744E-01
DAV: 11 -0.142857257006E+04 -0.63345E-02 -0.89304E-02 1012 0.517E-01 0.408E-01
DAV: 12 -0.142857347693E+04 -0.90687E-03 -0.12795E-02 996 0.251E-01 0.234E-01
DAV: 13 -0.142857254013E+04 0.93680E-03 -0.63753E-03 964 0.216E-01 0.112E-01
DAV: 14 -0.142857086618E+04 0.16739E-02 -0.33804E-03 1060 0.156E-01 0.689E-02
DAV: 15 -0.142857030625E+04 0.55993E-03 -0.14308E-03 1028 0.881E-02 0.422E-02
DAV: 16 -0.142857012348E+04 0.18277E-03 -0.24702E-04 1044 0.393E-02 0.254E-02
DAV: 17 -0.142857004612E+04 0.77365E-04 -0.40225E-05 1004 0.271E-02 0.127E-02
DAV: 18 -0.142857001400E+04 0.32116E-04 -0.25051E-05 908 0.242E-02 0.719E-03
DAV: 19 -0.142857000326E+04 0.10736E-04 -0.38454E-05 1012 0.188E-02 0.569E-03
DAV: 20 -0.142856999979E+04 0.34699E-05 -0.15452E-05 740 0.968E-03
1 F= -.14285700E+04 E0= -.14285866E+04 d E =-.142857E+04
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142840318177E+04 0.16682E+00 -0.20111E+01 900 0.752E+00 0.130E+00
DAV: 2 -0.142845417465E+04 -0.50993E-01 -0.72381E-01 1100 0.123E+00 0.796E-01
DAV: 3 -0.142844465385E+04 0.95208E-02 -0.23224E-02 1036 0.296E-01 0.472E-01
DAV: 4 -0.142844225313E+04 0.24007E-02 -0.12627E-02 1028 0.218E-01 0.170E-01
DAV: 5 -0.142844226346E+04 -0.10337E-04 -0.27828E-03 1060 0.103E-01 0.856E-02
DAV: 6 -0.142844224498E+04 0.18482E-04 -0.51225E-04 1012 0.417E-02 0.403E-02
DAV: 7 -0.142844221728E+04 0.27705E-04 -0.10091E-04 996 0.193E-02 0.204E-02
DAV: 8 -0.142844221081E+04 0.64678E-05 -0.27169E-05 820 0.112E-02
2 F= -.14284422E+04 E0= -.14284585E+04 d E =0.127789E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142855999556E+04 -0.11778E+00 -0.11670E+01 900 0.570E+00 0.991E-01
DAV: 2 -0.142859022381E+04 -0.30228E-01 -0.43572E-01 1084 0.955E-01 0.614E-01
DAV: 3 -0.142858475043E+04 0.54734E-02 -0.13679E-02 1036 0.226E-01 0.380E-01
DAV: 4 -0.142858330380E+04 0.14466E-02 -0.78049E-03 1028 0.168E-01 0.143E-01
DAV: 5 -0.142858329612E+04 0.76771E-05 -0.16460E-03 1044 0.804E-02 0.689E-02
DAV: 6 -0.142858328491E+04 0.11204E-04 -0.34171E-04 1012 0.342E-02 0.313E-02
DAV: 7 -0.142858326749E+04 0.17428E-04 -0.64929E-05 988 0.156E-02 0.165E-02
DAV: 8 -0.142858326236E+04 0.51276E-05 -0.15311E-05 652 0.831E-03
3 F= -.14285833E+04 E0= -.14285996E+04 d E =-.132626E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142858875397E+04 -0.54865E-02 -0.47233E+00 900 0.374E+00 0.590E-01
DAV: 2 -0.142859848295E+04 -0.97290E-02 -0.13288E-01 1028 0.556E-01 0.403E-01
DAV: 3 -0.142859684994E+04 0.16330E-02 -0.49833E-03 1036 0.151E-01 0.253E-01
DAV: 4 -0.142859657311E+04 0.27682E-03 -0.39150E-03 988 0.112E-01 0.913E-02
DAV: 5 -0.142859658063E+04 -0.75188E-05 -0.53683E-04 1068 0.473E-02 0.459E-02
DAV: 6 -0.142859657836E+04 0.22765E-05 -0.13146E-04 1044 0.217E-02 0.244E-02
DAV: 7 -0.142859657368E+04 0.46734E-05 -0.25504E-05 748 0.105E-02
4 F= -.14285966E+04 E0= -.14286132E+04 d E =-.133113E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142859791841E+04 -0.13401E-02 -0.31332E-01 900 0.964E-01 0.152E-01
DAV: 2 -0.142859853592E+04 -0.61751E-03 -0.87749E-03 1020 0.143E-01 0.104E-01
DAV: 3 -0.142859842427E+04 0.11164E-03 -0.32752E-04 1028 0.389E-02 0.654E-02
DAV: 4 -0.142859840527E+04 0.19001E-04 -0.26396E-04 1012 0.292E-02 0.239E-02
DAV: 5 -0.142859840479E+04 0.48061E-06 -0.34473E-05 804 0.121E-02
5 F= -.14285984E+04 E0= -.14286150E+04 d E =-.151424E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142859116547E+04 0.72398E-02 -0.35251E+00 900 0.320E+00 0.496E-01
DAV: 2 -0.142859774097E+04 -0.65755E-02 -0.96840E-02 1052 0.458E-01 0.291E-01
DAV: 3 -0.142859670588E+04 0.10351E-02 -0.31925E-03 1036 0.113E-01 0.172E-01
DAV: 4 -0.142859656253E+04 0.14334E-03 -0.20410E-03 1028 0.807E-02 0.628E-02
DAV: 5 -0.142859656389E+04 -0.13588E-05 -0.30105E-04 1012 0.337E-02 0.296E-02
DAV: 6 -0.142859656282E+04 0.10780E-05 -0.59282E-05 1004 0.140E-02
6 F= -.14285966E+04 E0= -.14286133E+04 d E =0.184198E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142860266510E+04 -0.61012E-02 -0.99773E-01 900 0.170E+00 0.264E-01
DAV: 2 -0.142860450112E+04 -0.18360E-02 -0.27866E-02 1052 0.246E-01 0.155E-01
DAV: 3 -0.142860419892E+04 0.30220E-03 -0.90599E-04 1044 0.604E-02 0.929E-02
DAV: 4 -0.142860415754E+04 0.41386E-04 -0.60656E-04 1020 0.437E-02 0.346E-02
DAV: 5 -0.142860415853E+04 -0.99755E-06 -0.88132E-05 988 0.183E-02
7 F= -.14286042E+04 E0= -.14286208E+04 d E =-.575374E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142860560865E+04 -0.14511E-02 -0.37024E-01 900 0.105E+00 0.142E-01
DAV: 2 -0.142860631860E+04 -0.70995E-03 -0.96139E-03 1044 0.151E-01 0.904E-02
DAV: 3 -0.142860624606E+04 0.72542E-04 -0.39111E-04 1052 0.357E-02 0.537E-02
DAV: 4 -0.142860622584E+04 0.20217E-04 -0.11313E-04 1020 0.215E-02 0.190E-02
DAV: 5 -0.142860622546E+04 0.38376E-06 -0.19977E-05 668 0.101E-02
8 F= -.14286062E+04 E0= -.14286229E+04 d E =-.206693E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142860623525E+04 -0.94030E-05 -0.19116E-03 900 0.752E-02 0.104E-02
DAV: 2 -0.142860623741E+04 -0.21630E-05 -0.46839E-05 836 0.111E-02
9 F= -.14286062E+04 E0= -.14286229E+04 d E =-.207888E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142860756615E+04 -0.13309E-02 -0.32408E-01 900 0.977E-01 0.126E-01
DAV: 2 -0.142860813534E+04 -0.56919E-03 -0.73233E-03 1060 0.130E-01 0.818E-02
DAV: 3 -0.142860808897E+04 0.46371E-04 -0.23944E-04 1060 0.303E-02 0.502E-02
DAV: 4 -0.142860807805E+04 0.10919E-04 -0.10427E-04 988 0.195E-02 0.167E-02
DAV: 5 -0.142860807836E+04 -0.31085E-06 -0.17489E-05 612 0.977E-03
10 F= -.14286081E+04 E0= -.14286248E+04 d E =-.184095E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142860812216E+04 -0.44102E-04 -0.19450E-02 900 0.239E-01 0.322E-02
DAV: 2 -0.142860815831E+04 -0.36154E-04 -0.44692E-04 1060 0.319E-02 0.203E-02
DAV: 3 -0.142860815576E+04 0.25508E-05 -0.11893E-05 564 0.747E-03
11 F= -.14286082E+04 E0= -.14286249E+04 d E =-.191835E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142860903246E+04 -0.87415E-03 -0.25925E-01 900 0.873E-01 0.115E-01
DAV: 2 -0.142860955489E+04 -0.52243E-03 -0.63780E-03 1044 0.120E-01 0.713E-02
DAV: 3 -0.142860952264E+04 0.32251E-04 -0.19145E-04 1044 0.267E-02 0.439E-02
DAV: 4 -0.142860951778E+04 0.48554E-05 -0.73825E-05 1004 0.186E-02
12 F= -.14286095E+04 E0= -.14286264E+04 d E =-.136203E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142860956004E+04 -0.37404E-04 -0.20352E-02 900 0.245E-01 0.364E-02
DAV: 2 -0.142860959981E+04 -0.39768E-04 -0.50222E-04 1052 0.341E-02 0.214E-02
DAV: 3 -0.142860959721E+04 0.25962E-05 -0.14609E-05 612 0.820E-03
13 F= -.14286096E+04 E0= -.14286264E+04 d E =-.144146E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861033550E+04 -0.73569E-03 -0.12910E-01 900 0.612E-01 0.820E-02
DAV: 2 -0.142861056712E+04 -0.23162E-03 -0.29891E-03 1020 0.834E-02 0.516E-02
DAV: 3 -0.142861055018E+04 0.16942E-04 -0.89987E-05 1068 0.190E-02 0.312E-02
DAV: 4 -0.142861054838E+04 0.17991E-05 -0.43776E-05 948 0.135E-02
14 F= -.14286105E+04 E0= -.14286274E+04 d E =-.951164E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861066104E+04 -0.11086E-03 -0.67706E-02 900 0.443E-01 0.609E-02
DAV: 2 -0.142861078476E+04 -0.12373E-03 -0.15921E-03 1020 0.613E-02 0.377E-02
DAV: 3 -0.142861077588E+04 0.88789E-05 -0.46967E-05 956 0.144E-02
15 F= -.14286108E+04 E0= -.14286276E+04 d E =-.117867E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861143509E+04 -0.65032E-03 -0.15318E-01 900 0.662E-01 0.894E-02
DAV: 2 -0.142861168799E+04 -0.25291E-03 -0.33173E-03 1020 0.870E-02 0.548E-02
DAV: 3 -0.142861167348E+04 0.14512E-04 -0.10429E-04 1052 0.190E-02 0.321E-02
DAV: 4 -0.142861167233E+04 0.11511E-05 -0.39948E-05 908 0.138E-02
16 F= -.14286117E+04 E0= -.14286285E+04 d E =-.896447E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861177214E+04 -0.98656E-04 -0.79298E-02 890 0.476E-01 0.644E-02
DAV: 2 -0.142861190776E+04 -0.13563E-03 -0.17611E-03 1028 0.637E-02 0.385E-02
DAV: 3 -0.142861190026E+04 0.75005E-05 -0.52491E-05 983 0.142E-02
17 F= -.14286119E+04 E0= -.14286287E+04 d E =-.112438E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861247615E+04 -0.56839E-03 -0.12259E-01 890 0.590E-01 0.815E-02
DAV: 2 -0.142861268272E+04 -0.20656E-03 -0.26887E-03 1020 0.778E-02 0.499E-02
DAV: 3 -0.142861267002E+04 0.12701E-04 -0.81187E-05 1047 0.172E-02 0.289E-02
DAV: 4 -0.142861266849E+04 0.15285E-05 -0.33998E-05 804 0.129E-02
18 F= -.14286127E+04 E0= -.14286295E+04 d E =-.768226E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861277326E+04 -0.10324E-03 -0.12574E-01 890 0.598E-01 0.804E-02
DAV: 2 -0.142861299741E+04 -0.22415E-03 -0.28432E-03 1020 0.802E-02 0.484E-02
DAV: 3 -0.142861298403E+04 0.13384E-04 -0.78801E-05 1044 0.177E-02 0.293E-02
DAV: 4 -0.142861298203E+04 0.20021E-05 -0.36096E-05 868 0.134E-02
19 F= -.14286130E+04 E0= -.14286299E+04 d E =-.108177E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861354193E+04 -0.55790E-03 -0.15502E-01 890 0.662E-01 0.887E-02
DAV: 2 -0.142861380739E+04 -0.26547E-03 -0.33824E-03 1012 0.875E-02 0.550E-02
DAV: 3 -0.142861379057E+04 0.16824E-04 -0.99717E-05 1060 0.193E-02 0.327E-02
DAV: 4 -0.142861378849E+04 0.20806E-05 -0.43635E-05 932 0.138E-02
20 F= -.14286138E+04 E0= -.14286307E+04 d E =-.806461E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861395563E+04 -0.16506E-03 -0.50098E-02 900 0.376E-01 0.517E-02
DAV: 2 -0.142861404241E+04 -0.86778E-04 -0.10996E-03 1012 0.499E-02 0.315E-02
DAV: 3 -0.142861403698E+04 0.54277E-05 -0.29731E-05 788 0.111E-02
21 F= -.14286140E+04 E0= -.14286309E+04 d E =-.105495E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861377251E+04 0.26990E-03 -0.19872E-01 890 0.750E-01 0.101E-01
DAV: 2 -0.142861410050E+04 -0.32799E-03 -0.42244E-03 1012 0.977E-02 0.635E-02
DAV: 3 -0.142861407909E+04 0.21409E-04 -0.12976E-04 1060 0.217E-02 0.370E-02
DAV: 4 -0.142861407648E+04 0.26031E-05 -0.53746E-05 988 0.152E-02
22 F= -.14286141E+04 E0= -.14286309E+04 d E =-.109446E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861405897E+04 0.20115E-04 -0.47744E-02 890 0.368E-01 0.459E-02
DAV: 2 -0.142861413923E+04 -0.80252E-04 -0.10327E-03 988 0.482E-02 0.302E-02
DAV: 3 -0.142861413295E+04 0.62800E-05 -0.28410E-05 804 0.105E-02
23 F= -.14286141E+04 E0= -.14286310E+04 d E =-.115092E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861457949E+04 -0.44026E-03 -0.12003E-01 890 0.583E-01 0.727E-02
DAV: 2 -0.142861479204E+04 -0.21255E-03 -0.26335E-03 988 0.771E-02 0.473E-02
DAV: 3 -0.142861477708E+04 0.14963E-04 -0.64689E-05 1044 0.166E-02 0.289E-02
DAV: 4 -0.142861477448E+04 0.26009E-05 -0.34328E-05 828 0.124E-02
24 F= -.14286148E+04 E0= -.14286317E+04 d E =-.641533E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861477152E+04 0.55552E-05 -0.31262E-01 890 0.940E-01 0.124E-01
DAV: 2 -0.142861529763E+04 -0.52611E-03 -0.66954E-03 1004 0.123E-01 0.788E-02
DAV: 3 -0.142861526257E+04 0.35066E-04 -0.17320E-04 1052 0.270E-02 0.473E-02
DAV: 4 -0.142861525999E+04 0.25765E-05 -0.91271E-05 996 0.200E-02
25 F= -.14286153E+04 E0= -.14286321E+04 d E =-.112704E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861581053E+04 -0.54797E-03 -0.10730E-01 890 0.551E-01 0.750E-02
DAV: 2 -0.142861598538E+04 -0.17484E-03 -0.23036E-03 1036 0.728E-02 0.474E-02
DAV: 3 -0.142861597305E+04 0.12326E-04 -0.66090E-05 1052 0.161E-02 0.281E-02
DAV: 4 -0.142861597261E+04 0.43689E-06 -0.33148E-05 788 0.120E-02
26 F= -.14286160E+04 E0= -.14286329E+04 d E =-.712624E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861602040E+04 -0.47351E-04 -0.24229E-01 890 0.828E-01 0.110E-01
DAV: 2 -0.142861641791E+04 -0.39751E-03 -0.51692E-03 1028 0.109E-01 0.702E-02
DAV: 3 -0.142861638850E+04 0.29418E-04 -0.14266E-04 1060 0.236E-02 0.416E-02
DAV: 4 -0.142861638646E+04 0.20386E-05 -0.75651E-05 988 0.179E-02
27 F= -.14286164E+04 E0= -.14286333E+04 d E =-.112647E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861679324E+04 -0.40475E-03 -0.10121E-01 890 0.535E-01 0.713E-02
DAV: 2 -0.142861696032E+04 -0.16708E-03 -0.21275E-03 996 0.694E-02 0.456E-02
DAV: 3 -0.142861695017E+04 0.10148E-04 -0.58661E-05 1044 0.154E-02 0.272E-02
DAV: 4 -0.142861695032E+04 -0.14741E-06 -0.28791E-05 764 0.114E-02
28 F= -.14286170E+04 E0= -.14286339E+04 d E =-.563864E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861671198E+04 0.23819E-03 -0.44439E-01 890 0.112E+00 0.145E-01
DAV: 2 -0.142861743821E+04 -0.72623E-03 -0.92373E-03 988 0.144E-01 0.945E-02
DAV: 3 -0.142861739059E+04 0.47625E-04 -0.25529E-04 1076 0.312E-02 0.557E-02
DAV: 4 -0.142861738831E+04 0.22757E-05 -0.11995E-04 1020 0.228E-02 0.177E-02
DAV: 5 -0.142861738734E+04 0.96599E-06 -0.21738E-05 676 0.105E-02
29 F= -.14286174E+04 E0= -.14286343E+04 d E =-.100089E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861777388E+04 -0.38557E-03 -0.15956E-01 890 0.670E-01 0.869E-02
DAV: 2 -0.142861804386E+04 -0.26998E-03 -0.33455E-03 988 0.860E-02 0.554E-02
DAV: 3 -0.142861802829E+04 0.15577E-04 -0.83761E-05 1068 0.186E-02 0.329E-02
DAV: 4 -0.142861802836E+04 -0.71734E-07 -0.39542E-05 908 0.137E-02
30 F= -.14286180E+04 E0= -.14286349E+04 d E =-.641013E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861795004E+04 0.78244E-04 -0.30808E-01 890 0.931E-01 0.122E-01
DAV: 2 -0.142861845505E+04 -0.50501E-03 -0.63901E-03 988 0.119E-01 0.775E-02
DAV: 3 -0.142861842473E+04 0.30319E-04 -0.16833E-04 1068 0.260E-02 0.459E-02
DAV: 4 -0.142861842421E+04 0.52094E-06 -0.75379E-05 1028 0.190E-02
31 F= -.14286184E+04 E0= -.14286353E+04 d E =-.103687E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861890208E+04 -0.47734E-03 -0.85142E-02 890 0.492E-01 0.663E-02
DAV: 2 -0.142861904542E+04 -0.14335E-03 -0.18322E-03 1020 0.647E-02 0.419E-02
DAV: 3 -0.142861903516E+04 0.10262E-04 -0.55781E-05 1020 0.143E-02 0.243E-02
DAV: 4 -0.142861903426E+04 0.90030E-06 -0.21687E-05 620 0.104E-02
32 F= -.14286190E+04 E0= -.14286359E+04 d E =-.610051E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861911083E+04 -0.75671E-04 -0.12757E-01 890 0.602E-01 0.792E-02
DAV: 2 -0.142861932512E+04 -0.21429E-03 -0.27292E-03 1020 0.787E-02 0.504E-02
DAV: 3 -0.142861930881E+04 0.16310E-04 -0.79260E-05 1068 0.170E-02 0.294E-02
DAV: 4 -0.142861930701E+04 0.18035E-05 -0.33602E-05 788 0.125E-02
33 F= -.14286193E+04 E0= -.14286361E+04 d E =-.882795E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861964249E+04 -0.33368E-03 -0.10158E-01 890 0.537E-01 0.711E-02
DAV: 2 -0.142861981612E+04 -0.17363E-03 -0.21948E-03 1020 0.705E-02 0.462E-02
DAV: 3 -0.142861980223E+04 0.13887E-04 -0.61344E-05 1028 0.165E-02 0.280E-02
DAV: 4 -0.142861980126E+04 0.97742E-06 -0.32820E-05 812 0.124E-02
34 F= -.14286198E+04 E0= -.14286366E+04 d E =-.494252E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861982991E+04 -0.27671E-04 -0.69722E-02 890 0.445E-01 0.602E-02
DAV: 2 -0.142861994823E+04 -0.11833E-03 -0.15057E-03 1020 0.588E-02 0.386E-02
DAV: 3 -0.142861993906E+04 0.91699E-05 -0.43347E-05 964 0.139E-02
35 F= -.14286199E+04 E0= -.14286367E+04 d E =-.632058E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862029163E+04 -0.34339E-03 -0.79439E-02 890 0.474E-01 0.652E-02
DAV: 2 -0.142862041804E+04 -0.12641E-03 -0.16440E-03 1012 0.609E-02 0.427E-02
DAV: 3 -0.142862040800E+04 0.10039E-04 -0.48790E-05 948 0.141E-02 0.246E-02
DAV: 4 -0.142862040794E+04 0.62028E-07 -0.21604E-05 636 0.103E-02
36 F= -.14286204E+04 E0= -.14286372E+04 d E =-.468874E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862045754E+04 -0.49537E-04 -0.78358E-02 890 0.470E-01 0.626E-02
DAV: 2 -0.142862059035E+04 -0.13281E-03 -0.16783E-03 1012 0.621E-02 0.408E-02
DAV: 3 -0.142862058035E+04 0.99989E-05 -0.46956E-05 948 0.145E-02
37 F= -.14286206E+04 E0= -.14286373E+04 d E =-.641285E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862092537E+04 -0.33502E-03 -0.96514E-02 890 0.521E-01 0.713E-02
DAV: 2 -0.142862107297E+04 -0.14760E-03 -0.19479E-03 1004 0.664E-02 0.459E-02
DAV: 3 -0.142862106310E+04 0.98757E-05 -0.63581E-05 1036 0.149E-02
38 F= -.14286211E+04 E0= -.14286378E+04 d E =-.482748E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862109253E+04 -0.19555E-04 -0.10099E-01 890 0.532E-01 0.721E-02
DAV: 2 -0.142862124786E+04 -0.15533E-03 -0.20154E-03 1004 0.671E-02 0.462E-02
DAV: 3 -0.142862123795E+04 0.99066E-05 -0.63493E-05 1004 0.147E-02
39 F= -.14286212E+04 E0= -.14286379E+04 d E =-.657600E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862151697E+04 -0.26912E-03 -0.12499E-01 890 0.593E-01 0.786E-02
DAV: 2 -0.142862171972E+04 -0.20275E-03 -0.25715E-03 1004 0.749E-02 0.508E-02
DAV: 3 -0.142862170762E+04 0.12107E-04 -0.72732E-05 1052 0.160E-02 0.288E-02
DAV: 4 -0.142862170767E+04 -0.53144E-07 -0.27539E-05 764 0.112E-02
40 F= -.14286217E+04 E0= -.14286384E+04 d E =-.469720E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862172450E+04 -0.16888E-04 -0.75505E-02 890 0.461E-01 0.598E-02
DAV: 2 -0.142862185501E+04 -0.13051E-03 -0.16096E-03 1004 0.594E-02 0.384E-02
DAV: 3 -0.142862184729E+04 0.77252E-05 -0.40059E-05 908 0.126E-02
41 F= -.14286218E+04 E0= -.14286385E+04 d E =-.609341E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862213064E+04 -0.27562E-03 -0.16637E-01 890 0.685E-01 0.901E-02
DAV: 2 -0.142862241044E+04 -0.27980E-03 -0.35156E-03 996 0.876E-02 0.579E-02
DAV: 3 -0.142862239226E+04 0.18187E-04 -0.97829E-05 1060 0.190E-02 0.333E-02
DAV: 4 -0.142862239122E+04 0.10340E-05 -0.38838E-05 908 0.135E-02
42 F= -.14286224E+04 E0= -.14286390E+04 d E =-.543933E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862241104E+04 -0.18784E-04 -0.60054E-02 890 0.411E-01 0.550E-02
DAV: 2 -0.142862251659E+04 -0.10555E-03 -0.13106E-03 996 0.538E-02 0.346E-02
DAV: 3 -0.142862250995E+04 0.66321E-05 -0.34503E-05 868 0.120E-02
43 F= -.14286225E+04 E0= -.14286391E+04 d E =-.662666E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862270996E+04 -0.19338E-03 -0.19504E-01 890 0.741E-01 0.966E-02
DAV: 2 -0.142862303531E+04 -0.32534E-03 -0.41085E-03 988 0.946E-02 0.624E-02
DAV: 3 -0.142862301377E+04 0.21536E-04 -0.11728E-04 1076 0.206E-02 0.356E-02
DAV: 4 -0.142862301243E+04 0.13466E-05 -0.43660E-05 916 0.148E-02
44 F= -.14286230E+04 E0= -.14286395E+04 d E =-.502471E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862303039E+04 -0.16616E-04 -0.23732E-02 890 0.258E-01 0.351E-02
DAV: 2 -0.142862307160E+04 -0.41211E-04 -0.51692E-04 1004 0.337E-02 0.217E-02
DAV: 3 -0.142862306892E+04 0.26828E-05 -0.12422E-05 628 0.757E-03
45 F= -.14286231E+04 E0= -.14286395E+04 d E =-.558962E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862328527E+04 -0.21367E-03 -0.16346E-01 890 0.677E-01 0.873E-02
DAV: 2 -0.142862356132E+04 -0.27605E-03 -0.34751E-03 1004 0.872E-02 0.561E-02
DAV: 3 -0.142862354337E+04 0.17950E-04 -0.94183E-05 1060 0.186E-02 0.328E-02
DAV: 4 -0.142862354321E+04 0.15670E-06 -0.42502E-05 916 0.136E-02
46 F= -.14286235E+04 E0= -.14286400E+04 d E =-.474294E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862356939E+04 -0.26018E-04 -0.59249E-02 890 0.407E-01 0.539E-02
DAV: 2 -0.142862367308E+04 -0.10370E-03 -0.12917E-03 1004 0.534E-02 0.339E-02
DAV: 3 -0.142862366670E+04 0.63830E-05 -0.32169E-05 820 0.116E-02
47 F= -.14286237E+04 E0= -.14286401E+04 d E =-.597783E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862388581E+04 -0.21273E-03 -0.16106E-01 890 0.671E-01 0.886E-02
DAV: 2 -0.142862415370E+04 -0.26788E-03 -0.34198E-03 988 0.864E-02 0.570E-02
DAV: 3 -0.142862413552E+04 0.18174E-04 -0.94117E-05 1060 0.186E-02 0.330E-02
DAV: 4 -0.142862413607E+04 -0.54152E-06 -0.44260E-05 924 0.138E-02
48 F= -.14286241E+04 E0= -.14286406E+04 d E =-.469365E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862416143E+04 -0.25909E-04 -0.40362E-02 890 0.335E-01 0.451E-02
DAV: 2 -0.142862423282E+04 -0.71390E-04 -0.89118E-04 996 0.443E-02 0.283E-02
DAV: 3 -0.142862422835E+04 0.44698E-05 -0.20759E-05 716 0.953E-03
49 F= -.14286242E+04 E0= -.14286407E+04 d E =-.561653E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862435520E+04 -0.12238E-03 -0.18793E-01 890 0.724E-01 0.925E-02
DAV: 2 -0.142862467602E+04 -0.32082E-03 -0.40070E-03 996 0.929E-02 0.612E-02
DAV: 3 -0.142862465360E+04 0.22414E-04 -0.10433E-04 1060 0.196E-02 0.353E-02
DAV: 4 -0.142862465307E+04 0.53928E-06 -0.46479E-05 924 0.139E-02
50 F= -.14286247E+04 E0= -.14286411E+04 d E =-.424712E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862466937E+04 -0.15762E-04 -0.12600E-02 890 0.187E-01 0.252E-02
DAV: 2 -0.142862469257E+04 -0.23206E-04 -0.27950E-04 1004 0.247E-02 0.160E-02
DAV: 3 -0.142862469113E+04 0.14378E-05 -0.56947E-06 540 0.538E-03
51 F= -.14286247E+04 E0= -.14286411E+04 d E =-.462781E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862460282E+04 0.89749E-04 -0.49416E-02 890 0.371E-01 0.476E-02
DAV: 2 -0.142862468684E+04 -0.84019E-04 -0.10478E-03 996 0.475E-02 0.314E-02
DAV: 3 -0.142862468080E+04 0.60398E-05 -0.24630E-05 780 0.100E-02
52 F= -.14286247E+04 E0= -.14286410E+04 d E =-.452449E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862467274E+04 0.14105E-04 -0.16536E-02 890 0.215E-01 0.249E-02
DAV: 2 -0.142862470432E+04 -0.31583E-04 -0.38899E-04 964 0.290E-02 0.174E-02
DAV: 3 -0.142862470150E+04 0.28169E-05 -0.76482E-06 556 0.585E-03
53 F= -.14286247E+04 E0= -.14286411E+04 d E =-.473150E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862480445E+04 -0.10013E-03 -0.11543E-01 890 0.564E-01 0.680E-02
DAV: 2 -0.142862500814E+04 -0.20369E-03 -0.24653E-03 964 0.720E-02 0.453E-02
DAV: 3 -0.142862499478E+04 0.13353E-04 -0.52820E-05 996 0.139E-02 0.265E-02
DAV: 4 -0.142862499409E+04 0.68871E-06 -0.26575E-05 772 0.107E-02
54 F= -.14286250E+04 E0= -.14286413E+04 d E =-.292591E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862489971E+04 0.95072E-04 -0.19107E-01 890 0.725E-01 0.903E-02
DAV: 2 -0.142862523076E+04 -0.33105E-03 -0.40202E-03 980 0.920E-02 0.591E-02
DAV: 3 -0.142862521052E+04 0.20242E-04 -0.88042E-05 1068 0.181E-02 0.342E-02
DAV: 4 -0.142862521111E+04 -0.59278E-06 -0.43188E-05 916 0.133E-02
55 F= -.14286252E+04 E0= -.14286415E+04 d E =-.509610E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862547831E+04 -0.26779E-03 -0.46960E-02 890 0.365E-01 0.475E-02
DAV: 2 -0.142862556518E+04 -0.86872E-04 -0.10886E-03 1020 0.496E-02 0.313E-02
DAV: 3 -0.142862555809E+04 0.70933E-05 -0.31725E-05 828 0.110E-02
56 F= -.14286256E+04 E0= -.14286419E+04 d E =-.346974E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862557775E+04 -0.12568E-04 -0.36430E-02 890 0.322E-01 0.443E-02
DAV: 2 -0.142862563809E+04 -0.60341E-04 -0.79662E-04 1020 0.426E-02 0.291E-02
DAV: 3 -0.142862563262E+04 0.54701E-05 -0.26087E-05 772 0.988E-03
57 F= -.14286256E+04 E0= -.14286420E+04 d E =-.421506E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862577536E+04 -0.13727E-03 -0.41139E-02 890 0.340E-01 0.443E-02
DAV: 2 -0.142862584357E+04 -0.68205E-04 -0.86714E-04 1012 0.438E-02 0.290E-02
DAV: 3 -0.142862583847E+04 0.50933E-05 -0.22765E-05 772 0.957E-03
58 F= -.14286258E+04 E0= -.14286422E+04 d E =-.205853E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862582825E+04 0.15319E-04 -0.60510E-02 890 0.412E-01 0.535E-02
DAV: 2 -0.142862592801E+04 -0.99760E-04 -0.12683E-03 1012 0.529E-02 0.350E-02
DAV: 3 -0.142862592072E+04 0.72872E-05 -0.34723E-05 868 0.115E-02
59 F= -.14286259E+04 E0= -.14286423E+04 d E =-.288100E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862614880E+04 -0.22080E-03 -0.37780E-02 890 0.325E-01 0.428E-02
DAV: 2 -0.142862621028E+04 -0.61481E-04 -0.80469E-04 1028 0.427E-02 0.285E-02
DAV: 3 -0.142862620488E+04 0.54095E-05 -0.23261E-05 740 0.969E-03
60 F= -.14286262E+04 E0= -.14286426E+04 d E =-.284156E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862623434E+04 -0.24050E-04 -0.34060E-02 890 0.309E-01 0.408E-02
DAV: 2 -0.142862628963E+04 -0.55299E-04 -0.71774E-04 1036 0.401E-02 0.271E-02
DAV: 3 -0.142862628466E+04 0.49761E-05 -0.19395E-05 708 0.888E-03
61 F= -.14286263E+04 E0= -.14286426E+04 d E =-.363939E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862647057E+04 -0.18094E-03 -0.54348E-02 890 0.389E-01 0.508E-02
DAV: 2 -0.142862656680E+04 -0.96229E-04 -0.12030E-03 996 0.514E-02 0.333E-02
DAV: 3 -0.142862655897E+04 0.78319E-05 -0.32940E-05 852 0.115E-02
62 F= -.14286266E+04 E0= -.14286428E+04 d E =-.274312E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862656624E+04 0.56746E-06 -0.35686E-02 890 0.315E-01 0.433E-02
DAV: 2 -0.142862662603E+04 -0.59794E-04 -0.76358E-04 1012 0.409E-02 0.281E-02
DAV: 3 -0.142862662104E+04 0.49932E-05 -0.21263E-05 756 0.919E-03
63 F= -.14286266E+04 E0= -.14286429E+04 d E =-.336378E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862679872E+04 -0.17269E-03 -0.56717E-02 890 0.398E-01 0.515E-02
DAV: 2 -0.142862689728E+04 -0.98565E-04 -0.12385E-03 1012 0.525E-02 0.341E-02
DAV: 3 -0.142862688979E+04 0.74956E-05 -0.31635E-05 836 0.114E-02
64 F= -.14286269E+04 E0= -.14286432E+04 d E =-.268753E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862688655E+04 0.10736E-04 -0.46884E-02 890 0.362E-01 0.483E-02
DAV: 2 -0.142862696428E+04 -0.77734E-04 -0.99583E-04 1020 0.470E-02 0.319E-02
DAV: 3 -0.142862695829E+04 0.59919E-05 -0.26125E-05 780 0.103E-02
65 F= -.14286270E+04 E0= -.14286433E+04 d E =-.337254E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862714069E+04 -0.17640E-03 -0.64169E-02 890 0.423E-01 0.547E-02
DAV: 2 -0.142862724925E+04 -0.10856E-03 -0.13760E-03 996 0.556E-02 0.357E-02
DAV: 3 -0.142862724190E+04 0.73491E-05 -0.36490E-05 884 0.122E-02
66 F= -.14286272E+04 E0= -.14286436E+04 d E =-.283611E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862718446E+04 0.64788E-04 -0.12048E-01 890 0.580E-01 0.760E-02
DAV: 2 -0.142862738672E+04 -0.20226E-03 -0.25740E-03 996 0.757E-02 0.498E-02
DAV: 3 -0.142862737276E+04 0.13964E-04 -0.68979E-05 1044 0.162E-02 0.289E-02
DAV: 4 -0.142862737365E+04 -0.89227E-06 -0.29588E-05 780 0.118E-02
67 F= -.14286274E+04 E0= -.14286437E+04 d E =-.415362E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862755073E+04 -0.17797E-03 -0.55081E-02 890 0.390E-01 0.503E-02
DAV: 2 -0.142862764968E+04 -0.98952E-04 -0.12162E-03 988 0.514E-02 0.323E-02
DAV: 3 -0.142862764336E+04 0.63173E-05 -0.26765E-05 820 0.105E-02
68 F= -.14286276E+04 E0= -.14286440E+04 d E =-.269710E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862721067E+04 0.43901E-03 -0.38878E-01 890 0.104E+00 0.132E-01
DAV: 2 -0.142862788401E+04 -0.67333E-03 -0.84064E-03 988 0.135E-01 0.859E-02
DAV: 3 -0.142862783736E+04 0.46646E-04 -0.20244E-04 1076 0.273E-02 0.495E-02
DAV: 4 -0.142862783599E+04 0.13738E-05 -0.93207E-05 1020 0.204E-02
69 F= -.14286278E+04 E0= -.14286441E+04 d E =-.462333E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862777867E+04 0.58687E-04 -0.49445E-02 890 0.370E-01 0.437E-02
DAV: 2 -0.142862786412E+04 -0.85445E-04 -0.10888E-03 972 0.484E-02 0.301E-02
DAV: 3 -0.142862785626E+04 0.78526E-05 -0.23524E-05 788 0.942E-03
70 F= -.14286279E+04 E0= -.14286441E+04 d E =-.482612E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862807352E+04 -0.20940E-03 -0.68751E-02 890 0.438E-01 0.526E-02
DAV: 2 -0.142862819975E+04 -0.12623E-03 -0.15586E-03 1004 0.587E-02 0.357E-02
DAV: 3 -0.142862818937E+04 0.10379E-04 -0.37144E-05 908 0.121E-02 0.215E-02
DAV: 4 -0.142862818756E+04 0.18104E-05 -0.18230E-05 588 0.932E-03
71 F= -.14286282E+04 E0= -.14286445E+04 d E =-.331294E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862820380E+04 -0.14430E-04 -0.77157E-02 890 0.463E-01 0.588E-02
DAV: 2 -0.142862833890E+04 -0.13510E-03 -0.16820E-03 1012 0.611E-02 0.387E-02
DAV: 3 -0.142862832897E+04 0.99305E-05 -0.42825E-05 940 0.129E-02
72 F= -.14286283E+04 E0= -.14286446E+04 d E =-.472705E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862851315E+04 -0.17425E-03 -0.74000E-02 890 0.453E-01 0.599E-02
DAV: 2 -0.142862862972E+04 -0.11657E-03 -0.15204E-03 1020 0.589E-02 0.396E-02
DAV: 3 -0.142862862033E+04 0.93918E-05 -0.44379E-05 964 0.138E-02
73 F= -.14286286E+04 E0= -.14286449E+04 d E =-.291360E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862857869E+04 0.51027E-04 -0.95818E-02 890 0.516E-01 0.679E-02
DAV: 2 -0.142862873230E+04 -0.15361E-03 -0.19649E-03 1020 0.659E-02 0.450E-02
DAV: 3 -0.142862872024E+04 0.12061E-04 -0.51663E-05 972 0.144E-02 0.256E-02
DAV: 4 -0.142862872064E+04 -0.40146E-06 -0.23902E-05 708 0.107E-02
74 F= -.14286287E+04 E0= -.14286450E+04 d E =-.391670E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862885151E+04 -0.13127E-03 -0.43003E-02 890 0.344E-01 0.440E-02
DAV: 2 -0.142862892566E+04 -0.74150E-04 -0.90883E-04 956 0.446E-02 0.284E-02
DAV: 3 -0.142862892102E+04 0.46357E-05 -0.19711E-05 772 0.928E-03
75 F= -.14286289E+04 E0= -.14286452E+04 d E =-.200383E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862865464E+04 0.27102E-03 -0.38421E-01 890 0.103E+00 0.129E-01
DAV: 2 -0.142862929307E+04 -0.63844E-03 -0.79511E-03 956 0.131E-01 0.849E-02
DAV: 3 -0.142862924951E+04 0.43559E-04 -0.18743E-04 1084 0.267E-02 0.491E-02
DAV: 4 -0.142862925094E+04 -0.14278E-05 -0.95050E-05 1028 0.201E-02
76 F= -.14286293E+04 E0= -.14286456E+04 d E =-.530301E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862952846E+04 -0.27895E-03 -0.10761E-01 890 0.548E-01 0.716E-02
DAV: 2 -0.142862971720E+04 -0.18874E-03 -0.23743E-03 1004 0.732E-02 0.471E-02
DAV: 3 -0.142862970402E+04 0.13185E-04 -0.62315E-05 1028 0.160E-02 0.283E-02
DAV: 4 -0.142862970408E+04 -0.65615E-07 -0.30030E-05 788 0.116E-02
77 F= -.14286297E+04 E0= -.14286460E+04 d E =-.453144E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862978006E+04 -0.76037E-04 -0.19276E-02 890 0.232E-01 0.314E-02
DAV: 2 -0.142862981343E+04 -0.33374E-04 -0.42361E-04 1004 0.313E-02 0.203E-02
DAV: 3 -0.142862981109E+04 0.23426E-05 -0.10472E-05 580 0.712E-03
78 F= -.14286298E+04 E0= -.14286461E+04 d E =-.560147E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862975949E+04 0.53944E-04 -0.76305E-02 890 0.462E-01 0.601E-02
DAV: 2 -0.142862988633E+04 -0.12685E-03 -0.16284E-03 1004 0.605E-02 0.401E-02
DAV: 3 -0.142862987654E+04 0.97901E-05 -0.42602E-05 916 0.130E-02
79 F= -.14286299E+04 E0= -.14286461E+04 d E =-.625604E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862999700E+04 -0.11066E-03 -0.14332E-01 890 0.631E-01 0.819E-02
DAV: 2 -0.142863022512E+04 -0.22812E-03 -0.29319E-03 988 0.804E-02 0.540E-02
DAV: 3 -0.142863020899E+04 0.16129E-04 -0.79071E-05 1068 0.171E-02 0.307E-02
DAV: 4 -0.142863020975E+04 -0.76478E-06 -0.34427E-05 852 0.119E-02
80 F= -.14286302E+04 E0= -.14286464E+04 d E =-.333206E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863015536E+04 0.53630E-04 -0.14603E-01 890 0.636E-01 0.804E-02
DAV: 2 -0.142863040353E+04 -0.24817E-03 -0.30928E-03 980 0.824E-02 0.531E-02
DAV: 3 -0.142863038649E+04 0.17043E-04 -0.76293E-05 1068 0.172E-02 0.310E-02
DAV: 4 -0.142863038639E+04 0.95366E-07 -0.35189E-05 860 0.119E-02
81 F= -.14286304E+04 E0= -.14286466E+04 d E =-.509846E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863070186E+04 -0.31538E-03 -0.12478E-01 890 0.591E-01 0.769E-02
DAV: 2 -0.142863091506E+04 -0.21320E-03 -0.27485E-03 1012 0.794E-02 0.516E-02
DAV: 3 -0.142863089559E+04 0.19470E-04 -0.78168E-05 1060 0.188E-02 0.316E-02
DAV: 4 -0.142863089328E+04 0.23118E-05 -0.41291E-05 916 0.134E-02
82 F= -.14286309E+04 E0= -.14286471E+04 d E =-.506887E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863093459E+04 -0.39002E-04 -0.11227E-02 890 0.177E-01 0.253E-02
DAV: 2 -0.142863095403E+04 -0.19438E-04 -0.24729E-04 1028 0.241E-02 0.163E-02
DAV: 3 -0.142863095245E+04 0.15826E-05 -0.65728E-06 516 0.594E-03
83 F= -.14286310E+04 E0= -.14286472E+04 d E =-.566056E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863087787E+04 0.76161E-04 -0.44454E-02 890 0.353E-01 0.470E-02
DAV: 2 -0.142863095088E+04 -0.73016E-04 -0.95523E-04 1028 0.467E-02 0.315E-02
DAV: 3 -0.142863094394E+04 0.69427E-05 -0.25519E-05 788 0.110E-02
84 F= -.14286309E+04 E0= -.14286473E+04 d E =-.557551E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863095078E+04 0.99841E-07 -0.11629E-02 890 0.181E-01 0.214E-02
DAV: 2 -0.142863097215E+04 -0.21369E-04 -0.28123E-04 1012 0.261E-02 0.149E-02
DAV: 3 -0.142863096970E+04 0.24550E-05 -0.78136E-06 500 0.631E-03
85 F= -.14286310E+04 E0= -.14286473E+04 d E =-.583308E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863108520E+04 -0.11304E-03 -0.14092E-01 890 0.627E-01 0.768E-02
DAV: 2 -0.142863132632E+04 -0.24113E-03 -0.30067E-03 972 0.817E-02 0.517E-02
DAV: 3 -0.142863130691E+04 0.19415E-04 -0.75163E-05 1068 0.177E-02 0.306E-02
DAV: 4 -0.142863130521E+04 0.16911E-05 -0.37687E-05 892 0.126E-02
86 F= -.14286313E+04 E0= -.14286476E+04 d E =-.335516E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863131524E+04 -0.83376E-05 -0.28659E-02 890 0.283E-01 0.377E-02
DAV: 2 -0.142863136384E+04 -0.48600E-04 -0.60633E-04 996 0.369E-02 0.246E-02
DAV: 3 -0.142863136020E+04 0.36486E-05 -0.13751E-05 628 0.840E-03
87 F= -.14286314E+04 E0= -.14286476E+04 d E =-.390496E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863161334E+04 -0.24950E-03 -0.71286E-02 890 0.447E-01 0.596E-02
DAV: 2 -0.142863172576E+04 -0.11242E-03 -0.15298E-03 1036 0.606E-02 0.403E-02
DAV: 3 -0.142863171440E+04 0.11357E-04 -0.51661E-05 988 0.147E-02 0.248E-02
DAV: 4 -0.142863171241E+04 0.19922E-05 -0.24807E-05 708 0.107E-02
88 F= -.14286317E+04 E0= -.14286479E+04 d E =-.352215E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863173167E+04 -0.17266E-04 -0.11854E-02 890 0.182E-01 0.251E-02
DAV: 2 -0.142863175169E+04 -0.20022E-04 -0.26024E-04 1044 0.250E-02 0.166E-02
DAV: 3 -0.142863174982E+04 0.18693E-05 -0.72339E-06 540 0.599E-03
89 F= -.14286317E+04 E0= -.14286479E+04 d E =-.389627E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863192430E+04 -0.17261E-03 -0.75435E-02 890 0.461E-01 0.611E-02
DAV: 2 -0.142863205048E+04 -0.12619E-03 -0.16438E-03 1012 0.614E-02 0.396E-02
DAV: 3 -0.142863203924E+04 0.11243E-04 -0.47458E-05 964 0.132E-02 0.228E-02
DAV: 4 -0.142863203835E+04 0.88997E-06 -0.20094E-05 604 0.927E-03
90 F= -.14286320E+04 E0= -.14286482E+04 d E =-.288527E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863205329E+04 -0.14053E-04 -0.13341E-02 890 0.193E-01 0.262E-02
DAV: 2 -0.142863207696E+04 -0.23667E-04 -0.29778E-04 1036 0.261E-02 0.164E-02
DAV: 3 -0.142863207501E+04 0.19483E-05 -0.69059E-06 540 0.562E-03
91 F= -.14286321E+04 E0= -.14286482E+04 d E =-.325189E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863225825E+04 -0.18129E-03 -0.83210E-02 890 0.484E-01 0.633E-02
DAV: 2 -0.142863239522E+04 -0.13697E-03 -0.18028E-03 1020 0.652E-02 0.430E-02
DAV: 3 -0.142863238255E+04 0.12668E-04 -0.53700E-05 988 0.158E-02 0.268E-02
DAV: 4 -0.142863238095E+04 0.15981E-05 -0.30093E-05 828 0.115E-02
92 F= -.14286324E+04 E0= -.14286486E+04 d E =-.305945E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863239658E+04 -0.14026E-04 -0.14562E-02 890 0.202E-01 0.280E-02
DAV: 2 -0.142863242143E+04 -0.24848E-04 -0.32228E-04 1028 0.279E-02 0.185E-02
DAV: 3 -0.142863241931E+04 0.21162E-05 -0.89272E-06 532 0.693E-03
93 F= -.14286324E+04 E0= -.14286486E+04 d E =-.344300E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863261785E+04 -0.19643E-03 -0.69742E-02 890 0.442E-01 0.576E-02
DAV: 2 -0.142863273003E+04 -0.11217E-03 -0.14484E-03 988 0.570E-02 0.383E-02
DAV: 3 -0.142863272106E+04 0.89686E-05 -0.38471E-05 908 0.126E-02
94 F= -.14286327E+04 E0= -.14286489E+04 d E =-.301750E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863271225E+04 0.17781E-04 -0.86376E-02 890 0.491E-01 0.650E-02
DAV: 2 -0.142863284764E+04 -0.13539E-03 -0.17514E-03 996 0.626E-02 0.428E-02
DAV: 3 -0.142863283756E+04 0.10075E-04 -0.48917E-05 964 0.139E-02 0.242E-02
DAV: 4 -0.142863283806E+04 -0.49511E-06 -0.21936E-05 652 0.988E-03
95 F= -.14286328E+04 E0= -.14286491E+04 d E =-.418749E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863299708E+04 -0.15952E-03 -0.46979E-02 890 0.361E-01 0.464E-02
DAV: 2 -0.142863307552E+04 -0.78440E-04 -0.98340E-04 996 0.467E-02 0.300E-02
DAV: 3 -0.142863307035E+04 0.51695E-05 -0.23113E-05 780 0.976E-03
96 F= -.14286331E+04 E0= -.14286493E+04 d E =-.232294E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863269277E+04 0.38275E-03 -0.41997E-01 890 0.108E+00 0.137E-01
DAV: 2 -0.142863336779E+04 -0.67502E-03 -0.86025E-03 1004 0.138E-01 0.898E-02
DAV: 3 -0.142863332020E+04 0.47586E-04 -0.22683E-04 1076 0.287E-02 0.511E-02
DAV: 4 -0.142863331860E+04 0.16031E-05 -0.93371E-05 1012 0.200E-02
97 F= -.14286333E+04 E0= -.14286494E+04 d E =-.480541E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863326221E+04 0.57998E-04 -0.37575E-02 890 0.324E-01 0.386E-02
DAV: 2 -0.142863332113E+04 -0.58926E-04 -0.77812E-04 980 0.415E-02 0.264E-02
DAV: 3 -0.142863331525E+04 0.58834E-05 -0.17927E-05 700 0.828E-03
98 F= -.14286333E+04 E0= -.14286494E+04 d E =-.477189E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863355150E+04 -0.23037E-03 -0.77348E-02 890 0.466E-01 0.578E-02
DAV: 2 -0.142863368386E+04 -0.13235E-03 -0.16833E-03 988 0.614E-02 0.387E-02
DAV: 3 -0.142863367247E+04 0.11390E-04 -0.41026E-05 916 0.128E-02 0.228E-02
DAV: 4 -0.142863367088E+04 0.15901E-05 -0.20237E-05 596 0.925E-03
99 F= -.14286337E+04 E0= -.14286498E+04 d E =-.355628E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863369271E+04 -0.20241E-04 -0.94860E-02 890 0.515E-01 0.667E-02
DAV: 2 -0.142863385087E+04 -0.15816E-03 -0.20139E-03 1004 0.674E-02 0.438E-02
DAV: 3 -0.142863383864E+04 0.12227E-04 -0.52376E-05 988 0.145E-02 0.257E-02
DAV: 4 -0.142863383800E+04 0.64396E-06 -0.24748E-05 668 0.102E-02
100 F= -.14286338E+04 E0= -.14286499E+04 d E =-.522751E-03