Stage_1/0.005_+e5 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 0.393260396109E+04 0.39326E+04 -0.28974E+05 896 0.111E+03
DAV: 2 -0.105047779860E+04 -0.49831E+04 -0.47878E+04 1136 0.297E+02
DAV: 3 -0.152626847398E+04 -0.47579E+03 -0.47061E+03 1024 0.970E+01
DAV: 4 -0.153854968260E+04 -0.12281E+02 -0.12222E+02 1104 0.167E+01
DAV: 5 -0.153894151504E+04 -0.39183E+00 -0.39128E+00 1120 0.278E+00 0.627E+01
DAV: 6 -0.144832260691E+04 0.90619E+02 -0.17334E+02 1000 0.196E+01 0.341E+01
DAV: 7 -0.143034665818E+04 0.17976E+02 -0.48364E+01 1056 0.114E+01 0.159E+01
DAV: 8 -0.142855073152E+04 0.17959E+01 -0.10587E+01 1048 0.497E+00 0.582E+00
DAV: 9 -0.142849763127E+04 0.53100E-01 -0.12669E+00 1064 0.236E+00 0.196E+00
DAV: 10 -0.142849524105E+04 0.23902E-02 -0.34013E-01 992 0.113E+00 0.674E-01
DAV: 11 -0.142850196285E+04 -0.67218E-02 -0.67688E-02 1016 0.481E-01 0.386E-01
DAV: 12 -0.142850289347E+04 -0.93061E-03 -0.10180E-02 1000 0.233E-01 0.228E-01
DAV: 13 -0.142850180175E+04 0.10917E-02 -0.57289E-03 968 0.208E-01 0.111E-01
DAV: 14 -0.142850011376E+04 0.16880E-02 -0.31733E-03 1064 0.153E-01 0.671E-02
DAV: 15 -0.142849960278E+04 0.51098E-03 -0.14574E-03 1056 0.870E-02 0.425E-02
DAV: 16 -0.142849942644E+04 0.17634E-03 -0.22290E-04 1072 0.386E-02 0.244E-02
DAV: 17 -0.142849935371E+04 0.72726E-04 -0.40679E-05 1016 0.266E-02 0.123E-02
DAV: 18 -0.142849932347E+04 0.30244E-04 -0.22552E-05 920 0.232E-02 0.693E-03
DAV: 19 -0.142849931348E+04 0.99851E-05 -0.36244E-05 1024 0.179E-02
1 F= -.14284993E+04 E0= -.14285162E+04 d E =-.142850E+04
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142839854070E+04 0.10078E+00 -0.10304E+01 920 0.544E+00 0.888E-01
DAV: 2 -0.142842338240E+04 -0.24842E-01 -0.35927E-01 1096 0.903E-01 0.579E-01
DAV: 3 -0.142841872686E+04 0.46555E-02 -0.14534E-02 1040 0.233E-01 0.346E-01
DAV: 4 -0.142841737372E+04 0.13531E-02 -0.60106E-03 1032 0.160E-01 0.143E-01
DAV: 5 -0.142841728130E+04 0.92419E-04 -0.16194E-03 1048 0.796E-02 0.637E-02
DAV: 6 -0.142841726784E+04 0.13463E-04 -0.33725E-04 1040 0.365E-02 0.310E-02
DAV: 7 -0.142841724639E+04 0.21444E-04 -0.76510E-05 1032 0.196E-02 0.167E-02
DAV: 8 -0.142841723413E+04 0.12261E-04 -0.17265E-05 712 0.131E-02 0.692E-03
DAV: 9 -0.142841722630E+04 0.78368E-05 -0.81057E-06 656 0.112E-02
2 F= -.14284172E+04 E0= -.14284329E+04 d E =0.820872E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142849408540E+04 -0.76851E-01 -0.63500E+00 920 0.428E+00 0.691E-01
DAV: 2 -0.142850975098E+04 -0.15666E-01 -0.22352E-01 1088 0.709E-01 0.457E-01
DAV: 3 -0.142850687299E+04 0.28780E-02 -0.85518E-03 1048 0.179E-01 0.276E-01
DAV: 4 -0.142850599429E+04 0.87870E-03 -0.39209E-03 1024 0.126E-01 0.108E-01
DAV: 5 -0.142850596083E+04 0.33452E-04 -0.99427E-04 1056 0.609E-02 0.489E-02
DAV: 6 -0.142850595774E+04 0.30990E-05 -0.19489E-04 1032 0.262E-02 0.238E-02
DAV: 7 -0.142850594752E+04 0.10213E-04 -0.37462E-05 912 0.137E-02 0.125E-02
DAV: 8 -0.142850594443E+04 0.30959E-05 -0.11248E-05 608 0.809E-03
3 F= -.14285059E+04 E0= -.14285221E+04 d E =-.663095E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142850995345E+04 -0.40059E-02 -0.14786E+00 912 0.211E+00 0.323E-01
DAV: 2 -0.142851291377E+04 -0.29603E-02 -0.39138E-02 1048 0.310E-01 0.221E-01
DAV: 3 -0.142851247974E+04 0.43403E-03 -0.13985E-03 1048 0.818E-02 0.139E-01
DAV: 4 -0.142851241148E+04 0.68265E-04 -0.11860E-03 1008 0.638E-02 0.479E-02
DAV: 5 -0.142851241124E+04 0.24198E-06 -0.18261E-04 1088 0.286E-02 0.246E-02
DAV: 6 -0.142851240937E+04 0.18668E-05 -0.36150E-05 816 0.117E-02
4 F= -.14285124E+04 E0= -.14285287E+04 d E =-.646494E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142851250809E+04 -0.96858E-04 -0.24729E-02 912 0.273E-01 0.398E-02
DAV: 2 -0.142851255087E+04 -0.42780E-04 -0.61258E-04 1048 0.388E-02 0.283E-02
DAV: 3 -0.142851254292E+04 0.79508E-05 -0.21617E-05 688 0.105E-02
5 F= -.14285125E+04 E0= -.14285288E+04 d E =-.659850E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142851476355E+04 -0.22127E-02 -0.61877E-01 912 0.134E+00 0.197E-01
DAV: 2 -0.142851602555E+04 -0.12620E-02 -0.16962E-02 1072 0.191E-01 0.115E-01
DAV: 3 -0.142851587469E+04 0.15087E-03 -0.53424E-04 1048 0.481E-02 0.695E-02
DAV: 4 -0.142851586607E+04 0.86165E-05 -0.34628E-04 1040 0.363E-02 0.270E-02
DAV: 5 -0.142851586987E+04 -0.38036E-05 -0.68648E-05 968 0.162E-02
6 F= -.14285159E+04 E0= -.14285322E+04 d E =-.332695E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142851587494E+04 -0.88723E-05 -0.10216E-03 928 0.544E-02 0.101E-02
DAV: 2 -0.142851587530E+04 -0.35664E-06 -0.26039E-05 656 0.863E-03
7 F= -.14285159E+04 E0= -.14285322E+04 d E =-.333238E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142851685960E+04 -0.98465E-03 -0.75509E-02 912 0.475E-01 0.669E-02
DAV: 2 -0.142851700327E+04 -0.14367E-03 -0.19248E-03 1064 0.686E-02 0.401E-02
DAV: 3 -0.142851699140E+04 0.11876E-04 -0.79296E-05 1064 0.168E-02 0.236E-02
DAV: 4 -0.142851698904E+04 0.23601E-05 -0.21827E-05 664 0.101E-02
8 F= -.14285170E+04 E0= -.14285333E+04 d E =-.111374E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142851714708E+04 -0.15568E-03 -0.31414E-02 912 0.306E-01 0.451E-02
DAV: 2 -0.142851720627E+04 -0.59199E-04 -0.79232E-04 1064 0.440E-02 0.263E-02
DAV: 3 -0.142851720151E+04 0.47624E-05 -0.30287E-05 800 0.109E-02
9 F= -.14285172E+04 E0= -.14285334E+04 d E =-.132621E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142851790008E+04 -0.69381E-03 -0.85196E-02 912 0.501E-01 0.704E-02
DAV: 2 -0.142851806861E+04 -0.16852E-03 -0.21714E-03 1056 0.710E-02 0.468E-02
DAV: 3 -0.142851805297E+04 0.15641E-04 -0.70302E-05 1032 0.173E-02 0.290E-02
DAV: 4 -0.142851804981E+04 0.31552E-05 -0.41489E-05 928 0.125E-02
10 F= -.14285180E+04 E0= -.14285343E+04 d E =-.848298E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142851812076E+04 -0.67795E-04 -0.20150E-02 912 0.244E-01 0.357E-02
DAV: 2 -0.142851816194E+04 -0.41181E-04 -0.52690E-04 1064 0.351E-02 0.235E-02
DAV: 3 -0.142851815799E+04 0.39542E-05 -0.15269E-05 616 0.877E-03
11 F= -.14285182E+04 E0= -.14285345E+04 d E =-.956476E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142851864019E+04 -0.47825E-03 -0.10193E-01 912 0.539E-01 0.777E-02
DAV: 2 -0.142851884739E+04 -0.20721E-03 -0.26523E-03 1072 0.767E-02 0.449E-02
DAV: 3 -0.142851883356E+04 0.13833E-04 -0.84449E-05 1024 0.175E-02 0.268E-02
DAV: 4 -0.142851883346E+04 0.10386E-06 -0.38886E-05 880 0.124E-02
12 F= -.14285188E+04 E0= -.14285352E+04 d E =-.675470E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142851887295E+04 -0.39393E-04 -0.13499E-02 912 0.196E-01 0.299E-02
DAV: 2 -0.142851890148E+04 -0.28520E-04 -0.35797E-04 1072 0.282E-02 0.167E-02
DAV: 3 -0.142851889956E+04 0.19170E-05 -0.93761E-06 552 0.650E-03
13 F= -.14285189E+04 E0= -.14285352E+04 d E =-.741571E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142851921737E+04 -0.31589E-03 -0.55004E-02 912 0.398E-01 0.546E-02
DAV: 2 -0.142851932430E+04 -0.10693E-03 -0.13726E-03 1064 0.565E-02 0.347E-02
DAV: 3 -0.142851931563E+04 0.86655E-05 -0.41294E-05 880 0.130E-02
14 F= -.14285193E+04 E0= -.14285356E+04 d E =-.416075E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142851934059E+04 -0.16290E-04 -0.13345E-02 912 0.196E-01 0.305E-02
DAV: 2 -0.142851936193E+04 -0.21342E-04 -0.30405E-04 1072 0.270E-02 0.190E-02
DAV: 3 -0.142851936006E+04 0.18748E-05 -0.97524E-06 544 0.666E-03
15 F= -.14285194E+04 E0= -.14285356E+04 d E =-.460498E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142851957522E+04 -0.21328E-03 -0.65950E-02 896 0.431E-01 0.561E-02
DAV: 2 -0.142851969532E+04 -0.12011E-03 -0.14877E-03 1032 0.571E-02 0.347E-02
DAV: 3 -0.142851968911E+04 0.62167E-05 -0.43295E-05 920 0.122E-02
16 F= -.14285197E+04 E0= -.14285359E+04 d E =-.329051E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142851970653E+04 -0.11211E-04 -0.16401E-02 912 0.214E-01 0.312E-02
DAV: 2 -0.142851973246E+04 -0.25921E-04 -0.34178E-04 1040 0.276E-02 0.191E-02
DAV: 3 -0.142851973131E+04 0.11501E-05 -0.11327E-05 584 0.645E-03
17 F= -.14285197E+04 E0= -.14285360E+04 d E =-.371250E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142851998628E+04 -0.25382E-03 -0.53651E-02 896 0.386E-01 0.508E-02
DAV: 2 -0.142852008200E+04 -0.95725E-04 -0.11971E-03 1048 0.512E-02 0.310E-02
DAV: 3 -0.142852007743E+04 0.45725E-05 -0.31387E-05 808 0.108E-02
18 F= -.14285201E+04 E0= -.14285364E+04 d E =-.346125E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142852007858E+04 0.34190E-05 -0.10356E-01 896 0.537E-01 0.716E-02
DAV: 2 -0.142852025838E+04 -0.17980E-03 -0.22709E-03 1048 0.705E-02 0.436E-02
DAV: 3 -0.142852025032E+04 0.80682E-05 -0.65082E-05 1032 0.150E-02
19 F= -.14285203E+04 E0= -.14285366E+04 d E =-.519011E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142852047531E+04 -0.21692E-03 -0.47399E-02 896 0.364E-01 0.494E-02
DAV: 2 -0.142852055447E+04 -0.79160E-04 -0.99936E-04 1016 0.469E-02 0.308E-02
DAV: 3 -0.142852055096E+04 0.35048E-05 -0.27224E-05 784 0.104E-02
20 F= -.14285206E+04 E0= -.14285369E+04 d E =-.300644E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142852046833E+04 0.86134E-04 -0.17069E-01 896 0.691E-01 0.897E-02
DAV: 2 -0.142852076675E+04 -0.29842E-03 -0.36874E-03 1016 0.897E-02 0.566E-02
DAV: 3 -0.142852075245E+04 0.14302E-04 -0.99896E-05 1072 0.191E-02 0.333E-02
DAV: 4 -0.142852075275E+04 -0.30744E-06 -0.39515E-05 896 0.130E-02
21 F= -.14285208E+04 E0= -.14285370E+04 d E =-.502437E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142852094122E+04 -0.18878E-03 -0.55625E-02 896 0.394E-01 0.514E-02
DAV: 2 -0.142852104034E+04 -0.99113E-04 -0.12178E-03 1024 0.515E-02 0.319E-02
DAV: 3 -0.142852103579E+04 0.45462E-05 -0.29151E-05 808 0.108E-02
22 F= -.14285210E+04 E0= -.14285373E+04 d E =-.283038E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142852075710E+04 0.28323E-03 -0.28287E-01 896 0.888E-01 0.115E-01
DAV: 2 -0.142852124403E+04 -0.48693E-03 -0.60533E-03 1024 0.115E-01 0.724E-02
DAV: 3 -0.142852122127E+04 0.22762E-04 -0.15907E-04 1072 0.237E-02 0.424E-02
DAV: 4 -0.142852122332E+04 -0.20509E-05 -0.65983E-05 992 0.167E-02
23 F= -.14285212E+04 E0= -.14285374E+04 d E =-.470569E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142852118605E+04 0.35220E-04 -0.28897E-02 896 0.284E-01 0.340E-02
DAV: 2 -0.142852123572E+04 -0.49673E-04 -0.62701E-04 1016 0.370E-02 0.225E-02
DAV: 3 -0.142852123222E+04 0.35094E-05 -0.14458E-05 576 0.744E-03
24 F= -.14285212E+04 E0= -.14285374E+04 d E =-.479462E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142852145268E+04 -0.21696E-03 -0.28783E-02 896 0.285E-01 0.355E-02
DAV: 2 -0.142852150942E+04 -0.56742E-04 -0.69210E-04 1032 0.392E-02 0.229E-02
DAV: 3 -0.142852150538E+04 0.40373E-05 -0.16345E-05 648 0.813E-03
25 F= -.14285215E+04 E0= -.14285377E+04 d E =-.273169E-03