./Stage_1/0.005_-e1 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 0.395164357506E+04 0.39516E+04 -0.29058E+05 890 0.112E+03
DAV: 2 -0.105681571698E+04 -0.50085E+04 -0.48254E+04 1151 0.299E+02
DAV: 3 -0.152792889157E+04 -0.47111E+03 -0.46639E+03 1020 0.977E+01
DAV: 4 -0.153985590562E+04 -0.11927E+02 -0.11879E+02 1076 0.167E+01
DAV: 5 -0.154024586978E+04 -0.38996E+00 -0.38943E+00 1116 0.282E+00 0.630E+01
DAV: 6 -0.144849006422E+04 0.91756E+02 -0.17545E+02 996 0.198E+01 0.343E+01
DAV: 7 -0.143021893414E+04 0.18271E+02 -0.49626E+01 1052 0.115E+01 0.160E+01
DAV: 8 -0.142844461029E+04 0.17743E+01 -0.10533E+01 1036 0.501E+00 0.586E+00
DAV: 9 -0.142839379094E+04 0.50819E-01 -0.13520E+00 1044 0.239E+00 0.199E+00
DAV: 10 -0.142839016800E+04 0.36229E-02 -0.34736E-01 988 0.115E+00 0.741E-01
DAV: 11 -0.142839672609E+04 -0.65581E-02 -0.87698E-02 1004 0.515E-01 0.407E-01
DAV: 12 -0.142839782923E+04 -0.11031E-02 -0.12700E-02 988 0.252E-01 0.233E-01
DAV: 13 -0.142839701963E+04 0.80960E-03 -0.63146E-03 972 0.216E-01 0.112E-01
DAV: 14 -0.142839538065E+04 0.16390E-02 -0.33682E-03 1068 0.156E-01 0.684E-02
DAV: 15 -0.142839482947E+04 0.55118E-03 -0.14251E-03 1036 0.880E-02 0.421E-02
DAV: 16 -0.142839464031E+04 0.18916E-03 -0.24563E-04 1060 0.399E-02 0.255E-02
DAV: 17 -0.142839455277E+04 0.87542E-04 -0.38702E-05 1004 0.292E-02 0.130E-02
DAV: 18 -0.142839451061E+04 0.42159E-04 -0.33108E-05 964 0.284E-02 0.791E-03
DAV: 19 -0.142839449223E+04 0.18378E-04 -0.49162E-05 1108 0.243E-02 0.626E-03
DAV: 20 -0.142839448544E+04 0.67899E-05 -0.27533E-05 860 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 -0.142820832404E+04 0.18617E+00 -0.22306E+01 908 0.791E+00 0.141E+00
DAV: 2 -0.142826672302E+04 -0.58399E-01 -0.85256E-01 1068 0.133E+00 0.850E-01
DAV: 3 -0.142825645405E+04 0.10269E-01 -0.24186E-02 1036 0.303E-01 0.533E-01
DAV: 4 -0.142825364741E+04 0.28066E-02 -0.16326E-02 1004 0.236E-01 0.192E-01
DAV: 5 -0.142825361841E+04 0.29003E-04 -0.29937E-03 1044 0.108E-01 0.940E-02
DAV: 6 -0.142825359644E+04 0.21974E-04 -0.67131E-04 1020 0.494E-02 0.423E-02
DAV: 7 -0.142825356571E+04 0.30726E-04 -0.11305E-04 1020 0.218E-02 0.229E-02
DAV: 8 -0.142825355756E+04 0.81466E-05 -0.35974E-05 860 0.113E-02
2 F= -.14282536E+04 E0= -.14282698E+04 d E =0.140928E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142838506940E+04 -0.13150E+00 -0.12963E+01 890 0.603E+00 0.107E+00
DAV: 2 -0.142841760564E+04 -0.32536E-01 -0.47276E-01 1068 0.998E-01 0.635E-01
DAV: 3 -0.142841176937E+04 0.58363E-02 -0.14141E-02 1028 0.230E-01 0.384E-01
DAV: 4 -0.142841032165E+04 0.14477E-02 -0.84269E-03 1012 0.171E-01 0.138E-01
DAV: 5 -0.142841030792E+04 0.13737E-04 -0.15999E-03 1052 0.789E-02 0.678E-02
DAV: 6 -0.142841030241E+04 0.55064E-05 -0.33881E-04 1012 0.351E-02 0.308E-02
DAV: 7 -0.142841028763E+04 0.14779E-04 -0.59883E-05 996 0.155E-02 0.163E-02
DAV: 8 -0.142841028536E+04 0.22700E-05 -0.17767E-05 668 0.839E-03
3 F= -.14284103E+04 E0= -.14284263E+04 d E =-.157999E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842222417E+04 -0.11937E-01 -0.50111E+00 890 0.386E+00 0.642E-01
DAV: 2 -0.142843058916E+04 -0.83650E-02 -0.13425E-01 1028 0.580E-01 0.446E-01
DAV: 3 -0.142842855605E+04 0.20331E-02 -0.60188E-03 1028 0.168E-01 0.280E-01
DAV: 4 -0.142842825258E+04 0.30347E-03 -0.51343E-03 1004 0.123E-01 0.102E-01
DAV: 5 -0.142842820369E+04 0.48887E-04 -0.53076E-04 1124 0.522E-02 0.483E-02
DAV: 6 -0.142842819471E+04 0.89803E-05 -0.18021E-04 1020 0.260E-02 0.237E-02
DAV: 7 -0.142842818776E+04 0.69506E-05 -0.31919E-05 820 0.135E-02
4 F= -.14284282E+04 E0= -.14284447E+04 d E =-.179024E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843000609E+04 -0.18114E-02 -0.31364E-01 900 0.966E-01 0.159E-01
DAV: 2 -0.142843055218E+04 -0.54609E-03 -0.83401E-03 1028 0.145E-01 0.112E-01
DAV: 3 -0.142843042948E+04 0.12271E-03 -0.36570E-04 1028 0.416E-02 0.699E-02
DAV: 4 -0.142843041568E+04 0.13794E-04 -0.32682E-04 1004 0.308E-02 0.252E-02
DAV: 5 -0.142843041397E+04 0.17135E-05 -0.31213E-05 748 0.130E-02
5 F= -.14284304E+04 E0= -.14284469E+04 d E =-.201286E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142840506349E+04 0.25352E-01 -0.58552E+00 890 0.414E+00 0.648E-01
DAV: 2 -0.142841558087E+04 -0.10517E-01 -0.16782E-01 1052 0.611E-01 0.386E-01
DAV: 3 -0.142841368803E+04 0.18928E-02 -0.58484E-03 1044 0.154E-01 0.235E-01
DAV: 4 -0.142841339575E+04 0.29228E-03 -0.33395E-03 1028 0.107E-01 0.903E-02
DAV: 5 -0.142841340929E+04 -0.13545E-04 -0.59021E-04 1060 0.505E-02 0.381E-02
DAV: 6 -0.142841339823E+04 0.11058E-04 -0.83918E-05 1004 0.187E-02 0.179E-02
DAV: 7 -0.142841338901E+04 0.92252E-05 -0.17737E-05 700 0.116E-02
6 F= -.14284134E+04 E0= -.14284290E+04 d E =0.170250E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843269716E+04 -0.19299E-01 -0.25736E+00 890 0.274E+00 0.426E-01
DAV: 2 -0.142843733414E+04 -0.46370E-02 -0.72347E-02 1060 0.403E-01 0.254E-01
DAV: 3 -0.142843653776E+04 0.79637E-03 -0.25226E-03 1044 0.100E-01 0.153E-01
DAV: 4 -0.142843643197E+04 0.10579E-03 -0.14331E-03 1036 0.688E-02 0.579E-02
DAV: 5 -0.142843643919E+04 -0.72176E-05 -0.22619E-04 1036 0.305E-02 0.243E-02
DAV: 6 -0.142843643830E+04 0.89331E-06 -0.30709E-05 788 0.108E-02
7 F= -.14284364E+04 E0= -.14284524E+04 d E =-.602433E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843690807E+04 -0.46888E-03 -0.56709E-01 908 0.130E+00 0.178E-01
DAV: 2 -0.142843812100E+04 -0.12129E-02 -0.15865E-02 1060 0.193E-01 0.115E-01
DAV: 3 -0.142843799808E+04 0.12292E-03 -0.59385E-04 1052 0.455E-02 0.697E-02
DAV: 4 -0.142843795941E+04 0.38669E-04 -0.23734E-04 1020 0.312E-02 0.241E-02
DAV: 5 -0.142843795670E+04 0.27087E-05 -0.44901E-05 860 0.145E-02
8 F= -.14284380E+04 E0= -.14284541E+04 d E =-.151841E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843826695E+04 -0.30754E-03 -0.56643E-02 900 0.412E-01 0.558E-02
DAV: 2 -0.142843838016E+04 -0.11321E-03 -0.15587E-03 1060 0.609E-02 0.367E-02
DAV: 3 -0.142843836738E+04 0.12780E-04 -0.63857E-05 1028 0.145E-02 0.220E-02
DAV: 4 -0.142843836342E+04 0.39540E-05 -0.21172E-05 636 0.965E-03
9 F= -.14284384E+04 E0= -.14284545E+04 d E =-.192513E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843881164E+04 -0.44426E-03 -0.49507E-01 890 0.122E+00 0.160E-01
DAV: 2 -0.142843974392E+04 -0.93228E-03 -0.12074E-02 1044 0.165E-01 0.105E-01
DAV: 3 -0.142843966373E+04 0.80194E-04 -0.42955E-04 1068 0.398E-02 0.652E-02
DAV: 4 -0.142843964014E+04 0.23588E-04 -0.17028E-04 1012 0.266E-02 0.234E-02
DAV: 5 -0.142843963958E+04 0.55663E-06 -0.36384E-05 804 0.129E-02
10 F= -.14284396E+04 E0= -.14284558E+04 d E =-.127616E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843972332E+04 -0.83182E-04 -0.25732E-02 900 0.277E-01 0.360E-02
DAV: 2 -0.142843976780E+04 -0.44481E-04 -0.61546E-04 1052 0.376E-02 0.244E-02
DAV: 3 -0.142843976290E+04 0.49037E-05 -0.22207E-05 628 0.933E-03
11 F= -.14284398E+04 E0= -.14284559E+04 d E =-.139947E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843960682E+04 0.16098E-03 -0.48647E-01 900 0.119E+00 0.159E-01
DAV: 2 -0.142844064868E+04 -0.10419E-02 -0.12751E-02 1020 0.168E-01 0.933E-02
DAV: 3 -0.142844059163E+04 0.57050E-04 -0.40234E-04 1052 0.373E-02 0.568E-02
DAV: 4 -0.142844058242E+04 0.92039E-05 -0.13000E-04 1012 0.238E-02 0.209E-02
DAV: 5 -0.142844058346E+04 -0.10360E-05 -0.31158E-05 812 0.120E-02
12 F= -.14284406E+04 E0= -.14284568E+04 d E =-.820560E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844064303E+04 -0.60606E-04 -0.35170E-02 900 0.321E-01 0.419E-02
DAV: 2 -0.142844071496E+04 -0.71932E-04 -0.91400E-04 1020 0.453E-02 0.259E-02
DAV: 3 -0.142844071013E+04 0.48328E-05 -0.29527E-05 756 0.103E-02
13 F= -.14284407E+04 E0= -.14284570E+04 d E =-.947229E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844098065E+04 -0.26569E-03 -0.22623E-01 900 0.802E-01 0.103E-01
DAV: 2 -0.142844143796E+04 -0.45731E-03 -0.55713E-03 1044 0.112E-01 0.617E-02
DAV: 3 -0.142844140975E+04 0.28213E-04 -0.15399E-04 1060 0.237E-02 0.376E-02
DAV: 4 -0.142844140469E+04 0.50657E-05 -0.66438E-05 988 0.163E-02
14 F= -.14284414E+04 E0= -.14284577E+04 d E =-.694558E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844140304E+04 0.67119E-05 -0.31140E-04 932 0.305E-02 0.523E-03
DAV: 2 -0.142844140353E+04 -0.48999E-06 -0.10238E-05 548 0.554E-03
15 F= -.14284414E+04 E0= -.14284577E+04 d E =-.693402E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844166958E+04 -0.26655E-03 -0.16345E-01 890 0.677E-01 0.866E-02
DAV: 2 -0.142844198930E+04 -0.31972E-03 -0.39080E-03 1028 0.917E-02 0.523E-02
DAV: 3 -0.142844197272E+04 0.16576E-04 -0.10537E-04 1060 0.189E-02 0.311E-02
DAV: 4 -0.142844197094E+04 0.17880E-05 -0.36869E-05 836 0.132E-02
16 F= -.14284420E+04 E0= -.14284583E+04 d E =-.567408E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844197877E+04 -0.60469E-05 -0.20834E-03 916 0.762E-02 0.127E-02
DAV: 2 -0.142844198224E+04 -0.34703E-05 -0.48296E-05 780 0.108E-02
17 F= -.14284420E+04 E0= -.14284583E+04 d E =-.578713E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844230651E+04 -0.32774E-03 -0.70832E-02 900 0.446E-01 0.580E-02
DAV: 2 -0.142844244314E+04 -0.13663E-03 -0.16707E-03 1020 0.598E-02 0.352E-02
DAV: 3 -0.142844243712E+04 0.60233E-05 -0.41667E-05 892 0.121E-02
18 F= -.14284424E+04 E0= -.14284588E+04 d E =-.454877E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844244227E+04 0.86780E-06 -0.13297E-01 890 0.610E-01 0.802E-02
DAV: 2 -0.142844268713E+04 -0.24486E-03 -0.30415E-03 1012 0.809E-02 0.481E-02
DAV: 3 -0.142844267701E+04 0.10122E-04 -0.85195E-05 1068 0.169E-02 0.283E-02
DAV: 4 -0.142844267753E+04 -0.51750E-06 -0.28897E-05 756 0.124E-02
19 F= -.14284427E+04 E0= -.14284590E+04 d E =-.695283E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844289695E+04 -0.21994E-03 -0.11111E-01 890 0.558E-01 0.726E-02
DAV: 2 -0.142844310800E+04 -0.21105E-03 -0.26123E-03 1004 0.757E-02 0.438E-02
DAV: 3 -0.142844309767E+04 0.10332E-04 -0.70533E-05 1036 0.160E-02 0.261E-02
DAV: 4 -0.142844309838E+04 -0.71778E-06 -0.26357E-05 708 0.110E-02
20 F= -.14284431E+04 E0= -.14284594E+04 d E =-.420859E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844310695E+04 -0.92813E-05 -0.44653E-02 900 0.354E-01 0.470E-02
DAV: 2 -0.142844319095E+04 -0.84005E-04 -0.10470E-03 1012 0.480E-02 0.281E-02
DAV: 3 -0.142844318687E+04 0.40874E-05 -0.25997E-05 748 0.102E-02
21 F= -.14284432E+04 E0= -.14284594E+04 d E =-.509340E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844343440E+04 -0.24345E-03 -0.81030E-02 890 0.479E-01 0.618E-02
DAV: 2 -0.142844357946E+04 -0.14506E-03 -0.18019E-03 1012 0.632E-02 0.395E-02
DAV: 3 -0.142844357107E+04 0.83886E-05 -0.49932E-05 980 0.136E-02
22 F= -.14284436E+04 E0= -.14284598E+04 d E =-.384209E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844358474E+04 -0.52819E-05 -0.57361E-02 890 0.403E-01 0.539E-02
DAV: 2 -0.142844368246E+04 -0.97712E-04 -0.12395E-03 1020 0.527E-02 0.341E-02
DAV: 3 -0.142844367707E+04 0.53843E-05 -0.36472E-05 876 0.116E-02
23 F= -.14284437E+04 E0= -.14284600E+04 d E =-.490207E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844388515E+04 -0.20269E-03 -0.87027E-02 890 0.496E-01 0.640E-02
DAV: 2 -0.142844403638E+04 -0.15123E-03 -0.19069E-03 1036 0.646E-02 0.407E-02
DAV: 3 -0.142844402697E+04 0.94065E-05 -0.45860E-05 996 0.130E-02
24 F= -.14284440E+04 E0= -.14284603E+04 d E =-.349901E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844400216E+04 0.34216E-04 -0.89133E-02 890 0.502E-01 0.658E-02
DAV: 2 -0.142844415255E+04 -0.15038E-03 -0.19181E-03 1036 0.650E-02 0.415E-02
DAV: 3 -0.142844414324E+04 0.93089E-05 -0.48338E-05 1004 0.133E-02
25 F= -.14284441E+04 E0= -.14284605E+04 d E =-.466165E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844431387E+04 -0.16132E-03 -0.10434E-01 890 0.541E-01 0.699E-02
DAV: 2 -0.142844449290E+04 -0.17903E-03 -0.22781E-03 1004 0.712E-02 0.458E-02
DAV: 3 -0.142844448070E+04 0.12191E-04 -0.61192E-05 1044 0.151E-02 0.270E-02
DAV: 4 -0.142844448066E+04 0.44813E-07 -0.29779E-05 780 0.112E-02
26 F= -.14284445E+04 E0= -.14284608E+04 d E =-.337423E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844449593E+04 -0.15223E-04 -0.37912E-02 890 0.326E-01 0.416E-02
DAV: 2 -0.142844456591E+04 -0.69982E-04 -0.86362E-04 1012 0.437E-02 0.271E-02
DAV: 3 -0.142844456094E+04 0.49675E-05 -0.18552E-05 708 0.919E-03
27 F= -.14284446E+04 E0= -.14284609E+04 d E =-.417704E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844477057E+04 -0.20467E-03 -0.75334E-02 890 0.461E-01 0.592E-02
DAV: 2 -0.142844490547E+04 -0.13489E-03 -0.16976E-03 1052 0.613E-02 0.390E-02
DAV: 3 -0.142844489510E+04 0.10365E-04 -0.41816E-05 956 0.128E-02 0.230E-02
DAV: 4 -0.142844489461E+04 0.49582E-06 -0.20925E-05 644 0.967E-03
28 F= -.14284449E+04 E0= -.14284612E+04 d E =-.333665E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844491804E+04 -0.22942E-04 -0.25058E-02 890 0.265E-01 0.340E-02
DAV: 2 -0.142844496563E+04 -0.47582E-04 -0.58345E-04 1044 0.358E-02 0.221E-02
DAV: 3 -0.142844496192E+04 0.37071E-05 -0.11677E-05 612 0.758E-03
29 F= -.14284450E+04 E0= -.14284612E+04 d E =-.400977E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844511548E+04 -0.14985E-03 -0.85725E-02 890 0.490E-01 0.620E-02
DAV: 2 -0.142844527018E+04 -0.15470E-03 -0.19266E-03 1020 0.644E-02 0.412E-02
DAV: 3 -0.142844525904E+04 0.11139E-04 -0.46800E-05 980 0.136E-02 0.245E-02
DAV: 4 -0.142844525889E+04 0.15490E-06 -0.24398E-05 732 0.101E-02
30 F= -.14284453E+04 E0= -.14284615E+04 d E =-.296967E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844527397E+04 -0.14927E-04 -0.23142E-02 890 0.254E-01 0.327E-02
DAV: 2 -0.142844531781E+04 -0.43841E-04 -0.53511E-04 1028 0.340E-02 0.214E-02
DAV: 3 -0.142844531460E+04 0.32127E-05 -0.10412E-05 588 0.728E-03
31 F= -.14284453E+04 E0= -.14284616E+04 d E =-.352676E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844543850E+04 -0.12069E-03 -0.93215E-02 890 0.511E-01 0.646E-02
DAV: 2 -0.142844560541E+04 -0.16691E-03 -0.20937E-03 1012 0.676E-02 0.432E-02
DAV: 3 -0.142844559270E+04 0.12709E-04 -0.50234E-05 996 0.142E-02 0.260E-02
DAV: 4 -0.142844559259E+04 0.10952E-06 -0.29949E-05 780 0.111E-02
32 F= -.14284456E+04 E0= -.14284619E+04 d E =-.277993E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844560802E+04 -0.15320E-04 -0.14110E-02 890 0.198E-01 0.261E-02
DAV: 2 -0.142844563468E+04 -0.26659E-04 -0.32923E-04 1012 0.269E-02 0.171E-02
DAV: 3 -0.142844563267E+04 0.20031E-05 -0.66506E-06 532 0.590E-03
33 F= -.14284456E+04 E0= -.14284619E+04 d E =-.318078E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844550758E+04 0.12709E-03 -0.55470E-02 890 0.394E-01 0.501E-02
DAV: 2 -0.142844560618E+04 -0.98596E-04 -0.12413E-03 1020 0.520E-02 0.335E-02
DAV: 3 -0.142844559852E+04 0.76617E-05 -0.27569E-05 796 0.109E-02
34 F= -.14284456E+04 E0= -.14284619E+04 d E =-.283922E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844558823E+04 0.17947E-04 -0.26611E-02 890 0.273E-01 0.314E-02
DAV: 2 -0.142844564348E+04 -0.55246E-04 -0.65758E-04 988 0.378E-02 0.222E-02
DAV: 3 -0.142844563888E+04 0.45949E-05 -0.12101E-05 604 0.771E-03
35 F= -.14284456E+04 E0= -.14284619E+04 d E =-.324288E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844572251E+04 -0.79035E-04 -0.59163E-02 890 0.406E-01 0.478E-02
DAV: 2 -0.142844583726E+04 -0.11475E-03 -0.13675E-03 972 0.543E-02 0.321E-02
DAV: 3 -0.142844582946E+04 0.78010E-05 -0.25664E-05 788 0.107E-02
36 F= -.14284458E+04 E0= -.14284621E+04 d E =-.190579E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844533026E+04 0.50700E-03 -0.40059E-01 890 0.106E+00 0.131E-01
DAV: 2 -0.142844604692E+04 -0.71665E-03 -0.87759E-03 996 0.137E-01 0.867E-02
DAV: 3 -0.142844600110E+04 0.45819E-04 -0.19060E-04 1076 0.275E-02 0.514E-02
DAV: 4 -0.142844600442E+04 -0.33226E-05 -0.11049E-04 980 0.217E-02 0.139E-02
DAV: 5 -0.142844600489E+04 -0.46438E-06 -0.21016E-05 700 0.999E-03
37 F= -.14284460E+04 E0= -.14284623E+04 d E =-.366003E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844611542E+04 -0.11100E-03 -0.89294E-02 890 0.498E-01 0.621E-02
DAV: 2 -0.142844628409E+04 -0.16867E-03 -0.20214E-03 964 0.658E-02 0.410E-02
DAV: 3 -0.142844627400E+04 0.10093E-04 -0.41146E-05 932 0.134E-02 0.247E-02
DAV: 4 -0.142844627470E+04 -0.70085E-06 -0.27335E-05 764 0.106E-02
38 F= -.14284463E+04 E0= -.14284625E+04 d E =-.269814E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844619556E+04 0.78443E-04 -0.14548E-01 890 0.636E-01 0.794E-02
DAV: 2 -0.142844646660E+04 -0.27104E-03 -0.32843E-03 964 0.841E-02 0.528E-02
DAV: 3 -0.142844644947E+04 0.17129E-04 -0.70475E-05 1036 0.173E-02 0.320E-02
DAV: 4 -0.142844645026E+04 -0.79240E-06 -0.45453E-05 900 0.136E-02
39 F= -.14284465E+04 E0= -.14284627E+04 d E =-.445375E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844665776E+04 -0.20830E-03 -0.35741E-02 890 0.319E-01 0.418E-02
DAV: 2 -0.142844672706E+04 -0.69292E-04 -0.85426E-04 1044 0.438E-02 0.275E-02
DAV: 3 -0.142844672145E+04 0.56070E-05 -0.19632E-05 700 0.965E-03
40 F= -.14284467E+04 E0= -.14284630E+04 d E =-.271189E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844666143E+04 0.65630E-04 -0.10227E-01 890 0.541E-01 0.710E-02
DAV: 2 -0.142844684732E+04 -0.18589E-03 -0.23476E-03 1036 0.727E-02 0.469E-02
DAV: 3 -0.142844683268E+04 0.14633E-04 -0.65671E-05 1052 0.159E-02 0.279E-02
DAV: 4 -0.142844683211E+04 0.57683E-06 -0.32398E-05 812 0.120E-02
41 F= -.14284468E+04 E0= -.14284630E+04 d E =-.381846E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844682999E+04 0.26972E-05 -0.91802E-03 890 0.162E-01 0.194E-02
DAV: 2 -0.142844684679E+04 -0.16800E-04 -0.21579E-04 1028 0.220E-02 0.137E-02
DAV: 3 -0.142844684496E+04 0.18283E-05 -0.52442E-06 484 0.471E-03
42 F= -.14284468E+04 E0= -.14284630E+04 d E =-.394698E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844699535E+04 -0.14856E-03 -0.22683E-02 890 0.254E-01 0.313E-02
DAV: 2 -0.142844703770E+04 -0.42350E-04 -0.52356E-04 1004 0.342E-02 0.208E-02
DAV: 3 -0.142844703440E+04 0.32925E-05 -0.11162E-05 564 0.726E-03
43 F= -.14284470E+04 E0= -.14284632E+04 d E =-.189446E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844694050E+04 0.97200E-04 -0.20169E-01 890 0.756E-01 0.979E-02
DAV: 2 -0.142844729398E+04 -0.35348E-03 -0.44619E-03 1020 0.998E-02 0.637E-02
DAV: 3 -0.142844726892E+04 0.25062E-04 -0.12135E-04 1076 0.219E-02 0.379E-02
DAV: 4 -0.142844726941E+04 -0.48637E-06 -0.60053E-05 964 0.160E-02
44 F= -.14284473E+04 E0= -.14284634E+04 d E =-.424447E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844743660E+04 -0.16768E-03 -0.50479E-02 890 0.377E-01 0.496E-02
DAV: 2 -0.142844752465E+04 -0.88050E-04 -0.11165E-03 1004 0.502E-02 0.324E-02
DAV: 3 -0.142844751822E+04 0.64286E-05 -0.27783E-05 796 0.115E-02
45 F= -.14284475E+04 E0= -.14284637E+04 d E =-.248819E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844694937E+04 0.57528E-03 -0.44049E-01 890 0.111E+00 0.145E-01
DAV: 2 -0.142844767923E+04 -0.72986E-03 -0.94534E-03 996 0.146E-01 0.955E-02
DAV: 3 -0.142844762310E+04 0.56135E-04 -0.26291E-04 1076 0.328E-02 0.566E-02
DAV: 4 -0.142844762498E+04 -0.18847E-05 -0.14274E-04 996 0.237E-02 0.164E-02
DAV: 5 -0.142844762510E+04 -0.12112E-06 -0.22565E-05 708 0.110E-02
46 F= -.14284476E+04 E0= -.14284637E+04 d E =-.355696E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844758730E+04 0.37681E-04 -0.74750E-02 890 0.459E-01 0.578E-02
DAV: 2 -0.142844770923E+04 -0.12193E-03 -0.16107E-03 996 0.604E-02 0.389E-02
DAV: 3 -0.142844769819E+04 0.11047E-04 -0.44769E-05 956 0.135E-02 0.231E-02
DAV: 4 -0.142844769693E+04 0.12590E-05 -0.23940E-05 644 0.984E-03
47 F= -.14284477E+04 E0= -.14284638E+04 d E =-.427522E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844788695E+04 -0.18876E-03 -0.89915E-02 890 0.505E-01 0.627E-02
DAV: 2 -0.142844804375E+04 -0.15680E-03 -0.19939E-03 996 0.670E-02 0.414E-02
DAV: 3 -0.142844803139E+04 0.12357E-04 -0.50993E-05 980 0.141E-02 0.245E-02
DAV: 4 -0.142844803064E+04 0.75875E-06 -0.25800E-05 700 0.109E-02
48 F= -.14284480E+04 E0= -.14284641E+04 d E =-.333709E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844806309E+04 -0.31693E-04 -0.56857E-02 890 0.401E-01 0.525E-02
DAV: 2 -0.142844816387E+04 -0.10079E-03 -0.12775E-03 1020 0.539E-02 0.335E-02
DAV: 3 -0.142844815654E+04 0.73332E-05 -0.30864E-05 836 0.117E-02
49 F= -.14284482E+04 E0= -.14284643E+04 d E =-.459613E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844768549E+04 0.47838E-03 -0.22508E-01 890 0.798E-01 0.104E-01
DAV: 2 -0.142844806611E+04 -0.38062E-03 -0.49054E-03 1020 0.105E-01 0.671E-02
DAV: 3 -0.142844803787E+04 0.28245E-04 -0.13216E-04 1060 0.227E-02 0.392E-02
DAV: 4 -0.142844803851E+04 -0.64249E-06 -0.66956E-05 996 0.170E-02
50 F= -.14284480E+04 E0= -.14284642E+04 d E =-.341581E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844796460E+04 0.73263E-04 -0.13254E-01 890 0.613E-01 0.751E-02
DAV: 2 -0.142844819401E+04 -0.22941E-03 -0.29292E-03 996 0.811E-02 0.501E-02
DAV: 3 -0.142844817542E+04 0.18592E-04 -0.76560E-05 1060 0.169E-02 0.294E-02
DAV: 4 -0.142844817325E+04 0.21709E-05 -0.36233E-05 828 0.125E-02
51 F= -.14284482E+04 E0= -.14284643E+04 d E =-.476319E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844837043E+04 -0.19501E-03 -0.93805E-02 890 0.514E-01 0.627E-02
DAV: 2 -0.142844852754E+04 -0.15710E-03 -0.20113E-03 988 0.668E-02 0.426E-02
DAV: 3 -0.142844851438E+04 0.13153E-04 -0.48760E-05 988 0.143E-02 0.253E-02
DAV: 4 -0.142844851345E+04 0.93161E-06 -0.29526E-05 796 0.109E-02
52 F= -.14284485E+04 E0= -.14284647E+04 d E =-.340204E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844855608E+04 -0.41702E-04 -0.97221E-02 890 0.522E-01 0.668E-02
DAV: 2 -0.142844872327E+04 -0.16718E-03 -0.21169E-03 988 0.687E-02 0.442E-02
DAV: 3 -0.142844871073E+04 0.12532E-04 -0.51606E-05 980 0.152E-02 0.266E-02
DAV: 4 -0.142844871107E+04 -0.33588E-06 -0.33855E-05 836 0.116E-02
53 F= -.14284487E+04 E0= -.14284649E+04 d E =-.537823E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844804285E+04 0.66789E-03 -0.38826E-01 890 0.104E+00 0.132E-01
DAV: 2 -0.142844870760E+04 -0.66475E-03 -0.84243E-03 988 0.137E-01 0.878E-02
DAV: 3 -0.142844865689E+04 0.50712E-04 -0.20884E-04 1084 0.301E-02 0.528E-02
DAV: 4 -0.142844865656E+04 0.33092E-06 -0.12961E-04 996 0.228E-02 0.154E-02
DAV: 5 -0.142844865703E+04 -0.47280E-06 -0.20404E-05 668 0.996E-03
54 F= -.14284487E+04 E0= -.14284648E+04 d E =-.483782E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844846961E+04 0.18694E-03 -0.19043E-01 890 0.731E-01 0.912E-02
DAV: 2 -0.142844878477E+04 -0.31516E-03 -0.40762E-03 988 0.955E-02 0.614E-02
DAV: 3 -0.142844875849E+04 0.26284E-04 -0.10512E-04 1076 0.209E-02 0.365E-02
DAV: 4 -0.142844875657E+04 0.19212E-05 -0.60344E-05 948 0.156E-02
55 F= -.14284488E+04 E0= -.14284649E+04 d E =-.583320E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844867332E+04 0.85166E-04 -0.47375E-02 890 0.365E-01 0.440E-02
DAV: 2 -0.142844875126E+04 -0.77940E-04 -0.10120E-03 988 0.474E-02 0.302E-02
DAV: 3 -0.142844874413E+04 0.71373E-05 -0.22800E-05 732 0.101E-02
56 F= -.14284487E+04 E0= -.14284649E+04 d E =-.570878E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844886697E+04 -0.11571E-03 -0.57451E-02 890 0.400E-01 0.520E-02
DAV: 2 -0.142844895658E+04 -0.89609E-04 -0.11606E-03 1004 0.508E-02 0.339E-02
DAV: 3 -0.142844895021E+04 0.63668E-05 -0.27714E-05 788 0.111E-02
57 F= -.14284490E+04 E0= -.14284651E+04 d E =-.206088E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844847104E+04 0.48554E-03 -0.52059E-01 890 0.120E+00 0.152E-01
DAV: 2 -0.142844932160E+04 -0.85056E-03 -0.10796E-02 996 0.154E-01 0.100E-01
DAV: 3 -0.142844925988E+04 0.61718E-04 -0.25811E-04 1068 0.328E-02 0.587E-02
DAV: 4 -0.142844926221E+04 -0.23332E-05 -0.14780E-04 1020 0.250E-02 0.164E-02
DAV: 5 -0.142844926214E+04 0.73705E-07 -0.26649E-05 708 0.115E-02
58 F= -.14284493E+04 E0= -.14284653E+04 d E =-.518012E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844954042E+04 -0.27821E-03 -0.19288E-02 890 0.234E-01 0.319E-02
DAV: 2 -0.142844957728E+04 -0.36861E-04 -0.45871E-04 1036 0.323E-02 0.198E-02
DAV: 3 -0.142844957428E+04 0.30007E-05 -0.11478E-05 572 0.712E-03
59 F= -.14284496E+04 E0= -.14284656E+04 d E =-.312142E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844965783E+04 -0.80555E-04 -0.14850E-01 890 0.650E-01 0.882E-02
DAV: 2 -0.142844992199E+04 -0.26416E-03 -0.34380E-03 1028 0.887E-02 0.556E-02
DAV: 3 -0.142844989782E+04 0.24178E-04 -0.10600E-04 1060 0.196E-02 0.319E-02
DAV: 4 -0.142844989474E+04 0.30729E-05 -0.41306E-05 916 0.135E-02
60 F= -.14284499E+04 E0= -.14284659E+04 d E =-.632606E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142845009809E+04 -0.20028E-03 -0.16723E-02 890 0.219E-01 0.300E-02
DAV: 2 -0.142845012617E+04 -0.28079E-04 -0.36798E-04 1012 0.294E-02 0.197E-02
DAV: 3 -0.142845012364E+04 0.25289E-05 -0.10633E-05 572 0.744E-03
61 F= -.14284501E+04 E0= -.14284661E+04 d E =-.228899E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142845022382E+04 -0.97651E-04 -0.14893E-01 890 0.653E-01 0.858E-02
DAV: 2 -0.142845045790E+04 -0.23408E-03 -0.31467E-03 1004 0.858E-02 0.578E-02
DAV: 3 -0.142845043713E+04 0.20775E-04 -0.10726E-04 1060 0.209E-02 0.343E-02
DAV: 4 -0.142845043496E+04 0.21648E-05 -0.51752E-05 916 0.141E-02
62 F= -.14284504E+04 E0= -.14284664E+04 d E =-.540220E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142845064474E+04 -0.20762E-03 -0.83799E-03 890 0.157E-01 0.223E-02
DAV: 2 -0.142845065889E+04 -0.14148E-04 -0.20447E-04 1052 0.225E-02 0.143E-02
DAV: 3 -0.142845065703E+04 0.18593E-05 -0.72114E-06 540 0.578E-03
63 F= -.14284507E+04 E0= -.14284667E+04 d E =-.222068E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142845075874E+04 -0.99855E-04 -0.32372E-02 890 0.308E-01 0.430E-02
DAV: 2 -0.142845081129E+04 -0.52545E-04 -0.75780E-04 1068 0.430E-02 0.281E-02
DAV: 3 -0.142845080406E+04 0.72292E-05 -0.28680E-05 756 0.107E-02
64 F= -.14284508E+04 E0= -.14284668E+04 d E =-.369098E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142845094970E+04 -0.13841E-03 -0.12017E-02 890 0.187E-01 0.279E-02
DAV: 2 -0.142845096899E+04 -0.19287E-04 -0.27438E-04 1060 0.255E-02 0.173E-02
DAV: 3 -0.142845096644E+04 0.25516E-05 -0.99306E-06 556 0.660E-03
65 F= -.14284510E+04 E0= -.14284670E+04 d E =-.162379E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142845100718E+04 -0.38192E-04 -0.18664E-02 890 0.234E-01 0.336E-02
DAV: 2 -0.142845103815E+04 -0.30967E-04 -0.42654E-04 1060 0.318E-02 0.209E-02
DAV: 3 -0.142845103430E+04 0.38552E-05 -0.14123E-05 628 0.792E-03
66 F= -.14284510E+04 E0= -.14284671E+04 d E =-.230235E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142845120374E+04 -0.16559E-03 -0.15467E-02 890 0.213E-01 0.300E-02
DAV: 2 -0.142845122789E+04 -0.24156E-04 -0.34411E-04 1052 0.292E-02 0.196E-02
DAV: 3 -0.142845122499E+04 0.28987E-05 -0.11942E-05 540 0.738E-03
67 F= -.14284512E+04 E0= -.14284673E+04 d E =-.190699E-03