./Stage_1/0.005_+e4 OSZICAR.out output for 746: MT amorphous(poly(oxydiphenylene_pyromellitide)) from job 738 (test-4)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.393521255399E+04 0.39352E+04 -0.28973E+05 896 0.111E+03
DAV: 2 -0.105521016105E+04 -0.49904E+04 -0.47965E+04 1160 0.297E+02
DAV: 3 -0.152663390674E+04 -0.47142E+03 -0.46645E+03 1032 0.968E+01
DAV: 4 -0.153848851323E+04 -0.11855E+02 -0.11805E+02 1096 0.165E+01
DAV: 5 -0.153888943886E+04 -0.40093E+00 -0.40048E+00 1128 0.280E+00 0.627E+01
DAV: 6 -0.144829063823E+04 0.90599E+02 -0.17326E+02 1000 0.197E+01 0.341E+01
DAV: 7 -0.143032770233E+04 0.17963E+02 -0.48346E+01 1064 0.114E+01 0.159E+01
DAV: 8 -0.142852611101E+04 0.18016E+01 -0.10581E+01 1048 0.498E+00 0.584E+00
DAV: 9 -0.142847403594E+04 0.52075E-01 -0.13560E+00 1072 0.238E+00 0.200E+00
DAV: 10 -0.142847014336E+04 0.38926E-02 -0.33993E-01 984 0.114E+00 0.737E-01
DAV: 11 -0.142847677960E+04 -0.66362E-02 -0.86729E-02 1024 0.509E-01 0.404E-01
DAV: 12 -0.142847778530E+04 -0.10057E-02 -0.12504E-02 1000 0.249E-01 0.231E-01
DAV: 13 -0.142847677102E+04 0.10143E-02 -0.60955E-03 976 0.215E-01 0.110E-01
DAV: 14 -0.142847506597E+04 0.17050E-02 -0.33899E-03 1088 0.158E-01 0.669E-02
DAV: 15 -0.142847453368E+04 0.53229E-03 -0.14677E-03 1040 0.887E-02 0.419E-02
DAV: 16 -0.142847435896E+04 0.17471E-03 -0.25357E-04 1064 0.390E-02 0.255E-02
DAV: 17 -0.142847426865E+04 0.90315E-04 -0.38775E-05 976 0.299E-02 0.123E-02
DAV: 18 -0.142847422920E+04 0.39444E-04 -0.43911E-05 1008 0.279E-02 0.810E-03
DAV: 19 -0.142847421149E+04 0.17713E-04 -0.46628E-05 1056 0.235E-02 0.606E-03
DAV: 20 -0.142847420359E+04 0.79049E-05 -0.20781E-05 824 0.157E-02
1 F= -.14284742E+04 E0= -.14284899E+04 d E =-.142847E+04
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142840228880E+04 0.71923E-01 -0.75877E+00 928 0.466E+00 0.759E-01
DAV: 2 -0.142842071455E+04 -0.18426E-01 -0.27227E-01 1096 0.798E-01 0.516E-01
DAV: 3 -0.142841734058E+04 0.33740E-02 -0.13317E-02 1056 0.213E-01 0.327E-01
DAV: 4 -0.142841596806E+04 0.13725E-02 -0.56366E-03 1032 0.147E-01 0.134E-01
DAV: 5 -0.142841591521E+04 0.52849E-04 -0.15481E-03 1008 0.722E-02 0.570E-02
DAV: 6 -0.142841590967E+04 0.55362E-05 -0.22623E-04 1064 0.270E-02 0.240E-02
DAV: 7 -0.142841590224E+04 0.74330E-05 -0.41332E-05 920 0.135E-02
2 F= -.14284159E+04 E0= -.14284324E+04 d E =0.583013E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142847068597E+04 -0.54776E-01 -0.46902E+00 920 0.366E+00 0.599E-01
DAV: 2 -0.142848185099E+04 -0.11165E-01 -0.17193E-01 1080 0.624E-01 0.404E-01
DAV: 3 -0.142847977208E+04 0.20789E-02 -0.67504E-03 1040 0.168E-01 0.255E-01
DAV: 4 -0.142847894389E+04 0.82819E-03 -0.35060E-03 1016 0.114E-01 0.102E-01
DAV: 5 -0.142847892342E+04 0.20469E-04 -0.91155E-04 1032 0.543E-02 0.440E-02
DAV: 6 -0.142847892123E+04 0.21961E-05 -0.11948E-04 1040 0.195E-02 0.181E-02
DAV: 7 -0.142847891683E+04 0.43989E-05 -0.20355E-05 680 0.100E-02
3 F= -.14284789E+04 E0= -.14284947E+04 d E =-.471324E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142848099371E+04 -0.20725E-02 -0.12300E+00 912 0.192E+00 0.296E-01
DAV: 2 -0.142848351337E+04 -0.25197E-02 -0.33679E-02 1032 0.289E-01 0.199E-01
DAV: 3 -0.142848314587E+04 0.36750E-03 -0.12825E-03 1048 0.783E-02 0.127E-01
DAV: 4 -0.142848309046E+04 0.55408E-04 -0.10743E-03 1016 0.624E-02 0.486E-02
DAV: 5 -0.142848308508E+04 0.53775E-05 -0.19718E-04 1088 0.297E-02 0.268E-02
DAV: 6 -0.142848308221E+04 0.28724E-05 -0.39585E-05 928 0.132E-02
4 F= -.14284831E+04 E0= -.14284992E+04 d E =-.416538E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142848327345E+04 -0.18837E-03 -0.49895E-02 912 0.387E-01 0.576E-02
DAV: 2 -0.142848336771E+04 -0.94261E-04 -0.13113E-03 1032 0.571E-02 0.398E-02
DAV: 3 -0.142848335233E+04 0.15375E-04 -0.51338E-05 1048 0.155E-02 0.254E-02
DAV: 4 -0.142848334921E+04 0.31221E-05 -0.40926E-05 904 0.120E-02
5 F= -.14284833E+04 E0= -.14284995E+04 d E =-.443239E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142848453059E+04 -0.11783E-02 -0.60074E-01 912 0.131E+00 0.193E-01
DAV: 2 -0.142848577395E+04 -0.12434E-02 -0.16693E-02 1056 0.190E-01 0.111E-01
DAV: 3 -0.142848564144E+04 0.13250E-03 -0.54724E-04 1040 0.476E-02 0.668E-02
DAV: 4 -0.142848563415E+04 0.72908E-05 -0.31504E-04 1040 0.350E-02 0.293E-02
DAV: 5 -0.142848563611E+04 -0.19549E-05 -0.59325E-05 1000 0.159E-02
6 F= -.14284856E+04 E0= -.14285017E+04 d E =-.228689E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142848567526E+04 -0.41111E-04 -0.99385E-03 912 0.168E-01 0.251E-02
DAV: 2 -0.142848569179E+04 -0.16523E-04 -0.26603E-04 1056 0.245E-02 0.147E-02
DAV: 3 -0.142848568880E+04 0.29889E-05 -0.11407E-05 544 0.691E-03
7 F= -.14284857E+04 E0= -.14285017E+04 d E =-.233958E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142848649607E+04 -0.80429E-03 -0.95320E-02 912 0.525E-01 0.709E-02
DAV: 2 -0.142848668854E+04 -0.19247E-03 -0.24286E-03 1056 0.741E-02 0.416E-02
DAV: 3 -0.142848667633E+04 0.12211E-04 -0.74793E-05 1056 0.162E-02 0.247E-02
DAV: 4 -0.142848667375E+04 0.25810E-05 -0.24378E-05 648 0.107E-02
8 F= -.14284867E+04 E0= -.14285027E+04 d E =-.984953E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142848679948E+04 -0.12315E-03 -0.41909E-02 912 0.348E-01 0.495E-02
DAV: 2 -0.142848688242E+04 -0.82943E-04 -0.10573E-03 1056 0.490E-02 0.283E-02
DAV: 3 -0.142848687713E+04 0.52924E-05 -0.30670E-05 760 0.110E-02
9 F= -.14284869E+04 E0= -.14285028E+04 d E =-.118833E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142848754788E+04 -0.66545E-03 -0.99004E-02 912 0.532E-01 0.732E-02
DAV: 2 -0.142848774270E+04 -0.19483E-03 -0.24625E-03 1032 0.738E-02 0.477E-02
DAV: 3 -0.142848772944E+04 0.13260E-04 -0.71395E-05 1088 0.167E-02 0.300E-02
DAV: 4 -0.142848772661E+04 0.28335E-05 -0.42479E-05 864 0.126E-02
10 F= -.14284877E+04 E0= -.14285037E+04 d E =-.849481E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142848781374E+04 -0.84293E-04 -0.42028E-02 912 0.347E-01 0.484E-02
DAV: 2 -0.142848790021E+04 -0.86472E-04 -0.10728E-03 1032 0.488E-02 0.318E-02
DAV: 3 -0.142848789408E+04 0.61277E-05 -0.28296E-05 768 0.112E-02
11 F= -.14284879E+04 E0= -.14285039E+04 d E =-.101695E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142848840920E+04 -0.50899E-03 -0.88520E-02 912 0.497E-01 0.714E-02
DAV: 2 -0.142848858538E+04 -0.17618E-03 -0.22024E-03 1032 0.689E-02 0.401E-02
DAV: 3 -0.142848857752E+04 0.78584E-05 -0.67364E-05 1016 0.155E-02
12 F= -.14284886E+04 E0= -.14285046E+04 d E =-.683440E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142848865369E+04 -0.68305E-04 -0.85709E-02 912 0.488E-01 0.730E-02
DAV: 2 -0.142848881354E+04 -0.15985E-03 -0.20577E-03 1032 0.666E-02 0.413E-02
DAV: 3 -0.142848880642E+04 0.71152E-05 -0.67819E-05 1016 0.153E-02
13 F= -.14284888E+04 E0= -.14285048E+04 d E =-.912341E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142848914786E+04 -0.33433E-03 -0.54262E-02 912 0.391E-01 0.551E-02
DAV: 2 -0.142848924347E+04 -0.95612E-04 -0.12511E-03 1048 0.541E-02 0.342E-02
DAV: 3 -0.142848923728E+04 0.61932E-05 -0.37385E-05 848 0.128E-02
14 F= -.14284892E+04 E0= -.14285053E+04 d E =-.430859E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142848927379E+04 -0.30313E-04 -0.59383E-02 912 0.409E-01 0.575E-02
DAV: 2 -0.142848937773E+04 -0.10394E-03 -0.13531E-03 1056 0.558E-02 0.360E-02
DAV: 3 -0.142848937094E+04 0.67870E-05 -0.38544E-05 856 0.127E-02
15 F= -.14284894E+04 E0= -.14285054E+04 d E =-.564517E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142848966528E+04 -0.28756E-03 -0.68630E-02 912 0.439E-01 0.584E-02
DAV: 2 -0.142848977897E+04 -0.11368E-03 -0.14395E-03 1032 0.565E-02 0.357E-02
DAV: 3 -0.142848977338E+04 0.55815E-05 -0.39087E-05 872 0.118E-02
16 F= -.14284898E+04 E0= -.14285059E+04 d E =-.402446E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142848980559E+04 -0.26620E-04 -0.64309E-02 896 0.425E-01 0.563E-02
DAV: 2 -0.142848991131E+04 -0.10573E-03 -0.13327E-03 1040 0.544E-02 0.342E-02
DAV: 3 -0.142848990615E+04 0.51657E-05 -0.35698E-05 808 0.116E-02
17 F= -.14284899E+04 E0= -.14285061E+04 d E =-.535210E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142849025116E+04 -0.33984E-03 -0.76655E-02 896 0.466E-01 0.609E-02
DAV: 2 -0.142849037953E+04 -0.12838E-03 -0.16441E-03 1024 0.607E-02 0.386E-02
DAV: 3 -0.142849037264E+04 0.68970E-05 -0.49088E-05 1008 0.131E-02
18 F= -.14284904E+04 E0= -.14285066E+04 d E =-.466488E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142849039373E+04 -0.14198E-04 -0.12025E-01 896 0.583E-01 0.773E-02
DAV: 2 -0.142849059081E+04 -0.19708E-03 -0.25581E-03 1024 0.759E-02 0.488E-02
DAV: 3 -0.142849057997E+04 0.10838E-04 -0.79115E-05 1088 0.165E-02 0.284E-02
DAV: 4 -0.142849057850E+04 0.14698E-05 -0.27743E-05 736 0.116E-02
19 F= -.14284906E+04 E0= -.14285068E+04 d E =-.672353E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142849085849E+04 -0.27852E-03 -0.55944E-02 912 0.398E-01 0.513E-02
DAV: 2 -0.142849095511E+04 -0.96621E-04 -0.12017E-03 1032 0.518E-02 0.317E-02
DAV: 3 -0.142849094989E+04 0.52207E-05 -0.30710E-05 792 0.109E-02
20 F= -.14284909E+04 E0= -.14285072E+04 d E =-.371391E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142849069900E+04 0.25612E-03 -0.36091E-01 896 0.101E+00 0.130E-01
DAV: 2 -0.142849130383E+04 -0.60484E-03 -0.76041E-03 1024 0.130E-01 0.816E-02
DAV: 3 -0.142849127136E+04 0.32468E-04 -0.22043E-04 1072 0.272E-02 0.472E-02
DAV: 4 -0.142849127057E+04 0.78961E-06 -0.76451E-05 1024 0.191E-02
21 F= -.14284913E+04 E0= -.14285075E+04 d E =-.692072E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142849124195E+04 0.29418E-04 -0.21410E-02 896 0.247E-01 0.287E-02
DAV: 2 -0.142849127824E+04 -0.36294E-04 -0.46251E-04 1024 0.321E-02 0.193E-02
DAV: 3 -0.142849127533E+04 0.29138E-05 -0.11190E-05 536 0.648E-03
22 F= -.14284913E+04 E0= -.14285075E+04 d E =-.696824E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142849161292E+04 -0.33468E-03 -0.89253E-02 896 0.505E-01 0.626E-02
DAV: 2 -0.142849176821E+04 -0.15529E-03 -0.19648E-03 1024 0.673E-02 0.420E-02
DAV: 3 -0.142849175662E+04 0.11593E-04 -0.52160E-05 1024 0.151E-02 0.258E-02
DAV: 4 -0.142849175539E+04 0.12303E-05 -0.28461E-05 776 0.109E-02
23 F= -.14284918E+04 E0= -.14285080E+04 d E =-.480061E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142849180461E+04 -0.47998E-04 -0.97534E-02 896 0.528E-01 0.686E-02
DAV: 2 -0.142849197025E+04 -0.16563E-03 -0.21149E-03 1024 0.700E-02 0.451E-02
DAV: 3 -0.142849195874E+04 0.11506E-04 -0.58253E-05 1040 0.161E-02 0.276E-02
DAV: 4 -0.142849195856E+04 0.18108E-06 -0.32910E-05 832 0.117E-02
24 F= -.14284920E+04 E0= -.14285082E+04 d E =-.683236E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142849224206E+04 -0.28331E-03 -0.89123E-02 896 0.504E-01 0.654E-02
DAV: 2 -0.142849239413E+04 -0.15207E-03 -0.19263E-03 1032 0.661E-02 0.425E-02
DAV: 3 -0.142849238345E+04 0.10683E-04 -0.49392E-05 1016 0.145E-02 0.251E-02
DAV: 4 -0.142849238392E+04 -0.46926E-06 -0.28754E-05 768 0.108E-02
25 F= -.14284924E+04 E0= -.14285086E+04 d E =-.425355E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142849239798E+04 -0.14533E-04 -0.12897E-01 896 0.606E-01 0.778E-02
DAV: 2 -0.142849261945E+04 -0.22147E-03 -0.27809E-03 1024 0.793E-02 0.505E-02
DAV: 3 -0.142849260412E+04 0.15327E-04 -0.71444E-05 1080 0.175E-02 0.300E-02
DAV: 4 -0.142849260421E+04 -0.82742E-07 -0.40265E-05 904 0.131E-02
26 F= -.14284926E+04 E0= -.14285089E+04 d E =-.645645E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142849284719E+04 -0.24306E-03 -0.10079E-01 896 0.534E-01 0.706E-02
DAV: 2 -0.142849302168E+04 -0.17450E-03 -0.22181E-03 1032 0.709E-02 0.449E-02
DAV: 3 -0.142849300899E+04 0.12691E-04 -0.59396E-05 1048 0.155E-02 0.264E-02
DAV: 4 -0.142849300884E+04 0.15010E-06 -0.28432E-05 776 0.111E-02
27 F= -.14284930E+04 E0= -.14285093E+04 d E =-.404636E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142849299901E+04 0.99822E-05 -0.10849E-01 896 0.554E-01 0.728E-02
DAV: 2 -0.142849318735E+04 -0.18834E-03 -0.23788E-03 1024 0.733E-02 0.464E-02
DAV: 3 -0.142849317379E+04 0.13561E-04 -0.62370E-05 1064 0.158E-02 0.273E-02
DAV: 4 -0.142849317355E+04 0.23864E-06 -0.29689E-05 784 0.113E-02
28 F= -.14284932E+04 E0= -.14285095E+04 d E =-.569341E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142849339285E+04 -0.21906E-03 -0.10443E-01 896 0.542E-01 0.713E-02
DAV: 2 -0.142849357339E+04 -0.18054E-03 -0.22797E-03 1016 0.718E-02 0.467E-02
DAV: 3 -0.142849356067E+04 0.12721E-04 -0.58258E-05 1072 0.162E-02 0.282E-02
DAV: 4 -0.142849356089E+04 -0.22733E-06 -0.33957E-05 840 0.117E-02
29 F= -.14284936E+04 E0= -.14285099E+04 d E =-.387344E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142849351948E+04 0.41182E-04 -0.13297E-01 896 0.611E-01 0.811E-02
DAV: 2 -0.142849374835E+04 -0.22886E-03 -0.29085E-03 1016 0.813E-02 0.531E-02
DAV: 3 -0.142849373214E+04 0.16206E-04 -0.75725E-05 1080 0.184E-02 0.321E-02
DAV: 4 -0.142849373229E+04 -0.14522E-06 -0.43986E-05 920 0.134E-02
30 F= -.14284937E+04 E0= -.14285100E+04 d E =-.558739E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142849392695E+04 -0.19481E-03 -0.13619E-01 896 0.616E-01 0.815E-02
DAV: 2 -0.142849415608E+04 -0.22913E-03 -0.29029E-03 1024 0.809E-02 0.520E-02
DAV: 3 -0.142849414049E+04 0.15592E-04 -0.72247E-05 1080 0.176E-02 0.307E-02
DAV: 4 -0.142849414122E+04 -0.72812E-06 -0.36701E-05 872 0.125E-02
31 F= -.14284941E+04 E0= -.14285104E+04 d E =-.408932E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142849419338E+04 -0.52883E-04 -0.19566E-02 896 0.233E-01 0.325E-02
DAV: 2 -0.142849422701E+04 -0.33636E-04 -0.42192E-04 1032 0.310E-02 0.201E-02
DAV: 3 -0.142849422489E+04 0.21258E-05 -0.91832E-06 536 0.695E-03
32 F= -.14284942E+04 E0= -.14285105E+04 d E =-.492597E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142849415871E+04 0.68302E-04 -0.77344E-02 896 0.464E-01 0.618E-02
DAV: 2 -0.142849428425E+04 -0.12554E-03 -0.16069E-03 1024 0.600E-02 0.396E-02
DAV: 3 -0.142849427573E+04 0.85194E-05 -0.40615E-05 984 0.128E-02
33 F= -.14284943E+04 E0= -.14285105E+04 d E =-.543442E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142849438270E+04 -0.98449E-04 -0.14512E-01 896 0.634E-01 0.829E-02
DAV: 2 -0.142849460850E+04 -0.22581E-03 -0.29059E-03 1000 0.802E-02 0.540E-02
DAV: 3 -0.142849459289E+04 0.15617E-04 -0.75067E-05 1088 0.171E-02 0.305E-02
DAV: 4 -0.142849459356E+04 -0.66949E-06 -0.34624E-05 856 0.119E-02
34 F= -.14284946E+04 E0= -.14285108E+04 d E =-.317826E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142849460040E+04 -0.75173E-05 -0.52559E-02 896 0.381E-01 0.491E-02
DAV: 2 -0.142849468873E+04 -0.88324E-04 -0.10933E-03 1000 0.491E-02 0.318E-02
DAV: 3 -0.142849468273E+04 0.60017E-05 -0.23136E-05 792 0.105E-02
35 F= -.14284947E+04 E0= -.14285109E+04 d E =-.406996E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142849432676E+04 0.36197E-03 -0.20764E-01 896 0.758E-01 0.977E-02
DAV: 2 -0.142849465474E+04 -0.32798E-03 -0.41834E-03 1000 0.961E-02 0.638E-02
DAV: 3 -0.142849463167E+04 0.23069E-04 -0.10447E-04 1096 0.204E-02 0.363E-02
DAV: 4 -0.142849463193E+04 -0.25715E-06 -0.50019E-05 976 0.143E-02
36 F= -.14284946E+04 E0= -.14285110E+04 d E =-.356198E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142849453964E+04 0.92028E-04 -0.11059E-01 896 0.554E-01 0.682E-02
DAV: 2 -0.142849471503E+04 -0.17539E-03 -0.22642E-03 984 0.707E-02 0.458E-02
DAV: 3 -0.142849470054E+04 0.14491E-04 -0.55767E-05 1024 0.147E-02 0.261E-02
DAV: 4 -0.142849469950E+04 0.10424E-05 -0.26093E-05 720 0.105E-02
37 F= -.14284947E+04 E0= -.14285110E+04 d E =-.423770E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142849491085E+04 -0.21031E-03 -0.10471E-01 896 0.542E-01 0.675E-02
DAV: 2 -0.142849508868E+04 -0.17782E-03 -0.22575E-03 1016 0.708E-02 0.447E-02
DAV: 3 -0.142849507456E+04 0.14120E-04 -0.56507E-05 1024 0.144E-02 0.259E-02
DAV: 4 -0.142849507309E+04 0.14718E-05 -0.24784E-05 656 0.103E-02
38 F= -.14284951E+04 E0= -.14285114E+04 d E =-.373586E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142849510456E+04 -0.30002E-04 -0.46742E-02 896 0.361E-01 0.470E-02
DAV: 2 -0.142849518575E+04 -0.81193E-04 -0.10144E-03 1024 0.475E-02 0.301E-02
DAV: 3 -0.142849518019E+04 0.55595E-05 -0.23177E-05 768 0.997E-03
39 F= -.14284952E+04 E0= -.14285115E+04 d E =-.480693E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142849477242E+04 0.41333E-03 -0.18512E-01 896 0.719E-01 0.933E-02
DAV: 2 -0.142849507919E+04 -0.30677E-03 -0.39098E-03 1024 0.932E-02 0.606E-02
DAV: 3 -0.142849505773E+04 0.21455E-04 -0.10387E-04 1088 0.196E-02 0.346E-02
DAV: 4 -0.142849505750E+04 0.23571E-06 -0.46142E-05 952 0.137E-02
40 F= -.14284951E+04 E0= -.14285113E+04 d E =-.357997E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142849501108E+04 0.46652E-04 -0.11733E-01 896 0.573E-01 0.710E-02
DAV: 2 -0.142849520870E+04 -0.19762E-03 -0.25252E-03 1000 0.749E-02 0.474E-02
DAV: 3 -0.142849519285E+04 0.15847E-04 -0.64888E-05 1072 0.153E-02 0.273E-02
DAV: 4 -0.142849519118E+04 0.16681E-05 -0.26525E-05 696 0.107E-02
41 F= -.14284952E+04 E0= -.14285115E+04 d E =-.491684E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142849538307E+04 -0.19022E-03 -0.96602E-02 896 0.520E-01 0.641E-02
DAV: 2 -0.142849554847E+04 -0.16540E-03 -0.20773E-03 984 0.678E-02 0.436E-02
DAV: 3 -0.142849553553E+04 0.12934E-04 -0.49473E-05 968 0.144E-02 0.263E-02
DAV: 4 -0.142849553461E+04 0.92662E-06 -0.27934E-05 768 0.110E-02
42 F= -.14284955E+04 E0= -.14285118E+04 d E =-.343420E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142849554586E+04 -0.10330E-04 -0.94352E-02 896 0.514E-01 0.663E-02
DAV: 2 -0.142849571020E+04 -0.16433E-03 -0.20448E-03 1000 0.676E-02 0.437E-02
DAV: 3 -0.142849569906E+04 0.11135E-04 -0.49269E-05 984 0.147E-02 0.265E-02
DAV: 4 -0.142849569936E+04 -0.29660E-06 -0.28298E-05 776 0.110E-02
43 F= -.14284957E+04 E0= -.14285120E+04 d E =-.508173E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142849595541E+04 -0.25635E-03 -0.80257E-02 896 0.474E-01 0.621E-02
DAV: 2 -0.142849609271E+04 -0.13730E-03 -0.17624E-03 1040 0.633E-02 0.400E-02
DAV: 3 -0.142849608261E+04 0.10101E-04 -0.47150E-05 992 0.138E-02 0.238E-02
DAV: 4 -0.142849608283E+04 -0.22320E-06 -0.23835E-05 680 0.101E-02
44 F= -.14284961E+04 E0= -.14285124E+04 d E =-.383473E-03