./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 0.397179398472E+04 0.39718E+04 -0.28903E+05 890 0.112E+03
DAV: 2 -0.104808021516E+04 -0.50199E+04 -0.48388E+04 1132 0.299E+02
DAV: 3 -0.152522969605E+04 -0.47715E+03 -0.47190E+03 1036 0.977E+01
DAV: 4 -0.153748570010E+04 -0.12256E+02 -0.12203E+02 1092 0.168E+01
DAV: 5 -0.153786738635E+04 -0.38169E+00 -0.38103E+00 1108 0.279E+00 0.624E+01
DAV: 6 -0.144818517705E+04 0.89682E+02 -0.17374E+02 996 0.197E+01 0.340E+01
DAV: 7 -0.143045214567E+04 0.17733E+02 -0.47876E+01 1060 0.114E+01 0.159E+01
DAV: 8 -0.142861310622E+04 0.18390E+01 -0.10629E+01 1036 0.498E+00 0.578E+00
DAV: 9 -0.142856182312E+04 0.51283E-01 -0.12661E+00 1044 0.235E+00 0.195E+00
DAV: 10 -0.142856013454E+04 0.16886E-02 -0.33656E-01 980 0.113E+00 0.618E-01
DAV: 11 -0.142856679792E+04 -0.66634E-02 -0.61152E-02 1028 0.455E-01 0.340E-01
DAV: 12 -0.142856803126E+04 -0.12333E-02 -0.96672E-03 988 0.237E-01 0.192E-01
DAV: 13 -0.142856673807E+04 0.12932E-02 -0.39362E-03 1004 0.179E-01 0.117E-01
DAV: 14 -0.142856519039E+04 0.15477E-02 -0.22486E-03 1028 0.128E-01 0.630E-02
DAV: 15 -0.142856461080E+04 0.57959E-03 -0.10000E-03 1044 0.788E-02 0.376E-02
DAV: 16 -0.142856445451E+04 0.15629E-03 -0.25072E-04 1132 0.415E-02 0.243E-02
DAV: 17 -0.142856439876E+04 0.55748E-04 -0.38589E-05 956 0.238E-02 0.123E-02
DAV: 18 -0.142856436847E+04 0.30290E-04 -0.84549E-06 820 0.225E-02 0.678E-03
DAV: 19 -0.142856435983E+04 0.86381E-05 -0.39264E-05 988 0.168E-02
1 F= -.14285644E+04 E0= -.14285813E+04 d E =-.142856E+04
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142839127999E+04 0.17309E+00 -0.20829E+01 916 0.763E+00 0.137E+00
DAV: 2 -0.142844335611E+04 -0.52076E-01 -0.76491E-01 1068 0.128E+00 0.815E-01
DAV: 3 -0.142843343366E+04 0.99224E-02 -0.24000E-02 1028 0.300E-01 0.486E-01
DAV: 4 -0.142843097254E+04 0.24611E-02 -0.13966E-02 1020 0.222E-01 0.172E-01
DAV: 5 -0.142843095297E+04 0.19570E-04 -0.27889E-03 1076 0.102E-01 0.866E-02
DAV: 6 -0.142843092183E+04 0.31147E-04 -0.55259E-04 1012 0.461E-02 0.399E-02
DAV: 7 -0.142843089125E+04 0.30579E-04 -0.11021E-04 1028 0.216E-02 0.211E-02
DAV: 8 -0.142843087869E+04 0.12557E-04 -0.30154E-05 868 0.139E-02 0.812E-03
DAV: 9 -0.142843087211E+04 0.65863E-05 -0.81626E-06 652 0.963E-03
2 F= -.14284309E+04 E0= -.14284468E+04 d E =0.133488E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142855551430E+04 -0.12464E+00 -0.11863E+01 908 0.578E+00 0.103E+00
DAV: 2 -0.142858684884E+04 -0.31335E-01 -0.45847E-01 1068 0.977E-01 0.629E-01
DAV: 3 -0.142858110768E+04 0.57412E-02 -0.13306E-02 1036 0.224E-01 0.390E-01
DAV: 4 -0.142857952334E+04 0.15843E-02 -0.90583E-03 1012 0.175E-01 0.137E-01
DAV: 5 -0.142857951892E+04 0.44119E-05 -0.17045E-03 1036 0.795E-02 0.681E-02
DAV: 6 -0.142857950206E+04 0.16866E-04 -0.37081E-04 1028 0.369E-02 0.314E-02
DAV: 7 -0.142857948383E+04 0.18232E-04 -0.63562E-05 1004 0.165E-02 0.169E-02
DAV: 8 -0.142857947809E+04 0.57379E-05 -0.21155E-05 724 0.906E-03
3 F= -.14285795E+04 E0= -.14285959E+04 d E =-.151183E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142859018396E+04 -0.10700E-01 -0.48325E+00 890 0.379E+00 0.625E-01
DAV: 2 -0.142859857657E+04 -0.83926E-02 -0.12890E-01 1028 0.568E-01 0.435E-01
DAV: 3 -0.142859664888E+04 0.19277E-02 -0.56749E-03 1028 0.164E-01 0.272E-01
DAV: 4 -0.142859635814E+04 0.29074E-03 -0.50029E-03 1004 0.121E-01 0.991E-02
DAV: 5 -0.142859631881E+04 0.39323E-04 -0.53909E-04 1116 0.515E-02 0.492E-02
DAV: 6 -0.142859631312E+04 0.56919E-05 -0.16816E-04 1036 0.254E-02 0.246E-02
DAV: 7 -0.142859630825E+04 0.48730E-05 -0.32859E-05 788 0.128E-02
4 F= -.14285963E+04 E0= -.14286125E+04 d E =-.168302E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142859809154E+04 -0.17784E-02 -0.30523E-01 900 0.952E-01 0.157E-01
DAV: 2 -0.142859859610E+04 -0.50456E-03 -0.81052E-03 1028 0.142E-01 0.109E-01
DAV: 3 -0.142859847086E+04 0.12524E-03 -0.35003E-04 1028 0.409E-02 0.685E-02
DAV: 4 -0.142859845106E+04 0.19804E-04 -0.31293E-04 1004 0.302E-02 0.249E-02
DAV: 5 -0.142859844757E+04 0.34912E-05 -0.31532E-05 788 0.127E-02
5 F= -.14285984E+04 E0= -.14286147E+04 d E =-.189695E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142857623577E+04 0.22215E-01 -0.53234E+00 890 0.395E+00 0.616E-01
DAV: 2 -0.142858569137E+04 -0.94556E-02 -0.14904E-01 1052 0.581E-01 0.367E-01
DAV: 3 -0.142858401132E+04 0.16800E-02 -0.54983E-03 1044 0.147E-01 0.220E-01
DAV: 4 -0.142858375844E+04 0.25288E-03 -0.29772E-03 1020 0.997E-02 0.848E-02
DAV: 5 -0.142858376454E+04 -0.60963E-05 -0.47330E-04 1044 0.452E-02 0.360E-02
DAV: 6 -0.142858375944E+04 0.50997E-05 -0.73827E-05 1004 0.173E-02
6 F= -.14285838E+04 E0= -.14286004E+04 d E =0.146881E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142860121086E+04 -0.17446E-01 -0.22437E+00 890 0.257E+00 0.400E-01
DAV: 2 -0.142860518940E+04 -0.39785E-02 -0.63938E-02 1052 0.378E-01 0.240E-01
DAV: 3 -0.142860446289E+04 0.72651E-03 -0.22884E-03 1044 0.955E-02 0.146E-01
DAV: 4 -0.142860435355E+04 0.10934E-03 -0.12925E-03 1036 0.642E-02 0.565E-02
DAV: 5 -0.142860435930E+04 -0.57527E-05 -0.19664E-04 1036 0.288E-02 0.232E-02
DAV: 6 -0.142860435749E+04 0.18179E-05 -0.28784E-05 740 0.105E-02
7 F= -.14286044E+04 E0= -.14286209E+04 d E =-.590992E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142860483811E+04 -0.47881E-03 -0.52366E-01 900 0.126E+00 0.174E-01
DAV: 2 -0.142860599632E+04 -0.11582E-02 -0.15160E-02 1052 0.189E-01 0.112E-01
DAV: 3 -0.142860588144E+04 0.11488E-03 -0.58682E-04 1068 0.447E-02 0.676E-02
DAV: 4 -0.142860584180E+04 0.39644E-04 -0.21612E-04 1020 0.302E-02 0.230E-02
DAV: 5 -0.142860583996E+04 0.18373E-05 -0.44164E-05 892 0.142E-02
8 F= -.14286058E+04 E0= -.14286222E+04 d E =-.148247E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142860611531E+04 -0.27352E-03 -0.49778E-02 900 0.387E-01 0.532E-02
DAV: 2 -0.142860621759E+04 -0.10227E-03 -0.14169E-03 1052 0.582E-02 0.348E-02
DAV: 3 -0.142860620621E+04 0.11377E-04 -0.60638E-05 1044 0.141E-02 0.210E-02
DAV: 4 -0.142860620206E+04 0.41515E-05 -0.18377E-05 604 0.914E-03
9 F= -.14286062E+04 E0= -.14286226E+04 d E =-.184457E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142860664297E+04 -0.43676E-03 -0.46923E-01 900 0.118E+00 0.156E-01
DAV: 2 -0.142860753736E+04 -0.89440E-03 -0.11571E-02 1036 0.161E-01 0.103E-01
DAV: 3 -0.142860746006E+04 0.77299E-04 -0.42182E-04 1060 0.389E-02 0.632E-02
DAV: 4 -0.142860743912E+04 0.20944E-04 -0.16028E-04 1020 0.256E-02 0.229E-02
DAV: 5 -0.142860743939E+04 -0.26762E-06 -0.35827E-05 812 0.126E-02
10 F= -.14286074E+04 E0= -.14286238E+04 d E =-.123733E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142860751907E+04 -0.79949E-04 -0.24498E-02 900 0.270E-01 0.351E-02
DAV: 2 -0.142860756209E+04 -0.43020E-04 -0.59399E-04 1036 0.368E-02 0.240E-02
DAV: 3 -0.142860755705E+04 0.50374E-05 -0.22075E-05 668 0.915E-03
11 F= -.14286076E+04 E0= -.14286239E+04 d E =-.135499E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142860753179E+04 0.30297E-04 -0.42401E-01 890 0.112E+00 0.149E-01
DAV: 2 -0.142860844592E+04 -0.91413E-03 -0.11185E-02 1028 0.158E-01 0.886E-02
DAV: 3 -0.142860839488E+04 0.51044E-04 -0.34651E-04 1052 0.346E-02 0.543E-02
DAV: 4 -0.142860838931E+04 0.55711E-05 -0.12058E-04 1012 0.222E-02 0.203E-02
DAV: 5 -0.142860839087E+04 -0.15657E-05 -0.26036E-05 724 0.112E-02
12 F= -.14286084E+04 E0= -.14286247E+04 d E =-.833822E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142860843601E+04 -0.46702E-04 -0.24800E-02 900 0.270E-01 0.351E-02
DAV: 2 -0.142860848637E+04 -0.50357E-04 -0.64339E-04 1028 0.382E-02 0.221E-02
DAV: 3 -0.142860848250E+04 0.38645E-05 -0.20454E-05 692 0.861E-03
13 F= -.14286085E+04 E0= -.14286248E+04 d E =-.925451E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142860879904E+04 -0.31267E-03 -0.19372E-01 900 0.741E-01 0.959E-02
DAV: 2 -0.142860918335E+04 -0.38432E-03 -0.47422E-03 1036 0.104E-01 0.575E-02
DAV: 3 -0.142860915791E+04 0.25442E-04 -0.13117E-04 1060 0.219E-02 0.349E-02
DAV: 4 -0.142860915417E+04 0.37423E-05 -0.58123E-05 988 0.155E-02
14 F= -.14286092E+04 E0= -.14286254E+04 d E =-.671663E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142860915600E+04 0.19053E-05 -0.74335E-05 892 0.153E-02 0.648E-03
DAV: 2 -0.142860915581E+04 0.19006E-06 -0.42383E-06 508 0.419E-03
15 F= -.14286092E+04 E0= -.14286254E+04 d E =-.673310E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142860943682E+04 -0.28082E-03 -0.15389E-01 890 0.655E-01 0.844E-02
DAV: 2 -0.142860973524E+04 -0.29842E-03 -0.36589E-03 1020 0.887E-02 0.514E-02
DAV: 3 -0.142860971891E+04 0.16334E-04 -0.10258E-04 1068 0.181E-02 0.305E-02
DAV: 4 -0.142860971604E+04 0.28687E-05 -0.31485E-05 788 0.126E-02
16 F= -.14286097E+04 E0= -.14286259E+04 d E =-.560225E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142860972531E+04 -0.64040E-05 -0.29513E-03 900 0.904E-02 0.142E-02
DAV: 2 -0.142860973047E+04 -0.51598E-05 -0.68628E-05 924 0.125E-02
17 F= -.14286097E+04 E0= -.14286260E+04 d E =-.574658E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861005439E+04 -0.32908E-03 -0.66873E-02 900 0.433E-01 0.570E-02
DAV: 2 -0.142861018304E+04 -0.12865E-03 -0.15739E-03 1028 0.583E-02 0.347E-02
DAV: 3 -0.142861017675E+04 0.62906E-05 -0.37436E-05 892 0.116E-02
18 F= -.14286102E+04 E0= -.14286264E+04 d E =-.446275E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861016645E+04 0.16589E-04 -0.15103E-01 890 0.650E-01 0.855E-02
DAV: 2 -0.142861044555E+04 -0.27910E-03 -0.34597E-03 1028 0.867E-02 0.514E-02
DAV: 3 -0.142861043323E+04 0.12319E-04 -0.91033E-05 1068 0.175E-02 0.303E-02
DAV: 4 -0.142861043206E+04 0.11680E-05 -0.34917E-05 828 0.131E-02
19 F= -.14286104E+04 E0= -.14286267E+04 d E =-.701589E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861065861E+04 -0.22538E-03 -0.10232E-01 900 0.537E-01 0.705E-02
DAV: 2 -0.142861085730E+04 -0.19869E-03 -0.24277E-03 1012 0.732E-02 0.421E-02
DAV: 3 -0.142861084757E+04 0.97351E-05 -0.66157E-05 1036 0.153E-02
20 F= -.14286108E+04 E0= -.14286271E+04 d E =-.415509E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861083465E+04 0.22651E-04 -0.70790E-02 890 0.446E-01 0.623E-02
DAV: 2 -0.142861095886E+04 -0.12420E-03 -0.15884E-03 1012 0.593E-02 0.379E-02
DAV: 3 -0.142861095264E+04 0.62178E-05 -0.51019E-05 988 0.132E-02
21 F= -.14286110E+04 E0= -.14286272E+04 d E =-.520580E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861119295E+04 -0.23409E-03 -0.10387E-01 890 0.543E-01 0.708E-02
DAV: 2 -0.142861137742E+04 -0.18448E-03 -0.22786E-03 1012 0.713E-02 0.448E-02
DAV: 3 -0.142861136753E+04 0.98903E-05 -0.62642E-05 1036 0.151E-02
22 F= -.14286114E+04 E0= -.14286276E+04 d E =-.414893E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861134912E+04 0.28304E-04 -0.90725E-02 890 0.507E-01 0.673E-02
DAV: 2 -0.142861150623E+04 -0.15711E-03 -0.19565E-03 1012 0.661E-02 0.425E-02
DAV: 3 -0.142861149810E+04 0.81230E-05 -0.55117E-05 996 0.141E-02
23 F= -.14286115E+04 E0= -.14286278E+04 d E =-.545463E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861171634E+04 -0.21012E-03 -0.13961E-01 890 0.627E-01 0.811E-02
DAV: 2 -0.142861196075E+04 -0.24440E-03 -0.30180E-03 1028 0.815E-02 0.514E-02
DAV: 3 -0.142861194714E+04 0.13602E-04 -0.77496E-05 1052 0.165E-02 0.296E-02
DAV: 4 -0.142861194792E+04 -0.77764E-06 -0.32826E-05 836 0.118E-02
24 F= -.14286119E+04 E0= -.14286282E+04 d E =-.449819E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861198550E+04 -0.38358E-04 -0.11038E-02 900 0.176E-01 0.235E-02
DAV: 2 -0.142861200692E+04 -0.21417E-04 -0.25022E-04 1028 0.235E-02 0.143E-02
DAV: 3 -0.142861200589E+04 0.10334E-05 -0.49597E-06 532 0.495E-03
25 F= -.14286120E+04 E0= -.14286282E+04 d E =-.507782E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861196161E+04 0.45310E-04 -0.43277E-02 890 0.349E-01 0.444E-02
DAV: 2 -0.142861203909E+04 -0.77482E-04 -0.94173E-04 1036 0.454E-02 0.282E-02
DAV: 3 -0.142861203464E+04 0.44487E-05 -0.20843E-05 708 0.908E-03
26 F= -.14286120E+04 E0= -.14286282E+04 d E =-.536539E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861219353E+04 -0.15444E-03 -0.99020E-02 890 0.527E-01 0.660E-02
DAV: 2 -0.142861236677E+04 -0.17324E-03 -0.21196E-03 996 0.684E-02 0.432E-02
DAV: 3 -0.142861235727E+04 0.95007E-05 -0.52405E-05 996 0.138E-02
27 F= -.14286124E+04 E0= -.14286285E+04 d E =-.322631E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861228796E+04 0.78817E-04 -0.13016E-01 890 0.605E-01 0.775E-02
DAV: 2 -0.142861250872E+04 -0.22076E-03 -0.27471E-03 996 0.781E-02 0.506E-02
DAV: 3 -0.142861249676E+04 0.11959E-04 -0.73105E-05 1044 0.161E-02 0.294E-02
DAV: 4 -0.142861249821E+04 -0.14486E-05 -0.31887E-05 812 0.118E-02
28 F= -.14286125E+04 E0= -.14286286E+04 d E =-.463569E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861274161E+04 -0.24485E-03 -0.75150E-02 890 0.461E-01 0.592E-02
DAV: 2 -0.142861288179E+04 -0.14018E-03 -0.17387E-03 1012 0.630E-02 0.388E-02
DAV: 3 -0.142861287229E+04 0.94934E-05 -0.43410E-05 924 0.133E-02
29 F= -.14286129E+04 E0= -.14286290E+04 d E =-.374081E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861283997E+04 0.41818E-04 -0.91503E-02 890 0.509E-01 0.680E-02
DAV: 2 -0.142861299455E+04 -0.15458E-03 -0.20108E-03 1020 0.682E-02 0.442E-02
DAV: 3 -0.142861298401E+04 0.10538E-04 -0.58268E-05 1036 0.147E-02 0.259E-02
DAV: 4 -0.142861298452E+04 -0.50456E-06 -0.28439E-05 756 0.109E-02
30 F= -.14286130E+04 E0= -.14286292E+04 d E =-.486305E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861314289E+04 -0.15888E-03 -0.60618E-02 900 0.413E-01 0.523E-02
DAV: 2 -0.142861325486E+04 -0.11197E-03 -0.13599E-03 1004 0.548E-02 0.336E-02
DAV: 3 -0.142861324797E+04 0.68925E-05 -0.29537E-05 852 0.112E-02
31 F= -.14286132E+04 E0= -.14286295E+04 d E =-.263450E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861294469E+04 0.31017E-03 -0.27763E-01 890 0.884E-01 0.112E-01
DAV: 2 -0.142861343060E+04 -0.48592E-03 -0.60409E-03 1004 0.115E-01 0.728E-02
DAV: 3 -0.142861340018E+04 0.30424E-04 -0.14884E-04 1052 0.236E-02 0.425E-02
DAV: 4 -0.142861340246E+04 -0.22809E-05 -0.74648E-05 996 0.175E-02
32 F= -.14286134E+04 E0= -.14286297E+04 d E =-.417943E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861335268E+04 0.47501E-04 -0.37488E-02 890 0.325E-01 0.384E-02
DAV: 2 -0.142861341781E+04 -0.65129E-04 -0.82762E-04 988 0.426E-02 0.263E-02
DAV: 3 -0.142861341216E+04 0.56445E-05 -0.17239E-05 676 0.830E-03
33 F= -.14286134E+04 E0= -.14286297E+04 d E =-.427646E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861364969E+04 -0.23189E-03 -0.40510E-02 890 0.338E-01 0.414E-02
DAV: 2 -0.142861372787E+04 -0.78175E-04 -0.96485E-04 1044 0.466E-02 0.280E-02
DAV: 3 -0.142861372066E+04 0.72073E-05 -0.22121E-05 700 0.971E-03
34 F= -.14286137E+04 E0= -.14286300E+04 d E =-.308498E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861375352E+04 -0.25648E-04 -0.33446E-02 890 0.307E-01 0.413E-02
DAV: 2 -0.142861380951E+04 -0.55995E-04 -0.72187E-04 1052 0.404E-02 0.271E-02
DAV: 3 -0.142861380446E+04 0.50528E-05 -0.18967E-05 660 0.898E-03
35 F= -.14286138E+04 E0= -.14286300E+04 d E =-.392296E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861397454E+04 -0.16502E-03 -0.43414E-02 890 0.348E-01 0.448E-02
DAV: 2 -0.142861404965E+04 -0.75120E-04 -0.92855E-04 1036 0.453E-02 0.290E-02
DAV: 3 -0.142861404433E+04 0.53294E-05 -0.21575E-05 716 0.968E-03
36 F= -.14286140E+04 E0= -.14286303E+04 d E =-.239866E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861401909E+04 0.30568E-04 -0.90812E-02 890 0.503E-01 0.647E-02
DAV: 2 -0.142861417534E+04 -0.15626E-03 -0.19366E-03 1036 0.654E-02 0.420E-02
DAV: 3 -0.142861416443E+04 0.10912E-04 -0.48426E-05 940 0.139E-02 0.244E-02
DAV: 4 -0.142861416468E+04 -0.25280E-06 -0.24077E-05 668 0.102E-02
37 F= -.14286142E+04 E0= -.14286304E+04 d E =-.360224E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861433118E+04 -0.16675E-03 -0.27473E-02 890 0.276E-01 0.354E-02
DAV: 2 -0.142861437959E+04 -0.48413E-04 -0.59452E-04 996 0.361E-02 0.226E-02
DAV: 3 -0.142861437634E+04 0.32473E-05 -0.12337E-05 620 0.747E-03
38 F= -.14286144E+04 E0= -.14286306E+04 d E =-.211661E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861428236E+04 0.97229E-04 -0.24502E-01 890 0.825E-01 0.104E-01
DAV: 2 -0.142861469877E+04 -0.41641E-03 -0.51846E-03 996 0.107E-01 0.676E-02
DAV: 3 -0.142861467056E+04 0.28206E-04 -0.12490E-04 1060 0.216E-02 0.391E-02
DAV: 4 -0.142861467147E+04 -0.90055E-06 -0.63196E-05 988 0.162E-02
39 F= -.14286147E+04 E0= -.14286308E+04 d E =-.506782E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861488415E+04 -0.21358E-03 -0.45869E-02 890 0.359E-01 0.466E-02
DAV: 2 -0.142861496725E+04 -0.83097E-04 -0.10233E-03 1028 0.478E-02 0.310E-02
DAV: 3 -0.142861496154E+04 0.57020E-05 -0.24214E-05 724 0.104E-02
40 F= -.14286150E+04 E0= -.14286311E+04 d E =-.290079E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861458549E+04 0.38176E-03 -0.31740E-01 890 0.946E-01 0.120E-01
DAV: 2 -0.142861513267E+04 -0.54718E-03 -0.68587E-03 1028 0.124E-01 0.810E-02
DAV: 3 -0.142861509415E+04 0.38525E-04 -0.18412E-04 1068 0.261E-02 0.477E-02
DAV: 4 -0.142861509280E+04 0.13429E-05 -0.89866E-05 1004 0.187E-02
41 F= -.14286151E+04 E0= -.14286313E+04 d E =-.421339E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861506090E+04 0.33245E-04 -0.58684E-02 890 0.407E-01 0.491E-02
DAV: 2 -0.142861516065E+04 -0.99748E-04 -0.12790E-03 1020 0.533E-02 0.343E-02
DAV: 3 -0.142861515195E+04 0.86987E-05 -0.32911E-05 868 0.109E-02
42 F= -.14286152E+04 E0= -.14286313E+04 d E =-.480486E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861533861E+04 -0.17796E-03 -0.61184E-02 890 0.414E-01 0.502E-02
DAV: 2 -0.142861545428E+04 -0.11567E-03 -0.14041E-03 996 0.553E-02 0.332E-02
DAV: 3 -0.142861544549E+04 0.87900E-05 -0.31566E-05 852 0.110E-02
43 F= -.14286154E+04 E0= -.14286316E+04 d E =-.293537E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861540423E+04 0.50044E-04 -0.13271E-01 890 0.609E-01 0.800E-02
DAV: 2 -0.142861562822E+04 -0.22398E-03 -0.28350E-03 1004 0.787E-02 0.515E-02
DAV: 3 -0.142861561227E+04 0.15947E-04 -0.78411E-05 1060 0.167E-02 0.292E-02
DAV: 4 -0.142861561193E+04 0.33883E-06 -0.31650E-05 828 0.120E-02
44 F= -.14286156E+04 E0= -.14286319E+04 d E =-.459978E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861578864E+04 -0.17637E-03 -0.68397E-02 890 0.436E-01 0.555E-02
DAV: 2 -0.142861590599E+04 -0.11736E-03 -0.14506E-03 988 0.562E-02 0.366E-02
DAV: 3 -0.142861589791E+04 0.80798E-05 -0.34421E-05 884 0.124E-02
45 F= -.14286159E+04 E0= -.14286322E+04 d E =-.285984E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861518408E+04 0.72191E-03 -0.61060E-01 890 0.130E+00 0.166E-01
DAV: 2 -0.142861618945E+04 -0.10054E-02 -0.12655E-02 988 0.166E-01 0.110E-01
DAV: 3 -0.142861611875E+04 0.70699E-04 -0.32483E-04 1076 0.360E-02 0.643E-02
DAV: 4 -0.142861612007E+04 -0.13222E-05 -0.16461E-04 1004 0.262E-02 0.177E-02
DAV: 5 -0.142861612038E+04 -0.31262E-06 -0.28240E-05 716 0.119E-02
46 F= -.14286161E+04 E0= -.14286324E+04 d E =-.508451E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861607368E+04 0.46387E-04 -0.55208E-02 890 0.392E-01 0.484E-02
DAV: 2 -0.142861616113E+04 -0.87444E-04 -0.11420E-03 972 0.501E-02 0.330E-02
DAV: 3 -0.142861615335E+04 0.77716E-05 -0.28960E-05 844 0.109E-02
47 F= -.14286162E+04 E0= -.14286324E+04 d E =-.541424E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861633173E+04 -0.17061E-03 -0.10412E-01 890 0.537E-01 0.649E-02
DAV: 2 -0.142861651741E+04 -0.18568E-03 -0.22742E-03 996 0.700E-02 0.428E-02
DAV: 3 -0.142861650416E+04 0.13249E-04 -0.50421E-05 948 0.143E-02 0.255E-02
DAV: 4 -0.142861650295E+04 0.12102E-05 -0.25951E-05 700 0.110E-02
48 F= -.14286165E+04 E0= -.14286328E+04 d E =-.349596E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861638961E+04 0.11455E-03 -0.24715E-01 890 0.826E-01 0.105E-01
DAV: 2 -0.142861681117E+04 -0.42156E-03 -0.52453E-03 996 0.106E-01 0.679E-02
DAV: 3 -0.142861678378E+04 0.27384E-04 -0.12650E-04 1068 0.222E-02 0.397E-02
DAV: 4 -0.142861678458E+04 -0.79185E-06 -0.63022E-05 988 0.167E-02
49 F= -.14286168E+04 E0= -.14286330E+04 d E =-.631222E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861702619E+04 -0.24241E-03 -0.92625E-02 890 0.506E-01 0.671E-02
DAV: 2 -0.142861718763E+04 -0.16144E-03 -0.20346E-03 996 0.670E-02 0.433E-02
DAV: 3 -0.142861717594E+04 0.11690E-04 -0.53480E-05 972 0.148E-02 0.256E-02
DAV: 4 -0.142861717594E+04 -0.30559E-08 -0.29435E-05 756 0.112E-02
50 F= -.14286172E+04 E0= -.14286334E+04 d E =-.391364E-03