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 0.396386449963E+04 0.39639E+04 -0.29045E+05 890 0.112E+03
DAV: 2 -0.106332546068E+04 -0.50272E+04 -0.48593E+04 1164 0.299E+02
DAV: 3 -0.152823538274E+04 -0.46491E+03 -0.46021E+03 1028 0.968E+01
DAV: 4 -0.153981351646E+04 -0.11578E+02 -0.11531E+02 1084 0.165E+01
DAV: 5 -0.154019551443E+04 -0.38200E+00 -0.38143E+00 1084 0.276E+00 0.630E+01
DAV: 6 -0.144846787849E+04 0.91728E+02 -0.17563E+02 988 0.198E+01 0.343E+01
DAV: 7 -0.143020323407E+04 0.18265E+02 -0.49531E+01 1052 0.115E+01 0.160E+01
DAV: 8 -0.142843037358E+04 0.17729E+01 -0.10543E+01 1028 0.498E+00 0.585E+00
DAV: 9 -0.142837927577E+04 0.51098E-01 -0.12761E+00 1036 0.237E+00 0.194E+00
DAV: 10 -0.142837800612E+04 0.12696E-02 -0.33820E-01 980 0.114E+00 0.628E-01
DAV: 11 -0.142838490422E+04 -0.68981E-02 -0.62040E-02 1020 0.463E-01 0.349E-01
DAV: 12 -0.142838636525E+04 -0.14610E-02 -0.94386E-03 988 0.232E-01 0.207E-01
DAV: 13 -0.142838519959E+04 0.11657E-02 -0.41808E-03 1020 0.186E-01 0.115E-01
DAV: 14 -0.142838357296E+04 0.16266E-02 -0.25052E-03 1020 0.138E-01 0.635E-02
DAV: 15 -0.142838302437E+04 0.54858E-03 -0.12269E-03 1044 0.837E-02 0.391E-02
DAV: 16 -0.142838285383E+04 0.17054E-03 -0.23333E-04 1084 0.415E-02 0.241E-02
DAV: 17 -0.142838278641E+04 0.67419E-04 -0.38988E-05 1012 0.266E-02 0.125E-02
DAV: 18 -0.142838274736E+04 0.39050E-04 -0.14138E-05 876 0.263E-02 0.752E-03
DAV: 19 -0.142838273153E+04 0.15827E-04 -0.47902E-05 1036 0.221E-02 0.628E-03
DAV: 20 -0.142838272518E+04 0.63524E-05 -0.22907E-05 828 0.130E-02
1 F= -.14283827E+04 E0= -.14283991E+04 d E =-.142838E+04
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142819727857E+04 0.18545E+00 -0.22054E+01 908 0.787E+00 0.134E+00
DAV: 2 -0.142825512932E+04 -0.57851E-01 -0.82414E-01 1076 0.131E+00 0.830E-01
DAV: 3 -0.142824508332E+04 0.10046E-01 -0.24691E-02 1036 0.308E-01 0.515E-01
DAV: 4 -0.142824235280E+04 0.27305E-02 -0.14971E-02 1020 0.235E-01 0.190E-01
DAV: 5 -0.142824236400E+04 -0.11197E-04 -0.32786E-03 1036 0.111E-01 0.942E-02
DAV: 6 -0.142824233619E+04 0.27809E-04 -0.59609E-04 1036 0.454E-02 0.422E-02
DAV: 7 -0.142824230551E+04 0.30676E-04 -0.11800E-04 996 0.216E-02 0.222E-02
DAV: 8 -0.142824229500E+04 0.10517E-04 -0.25663E-05 796 0.118E-02 0.775E-03
DAV: 9 -0.142824229058E+04 0.44152E-05 -0.63607E-06 612 0.690E-03
2 F= -.14282423E+04 E0= -.14282585E+04 d E =0.140435E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142837113536E+04 -0.12884E+00 -0.13161E+01 898 0.608E+00 0.104E+00
DAV: 2 -0.142840393611E+04 -0.32801E-01 -0.46661E-01 1084 0.989E-01 0.627E-01
DAV: 3 -0.142839802158E+04 0.59145E-02 -0.14692E-02 1020 0.237E-01 0.370E-01
DAV: 4 -0.142839662682E+04 0.13948E-02 -0.83455E-03 1028 0.175E-01 0.130E-01
DAV: 5 -0.142839666122E+04 -0.34401E-04 -0.17191E-03 1036 0.789E-02 0.666E-02
DAV: 6 -0.142839665160E+04 0.96163E-05 -0.28604E-04 1028 0.315E-02 0.308E-02
DAV: 7 -0.142839663696E+04 0.14636E-04 -0.59353E-05 988 0.151E-02 0.156E-02
DAV: 8 -0.142839663391E+04 0.30587E-05 -0.13159E-05 644 0.815E-03
3 F= -.14283966E+04 E0= -.14284127E+04 d E =-.139087E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142840176516E+04 -0.51282E-02 -0.47437E+00 890 0.375E+00 0.604E-01
DAV: 2 -0.142841161506E+04 -0.98499E-02 -0.13767E-01 1012 0.566E-01 0.409E-01
DAV: 3 -0.142840988033E+04 0.17347E-02 -0.51277E-03 1028 0.154E-01 0.258E-01
DAV: 4 -0.142840960168E+04 0.27865E-03 -0.41205E-03 1012 0.116E-01 0.958E-02
DAV: 5 -0.142840960877E+04 -0.70924E-05 -0.56260E-04 1036 0.475E-02 0.462E-02
DAV: 6 -0.142840960395E+04 0.48221E-05 -0.15050E-04 1028 0.219E-02 0.236E-02
DAV: 7 -0.142840959795E+04 0.60044E-05 -0.24125E-05 732 0.106E-02
4 F= -.14284096E+04 E0= -.14284257E+04 d E =-.129640E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841117424E+04 -0.15703E-02 -0.36293E-01 900 0.104E+00 0.165E-01
DAV: 2 -0.142841194098E+04 -0.76674E-03 -0.10385E-02 1020 0.156E-01 0.113E-01
DAV: 3 -0.142841181329E+04 0.12769E-03 -0.37640E-04 1028 0.418E-02 0.716E-02
DAV: 4 -0.142841179453E+04 0.18761E-04 -0.31437E-04 1012 0.318E-02 0.258E-02
DAV: 5 -0.142841179598E+04 -0.14538E-05 -0.41283E-05 852 0.130E-02
5 F= -.14284118E+04 E0= -.14284279E+04 d E =-.151621E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142840522980E+04 0.65647E-02 -0.34827E+00 890 0.316E+00 0.498E-01
DAV: 2 -0.142841191937E+04 -0.66896E-02 -0.99938E-02 1052 0.463E-01 0.293E-01
DAV: 3 -0.142841083613E+04 0.10832E-02 -0.32436E-03 1044 0.115E-01 0.176E-01
DAV: 4 -0.142841068526E+04 0.15087E-03 -0.21537E-03 1020 0.822E-02 0.666E-02
DAV: 5 -0.142841068868E+04 -0.34269E-05 -0.32627E-04 1012 0.352E-02 0.313E-02
DAV: 6 -0.142841068476E+04 0.39273E-05 -0.61316E-05 1004 0.145E-02
6 F= -.14284107E+04 E0= -.14284265E+04 d E =0.111122E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841620576E+04 -0.55171E-02 -0.94934E-01 900 0.165E+00 0.257E-01
DAV: 2 -0.142841802744E+04 -0.18217E-02 -0.26493E-02 1052 0.238E-01 0.152E-01
DAV: 3 -0.142841774455E+04 0.28289E-03 -0.84839E-04 1036 0.590E-02 0.901E-02
DAV: 4 -0.142841770922E+04 0.35332E-04 -0.57243E-04 1020 0.425E-02 0.330E-02
DAV: 5 -0.142841771082E+04 -0.16015E-05 -0.85835E-05 1004 0.176E-02
7 F= -.14284177E+04 E0= -.14284336E+04 d E =-.591484E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841920884E+04 -0.14996E-02 -0.38409E-01 890 0.107E+00 0.143E-01
DAV: 2 -0.142841996336E+04 -0.75452E-03 -0.10136E-02 1044 0.154E-01 0.927E-02
DAV: 3 -0.142841988644E+04 0.76921E-04 -0.40557E-04 1068 0.367E-02 0.556E-02
DAV: 4 -0.142841986382E+04 0.22621E-04 -0.11479E-04 1012 0.217E-02 0.202E-02
DAV: 5 -0.142841986270E+04 0.11216E-05 -0.22496E-05 708 0.105E-02
8 F= -.14284199E+04 E0= -.14284357E+04 d E =-.215188E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142841987239E+04 -0.85719E-05 -0.19170E-03 900 0.755E-02 0.104E-02
DAV: 2 -0.142841987509E+04 -0.26974E-05 -0.48506E-05 852 0.113E-02
9 F= -.14284199E+04 E0= -.14284357E+04 d E =-.216427E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842115443E+04 -0.12820E-02 -0.35290E-01 890 0.102E+00 0.131E-01
DAV: 2 -0.142842178370E+04 -0.62927E-03 -0.80787E-03 1052 0.136E-01 0.848E-02
DAV: 3 -0.142842173425E+04 0.49450E-04 -0.26211E-04 1060 0.312E-02 0.520E-02
DAV: 4 -0.142842172086E+04 0.13387E-04 -0.10786E-04 988 0.198E-02 0.169E-02
DAV: 5 -0.142842172092E+04 -0.59590E-07 -0.18083E-05 636 0.930E-03
10 F= -.14284217E+04 E0= -.14284375E+04 d E =-.184583E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842174647E+04 -0.25613E-04 -0.10741E-02 900 0.178E-01 0.243E-02
DAV: 2 -0.142842176664E+04 -0.20170E-04 -0.25163E-04 1052 0.239E-02 0.149E-02
DAV: 3 -0.142842176511E+04 0.15277E-05 -0.62678E-06 532 0.545E-03
11 F= -.14284218E+04 E0= -.14284375E+04 d E =-.189003E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842267667E+04 -0.91003E-03 -0.27962E-01 890 0.905E-01 0.118E-01
DAV: 2 -0.142842323448E+04 -0.55780E-03 -0.68441E-03 1044 0.124E-01 0.726E-02
DAV: 3 -0.142842320270E+04 0.31779E-04 -0.20792E-04 1044 0.274E-02 0.445E-02
DAV: 4 -0.142842319755E+04 0.51460E-05 -0.75148E-05 1012 0.184E-02
12 F= -.14284232E+04 E0= -.14284389E+04 d E =-.143244E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842324365E+04 -0.40956E-04 -0.20471E-02 900 0.245E-01 0.358E-02
DAV: 2 -0.142842328317E+04 -0.39516E-04 -0.49963E-04 1044 0.337E-02 0.209E-02
DAV: 3 -0.142842328082E+04 0.23500E-05 -0.14433E-05 612 0.795E-03
13 F= -.14284233E+04 E0= -.14284390E+04 d E =-.151571E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842406604E+04 -0.78287E-03 -0.15375E-01 890 0.664E-01 0.893E-02
DAV: 2 -0.142842434374E+04 -0.27770E-03 -0.35774E-03 1020 0.901E-02 0.552E-02
DAV: 3 -0.142842432486E+04 0.18876E-04 -0.10724E-04 1060 0.206E-02 0.332E-02
DAV: 4 -0.142842432316E+04 0.17026E-05 -0.50974E-05 972 0.143E-02
14 F= -.14284243E+04 E0= -.14284400E+04 d E =-.104234E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842442698E+04 -0.10211E-03 -0.57464E-02 900 0.406E-01 0.565E-02
DAV: 2 -0.142842453261E+04 -0.10563E-03 -0.13557E-03 1028 0.557E-02 0.343E-02
DAV: 3 -0.142842452565E+04 0.69564E-05 -0.39142E-05 884 0.130E-02
15 F= -.14284245E+04 E0= -.14284402E+04 d E =-.124483E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842514274E+04 -0.61013E-03 -0.19585E-01 890 0.745E-01 0.101E-01
DAV: 2 -0.142842547216E+04 -0.32942E-03 -0.43118E-03 1020 0.978E-02 0.607E-02
DAV: 3 -0.142842545434E+04 0.17817E-04 -0.13204E-04 1068 0.217E-02 0.361E-02
DAV: 4 -0.142842545383E+04 0.51894E-06 -0.49829E-05 988 0.153E-02
16 F= -.14284255E+04 E0= -.14284412E+04 d E =-.928171E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842550896E+04 -0.54617E-04 -0.33156E-02 900 0.307E-01 0.435E-02
DAV: 2 -0.142842556457E+04 -0.55610E-04 -0.74356E-04 1020 0.410E-02 0.251E-02
DAV: 3 -0.142842556192E+04 0.26523E-05 -0.21874E-05 676 0.938E-03
17 F= -.14284256E+04 E0= -.14284413E+04 d E =-.103626E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842614936E+04 -0.58479E-03 -0.13019E-01 890 0.607E-01 0.812E-02
DAV: 2 -0.142842637000E+04 -0.22065E-03 -0.28488E-03 1020 0.794E-02 0.495E-02
DAV: 3 -0.142842635898E+04 0.11027E-04 -0.82395E-05 1052 0.173E-02 0.295E-02
DAV: 4 -0.142842635923E+04 -0.25993E-06 -0.37220E-05 868 0.130E-02
18 F= -.14284264E+04 E0= -.14284421E+04 d E =-.797316E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842646754E+04 -0.10856E-03 -0.14968E-01 890 0.650E-01 0.870E-02
DAV: 2 -0.142842672951E+04 -0.26198E-03 -0.33540E-03 1012 0.863E-02 0.523E-02
DAV: 3 -0.142842671628E+04 0.13231E-04 -0.93522E-05 1060 0.189E-02 0.318E-02
DAV: 4 -0.142842671609E+04 0.19330E-06 -0.45880E-05 924 0.144E-02
19 F= -.14284267E+04 E0= -.14284424E+04 d E =-.115417E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842728650E+04 -0.57022E-03 -0.16986E-01 890 0.690E-01 0.938E-02
DAV: 2 -0.142842757297E+04 -0.28647E-03 -0.37235E-03 1012 0.913E-02 0.569E-02
DAV: 3 -0.142842755499E+04 0.17972E-04 -0.11093E-04 1044 0.207E-02 0.340E-02
DAV: 4 -0.142842755542E+04 -0.42368E-06 -0.53007E-05 956 0.152E-02
20 F= -.14284276E+04 E0= -.14284432E+04 d E =-.839327E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842769681E+04 -0.14182E-03 -0.39211E-02 890 0.332E-01 0.469E-02
DAV: 2 -0.142842776308E+04 -0.66269E-04 -0.86943E-04 1012 0.442E-02 0.279E-02
DAV: 3 -0.142842775887E+04 0.42093E-05 -0.23628E-05 708 0.102E-02
21 F= -.14284278E+04 E0= -.14284434E+04 d E =-.104278E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842754653E+04 0.21655E-03 -0.15517E-01 890 0.660E-01 0.906E-02
DAV: 2 -0.142842779821E+04 -0.25168E-03 -0.33072E-03 1012 0.859E-02 0.553E-02
DAV: 3 -0.142842778234E+04 0.15876E-04 -0.10138E-04 1052 0.194E-02 0.325E-02
DAV: 4 -0.142842778281E+04 -0.47371E-06 -0.45606E-05 924 0.142E-02
22 F= -.14284278E+04 E0= -.14284434E+04 d E =-.106672E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842777354E+04 0.87994E-05 -0.39556E-02 890 0.334E-01 0.421E-02
DAV: 2 -0.142842784026E+04 -0.66718E-04 -0.84979E-04 1012 0.435E-02 0.269E-02
DAV: 3 -0.142842783502E+04 0.52393E-05 -0.23307E-05 700 0.957E-03
23 F= -.14284278E+04 E0= -.14284434E+04 d E =-.111893E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842828152E+04 -0.44126E-03 -0.12909E-01 890 0.603E-01 0.765E-02
DAV: 2 -0.142842850283E+04 -0.22131E-03 -0.28198E-03 996 0.795E-02 0.496E-02
DAV: 3 -0.142842848659E+04 0.16238E-04 -0.73555E-05 1052 0.179E-02 0.305E-02
DAV: 4 -0.142842848523E+04 0.13614E-05 -0.43887E-05 932 0.132E-02
24 F= -.14284285E+04 E0= -.14284441E+04 d E =-.650214E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842853431E+04 -0.47715E-04 -0.23204E-01 890 0.808E-01 0.108E-01
DAV: 2 -0.142842891937E+04 -0.38506E-03 -0.49995E-03 1004 0.106E-01 0.687E-02
DAV: 3 -0.142842889239E+04 0.26976E-04 -0.13498E-04 1060 0.244E-02 0.418E-02
DAV: 4 -0.142842889232E+04 0.76630E-07 -0.82230E-05 988 0.181E-02
25 F= -.14284289E+04 E0= -.14284445E+04 d E =-.105730E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842944005E+04 -0.54766E-03 -0.95791E-02 890 0.521E-01 0.725E-02
DAV: 2 -0.142842959327E+04 -0.15321E-03 -0.21014E-03 1036 0.696E-02 0.449E-02
DAV: 3 -0.142842958090E+04 0.12373E-04 -0.63909E-05 1052 0.163E-02 0.268E-02
DAV: 4 -0.142842958056E+04 0.33736E-06 -0.33590E-05 804 0.118E-02
26 F= -.14284296E+04 E0= -.14284452E+04 d E =-.688242E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142842967572E+04 -0.94825E-04 -0.17532E-01 890 0.705E-01 0.961E-02
DAV: 2 -0.142842995888E+04 -0.28316E-03 -0.38088E-03 1028 0.934E-02 0.600E-02
DAV: 3 -0.142842993637E+04 0.22513E-04 -0.11226E-04 1052 0.214E-02 0.357E-02
DAV: 4 -0.142842993527E+04 0.10996E-05 -0.60108E-05 980 0.157E-02
27 F= -.14284299E+04 E0= -.14284455E+04 d E =-.104295E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843033745E+04 -0.40108E-03 -0.87580E-02 890 0.499E-01 0.684E-02
DAV: 2 -0.142843048075E+04 -0.14330E-03 -0.18960E-03 1028 0.657E-02 0.430E-02
DAV: 3 -0.142843046956E+04 0.11183E-04 -0.52179E-05 1012 0.154E-02 0.259E-02
DAV: 4 -0.142843046929E+04 0.27822E-06 -0.32678E-05 820 0.113E-02
28 F= -.14284305E+04 E0= -.14284461E+04 d E =-.534016E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843042227E+04 0.47297E-04 -0.29239E-01 890 0.911E-01 0.122E-01
DAV: 2 -0.142843090005E+04 -0.47778E-03 -0.62500E-03 1020 0.119E-01 0.776E-02
DAV: 3 -0.142843086395E+04 0.36095E-04 -0.17551E-04 1076 0.276E-02 0.466E-02
DAV: 4 -0.142843086210E+04 0.18516E-05 -0.99150E-05 988 0.199E-02
29 F= -.14284309E+04 E0= -.14284464E+04 d E =-.926830E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843128859E+04 -0.42464E-03 -0.15147E-01 890 0.654E-01 0.896E-02
DAV: 2 -0.142843153287E+04 -0.24427E-03 -0.32322E-03 1028 0.861E-02 0.565E-02
DAV: 3 -0.142843151393E+04 0.18937E-04 -0.89641E-05 1068 0.200E-02 0.341E-02
DAV: 4 -0.142843151294E+04 0.99091E-06 -0.54088E-05 932 0.146E-02
30 F= -.14284315E+04 E0= -.14284471E+04 d E =-.650839E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843162732E+04 -0.11339E-03 -0.30494E-02 890 0.293E-01 0.414E-02
DAV: 2 -0.142843167677E+04 -0.49457E-04 -0.66109E-04 1028 0.391E-02 0.257E-02
DAV: 3 -0.142843167283E+04 0.39455E-05 -0.16834E-05 668 0.920E-03
31 F= -.14284317E+04 E0= -.14284473E+04 d E =-.810727E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843158062E+04 0.96151E-04 -0.12050E-01 890 0.584E-01 0.797E-02
DAV: 2 -0.142843176434E+04 -0.18372E-03 -0.24709E-03 1028 0.751E-02 0.506E-02
DAV: 3 -0.142843174993E+04 0.14408E-04 -0.70164E-05 1068 0.171E-02 0.297E-02
DAV: 4 -0.142843174907E+04 0.86913E-06 -0.38277E-05 876 0.125E-02
32 F= -.14284317E+04 E0= -.14284474E+04 d E =-.886965E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843205018E+04 -0.30025E-03 -0.15059E-01 890 0.650E-01 0.873E-02
DAV: 2 -0.142843229044E+04 -0.24025E-03 -0.31293E-03 1028 0.844E-02 0.546E-02
DAV: 3 -0.142843227200E+04 0.18433E-04 -0.80291E-05 1060 0.190E-02 0.328E-02
DAV: 4 -0.142843227149E+04 0.51165E-06 -0.49200E-05 916 0.141E-02
33 F= -.14284323E+04 E0= -.14284479E+04 d E =-.522426E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843238812E+04 -0.11611E-03 -0.39058E-02 890 0.331E-01 0.463E-02
DAV: 2 -0.142843245045E+04 -0.62331E-04 -0.82400E-04 1028 0.435E-02 0.283E-02
DAV: 3 -0.142843244558E+04 0.48669E-05 -0.19787E-05 700 0.100E-02
34 F= -.14284324E+04 E0= -.14284481E+04 d E =-.696516E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843239512E+04 0.55325E-04 -0.15436E-01 890 0.659E-01 0.895E-02
DAV: 2 -0.142843262871E+04 -0.23358E-03 -0.31061E-03 1028 0.840E-02 0.561E-02
DAV: 3 -0.142843261079E+04 0.17915E-04 -0.83140E-05 1052 0.188E-02 0.328E-02
DAV: 4 -0.142843261056E+04 0.22670E-06 -0.46705E-05 900 0.139E-02
35 F= -.14284326E+04 E0= -.14284482E+04 d E =-.861498E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843307180E+04 -0.46101E-03 -0.82083E-02 890 0.484E-01 0.667E-02
DAV: 2 -0.142843320550E+04 -0.13369E-03 -0.18038E-03 1036 0.651E-02 0.436E-02
DAV: 3 -0.142843319097E+04 0.14522E-04 -0.53132E-05 1004 0.158E-02 0.263E-02
DAV: 4 -0.142843318922E+04 0.17506E-05 -0.37417E-05 860 0.120E-02
36 F= -.14284332E+04 E0= -.14284488E+04 d E =-.578660E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843325575E+04 -0.64777E-04 -0.34042E-02 890 0.311E-01 0.440E-02
DAV: 2 -0.142843331169E+04 -0.55941E-04 -0.75459E-04 1036 0.421E-02 0.284E-02
DAV: 3 -0.142843330552E+04 0.61729E-05 -0.20001E-05 692 0.102E-02
37 F= -.14284333E+04 E0= -.14284490E+04 d E =-.694955E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843364605E+04 -0.33436E-03 -0.49233E-02 890 0.378E-01 0.512E-02
DAV: 2 -0.142843372203E+04 -0.75977E-04 -0.10133E-03 1044 0.487E-02 0.336E-02
DAV: 3 -0.142843371473E+04 0.72991E-05 -0.30587E-05 780 0.118E-02
38 F= -.14284337E+04 E0= -.14284494E+04 d E =-.409210E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843377548E+04 -0.53450E-04 -0.83033E-02 890 0.491E-01 0.670E-02
DAV: 2 -0.142843390199E+04 -0.12651E-03 -0.16872E-03 1044 0.628E-02 0.442E-02
DAV: 3 -0.142843388954E+04 0.12446E-04 -0.52465E-05 964 0.153E-02 0.262E-02
DAV: 4 -0.142843388873E+04 0.81302E-06 -0.30168E-05 788 0.115E-02
39 F= -.14284339E+04 E0= -.14284496E+04 d E =-.583210E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843413531E+04 -0.24577E-03 -0.30746E-02 890 0.296E-01 0.396E-02
DAV: 2 -0.142843418350E+04 -0.48187E-04 -0.63164E-04 1004 0.383E-02 0.253E-02
DAV: 3 -0.142843417985E+04 0.36466E-05 -0.16092E-05 628 0.887E-03
40 F= -.14284342E+04 E0= -.14284499E+04 d E =-.291125E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843414084E+04 0.42663E-04 -0.27506E-01 890 0.887E-01 0.116E-01
DAV: 2 -0.142843455334E+04 -0.41250E-03 -0.54457E-03 1004 0.112E-01 0.752E-02
DAV: 3 -0.142843452057E+04 0.32771E-04 -0.15604E-04 1052 0.254E-02 0.442E-02
DAV: 4 -0.142843452020E+04 0.37551E-06 -0.89757E-05 1012 0.190E-02
41 F= -.14284345E+04 E0= -.14284502E+04 d E =-.631467E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843480698E+04 -0.28641E-03 -0.61556E-02 890 0.419E-01 0.582E-02
DAV: 2 -0.142843490879E+04 -0.10181E-03 -0.13482E-03 1036 0.562E-02 0.364E-02
DAV: 3 -0.142843490171E+04 0.70800E-05 -0.40693E-05 852 0.130E-02
42 F= -.14284349E+04 E0= -.14284507E+04 d E =-.381517E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843480771E+04 0.10108E-03 -0.17730E-01 890 0.712E-01 0.986E-02
DAV: 2 -0.142843508314E+04 -0.27543E-03 -0.37101E-03 1036 0.928E-02 0.623E-02
DAV: 3 -0.142843506279E+04 0.20355E-04 -0.11887E-04 1052 0.210E-02 0.361E-02
DAV: 4 -0.142843506231E+04 0.48216E-06 -0.51661E-05 980 0.150E-02
43 F= -.14284351E+04 E0= -.14284508E+04 d E =-.542112E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843505555E+04 0.72354E-05 -0.17054E-02 890 0.221E-01 0.275E-02
DAV: 2 -0.142843508230E+04 -0.26748E-04 -0.35937E-04 1004 0.287E-02 0.184E-02
DAV: 3 -0.142843507937E+04 0.29284E-05 -0.91495E-06 508 0.618E-03
44 F= -.14284351E+04 E0= -.14284508E+04 d E =-.559178E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843538037E+04 -0.29807E-03 -0.57672E-02 890 0.409E-01 0.535E-02
DAV: 2 -0.142843548370E+04 -0.10332E-03 -0.13219E-03 1004 0.556E-02 0.343E-02
DAV: 3 -0.142843547533E+04 0.83633E-05 -0.38378E-05 860 0.128E-02
45 F= -.14284355E+04 E0= -.14284512E+04 d E =-.395958E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843551475E+04 -0.31050E-04 -0.76719E-02 890 0.472E-01 0.672E-02
DAV: 2 -0.142843563856E+04 -0.12382E-03 -0.16640E-03 1028 0.622E-02 0.424E-02
DAV: 3 -0.142843562863E+04 0.99278E-05 -0.54341E-05 1012 0.149E-02
46 F= -.14284356E+04 E0= -.14284514E+04 d E =-.549260E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843587284E+04 -0.23428E-03 -0.47379E-02 890 0.369E-01 0.518E-02
DAV: 2 -0.142843594899E+04 -0.76151E-04 -0.10040E-03 1044 0.478E-02 0.323E-02
DAV: 3 -0.142843594382E+04 0.51700E-05 -0.27812E-05 772 0.109E-02
47 F= -.14284359E+04 E0= -.14284517E+04 d E =-.315187E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843589426E+04 0.54734E-04 -0.16849E-01 890 0.697E-01 0.923E-02
DAV: 2 -0.142843617725E+04 -0.28299E-03 -0.36167E-03 1036 0.904E-02 0.578E-02
DAV: 3 -0.142843615807E+04 0.19178E-04 -0.98892E-05 1044 0.201E-02 0.341E-02
DAV: 4 -0.142843615775E+04 0.32024E-06 -0.50755E-05 900 0.146E-02
48 F= -.14284362E+04 E0= -.14284520E+04 d E =-.529118E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843637529E+04 -0.21722E-03 -0.82401E-02 890 0.486E-01 0.643E-02
DAV: 2 -0.142843651391E+04 -0.13862E-03 -0.17746E-03 1012 0.639E-02 0.397E-02
DAV: 3 -0.142843650478E+04 0.91340E-05 -0.46225E-05 900 0.141E-02
49 F= -.14284365E+04 E0= -.14284523E+04 d E =-.347028E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843636829E+04 0.14562E-03 -0.18853E-01 890 0.735E-01 0.982E-02
DAV: 2 -0.142843666570E+04 -0.29741E-03 -0.38994E-03 1012 0.947E-02 0.610E-02
DAV: 3 -0.142843664635E+04 0.19349E-04 -0.11295E-04 1060 0.210E-02 0.353E-02
DAV: 4 -0.142843664666E+04 -0.30868E-06 -0.54722E-05 940 0.154E-02
50 F= -.14284366E+04 E0= -.14284525E+04 d E =-.488911E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843662520E+04 0.21153E-04 -0.18290E-02 890 0.229E-01 0.274E-02
DAV: 2 -0.142843665461E+04 -0.29414E-04 -0.38070E-04 988 0.294E-02 0.182E-02
DAV: 3 -0.142843665197E+04 0.26429E-05 -0.92108E-06 524 0.627E-03
51 F= -.14284367E+04 E0= -.14284525E+04 d E =-.494220E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843690000E+04 -0.24539E-03 -0.58910E-02 890 0.412E-01 0.533E-02
DAV: 2 -0.142843700291E+04 -0.10291E-03 -0.13580E-03 1004 0.563E-02 0.355E-02
DAV: 3 -0.142843699310E+04 0.98081E-05 -0.38284E-05 876 0.130E-02
52 F= -.14284370E+04 E0= -.14284528E+04 d E =-.341134E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843702133E+04 -0.18417E-04 -0.32877E-02 890 0.308E-01 0.450E-02
DAV: 2 -0.142843706899E+04 -0.47657E-04 -0.69657E-04 1020 0.407E-02 0.289E-02
DAV: 3 -0.142843706436E+04 0.46292E-05 -0.23792E-05 732 0.101E-02
53 F= -.14284371E+04 E0= -.14284529E+04 d E =-.412387E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843726697E+04 -0.19799E-03 -0.49734E-02 890 0.378E-01 0.515E-02
DAV: 2 -0.142843734728E+04 -0.80307E-04 -0.10643E-03 1036 0.493E-02 0.321E-02
DAV: 3 -0.142843734143E+04 0.58491E-05 -0.28568E-05 772 0.110E-02
54 F= -.14284373E+04 E0= -.14284532E+04 d E =-.277073E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843728625E+04 0.61031E-04 -0.14967E-01 890 0.656E-01 0.882E-02
DAV: 2 -0.142843753029E+04 -0.24405E-03 -0.32047E-03 1036 0.856E-02 0.551E-02
DAV: 3 -0.142843751288E+04 0.17418E-04 -0.89230E-05 1044 0.190E-02 0.325E-02
DAV: 4 -0.142843751332E+04 -0.44213E-06 -0.49568E-05 900 0.142E-02
55 F= -.14284375E+04 E0= -.14284533E+04 d E =-.448960E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843769266E+04 -0.17978E-03 -0.76330E-02 890 0.468E-01 0.611E-02
DAV: 2 -0.142843781954E+04 -0.12688E-03 -0.16212E-03 1028 0.609E-02 0.393E-02
DAV: 3 -0.142843781015E+04 0.93863E-05 -0.40397E-05 908 0.138E-02
56 F= -.14284378E+04 E0= -.14284536E+04 d E =-.296833E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843772684E+04 0.92692E-04 -0.12068E-01 890 0.589E-01 0.784E-02
DAV: 2 -0.142843791263E+04 -0.18578E-03 -0.24483E-03 1028 0.750E-02 0.503E-02
DAV: 3 -0.142843789912E+04 0.13506E-04 -0.67864E-05 1052 0.169E-02 0.291E-02
DAV: 4 -0.142843789965E+04 -0.53483E-06 -0.35326E-05 828 0.123E-02
57 F= -.14284379E+04 E0= -.14284537E+04 d E =-.386336E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843788907E+04 0.10053E-04 -0.11986E-02 890 0.186E-01 0.225E-02
DAV: 2 -0.142843790767E+04 -0.18609E-04 -0.24495E-04 1012 0.236E-02 0.152E-02
DAV: 3 -0.142843790579E+04 0.18864E-05 -0.57290E-06 500 0.513E-03
58 F= -.14284379E+04 E0= -.14284537E+04 d E =-.392470E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843813386E+04 -0.22618E-03 -0.61328E-02 890 0.419E-01 0.535E-02
DAV: 2 -0.142843823819E+04 -0.10433E-03 -0.13324E-03 1012 0.558E-02 0.350E-02
DAV: 3 -0.142843822868E+04 0.95147E-05 -0.34674E-05 844 0.127E-02
59 F= -.14284382E+04 E0= -.14284540E+04 d E =-.322890E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843823524E+04 0.29570E-05 -0.82617E-02 890 0.487E-01 0.668E-02
DAV: 2 -0.142843836363E+04 -0.12840E-03 -0.17036E-03 1020 0.632E-02 0.427E-02
DAV: 3 -0.142843835273E+04 0.10904E-04 -0.50634E-05 988 0.149E-02 0.249E-02
DAV: 4 -0.142843835255E+04 0.17621E-06 -0.27523E-05 732 0.107E-02
60 F= -.14284384E+04 E0= -.14284542E+04 d E =-.446764E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843851597E+04 -0.16324E-03 -0.51154E-02 890 0.381E-01 0.508E-02
DAV: 2 -0.142843860162E+04 -0.85650E-04 -0.10988E-03 1020 0.503E-02 0.319E-02
DAV: 3 -0.142843859498E+04 0.66403E-05 -0.27598E-05 788 0.113E-02
61 F= -.14284386E+04 E0= -.14284544E+04 d E =-.242426E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843836480E+04 0.23682E-03 -0.25440E-01 890 0.850E-01 0.113E-01
DAV: 2 -0.142843876901E+04 -0.40421E-03 -0.52909E-03 1020 0.110E-01 0.714E-02
DAV: 3 -0.142843873769E+04 0.31317E-04 -0.14620E-04 1060 0.245E-02 0.416E-02
DAV: 4 -0.142843873794E+04 -0.25139E-06 -0.79653E-05 996 0.176E-02
62 F= -.14284387E+04 E0= -.14284545E+04 d E =-.385392E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843870270E+04 0.34997E-04 -0.33546E-02 890 0.309E-01 0.380E-02
DAV: 2 -0.142843875454E+04 -0.51844E-04 -0.69498E-04 1020 0.398E-02 0.250E-02
DAV: 3 -0.142843874937E+04 0.51696E-05 -0.17162E-05 636 0.853E-03
63 F= -.14284387E+04 E0= -.14284546E+04 d E =-.396818E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843894714E+04 -0.19260E-03 -0.40023E-02 890 0.339E-01 0.427E-02
DAV: 2 -0.142843901933E+04 -0.72191E-04 -0.91559E-04 1012 0.462E-02 0.288E-02
DAV: 3 -0.142843901247E+04 0.68646E-05 -0.23708E-05 748 0.105E-02
64 F= -.14284390E+04 E0= -.14284548E+04 d E =-.263097E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843902928E+04 -0.99506E-05 -0.64971E-02 890 0.432E-01 0.595E-02
DAV: 2 -0.142843913366E+04 -0.10438E-03 -0.13927E-03 1028 0.572E-02 0.389E-02
DAV: 3 -0.142843912440E+04 0.92557E-05 -0.44118E-05 940 0.135E-02
65 F= -.14284391E+04 E0= -.14284549E+04 d E =-.375032E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843927933E+04 -0.14567E-03 -0.28840E-02 890 0.287E-01 0.408E-02
DAV: 2 -0.142843932225E+04 -0.42920E-04 -0.58832E-04 1020 0.372E-02 0.260E-02
DAV: 3 -0.142843931903E+04 0.32214E-05 -0.17127E-05 652 0.889E-03
66 F= -.14284393E+04 E0= -.14284551E+04 d E =-.194625E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843917634E+04 0.14591E-03 -0.23172E-01 890 0.813E-01 0.107E-01
DAV: 2 -0.142843954984E+04 -0.37351E-03 -0.48717E-03 1012 0.106E-01 0.700E-02
DAV: 3 -0.142843951971E+04 0.30131E-04 -0.13611E-04 1076 0.245E-02 0.418E-02
DAV: 4 -0.142843952011E+04 -0.39445E-06 -0.80282E-05 1004 0.181E-02
67 F= -.14284395E+04 E0= -.14284553E+04 d E =-.395704E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843950061E+04 0.19102E-04 -0.14038E-02 890 0.200E-01 0.239E-02
DAV: 2 -0.142843952174E+04 -0.21126E-04 -0.29148E-04 1004 0.259E-02 0.165E-02
DAV: 3 -0.142843951911E+04 0.26309E-05 -0.74846E-06 508 0.580E-03
68 F= -.14284395E+04 E0= -.14284553E+04 d E =-.394703E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843972277E+04 -0.20104E-03 -0.36267E-02 890 0.322E-01 0.411E-02
DAV: 2 -0.142843978544E+04 -0.62670E-04 -0.81038E-04 1020 0.436E-02 0.263E-02
DAV: 3 -0.142843977990E+04 0.55464E-05 -0.20607E-05 684 0.963E-03
69 F= -.14284398E+04 E0= -.14284556E+04 d E =-.260792E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843980261E+04 -0.17167E-04 -0.87982E-02 890 0.502E-01 0.682E-02
DAV: 2 -0.142843994174E+04 -0.13913E-03 -0.18704E-03 1020 0.664E-02 0.429E-02
DAV: 3 -0.142843993044E+04 0.11291E-04 -0.59102E-05 1036 0.152E-02 0.247E-02
DAV: 4 -0.142843992991E+04 0.53496E-06 -0.25683E-05 676 0.109E-02
70 F= -.14284399E+04 E0= -.14284557E+04 d E =-.410805E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844008786E+04 -0.15742E-03 -0.35121E-02 890 0.316E-01 0.425E-02
DAV: 2 -0.142844014529E+04 -0.57422E-04 -0.74975E-04 1012 0.417E-02 0.276E-02
DAV: 3 -0.142844014043E+04 0.48560E-05 -0.18641E-05 684 0.986E-03
71 F= -.14284401E+04 E0= -.14284559E+04 d E =-.210521E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142843986544E+04 0.27985E-03 -0.31360E-01 890 0.945E-01 0.125E-01
DAV: 2 -0.142844035755E+04 -0.49211E-03 -0.64734E-03 1004 0.122E-01 0.819E-02
DAV: 3 -0.142844031642E+04 0.41128E-04 -0.18368E-04 1084 0.284E-02 0.483E-02
DAV: 4 -0.142844031565E+04 0.76898E-06 -0.10851E-04 996 0.205E-02 0.140E-02
DAV: 5 -0.142844031507E+04 0.58455E-06 -0.15711E-05 588 0.921E-03
72 F= -.14284403E+04 E0= -.14284560E+04 d E =-.385159E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844030395E+04 0.11704E-04 -0.23560E-02 890 0.259E-01 0.333E-02
DAV: 2 -0.142844033913E+04 -0.35178E-04 -0.48186E-04 1004 0.336E-02 0.222E-02
DAV: 3 -0.142844033538E+04 0.37461E-05 -0.12607E-05 548 0.787E-03
73 F= -.14284403E+04 E0= -.14284561E+04 d E =-.405471E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844053675E+04 -0.19762E-03 -0.46988E-02 890 0.365E-01 0.458E-02
DAV: 2 -0.142844061612E+04 -0.79376E-04 -0.10151E-03 996 0.482E-02 0.294E-02
DAV: 3 -0.142844060960E+04 0.65260E-05 -0.23215E-05 748 0.105E-02
74 F= -.14284406E+04 E0= -.14284563E+04 d E =-.274215E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844034691E+04 0.26921E-03 -0.39579E-01 890 0.106E+00 0.141E-01
DAV: 2 -0.142844097486E+04 -0.62795E-03 -0.82476E-03 1020 0.138E-01 0.886E-02
DAV: 3 -0.142844092915E+04 0.45711E-04 -0.22660E-04 1076 0.306E-02 0.516E-02
DAV: 4 -0.142844093080E+04 -0.16457E-05 -0.11431E-04 1004 0.217E-02 0.160E-02
DAV: 5 -0.142844092991E+04 0.89436E-06 -0.18116E-05 628 0.100E-02
75 F= -.14284409E+04 E0= -.14284566E+04 d E =-.594524E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844110185E+04 -0.17105E-03 -0.88631E-02 890 0.501E-01 0.655E-02
DAV: 2 -0.142844124996E+04 -0.14811E-03 -0.18759E-03 1012 0.653E-02 0.421E-02
DAV: 3 -0.142844123957E+04 0.10391E-04 -0.45847E-05 948 0.145E-02 0.249E-02
DAV: 4 -0.142844124022E+04 -0.64802E-06 -0.29387E-05 796 0.105E-02
76 F= -.14284412E+04 E0= -.14284569E+04 d E =-.310312E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844111401E+04 0.12556E-03 -0.26100E-01 890 0.859E-01 0.113E-01
DAV: 2 -0.142844154001E+04 -0.42601E-03 -0.55100E-03 1012 0.112E-01 0.726E-02
DAV: 3 -0.142844150871E+04 0.31301E-04 -0.14370E-04 1084 0.249E-02 0.430E-02
DAV: 4 -0.142844150959E+04 -0.87397E-06 -0.84933E-05 988 0.181E-02
77 F= -.14284415E+04 E0= -.14284572E+04 d E =-.579682E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844178480E+04 -0.27609E-03 -0.92645E-02 890 0.513E-01 0.687E-02
DAV: 2 -0.142844193805E+04 -0.15325E-03 -0.19988E-03 1020 0.683E-02 0.449E-02
DAV: 3 -0.142844192547E+04 0.12578E-04 -0.58755E-05 1036 0.163E-02 0.268E-02
DAV: 4 -0.142844192535E+04 0.11281E-06 -0.33482E-05 812 0.114E-02
78 F= -.14284419E+04 E0= -.14284576E+04 d E =-.415768E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844199802E+04 -0.72550E-04 -0.15420E-02 890 0.209E-01 0.288E-02
DAV: 2 -0.142844202397E+04 -0.25953E-04 -0.33758E-04 1028 0.282E-02 0.186E-02
DAV: 3 -0.142844202173E+04 0.22421E-05 -0.82867E-06 516 0.682E-03
79 F= -.14284420E+04 E0= -.14284577E+04 d E =-.512141E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844200406E+04 0.19909E-04 -0.60789E-02 890 0.416E-01 0.559E-02
DAV: 2 -0.142844209782E+04 -0.93759E-04 -0.12619E-03 1036 0.544E-02 0.363E-02
DAV: 3 -0.142844208990E+04 0.79180E-05 -0.36944E-05 876 0.127E-02
80 F= -.14284421E+04 E0= -.14284578E+04 d E =-.580315E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844226904E+04 -0.17122E-03 -0.70504E-02 890 0.444E-01 0.611E-02
DAV: 2 -0.142844237630E+04 -0.10726E-03 -0.14260E-03 1012 0.570E-02 0.384E-02
DAV: 3 -0.142844236847E+04 0.78307E-05 -0.38774E-05 916 0.131E-02
81 F= -.14284424E+04 E0= -.14284580E+04 d E =-.278565E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844196788E+04 0.40842E-03 -0.46967E-01 890 0.115E+00 0.153E-01
DAV: 2 -0.142844270323E+04 -0.73536E-03 -0.96026E-03 1004 0.147E-01 0.970E-02
DAV: 3 -0.142844264850E+04 0.54736E-04 -0.25815E-04 1060 0.331E-02 0.560E-02
DAV: 4 -0.142844265099E+04 -0.24892E-05 -0.13612E-04 996 0.230E-02 0.164E-02
DAV: 5 -0.142844265012E+04 0.86807E-06 -0.21212E-05 668 0.106E-02
82 F= -.14284427E+04 E0= -.14284583E+04 d E =-.560217E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844288169E+04 -0.23070E-03 -0.10857E-01 890 0.552E-01 0.727E-02
DAV: 2 -0.142844306458E+04 -0.18289E-03 -0.22985E-03 1012 0.724E-02 0.465E-02
DAV: 3 -0.142844305159E+04 0.12988E-04 -0.55236E-05 996 0.166E-02 0.278E-02
DAV: 4 -0.142844305221E+04 -0.61921E-06 -0.35129E-05 868 0.119E-02
83 F= -.14284431E+04 E0= -.14284587E+04 d E =-.402090E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844288324E+04 0.16835E-03 -0.34901E-01 890 0.990E-01 0.131E-01
DAV: 2 -0.142844345563E+04 -0.57239E-03 -0.73697E-03 1012 0.130E-01 0.840E-02
DAV: 3 -0.142844341233E+04 0.43295E-04 -0.18778E-04 1060 0.301E-02 0.504E-02
DAV: 4 -0.142844341333E+04 -0.99750E-06 -0.11693E-04 1012 0.218E-02 0.164E-02
DAV: 5 -0.142844341232E+04 0.10152E-05 -0.19083E-05 644 0.102E-02
84 F= -.14284434E+04 E0= -.14284590E+04 d E =-.762195E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844369256E+04 -0.27923E-03 -0.49422E-02 890 0.375E-01 0.498E-02
DAV: 2 -0.142844377844E+04 -0.85884E-04 -0.10874E-03 1020 0.500E-02 0.327E-02
DAV: 3 -0.142844377126E+04 0.71863E-05 -0.29481E-05 812 0.118E-02
85 F= -.14284438E+04 E0= -.14284594E+04 d E =-.358943E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844378922E+04 -0.10772E-04 -0.10544E-01 890 0.547E-01 0.753E-02
DAV: 2 -0.142844395693E+04 -0.16772E-03 -0.22311E-03 1028 0.721E-02 0.491E-02
DAV: 3 -0.142844394221E+04 0.14725E-04 -0.70223E-05 1060 0.172E-02 0.286E-02
DAV: 4 -0.142844394155E+04 0.66067E-06 -0.35437E-05 844 0.117E-02
86 F= -.14284439E+04 E0= -.14284595E+04 d E =-.529231E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844410332E+04 -0.16111E-03 -0.48911E-02 890 0.372E-01 0.501E-02
DAV: 2 -0.142844418617E+04 -0.82852E-04 -0.10558E-03 1020 0.490E-02 0.312E-02
DAV: 3 -0.142844417990E+04 0.62745E-05 -0.25375E-05 796 0.111E-02
87 F= -.14284442E+04 E0= -.14284598E+04 d E =-.238352E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844385153E+04 0.33464E-03 -0.31827E-01 890 0.948E-01 0.127E-01
DAV: 2 -0.142844436505E+04 -0.51352E-03 -0.66756E-03 1020 0.123E-01 0.796E-02
DAV: 3 -0.142844432665E+04 0.38401E-04 -0.18107E-04 1068 0.274E-02 0.461E-02
DAV: 4 -0.142844432727E+04 -0.61929E-06 -0.96955E-05 996 0.195E-02
88 F= -.14284443E+04 E0= -.14284599E+04 d E =-.385727E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844427757E+04 0.49087E-04 -0.49663E-02 890 0.375E-01 0.465E-02
DAV: 2 -0.142844435639E+04 -0.78827E-04 -0.10371E-03 1020 0.484E-02 0.305E-02
DAV: 3 -0.142844434924E+04 0.71558E-05 -0.26460E-05 804 0.104E-02
89 F= -.14284443E+04 E0= -.14284600E+04 d E =-.407692E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844459175E+04 -0.23536E-03 -0.29399E-02 890 0.290E-01 0.370E-02
DAV: 2 -0.142844464383E+04 -0.52080E-04 -0.68602E-04 1036 0.400E-02 0.242E-02
DAV: 3 -0.142844463840E+04 0.54359E-05 -0.17228E-05 660 0.905E-03
90 F= -.14284446E+04 E0= -.14284602E+04 d E =-.289159E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844469432E+04 -0.50485E-04 -0.34841E-02 890 0.316E-01 0.450E-02
DAV: 2 -0.142844474627E+04 -0.51947E-04 -0.74548E-04 1052 0.421E-02 0.283E-02
DAV: 3 -0.142844474094E+04 0.53266E-05 -0.22993E-05 716 0.101E-02
91 F= -.14284447E+04 E0= -.14284604E+04 d E =-.391700E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844489332E+04 -0.14706E-03 -0.27233E-02 890 0.279E-01 0.393E-02
DAV: 2 -0.142844493587E+04 -0.42544E-04 -0.58416E-04 1028 0.371E-02 0.256E-02
DAV: 3 -0.142844493171E+04 0.41526E-05 -0.19258E-05 716 0.955E-03
92 F= -.14284449E+04 E0= -.14284605E+04 d E =-.190776E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844495098E+04 -0.15115E-04 -0.22648E-02 890 0.254E-01 0.363E-02
DAV: 2 -0.142844498589E+04 -0.34906E-04 -0.47754E-04 1020 0.333E-02 0.237E-02
DAV: 3 -0.142844498248E+04 0.34083E-05 -0.14786E-05 652 0.845E-03
93 F= -.14284450E+04 E0= -.14284606E+04 d E =-.241541E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844514279E+04 -0.15691E-03 -0.32591E-02 890 0.303E-01 0.419E-02
DAV: 2 -0.142844519545E+04 -0.52654E-04 -0.70473E-04 1044 0.403E-02 0.260E-02
DAV: 3 -0.142844519124E+04 0.42094E-05 -0.19523E-05 692 0.905E-03
94 F= -.14284452E+04 E0= -.14284608E+04 d E =-.208759E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844519420E+04 0.12458E-05 -0.58695E-02 890 0.407E-01 0.562E-02
DAV: 2 -0.142844528825E+04 -0.94043E-04 -0.12544E-03 1036 0.536E-02 0.349E-02
DAV: 3 -0.142844528085E+04 0.73990E-05 -0.35619E-05 892 0.120E-02
95 F= -.14284453E+04 E0= -.14284609E+04 d E =-.298366E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844543784E+04 -0.14960E-03 -0.31187E-02 890 0.294E-01 0.414E-02
DAV: 2 -0.142844548347E+04 -0.45627E-04 -0.62804E-04 1020 0.382E-02 0.262E-02
DAV: 3 -0.142844547990E+04 0.35712E-05 -0.17997E-05 652 0.886E-03
96 F= -.14284455E+04 E0= -.14284611E+04 d E =-.199052E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844541186E+04 0.71614E-04 -0.16087E-01 890 0.669E-01 0.885E-02
DAV: 2 -0.142844566368E+04 -0.25182E-03 -0.33220E-03 1012 0.870E-02 0.569E-02
DAV: 3 -0.142844564439E+04 0.19284E-04 -0.93837E-05 1060 0.192E-02 0.334E-02
DAV: 4 -0.142844564476E+04 -0.36553E-06 -0.51104E-05 940 0.140E-02
97 F= -.14284456E+04 E0= -.14284613E+04 d E =-.363914E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844579832E+04 -0.15393E-03 -0.31046E-02 890 0.294E-01 0.395E-02
DAV: 2 -0.142844585178E+04 -0.53455E-04 -0.67201E-04 1012 0.389E-02 0.255E-02
DAV: 3 -0.142844584769E+04 0.40813E-05 -0.14881E-05 644 0.893E-03
98 F= -.14284458E+04 E0= -.14284615E+04 d E =-.202935E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844573724E+04 0.11454E-03 -0.27566E-01 890 0.876E-01 0.115E-01
DAV: 2 -0.142844617998E+04 -0.44274E-03 -0.57408E-03 1012 0.114E-01 0.747E-02
DAV: 3 -0.142844614638E+04 0.33599E-04 -0.15093E-04 1076 0.251E-02 0.437E-02
DAV: 4 -0.142844614663E+04 -0.25205E-06 -0.84058E-05 996 0.181E-02
99 F= -.14284461E+04 E0= -.14284617E+04 d E =-.501873E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142844637397E+04 -0.22758E-03 -0.65528E-02 890 0.426E-01 0.583E-02
DAV: 2 -0.142844648869E+04 -0.11473E-03 -0.14509E-03 1028 0.566E-02 0.366E-02
DAV: 3 -0.142844647967E+04 0.90222E-05 -0.34952E-05 884 0.127E-02
100 F= -.14284465E+04 E0= -.14284620E+04 d E =-.333039E-03