Stage_1/0.005_+e2 OSZICAR.out output for 742: XXX MT amorphous(poly(oxydiphenylene_pyromellitide)) from job 738
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.393473068364E+04 0.39347E+04 -0.28917E+05 896 0.111E+03
DAV: 2 -0.105532511887E+04 -0.49901E+04 -0.48079E+04 1152 0.298E+02
DAV: 3 -0.152577357711E+04 -0.47045E+03 -0.46553E+03 1032 0.968E+01
DAV: 4 -0.153769811346E+04 -0.11925E+02 -0.11872E+02 1096 0.166E+01
DAV: 5 -0.153808365099E+04 -0.38554E+00 -0.38489E+00 1104 0.279E+00 0.625E+01
DAV: 6 -0.144826370191E+04 0.89820E+02 -0.17309E+02 1008 0.196E+01 0.340E+01
DAV: 7 -0.143048413982E+04 0.17780E+02 -0.47719E+01 1072 0.113E+01 0.159E+01
DAV: 8 -0.142863995373E+04 0.18442E+01 -0.10662E+01 1040 0.497E+00 0.581E+00
DAV: 9 -0.142858792147E+04 0.52032E-01 -0.13009E+00 1056 0.236E+00 0.198E+00
DAV: 10 -0.142858517345E+04 0.27480E-02 -0.34182E-01 992 0.114E+00 0.702E-01
DAV: 11 -0.142859182638E+04 -0.66529E-02 -0.79811E-02 1032 0.493E-01 0.399E-01
DAV: 12 -0.142859274639E+04 -0.92001E-03 -0.11032E-02 984 0.240E-01 0.232E-01
DAV: 13 -0.142859184605E+04 0.90035E-03 -0.63388E-03 976 0.209E-01 0.112E-01
DAV: 14 -0.142859020599E+04 0.16401E-02 -0.32440E-03 1072 0.151E-01 0.675E-02
DAV: 15 -0.142858967312E+04 0.53287E-03 -0.13907E-03 1032 0.851E-02 0.418E-02
DAV: 16 -0.142858949282E+04 0.18030E-03 -0.22778E-04 1072 0.386E-02 0.249E-02
DAV: 17 -0.142858941171E+04 0.81111E-04 -0.36550E-05 1016 0.277E-02 0.129E-02
DAV: 18 -0.142858937078E+04 0.40924E-04 -0.25584E-05 952 0.268E-02 0.786E-03
DAV: 19 -0.142858935120E+04 0.19579E-04 -0.41902E-05 1104 0.237E-02 0.622E-03
DAV: 20 -0.142858934232E+04 0.88883E-05 -0.25202E-05 864 0.160E-02
1 F= -.14285893E+04 E0= -.14286057E+04 d E =-.142859E+04
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142837272089E+04 0.21663E+00 -0.24186E+01 912 0.807E+00 0.147E+00
DAV: 2 -0.142843798925E+04 -0.65268E-01 -0.91353E-01 1056 0.134E+00 0.866E-01
DAV: 3 -0.142842662609E+04 0.11363E-01 -0.27755E-02 1040 0.320E-01 0.511E-01
DAV: 4 -0.142842379727E+04 0.28288E-02 -0.15223E-02 1032 0.234E-01 0.173E-01
DAV: 5 -0.142842387839E+04 -0.81117E-04 -0.32938E-03 1048 0.105E-01 0.753E-02
DAV: 6 -0.142842381756E+04 0.60824E-04 -0.32312E-04 1016 0.374E-02 0.396E-02
DAV: 7 -0.142842377845E+04 0.39110E-04 -0.77930E-05 1072 0.208E-02 0.224E-02
DAV: 8 -0.142842375154E+04 0.26916E-04 -0.17871E-05 760 0.161E-02 0.903E-03
DAV: 9 -0.142842373464E+04 0.16897E-04 -0.14838E-05 768 0.163E-02 0.550E-03
DAV: 10 -0.142842372495E+04 0.96898E-05 -0.18507E-05 808 0.169E-02
2 F= -.14284237E+04 E0= -.14284416E+04 d E =0.165617E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142856791043E+04 -0.14418E+00 -0.15042E+01 912 0.636E+00 0.116E+00
DAV: 2 -0.142861080718E+04 -0.42897E-01 -0.60096E-01 1064 0.108E+00 0.700E-01
DAV: 3 -0.142860358956E+04 0.72176E-02 -0.16856E-02 1040 0.250E-01 0.434E-01
DAV: 4 -0.142860155687E+04 0.20327E-02 -0.10756E-02 1040 0.192E-01 0.150E-01
DAV: 5 -0.142860160701E+04 -0.50138E-04 -0.23262E-03 1048 0.891E-02 0.621E-02
DAV: 6 -0.142860156569E+04 0.41326E-04 -0.22752E-04 1032 0.310E-02 0.329E-02
DAV: 7 -0.142860153935E+04 0.26336E-04 -0.56122E-05 1048 0.173E-02 0.191E-02
DAV: 8 -0.142860152089E+04 0.18464E-04 -0.11200E-05 704 0.122E-02 0.781E-03
DAV: 9 -0.142860150903E+04 0.11854E-04 -0.10041E-05 688 0.123E-02 0.465E-03
DAV: 10 -0.142860150127E+04 0.77656E-05 -0.12058E-05 720 0.141E-02
3 F= -.14286015E+04 E0= -.14286183E+04 d E =-.121590E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142860717498E+04 -0.56659E-02 -0.44090E+00 912 0.361E+00 0.588E-01
DAV: 2 -0.142861666917E+04 -0.94942E-02 -0.12924E-01 1032 0.551E-01 0.389E-01
DAV: 3 -0.142861509954E+04 0.15696E-02 -0.44601E-03 1032 0.147E-01 0.241E-01
DAV: 4 -0.142861494938E+04 0.15016E-03 -0.39009E-03 1000 0.111E-01 0.897E-02
DAV: 5 -0.142861492900E+04 0.20381E-04 -0.49048E-04 1120 0.488E-02 0.435E-02
DAV: 6 -0.142861492493E+04 0.40656E-05 -0.12714E-04 1040 0.216E-02 0.233E-02
DAV: 7 -0.142861491903E+04 0.59040E-05 -0.17222E-05 680 0.104E-02
4 F= -.14286149E+04 E0= -.14286313E+04 d E =-.134178E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861546147E+04 -0.53654E-03 -0.16615E-01 912 0.702E-01 0.114E-01
DAV: 2 -0.142861580031E+04 -0.33883E-03 -0.47767E-03 1032 0.106E-01 0.752E-02
DAV: 3 -0.142861574114E+04 0.59169E-04 -0.16249E-04 1032 0.281E-02 0.466E-02
DAV: 4 -0.142861573464E+04 0.65000E-05 -0.14531E-04 1008 0.217E-02 0.172E-02
DAV: 5 -0.142861573340E+04 0.12410E-05 -0.18227E-05 672 0.977E-03
5 F= -.14286157E+04 E0= -.14286320E+04 d E =-.142321E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142860096334E+04 0.14771E-01 -0.41032E+00 912 0.344E+00 0.535E-01
DAV: 2 -0.142860894411E+04 -0.79808E-02 -0.11622E-01 1048 0.510E-01 0.313E-01
DAV: 3 -0.142860782005E+04 0.11241E-02 -0.35968E-03 1056 0.122E-01 0.192E-01
DAV: 4 -0.142860766498E+04 0.15507E-03 -0.25644E-03 1024 0.939E-02 0.701E-02
DAV: 5 -0.142860766226E+04 0.27134E-05 -0.41669E-04 1024 0.409E-02 0.326E-02
DAV: 6 -0.142860766290E+04 -0.63446E-06 -0.78207E-05 1016 0.153E-02
6 F= -.14286077E+04 E0= -.14286239E+04 d E =0.807050E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861738802E+04 -0.97258E-02 -0.16151E+00 912 0.216E+00 0.336E-01
DAV: 2 -0.142862051755E+04 -0.31295E-02 -0.46507E-02 1040 0.321E-01 0.198E-01
DAV: 3 -0.142862006003E+04 0.45752E-03 -0.14282E-03 1048 0.772E-02 0.122E-01
DAV: 4 -0.142861998648E+04 0.73543E-04 -0.10549E-03 1024 0.597E-02 0.454E-02
DAV: 5 -0.142861998572E+04 0.76216E-06 -0.16868E-04 1016 0.261E-02 0.204E-02
DAV: 6 -0.142861998531E+04 0.40916E-06 -0.30623E-05 760 0.957E-03
7 F= -.14286200E+04 E0= -.14286362E+04 d E =-.425192E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862111219E+04 -0.11265E-02 -0.43836E-01 912 0.113E+00 0.153E-01
DAV: 2 -0.142862205423E+04 -0.94204E-03 -0.11874E-02 1064 0.165E-01 0.954E-02
DAV: 3 -0.142862198064E+04 0.73594E-04 -0.41594E-04 1072 0.372E-02 0.583E-02
DAV: 4 -0.142862195733E+04 0.23313E-04 -0.14739E-04 1024 0.245E-02 0.200E-02
DAV: 5 -0.142862195666E+04 0.66432E-06 -0.29071E-05 760 0.124E-02
8 F= -.14286220E+04 E0= -.14286381E+04 d E =-.197135E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862196194E+04 -0.46161E-05 -0.17570E-03 912 0.718E-02 0.972E-03
DAV: 2 -0.142862196400E+04 -0.20554E-05 -0.43898E-05 808 0.107E-02
9 F= -.14286220E+04 E0= -.14286381E+04 d E =-.197869E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862306243E+04 -0.11005E-02 -0.24690E-01 912 0.840E-01 0.110E-01
DAV: 2 -0.142862356251E+04 -0.50008E-03 -0.61172E-03 1032 0.116E-01 0.704E-02
DAV: 3 -0.142862352850E+04 0.34010E-04 -0.18708E-04 1080 0.260E-02 0.439E-02
DAV: 4 -0.142862351920E+04 0.93017E-05 -0.84322E-05 976 0.178E-02
10 F= -.14286235E+04 E0= -.14286397E+04 d E =-.155520E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862359597E+04 -0.67466E-04 -0.32723E-02 912 0.306E-01 0.431E-02
DAV: 2 -0.142862366227E+04 -0.66300E-04 -0.81091E-04 1040 0.421E-02 0.272E-02
DAV: 3 -0.142862365776E+04 0.45071E-05 -0.22664E-05 696 0.996E-03
11 F= -.14286237E+04 E0= -.14286398E+04 d E =-.169376E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862444686E+04 -0.78459E-03 -0.27132E-01 912 0.879E-01 0.118E-01
DAV: 2 -0.142862500275E+04 -0.55589E-03 -0.67184E-03 1040 0.121E-01 0.696E-02
DAV: 3 -0.142862497565E+04 0.27100E-04 -0.20758E-04 1072 0.260E-02 0.421E-02
DAV: 4 -0.142862497375E+04 0.18937E-05 -0.63057E-05 976 0.162E-02
12 F= -.14286250E+04 E0= -.14286411E+04 d E =-.131599E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862502049E+04 -0.44842E-04 -0.12010E-02 912 0.184E-01 0.275E-02
DAV: 2 -0.142862504459E+04 -0.24100E-04 -0.29457E-04 1040 0.253E-02 0.152E-02
DAV: 3 -0.142862504341E+04 0.11742E-05 -0.75279E-06 528 0.569E-03
13 F= -.14286250E+04 E0= -.14286412E+04 d E =-.138565E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862561782E+04 -0.57323E-03 -0.11515E-01 912 0.569E-01 0.760E-02
DAV: 2 -0.142862583786E+04 -0.22004E-03 -0.27929E-03 1064 0.788E-02 0.455E-02
DAV: 3 -0.142862582254E+04 0.15325E-04 -0.81001E-05 1064 0.170E-02 0.271E-02
DAV: 4 -0.142862582040E+04 0.21372E-05 -0.32880E-05 856 0.116E-02
14 F= -.14286258E+04 E0= -.14286421E+04 d E =-.776985E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862588899E+04 -0.66454E-04 -0.32402E-02 912 0.302E-01 0.416E-02
DAV: 2 -0.142862595125E+04 -0.62261E-04 -0.78869E-04 1064 0.420E-02 0.245E-02
DAV: 3 -0.142862594668E+04 0.45698E-05 -0.20254E-05 688 0.927E-03
15 F= -.14286259E+04 E0= -.14286422E+04 d E =-.903268E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862638476E+04 -0.43351E-03 -0.11484E-01 912 0.567E-01 0.741E-02
DAV: 2 -0.142862659285E+04 -0.20809E-03 -0.25798E-03 1040 0.747E-02 0.466E-02
DAV: 3 -0.142862657922E+04 0.13636E-04 -0.74881E-05 1064 0.160E-02 0.276E-02
DAV: 4 -0.142862657667E+04 0.25445E-05 -0.24906E-05 680 0.108E-02
16 F= -.14286266E+04 E0= -.14286429E+04 d E =-.629989E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862661797E+04 -0.38753E-04 -0.39729E-02 896 0.333E-01 0.440E-02
DAV: 2 -0.142862669175E+04 -0.73780E-04 -0.90406E-04 1040 0.443E-02 0.271E-02
DAV: 3 -0.142862668698E+04 0.47709E-05 -0.22939E-05 720 0.947E-03
17 F= -.14286267E+04 E0= -.14286431E+04 d E =-.740296E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862710198E+04 -0.41023E-03 -0.80199E-02 896 0.473E-01 0.609E-02
DAV: 2 -0.142862724306E+04 -0.14108E-03 -0.17337E-03 1024 0.615E-02 0.379E-02
DAV: 3 -0.142862723595E+04 0.71125E-05 -0.44909E-05 928 0.125E-02
18 F= -.14286272E+04 E0= -.14286436E+04 d E =-.548971E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862717997E+04 0.63094E-04 -0.28084E-01 896 0.885E-01 0.113E-01
DAV: 2 -0.142862767164E+04 -0.49168E-03 -0.60610E-03 1032 0.115E-01 0.707E-02
DAV: 3 -0.142862764665E+04 0.24990E-04 -0.15976E-04 1064 0.234E-02 0.418E-02
DAV: 4 -0.142862764394E+04 0.27123E-05 -0.66758E-05 984 0.171E-02
19 F= -.14286276E+04 E0= -.14286440E+04 d E =-.956963E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862804342E+04 -0.39677E-03 -0.86327E-02 896 0.489E-01 0.626E-02
DAV: 2 -0.142862819112E+04 -0.14770E-03 -0.18107E-03 1032 0.629E-02 0.389E-02
DAV: 3 -0.142862818367E+04 0.74487E-05 -0.46441E-05 984 0.129E-02
20 F= -.14286282E+04 E0= -.14286446E+04 d E =-.539735E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862768390E+04 0.50722E-03 -0.61002E-01 896 0.130E+00 0.164E-01
DAV: 2 -0.142862869246E+04 -0.10086E-02 -0.12532E-02 1024 0.165E-01 0.104E-01
DAV: 3 -0.142862863728E+04 0.55186E-04 -0.33440E-04 1096 0.336E-02 0.606E-02
DAV: 4 -0.142862863347E+04 0.38056E-05 -0.12506E-04 1024 0.232E-02 0.159E-02
DAV: 5 -0.142862863463E+04 -0.11588E-05 -0.24231E-05 704 0.993E-03
21 F= -.14286286E+04 E0= -.14286450E+04 d E =-.990692E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862892167E+04 -0.28819E-03 -0.93980E-02 896 0.510E-01 0.645E-02
DAV: 2 -0.142862908308E+04 -0.16141E-03 -0.19645E-03 1016 0.653E-02 0.407E-02
DAV: 3 -0.142862907438E+04 0.86989E-05 -0.46563E-05 968 0.134E-02
22 F= -.14286291E+04 E0= -.14286455E+04 d E =-.439747E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862841440E+04 0.66868E-03 -0.79497E-01 896 0.148E+00 0.189E-01
DAV: 2 -0.142862970242E+04 -0.12880E-02 -0.16205E-02 1016 0.188E-01 0.121E-01
DAV: 3 -0.142862962630E+04 0.76127E-04 -0.41742E-04 1064 0.392E-02 0.697E-02
DAV: 4 -0.142862962505E+04 0.12462E-05 -0.17845E-04 1016 0.264E-02 0.182E-02
DAV: 5 -0.142862962604E+04 -0.98631E-06 -0.31361E-05 784 0.116E-02
23 F= -.14286296E+04 E0= -.14286461E+04 d E =-.991405E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863010963E+04 -0.48458E-03 -0.42253E-02 896 0.346E-01 0.456E-02
DAV: 2 -0.142863018642E+04 -0.76789E-04 -0.96707E-04 1032 0.470E-02 0.305E-02
DAV: 3 -0.142863018037E+04 0.60562E-05 -0.27552E-05 824 0.109E-02
24 F= -.14286302E+04 E0= -.14286467E+04 d E =-.554329E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863033040E+04 -0.14398E-03 -0.13621E-01 896 0.622E-01 0.837E-02
DAV: 2 -0.142863055663E+04 -0.22623E-03 -0.30061E-03 1040 0.831E-02 0.562E-02
DAV: 3 -0.142863053632E+04 0.20314E-04 -0.99575E-05 1080 0.196E-02 0.332E-02
DAV: 4 -0.142863053311E+04 0.32077E-05 -0.42411E-05 960 0.137E-02
25 F= -.14286305E+04 E0= -.14286470E+04 d E =-.907073E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863090892E+04 -0.37260E-03 -0.36597E-02 896 0.321E-01 0.428E-02
DAV: 2 -0.142863097395E+04 -0.65025E-04 -0.81703E-04 1048 0.429E-02 0.279E-02
DAV: 3 -0.142863096883E+04 0.51167E-05 -0.21281E-05 720 0.993E-03
26 F= -.14286310E+04 E0= -.14286475E+04 d E =-.435720E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863091802E+04 0.55929E-04 -0.32694E-01 896 0.960E-01 0.126E-01
DAV: 2 -0.142863146816E+04 -0.55014E-03 -0.70831E-03 1048 0.126E-01 0.831E-02
DAV: 3 -0.142863142264E+04 0.45516E-04 -0.21216E-04 1072 0.285E-02 0.486E-02
DAV: 4 -0.142863142114E+04 0.15011E-05 -0.97188E-05 1024 0.194E-02
27 F= -.14286314E+04 E0= -.14286480E+04 d E =-.888028E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863141118E+04 0.11455E-04 -0.16285E-02 896 0.215E-01 0.260E-02
DAV: 2 -0.142863143605E+04 -0.24865E-04 -0.35578E-04 1040 0.282E-02 0.181E-02
DAV: 3 -0.142863143271E+04 0.33396E-05 -0.10783E-05 568 0.657E-03
28 F= -.14286314E+04 E0= -.14286480E+04 d E =-.899600E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863187518E+04 -0.43913E-03 -0.42057E-02 896 0.342E-01 0.437E-02
DAV: 2 -0.142863195016E+04 -0.74981E-04 -0.95386E-04 1040 0.461E-02 0.293E-02
DAV: 3 -0.142863194284E+04 0.73200E-05 -0.26654E-05 832 0.104E-02
29 F= -.14286319E+04 E0= -.14286485E+04 d E =-.510128E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863208778E+04 -0.13762E-03 -0.11091E-01 896 0.556E-01 0.753E-02
DAV: 2 -0.142863226877E+04 -0.18099E-03 -0.23901E-03 1040 0.732E-02 0.499E-02
DAV: 3 -0.142863225086E+04 0.17913E-04 -0.77461E-05 1072 0.172E-02 0.286E-02
DAV: 4 -0.142863224956E+04 0.12917E-05 -0.32005E-05 888 0.112E-02
30 F= -.14286322E+04 E0= -.14286489E+04 d E =-.816854E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863261525E+04 -0.36440E-03 -0.59327E-02 896 0.407E-01 0.532E-02
DAV: 2 -0.142863272212E+04 -0.10687E-03 -0.13086E-03 1040 0.538E-02 0.347E-02
DAV: 3 -0.142863271458E+04 0.75441E-05 -0.32900E-05 848 0.121E-02
31 F= -.14286327E+04 E0= -.14286494E+04 d E =-.465012E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863257893E+04 0.14319E-03 -0.30796E-01 896 0.927E-01 0.122E-01
DAV: 2 -0.142863310324E+04 -0.52431E-03 -0.66215E-03 1040 0.121E-01 0.797E-02
DAV: 3 -0.142863306421E+04 0.39034E-04 -0.18454E-04 1088 0.272E-02 0.470E-02
DAV: 4 -0.142863306382E+04 0.38171E-06 -0.91309E-05 1040 0.191E-02
32 F= -.14286331E+04 E0= -.14286496E+04 d E =-.814260E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863304603E+04 0.18178E-04 -0.17765E-02 896 0.223E-01 0.270E-02
DAV: 2 -0.142863307419E+04 -0.28159E-04 -0.38393E-04 1040 0.292E-02 0.187E-02
DAV: 3 -0.142863307091E+04 0.32763E-05 -0.97277E-06 560 0.637E-03
33 F= -.14286331E+04 E0= -.14286496E+04 d E =-.821346E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863342386E+04 -0.34967E-03 -0.79290E-02 896 0.471E-01 0.619E-02
DAV: 2 -0.142863357399E+04 -0.15013E-03 -0.18965E-03 1024 0.649E-02 0.399E-02
DAV: 3 -0.142863356134E+04 0.12648E-04 -0.53653E-05 1040 0.141E-02 0.236E-02
DAV: 4 -0.142863355924E+04 0.21002E-05 -0.21828E-05 656 0.994E-03
34 F= -.14286336E+04 E0= -.14286500E+04 d E =-.488335E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863360346E+04 -0.42113E-04 -0.24436E-02 896 0.261E-01 0.367E-02
DAV: 2 -0.142863364873E+04 -0.45272E-04 -0.57720E-04 1048 0.359E-02 0.227E-02
DAV: 3 -0.142863364498E+04 0.37518E-05 -0.14682E-05 624 0.812E-03
35 F= -.14286336E+04 E0= -.14286500E+04 d E =-.574068E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863394819E+04 -0.29946E-03 -0.61376E-02 896 0.415E-01 0.548E-02
DAV: 2 -0.142863405516E+04 -0.10697E-03 -0.13617E-03 1056 0.550E-02 0.361E-02
DAV: 3 -0.142863404712E+04 0.80378E-05 -0.37343E-05 880 0.122E-02
36 F= -.14286340E+04 E0= -.14286505E+04 d E =-.402142E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863406875E+04 -0.13593E-04 -0.97842E-02 896 0.524E-01 0.704E-02
DAV: 2 -0.142863423352E+04 -0.16477E-03 -0.21322E-03 1048 0.690E-02 0.462E-02
DAV: 3 -0.142863422125E+04 0.12270E-04 -0.63502E-05 1064 0.155E-02 0.273E-02
DAV: 4 -0.142863422072E+04 0.53621E-06 -0.29812E-05 776 0.112E-02
37 F= -.14286342E+04 E0= -.14286507E+04 d E =-.575740E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863443463E+04 -0.21338E-03 -0.32209E-02 896 0.299E-01 0.387E-02
DAV: 2 -0.142863449127E+04 -0.56643E-04 -0.70174E-04 1040 0.388E-02 0.248E-02
DAV: 3 -0.142863448727E+04 0.40077E-05 -0.14542E-05 656 0.830E-03
38 F= -.14286345E+04 E0= -.14286510E+04 d E =-.266548E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863437591E+04 0.11536E-03 -0.28742E-01 896 0.893E-01 0.114E-01
DAV: 2 -0.142863486287E+04 -0.48695E-03 -0.61032E-03 1040 0.114E-01 0.741E-02
DAV: 3 -0.142863483088E+04 0.31986E-04 -0.15420E-04 1064 0.239E-02 0.433E-02
DAV: 4 -0.142863483052E+04 0.35885E-06 -0.73967E-05 1024 0.180E-02
39 F= -.14286348E+04 E0= -.14286514E+04 d E =-.609804E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863512510E+04 -0.29422E-03 -0.71880E-02 896 0.447E-01 0.585E-02
DAV: 2 -0.142863525243E+04 -0.12733E-03 -0.15801E-03 1016 0.584E-02 0.376E-02
DAV: 3 -0.142863524488E+04 0.75478E-05 -0.37955E-05 936 0.126E-02
40 F= -.14286352E+04 E0= -.14286518E+04 d E =-.414358E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863464354E+04 0.60889E-03 -0.54544E-01 896 0.123E+00 0.158E-01
DAV: 2 -0.142863556895E+04 -0.92542E-03 -0.11652E-02 1016 0.158E-01 0.103E-01
DAV: 3 -0.142863551010E+04 0.58852E-04 -0.29607E-04 1064 0.335E-02 0.602E-02
DAV: 4 -0.142863550855E+04 0.15505E-05 -0.14508E-04 1024 0.257E-02 0.157E-02
DAV: 5 -0.142863550857E+04 -0.22555E-07 -0.32653E-05 856 0.120E-02
41 F= -.14286355E+04 E0= -.14286519E+04 d E =-.678050E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863548726E+04 0.21285E-04 -0.51751E-02 896 0.380E-01 0.471E-02
DAV: 2 -0.142863557372E+04 -0.86452E-04 -0.11071E-03 1016 0.489E-02 0.317E-02
DAV: 3 -0.142863556698E+04 0.67409E-05 -0.27167E-05 824 0.103E-02
42 F= -.14286356E+04 E0= -.14286520E+04 d E =-.736454E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863578660E+04 -0.21288E-03 -0.13187E-01 896 0.607E-01 0.744E-02
DAV: 2 -0.142863603198E+04 -0.24538E-03 -0.29885E-03 1016 0.800E-02 0.494E-02
DAV: 3 -0.142863601556E+04 0.16417E-04 -0.72779E-05 1072 0.163E-02 0.298E-02
DAV: 4 -0.142863601311E+04 0.24518E-05 -0.32714E-05 848 0.119E-02
43 F= -.14286360E+04 E0= -.14286524E+04 d E =-.446136E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863603793E+04 -0.22364E-04 -0.55438E-02 896 0.393E-01 0.513E-02
DAV: 2 -0.142863613783E+04 -0.99900E-04 -0.12282E-03 1024 0.514E-02 0.328E-02
DAV: 3 -0.142863613166E+04 0.61666E-05 -0.29917E-05 856 0.109E-02
44 F= -.14286361E+04 E0= -.14286525E+04 d E =-.564685E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863640053E+04 -0.26270E-03 -0.82292E-02 896 0.479E-01 0.639E-02
DAV: 2 -0.142863654238E+04 -0.14185E-03 -0.18309E-03 1032 0.635E-02 0.412E-02
DAV: 3 -0.142863653220E+04 0.10182E-04 -0.55937E-05 1040 0.141E-02 0.240E-02
DAV: 4 -0.142863653145E+04 0.74402E-06 -0.19972E-05 648 0.982E-03
45 F= -.14286365E+04 E0= -.14286529E+04 d E =-.399792E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863656000E+04 -0.27807E-04 -0.30696E-02 896 0.292E-01 0.390E-02
DAV: 2 -0.142863661547E+04 -0.55471E-04 -0.70041E-04 1032 0.392E-02 0.247E-02
DAV: 3 -0.142863661142E+04 0.40519E-05 -0.17642E-05 664 0.865E-03
46 F= -.14286366E+04 E0= -.14286530E+04 d E =-.479762E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863684562E+04 -0.23014E-03 -0.60094E-02 896 0.408E-01 0.537E-02
DAV: 2 -0.142863694719E+04 -0.10157E-03 -0.12788E-03 1024 0.527E-02 0.341E-02
DAV: 3 -0.142863694141E+04 0.57750E-05 -0.33162E-05 864 0.113E-02
47 F= -.14286369E+04 E0= -.14286533E+04 d E =-.329988E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863677873E+04 0.16846E-03 -0.28658E-01 896 0.890E-01 0.116E-01
DAV: 2 -0.142863726414E+04 -0.48541E-03 -0.61252E-03 1024 0.115E-01 0.739E-02
DAV: 3 -0.142863723612E+04 0.28019E-04 -0.16522E-04 1064 0.247E-02 0.435E-02
DAV: 4 -0.142863723726E+04 -0.11439E-05 -0.73429E-05 1016 0.176E-02
48 F= -.14286372E+04 E0= -.14286536E+04 d E =-.625838E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863743481E+04 -0.19869E-03 -0.56101E-02 896 0.393E-01 0.522E-02
DAV: 2 -0.142863753354E+04 -0.98736E-04 -0.12194E-03 1032 0.514E-02 0.328E-02
DAV: 3 -0.142863752851E+04 0.50377E-05 -0.29413E-05 832 0.113E-02
49 F= -.14286375E+04 E0= -.14286539E+04 d E =-.291245E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863708638E+04 0.44716E-03 -0.49982E-01 896 0.117E+00 0.151E-01
DAV: 2 -0.142863793386E+04 -0.84747E-03 -0.10605E-02 1016 0.151E-01 0.967E-02
DAV: 3 -0.142863788597E+04 0.47884E-04 -0.26924E-04 1064 0.315E-02 0.562E-02
DAV: 4 -0.142863788848E+04 -0.25125E-05 -0.11999E-04 1024 0.222E-02 0.151E-02
DAV: 5 -0.142863788917E+04 -0.68148E-06 -0.22612E-05 736 0.103E-02
50 F= -.14286379E+04 E0= -.14286543E+04 d E =-.651905E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863810411E+04 -0.21563E-03 -0.13000E-01 896 0.599E-01 0.761E-02
DAV: 2 -0.142863833800E+04 -0.23389E-03 -0.28202E-03 992 0.776E-02 0.481E-02
DAV: 3 -0.142863832566E+04 0.12342E-04 -0.62090E-05 1056 0.153E-02 0.281E-02
DAV: 4 -0.142863832680E+04 -0.11356E-05 -0.28760E-05 800 0.111E-02
51 F= -.14286383E+04 E0= -.14286547E+04 d E =-.437630E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863807251E+04 0.25315E-03 -0.38238E-01 896 0.103E+00 0.131E-01
DAV: 2 -0.142863874632E+04 -0.67381E-03 -0.82514E-03 992 0.133E-01 0.831E-02
DAV: 3 -0.142863870742E+04 0.38908E-04 -0.18854E-04 1080 0.268E-02 0.488E-02
DAV: 4 -0.142863870999E+04 -0.25766E-05 -0.90933E-05 1032 0.196E-02
52 F= -.14286387E+04 E0= -.14286551E+04 d E =-.820827E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863902439E+04 -0.31698E-03 -0.82640E-02 896 0.481E-01 0.637E-02
DAV: 2 -0.142863917607E+04 -0.15168E-03 -0.18804E-03 1032 0.646E-02 0.425E-02
DAV: 3 -0.142863916596E+04 0.10112E-04 -0.49841E-05 984 0.142E-02 0.258E-02
DAV: 4 -0.142863916544E+04 0.51616E-06 -0.28727E-05 800 0.108E-02
53 F= -.14286392E+04 E0= -.14286555E+04 d E =-.455450E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863924377E+04 -0.77813E-04 -0.17133E-02 896 0.219E-01 0.292E-02
DAV: 2 -0.142863927587E+04 -0.32104E-04 -0.39429E-04 1032 0.297E-02 0.194E-02
DAV: 3 -0.142863927361E+04 0.22646E-05 -0.91084E-06 560 0.666E-03
54 F= -.14286393E+04 E0= -.14286556E+04 d E =-.563618E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863919882E+04 0.77058E-04 -0.67661E-02 896 0.436E-01 0.570E-02
DAV: 2 -0.142863931664E+04 -0.11782E-03 -0.14927E-03 1032 0.576E-02 0.383E-02
DAV: 3 -0.142863930809E+04 0.85490E-05 -0.40115E-05 952 0.124E-02
55 F= -.14286393E+04 E0= -.14286556E+04 d E =-.598095E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863930676E+04 0.98741E-05 -0.85536E-03 896 0.155E-01 0.174E-02
DAV: 2 -0.142863932487E+04 -0.18107E-04 -0.21993E-04 1016 0.221E-02 0.126E-02
DAV: 3 -0.142863932324E+04 0.16318E-05 -0.45450E-06 496 0.461E-03
56 F= -.14286393E+04 E0= -.14286556E+04 d E =-.613244E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863953508E+04 -0.21021E-03 -0.48463E-02 896 0.367E-01 0.455E-02
DAV: 2 -0.142863962058E+04 -0.85497E-04 -0.10555E-03 1008 0.481E-02 0.291E-02
DAV: 3 -0.142863961497E+04 0.56067E-05 -0.24126E-05 784 0.976E-03
57 F= -.14286396E+04 E0= -.14286559E+04 d E =-.291734E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863932061E+04 0.29997E-03 -0.43216E-01 896 0.110E+00 0.141E-01
DAV: 2 -0.142864004096E+04 -0.72035E-03 -0.91000E-03 1016 0.141E-01 0.897E-02
DAV: 3 -0.142863999666E+04 0.44300E-04 -0.24304E-04 1064 0.294E-02 0.519E-02
DAV: 4 -0.142863999771E+04 -0.10550E-05 -0.10924E-04 1024 0.211E-02 0.145E-02
DAV: 5 -0.142863999770E+04 0.17637E-07 -0.19239E-05 664 0.974E-03
58 F= -.14286400E+04 E0= -.14286562E+04 d E =-.674461E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864028873E+04 -0.29101E-03 -0.70448E-02 896 0.443E-01 0.564E-02
DAV: 2 -0.142864041271E+04 -0.12398E-03 -0.15371E-03 1032 0.581E-02 0.362E-02
DAV: 3 -0.142864040460E+04 0.81031E-05 -0.38477E-05 928 0.124E-02
59 F= -.14286404E+04 E0= -.14286566E+04 d E =-.406906E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864039160E+04 0.21103E-04 -0.15081E-01 896 0.648E-01 0.849E-02
DAV: 2 -0.142864063777E+04 -0.24617E-03 -0.31738E-03 1040 0.838E-02 0.544E-02
DAV: 3 -0.142864062017E+04 0.17606E-04 -0.87409E-05 1072 0.182E-02 0.312E-02
DAV: 4 -0.142864061978E+04 0.38594E-06 -0.37841E-05 904 0.126E-02
60 F= -.14286406E+04 E0= -.14286568E+04 d E =-.622082E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864085444E+04 -0.23427E-03 -0.10001E-01 896 0.528E-01 0.685E-02
DAV: 2 -0.142864102641E+04 -0.17197E-03 -0.21688E-03 1040 0.694E-02 0.449E-02
DAV: 3 -0.142864101311E+04 0.13297E-04 -0.59422E-05 1032 0.160E-02 0.266E-02
DAV: 4 -0.142864101240E+04 0.70792E-06 -0.31537E-05 824 0.113E-02
61 F= -.14286410E+04 E0= -.14286573E+04 d E =-.392621E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864102640E+04 -0.13288E-04 -0.63226E-02 896 0.420E-01 0.547E-02
DAV: 2 -0.142864113534E+04 -0.10895E-03 -0.13723E-03 1040 0.553E-02 0.358E-02
DAV: 3 -0.142864112674E+04 0.86011E-05 -0.35819E-05 896 0.128E-02
62 F= -.14286411E+04 E0= -.14286574E+04 d E =-.506965E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864140031E+04 -0.26496E-03 -0.84063E-02 896 0.485E-01 0.653E-02
DAV: 2 -0.142864154174E+04 -0.14143E-03 -0.18329E-03 1032 0.640E-02 0.422E-02
DAV: 3 -0.142864153077E+04 0.10966E-04 -0.55072E-05 1024 0.145E-02 0.245E-02
DAV: 4 -0.142864153023E+04 0.53785E-06 -0.23355E-05 688 0.105E-02
63 F= -.14286415E+04 E0= -.14286578E+04 d E =-.403489E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864156143E+04 -0.30663E-04 -0.41589E-02 896 0.341E-01 0.454E-02
DAV: 2 -0.142864163576E+04 -0.74326E-04 -0.93368E-04 1032 0.456E-02 0.291E-02
DAV: 3 -0.142864163011E+04 0.56488E-05 -0.23299E-05 760 0.101E-02
64 F= -.14286416E+04 E0= -.14286579E+04 d E =-.503366E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864190257E+04 -0.26681E-03 -0.81960E-02 896 0.477E-01 0.643E-02
DAV: 2 -0.142864203406E+04 -0.13149E-03 -0.17332E-03 1032 0.628E-02 0.415E-02
DAV: 3 -0.142864202464E+04 0.94154E-05 -0.51201E-05 1008 0.144E-02
65 F= -.14286420E+04 E0= -.14286583E+04 d E =-.394534E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864199600E+04 0.38061E-04 -0.14723E-01 896 0.640E-01 0.877E-02
DAV: 2 -0.142864222745E+04 -0.23145E-03 -0.30894E-03 1032 0.839E-02 0.566E-02
DAV: 3 -0.142864221049E+04 0.16964E-04 -0.94651E-05 1064 0.193E-02 0.332E-02
DAV: 4 -0.142864221061E+04 -0.12295E-06 -0.45702E-05 944 0.142E-02
66 F= -.14286422E+04 E0= -.14286584E+04 d E =-.580500E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864239744E+04 -0.18695E-03 -0.80117E-02 896 0.471E-01 0.626E-02
DAV: 2 -0.142864253473E+04 -0.13728E-03 -0.17338E-03 1024 0.619E-02 0.401E-02
DAV: 3 -0.142864252634E+04 0.83847E-05 -0.44755E-05 960 0.136E-02
67 F= -.14286425E+04 E0= -.14286587E+04 d E =-.315731E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864218012E+04 0.35460E-03 -0.35088E-01 896 0.985E-01 0.130E-01
DAV: 2 -0.142864275274E+04 -0.57262E-03 -0.73728E-03 1032 0.127E-01 0.842E-02
DAV: 3 -0.142864271532E+04 0.37430E-04 -0.19700E-04 1072 0.274E-02 0.486E-02
DAV: 4 -0.142864271601E+04 -0.69286E-06 -0.94196E-05 1008 0.191E-02
68 F= -.14286427E+04 E0= -.14286589E+04 d E =-.505398E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864266001E+04 0.55301E-04 -0.43425E-02 896 0.347E-01 0.429E-02
DAV: 2 -0.142864272911E+04 -0.69098E-04 -0.91733E-04 1008 0.448E-02 0.288E-02
DAV: 3 -0.142864272306E+04 0.60520E-05 -0.22332E-05 744 0.925E-03
69 F= -.14286427E+04 E0= -.14286589E+04 d E =-.512450E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864297939E+04 -0.25028E-03 -0.84558E-02 896 0.485E-01 0.614E-02
DAV: 2 -0.142864313356E+04 -0.15417E-03 -0.19227E-03 1016 0.651E-02 0.395E-02
DAV: 3 -0.142864312178E+04 0.11785E-04 -0.47859E-05 960 0.134E-02 0.232E-02
DAV: 4 -0.142864311969E+04 0.20847E-05 -0.21189E-05 608 0.958E-03
70 F= -.14286431E+04 E0= -.14286593E+04 d E =-.396632E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864314942E+04 -0.27640E-04 -0.65307E-02 896 0.426E-01 0.570E-02
DAV: 2 -0.142864326506E+04 -0.11564E-03 -0.14518E-03 1024 0.567E-02 0.357E-02
DAV: 3 -0.142864325698E+04 0.80846E-05 -0.37267E-05 912 0.121E-02
71 F= -.14286433E+04 E0= -.14286595E+04 d E =-.533915E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864349871E+04 -0.23365E-03 -0.10669E-01 896 0.546E-01 0.723E-02
DAV: 2 -0.142864367251E+04 -0.17379E-03 -0.22300E-03 1032 0.703E-02 0.481E-02
DAV: 3 -0.142864365906E+04 0.13445E-04 -0.62870E-05 1048 0.162E-02 0.281E-02
DAV: 4 -0.142864365852E+04 0.54698E-06 -0.31709E-05 816 0.116E-02
72 F= -.14286437E+04 E0= -.14286599E+04 d E =-.401541E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864367939E+04 -0.20328E-04 -0.56636E-02 896 0.397E-01 0.522E-02
DAV: 2 -0.142864377785E+04 -0.98457E-04 -0.12282E-03 1024 0.524E-02 0.346E-02
DAV: 3 -0.142864377051E+04 0.73407E-05 -0.31241E-05 840 0.122E-02
73 F= -.14286438E+04 E0= -.14286601E+04 d E =-.513533E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864402089E+04 -0.24304E-03 -0.11436E-01 896 0.563E-01 0.757E-02
DAV: 2 -0.142864420158E+04 -0.18069E-03 -0.23536E-03 1032 0.727E-02 0.482E-02
DAV: 3 -0.142864418931E+04 0.12266E-04 -0.67799E-05 1072 0.156E-02 0.273E-02
DAV: 4 -0.142864418981E+04 -0.49746E-06 -0.28228E-05 736 0.108E-02
74 F= -.14286442E+04 E0= -.14286605E+04 d E =-.419304E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864421253E+04 -0.23215E-04 -0.91704E-02 896 0.504E-01 0.660E-02
DAV: 2 -0.142864436723E+04 -0.15470E-03 -0.19436E-03 1032 0.658E-02 0.418E-02
DAV: 3 -0.142864435714E+04 0.10089E-04 -0.50180E-05 1016 0.139E-02 0.243E-02
DAV: 4 -0.142864435714E+04 -0.19209E-08 -0.23559E-05 664 0.997E-03
75 F= -.14286444E+04 E0= -.14286606E+04 d E =-.586632E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864456969E+04 -0.21255E-03 -0.99009E-02 896 0.524E-01 0.688E-02
DAV: 2 -0.142864473648E+04 -0.16680E-03 -0.21218E-03 1032 0.688E-02 0.441E-02
DAV: 3 -0.142864472473E+04 0.11757E-04 -0.57559E-05 1016 0.148E-02 0.255E-02
DAV: 4 -0.142864472437E+04 0.35967E-06 -0.26812E-05 704 0.104E-02
76 F= -.14286447E+04 E0= -.14286610E+04 d E =-.367229E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864473844E+04 -0.13715E-04 -0.53357E-02 896 0.385E-01 0.510E-02
DAV: 2 -0.142864482939E+04 -0.90952E-04 -0.11485E-03 1032 0.507E-02 0.324E-02
DAV: 3 -0.142864482302E+04 0.63728E-05 -0.28863E-05 824 0.109E-02
77 F= -.14286448E+04 E0= -.14286611E+04 d E =-.465883E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864502140E+04 -0.19200E-03 -0.68636E-02 896 0.436E-01 0.578E-02
DAV: 2 -0.142864512864E+04 -0.10724E-03 -0.13889E-03 1008 0.553E-02 0.377E-02
DAV: 3 -0.142864512116E+04 0.74847E-05 -0.36397E-05 920 0.123E-02
78 F= -.14286451E+04 E0= -.14286614E+04 d E =-.298134E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864485257E+04 0.27607E-03 -0.36853E-01 896 0.101E+00 0.131E-01
DAV: 2 -0.142864544435E+04 -0.59178E-03 -0.75544E-03 1008 0.129E-01 0.861E-02
DAV: 3 -0.142864540243E+04 0.41925E-04 -0.19801E-04 1080 0.280E-02 0.502E-02
DAV: 4 -0.142864540185E+04 0.57743E-06 -0.10560E-04 1024 0.201E-02 0.133E-02
DAV: 5 -0.142864540164E+04 0.21443E-06 -0.17365E-05 608 0.929E-03
79 F= -.14286454E+04 E0= -.14286616E+04 d E =-.578614E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864555566E+04 -0.15381E-03 -0.38827E-02 896 0.327E-01 0.422E-02
DAV: 2 -0.142864562142E+04 -0.65754E-04 -0.81073E-04 1000 0.418E-02 0.269E-02
DAV: 3 -0.142864561732E+04 0.40942E-05 -0.15425E-05 664 0.852E-03
80 F= -.14286456E+04 E0= -.14286618E+04 d E =-.215687E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864557454E+04 0.46873E-04 -0.34664E-01 896 0.976E-01 0.126E-01
DAV: 2 -0.142864612791E+04 -0.55336E-03 -0.70585E-03 1008 0.124E-01 0.808E-02
DAV: 3 -0.142864609118E+04 0.36732E-04 -0.16799E-04 1080 0.254E-02 0.463E-02
DAV: 4 -0.142864609212E+04 -0.94353E-06 -0.82868E-05 1032 0.182E-02
81 F= -.14286461E+04 E0= -.14286622E+04 d E =-.690484E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864410930E+04 0.19819E-02 -0.13951E+00 896 0.196E+00 0.252E-01
DAV: 2 -0.142864639158E+04 -0.22823E-02 -0.28847E-02 992 0.251E-01 0.162E-01
DAV: 3 -0.142864624218E+04 0.14939E-03 -0.68556E-04 1072 0.518E-02 0.938E-02
DAV: 4 -0.142864624349E+04 -0.13079E-05 -0.34828E-04 1032 0.377E-02 0.264E-02
DAV: 5 -0.142864624303E+04 0.46667E-06 -0.67781E-05 992 0.174E-02
82 F= -.14286462E+04 E0= -.14286623E+04 d E =-.841389E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864578980E+04 0.45370E-03 -0.35374E-01 896 0.986E-01 0.125E-01
DAV: 2 -0.142864634454E+04 -0.55474E-03 -0.72186E-03 984 0.126E-01 0.813E-02
DAV: 3 -0.142864630152E+04 0.43018E-04 -0.18025E-04 1072 0.258E-02 0.465E-02
DAV: 4 -0.142864629868E+04 0.28368E-05 -0.86842E-05 1032 0.188E-02
83 F= -.14286463E+04 E0= -.14286623E+04 d E =-.897047E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864617594E+04 0.12558E-03 -0.87982E-02 896 0.492E-01 0.601E-02
DAV: 2 -0.142864631576E+04 -0.13981E-03 -0.18061E-03 984 0.626E-02 0.398E-02
DAV: 3 -0.142864630427E+04 0.11489E-04 -0.42078E-05 928 0.124E-02 0.226E-02
DAV: 4 -0.142864630319E+04 0.10800E-05 -0.20507E-05 632 0.931E-03
84 F= -.14286463E+04 E0= -.14286623E+04 d E =-.901552E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864650443E+04 -0.20016E-03 -0.11265E-01 896 0.556E-01 0.723E-02
DAV: 2 -0.142864668857E+04 -0.18414E-03 -0.23305E-03 976 0.712E-02 0.467E-02
DAV: 3 -0.142864667658E+04 0.11986E-04 -0.54847E-05 1000 0.149E-02 0.271E-02
DAV: 4 -0.142864667695E+04 -0.36633E-06 -0.29969E-05 784 0.108E-02
85 F= -.14286467E+04 E0= -.14286627E+04 d E =-.373761E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864580425E+04 0.87233E-03 -0.10126E+00 896 0.167E+00 0.214E-01
DAV: 2 -0.142864745535E+04 -0.16511E-02 -0.20906E-02 976 0.213E-01 0.139E-01
DAV: 3 -0.142864734326E+04 0.11209E-03 -0.49758E-04 1088 0.443E-02 0.806E-02
DAV: 4 -0.142864734309E+04 0.17372E-06 -0.26714E-04 1024 0.318E-02 0.211E-02
DAV: 5 -0.142864734289E+04 0.20306E-06 -0.46998E-05 912 0.147E-02
86 F= -.14286473E+04 E0= -.14286633E+04 d E =-.103970E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864708345E+04 0.25964E-03 -0.21293E-01 896 0.764E-01 0.988E-02
DAV: 2 -0.142864744036E+04 -0.35692E-03 -0.44274E-03 976 0.977E-02 0.637E-02
DAV: 3 -0.142864741877E+04 0.21588E-04 -0.10163E-04 1088 0.202E-02 0.369E-02
DAV: 4 -0.142864741972E+04 -0.94667E-06 -0.54529E-05 984 0.144E-02
87 F= -.14286474E+04 E0= -.14286634E+04 d E =-.111653E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864768447E+04 -0.26570E-03 -0.24569E-01 896 0.821E-01 0.107E-01
DAV: 2 -0.142864808925E+04 -0.40478E-03 -0.51096E-03 992 0.106E-01 0.694E-02
DAV: 3 -0.142864806208E+04 0.27169E-04 -0.12797E-04 1088 0.227E-02 0.406E-02
DAV: 4 -0.142864806173E+04 0.35157E-06 -0.67256E-05 1008 0.160E-02
88 F= -.14286481E+04 E0= -.14286641E+04 d E =-.642008E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864818748E+04 -0.12541E-03 -0.41002E-02 896 0.335E-01 0.452E-02
DAV: 2 -0.142864825662E+04 -0.69136E-04 -0.86465E-04 1008 0.437E-02 0.288E-02
DAV: 3 -0.142864825220E+04 0.44230E-05 -0.19493E-05 736 0.967E-03
89 F= -.14286483E+04 E0= -.14286643E+04 d E =-.832477E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864827710E+04 -0.20484E-04 -0.16156E-01 896 0.666E-01 0.880E-02
DAV: 2 -0.142864853095E+04 -0.25384E-03 -0.32719E-03 1000 0.848E-02 0.569E-02
DAV: 3 -0.142864851397E+04 0.16980E-04 -0.86797E-05 1080 0.182E-02 0.326E-02
DAV: 4 -0.142864851401E+04 -0.48189E-07 -0.42132E-05 888 0.128E-02
90 F= -.14286485E+04 E0= -.14286645E+04 d E =-.109429E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864851964E+04 -0.56789E-05 -0.39002E-02 896 0.327E-01 0.434E-02
DAV: 2 -0.142864858535E+04 -0.65708E-04 -0.81965E-04 1000 0.424E-02 0.278E-02
DAV: 3 -0.142864858112E+04 0.42372E-05 -0.18390E-05 712 0.929E-03
91 F= -.14286486E+04 E0= -.14286646E+04 d E =-.116140E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864837504E+04 0.21031E-03 -0.15382E-01 896 0.650E-01 0.856E-02
DAV: 2 -0.142864861687E+04 -0.24183E-03 -0.31137E-03 1000 0.826E-02 0.554E-02
DAV: 3 -0.142864860072E+04 0.16155E-04 -0.82059E-05 1080 0.177E-02 0.318E-02
DAV: 4 -0.142864860074E+04 -0.19223E-07 -0.39850E-05 864 0.125E-02
92 F= -.14286486E+04 E0= -.14286646E+04 d E =-.118101E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864854429E+04 0.56423E-04 -0.45626E-02 896 0.354E-01 0.444E-02
DAV: 2 -0.142864861550E+04 -0.71202E-04 -0.93032E-04 992 0.450E-02 0.296E-02
DAV: 3 -0.142864860938E+04 0.61184E-05 -0.21670E-05 752 0.933E-03
93 F= -.14286486E+04 E0= -.14286646E+04 d E =-.118966E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864870263E+04 -0.87134E-04 -0.47003E-01 896 0.114E+00 0.144E-01
DAV: 2 -0.142864948423E+04 -0.78160E-03 -0.98324E-03 1000 0.146E-01 0.933E-02
DAV: 3 -0.142864942600E+04 0.58222E-04 -0.22618E-04 1080 0.300E-02 0.539E-02
DAV: 4 -0.142864942202E+04 0.39869E-05 -0.11744E-04 1040 0.216E-02 0.143E-02
DAV: 5 -0.142864942238E+04 -0.36678E-06 -0.21249E-05 672 0.971E-03
94 F= -.14286494E+04 E0= -.14286654E+04 d E =-.813007E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864894307E+04 0.47895E-03 -0.55306E-01 896 0.123E+00 0.159E-01
DAV: 2 -0.142864986088E+04 -0.91781E-03 -0.11473E-02 1000 0.157E-01 0.102E-01
DAV: 3 -0.142864979809E+04 0.62789E-04 -0.26437E-04 1080 0.325E-02 0.587E-02
DAV: 4 -0.142864979697E+04 0.11210E-05 -0.13639E-04 1040 0.234E-02 0.155E-02
DAV: 5 -0.142864979717E+04 -0.20118E-06 -0.24265E-05 696 0.105E-02
95 F= -.14286498E+04 E0= -.14286658E+04 d E =-.118779E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864984837E+04 -0.51408E-04 -0.57879E-01 896 0.126E+00 0.162E-01
DAV: 2 -0.142865081130E+04 -0.96292E-03 -0.12017E-02 1008 0.161E-01 0.105E-01
DAV: 3 -0.142865074618E+04 0.65119E-04 -0.27225E-04 1088 0.347E-02 0.616E-02
DAV: 4 -0.142865074661E+04 -0.43338E-06 -0.15286E-04 1048 0.248E-02 0.177E-02
DAV: 5 -0.142865074619E+04 0.42432E-06 -0.27346E-05 728 0.117E-02
96 F= -.14286507E+04 E0= -.14286667E+04 d E =-.949019E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142865067869E+04 0.67918E-04 -0.26639E-01 896 0.857E-01 0.111E-01
DAV: 2 -0.142865112779E+04 -0.44910E-03 -0.55579E-03 1008 0.110E-01 0.716E-02
DAV: 3 -0.142865109876E+04 0.29030E-04 -0.12418E-04 1088 0.237E-02 0.420E-02
DAV: 4 -0.142865109944E+04 -0.68680E-06 -0.70770E-05 1048 0.169E-02
97 F= -.14286511E+04 E0= -.14286670E+04 d E =-.130228E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864947934E+04 0.16194E-02 -0.10653E+00 896 0.171E+00 0.222E-01
DAV: 2 -0.142865123495E+04 -0.17556E-02 -0.22095E-02 1008 0.219E-01 0.144E-01
DAV: 3 -0.142865111433E+04 0.12062E-03 -0.51129E-04 1080 0.476E-02 0.843E-02
DAV: 4 -0.142865111515E+04 -0.81428E-06 -0.29014E-04 1056 0.342E-02 0.244E-02
DAV: 5 -0.142865111458E+04 0.56830E-06 -0.54404E-05 944 0.161E-02
98 F= -.14286511E+04 E0= -.14286670E+04 d E =-.131741E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142865061304E+04 0.50211E-03 -0.41494E-01 896 0.107E+00 0.136E-01
DAV: 2 -0.142865126948E+04 -0.65644E-03 -0.85237E-03 1008 0.136E-01 0.894E-02
DAV: 3 -0.142865121629E+04 0.53188E-04 -0.20322E-04 1080 0.294E-02 0.519E-02
DAV: 4 -0.142865121341E+04 0.28758E-05 -0.11175E-04 1032 0.211E-02 0.147E-02
DAV: 5 -0.142865121341E+04 0.65993E-08 -0.20097E-05 664 0.982E-03
99 F= -.14286512E+04 E0= -.14286671E+04 d E =-.141624E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142865070291E+04 0.51050E-03 -0.85178E-01 896 0.153E+00 0.195E-01
DAV: 2 -0.142865212311E+04 -0.14202E-02 -0.17898E-02 1000 0.196E-01 0.127E-01
DAV: 3 -0.142865202328E+04 0.99824E-04 -0.42121E-04 1080 0.398E-02 0.731E-02
DAV: 4 -0.142865201831E+04 0.49711E-05 -0.20618E-04 1032 0.287E-02 0.187E-02
DAV: 5 -0.142865201916E+04 -0.84903E-06 -0.39350E-05 848 0.130E-02
100 F= -.14286520E+04 E0= -.14286679E+04 d E =-.805756E-03