Stage_1/0.005_+e3 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 0.393668329916E+04 0.39367E+04 -0.28993E+05 896 0.111E+03
DAV: 2 -0.105441368677E+04 -0.49911E+04 -0.48037E+04 1144 0.297E+02
DAV: 3 -0.152553808586E+04 -0.47112E+03 -0.46621E+03 1032 0.966E+01
DAV: 4 -0.153752014844E+04 -0.11982E+02 -0.11929E+02 1096 0.166E+01
DAV: 5 -0.153791130872E+04 -0.39116E+00 -0.39052E+00 1120 0.279E+00 0.624E+01
DAV: 6 -0.144820573672E+04 0.89706E+02 -0.17275E+02 1008 0.196E+01 0.340E+01
DAV: 7 -0.143046097294E+04 0.17745E+02 -0.47650E+01 1064 0.113E+01 0.159E+01
DAV: 8 -0.142862358058E+04 0.18374E+01 -0.10628E+01 1048 0.497E+00 0.580E+00
DAV: 9 -0.142857070542E+04 0.52875E-01 -0.13426E+00 1056 0.237E+00 0.200E+00
DAV: 10 -0.142856627643E+04 0.44290E-02 -0.35106E-01 984 0.114E+00 0.744E-01
DAV: 11 -0.142857256300E+04 -0.62866E-02 -0.88875E-02 1032 0.514E-01 0.408E-01
DAV: 12 -0.142857347804E+04 -0.91503E-03 -0.12738E-02 1000 0.249E-01 0.234E-01
DAV: 13 -0.142857253326E+04 0.94477E-03 -0.63176E-03 968 0.214E-01 0.112E-01
DAV: 14 -0.142857086320E+04 0.16701E-02 -0.33444E-03 1072 0.155E-01 0.687E-02
DAV: 15 -0.142857030285E+04 0.56035E-03 -0.14151E-03 1040 0.875E-02 0.420E-02
DAV: 16 -0.142857012306E+04 0.17979E-03 -0.24762E-04 1056 0.389E-02 0.255E-02
DAV: 17 -0.142857004609E+04 0.76976E-04 -0.38515E-05 1000 0.267E-02 0.126E-02
DAV: 18 -0.142857001401E+04 0.32075E-04 -0.24704E-05 928 0.239E-02 0.719E-03
DAV: 19 -0.142857000327E+04 0.10738E-04 -0.37790E-05 1024 0.186E-02 0.565E-03
DAV: 20 -0.142856999980E+04 0.34750E-05 -0.15437E-05 744 0.965E-03
1 F= -.14285700E+04 E0= -.14285866E+04 d E =-.142857E+04
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142840333513E+04 0.16667E+00 -0.20097E+01 912 0.747E+00 0.130E+00
DAV: 2 -0.142845415136E+04 -0.50816E-01 -0.72233E-01 1096 0.122E+00 0.795E-01
DAV: 3 -0.142844464263E+04 0.95087E-02 -0.23093E-02 1056 0.294E-01 0.471E-01
DAV: 4 -0.142844225918E+04 0.23834E-02 -0.12531E-02 1024 0.217E-01 0.170E-01
DAV: 5 -0.142844226714E+04 -0.79597E-05 -0.27565E-03 1072 0.102E-01 0.855E-02
DAV: 6 -0.142844224894E+04 0.18197E-04 -0.50593E-04 1032 0.413E-02 0.402E-02
DAV: 7 -0.142844222143E+04 0.27512E-04 -0.99831E-05 1008 0.191E-02 0.203E-02
DAV: 8 -0.142844221499E+04 0.64372E-05 -0.26377E-05 808 0.111E-02
2 F= -.14284422E+04 E0= -.14284585E+04 d E =0.127785E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142856007201E+04 -0.11785E+00 -0.11661E+01 912 0.566E+00 0.991E-01
DAV: 2 -0.142859020957E+04 -0.30138E-01 -0.43490E-01 1088 0.948E-01 0.613E-01
DAV: 3 -0.142858474247E+04 0.54671E-02 -0.13598E-02 1048 0.224E-01 0.379E-01
DAV: 4 -0.142858330447E+04 0.14380E-02 -0.77462E-03 1024 0.167E-01 0.143E-01
DAV: 5 -0.142858329585E+04 0.86225E-05 -0.16317E-03 1056 0.798E-02 0.688E-02
DAV: 6 -0.142858328467E+04 0.11177E-04 -0.33713E-04 1016 0.338E-02 0.312E-02
DAV: 7 -0.142858326739E+04 0.17284E-04 -0.64065E-05 1008 0.154E-02 0.164E-02
DAV: 8 -0.142858326229E+04 0.51008E-05 -0.14955E-05 648 0.818E-03
3 F= -.14285833E+04 E0= -.14285996E+04 d E =-.132625E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142858877437E+04 -0.55070E-02 -0.47177E+00 896 0.372E+00 0.590E-01
DAV: 2 -0.142859847359E+04 -0.96992E-02 -0.13259E-01 1032 0.552E-01 0.403E-01
DAV: 3 -0.142859684558E+04 0.16280E-02 -0.49427E-03 1040 0.150E-01 0.253E-01
DAV: 4 -0.142859657234E+04 0.27324E-03 -0.38620E-03 1008 0.111E-01 0.912E-02
DAV: 5 -0.142859657998E+04 -0.76414E-05 -0.52895E-04 1072 0.469E-02 0.458E-02
DAV: 6 -0.142859657759E+04 0.23879E-05 -0.12903E-04 1048 0.215E-02 0.243E-02
DAV: 7 -0.142859657297E+04 0.46197E-05 -0.25277E-05 768 0.104E-02
4 F= -.14285966E+04 E0= -.14286132E+04 d E =-.133107E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142859791943E+04 -0.13418E-02 -0.31300E-01 912 0.958E-01 0.152E-01
DAV: 2 -0.142859853506E+04 -0.61563E-03 -0.87570E-03 1032 0.142E-01 0.103E-01
DAV: 3 -0.142859842370E+04 0.11136E-03 -0.32501E-04 1040 0.386E-02 0.653E-02
DAV: 4 -0.142859840493E+04 0.18768E-04 -0.26037E-04 1016 0.289E-02 0.239E-02
DAV: 5 -0.142859840447E+04 0.46506E-06 -0.33979E-05 816 0.120E-02
5 F= -.14285984E+04 E0= -.14286150E+04 d E =-.151422E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142859118748E+04 0.72175E-02 -0.35217E+00 896 0.318E+00 0.496E-01
DAV: 2 -0.142859773903E+04 -0.65516E-02 -0.96591E-02 1064 0.455E-01 0.291E-01
DAV: 3 -0.142859670554E+04 0.10335E-02 -0.31675E-03 1048 0.112E-01 0.172E-01
DAV: 4 -0.142859656398E+04 0.14157E-03 -0.20170E-03 1032 0.798E-02 0.627E-02
DAV: 5 -0.142859656549E+04 -0.15165E-05 -0.29636E-04 1032 0.333E-02 0.294E-02
DAV: 6 -0.142859656441E+04 0.10857E-05 -0.58036E-05 1008 0.139E-02
6 F= -.14285966E+04 E0= -.14286133E+04 d E =0.184006E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142860267145E+04 -0.61060E-02 -0.99674E-01 896 0.169E+00 0.264E-01
DAV: 2 -0.142860450035E+04 -0.18289E-02 -0.27795E-02 1064 0.244E-01 0.155E-01
DAV: 3 -0.142860419844E+04 0.30191E-03 -0.89933E-04 1056 0.599E-02 0.927E-02
DAV: 4 -0.142860415750E+04 0.40938E-04 -0.59940E-04 1032 0.432E-02 0.345E-02
DAV: 5 -0.142860415857E+04 -0.10694E-05 -0.86758E-05 1000 0.180E-02
7 F= -.14286042E+04 E0= -.14286208E+04 d E =-.575411E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142860561160E+04 -0.14541E-02 -0.36973E-01 896 0.104E+00 0.142E-01
DAV: 2 -0.142860631845E+04 -0.70685E-03 -0.95843E-03 1056 0.150E-01 0.903E-02
DAV: 3 -0.142860624587E+04 0.72580E-04 -0.38764E-04 1056 0.354E-02 0.535E-02
DAV: 4 -0.142860622587E+04 0.19996E-04 -0.11198E-04 1024 0.212E-02 0.189E-02
DAV: 5 -0.142860622551E+04 0.36364E-06 -0.19722E-05 664 0.996E-03
8 F= -.14286062E+04 E0= -.14286229E+04 d E =-.206694E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142860623526E+04 -0.93880E-05 -0.19037E-03 912 0.746E-02 0.103E-02
DAV: 2 -0.142860623741E+04 -0.21452E-05 -0.46558E-05 848 0.110E-02
9 F= -.14286062E+04 E0= -.14286229E+04 d E =-.207883E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142860756801E+04 -0.13327E-02 -0.32351E-01 896 0.970E-01 0.126E-01
DAV: 2 -0.142860813495E+04 -0.56694E-03 -0.73015E-03 1064 0.129E-01 0.818E-02
DAV: 3 -0.142860808858E+04 0.46372E-04 -0.23723E-04 1064 0.300E-02 0.501E-02
DAV: 4 -0.142860807779E+04 0.10783E-04 -0.10358E-04 992 0.193E-02 0.166E-02
DAV: 5 -0.142860807812E+04 -0.32503E-06 -0.17326E-05 624 0.966E-03
10 F= -.14286081E+04 E0= -.14286248E+04 d E =-.184071E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142860812225E+04 -0.44452E-04 -0.19482E-02 912 0.238E-01 0.322E-02
DAV: 2 -0.142860815838E+04 -0.36133E-04 -0.44705E-04 1072 0.317E-02 0.203E-02
DAV: 3 -0.142860815582E+04 0.25577E-05 -0.11837E-05 576 0.741E-03
11 F= -.14286082E+04 E0= -.14286249E+04 d E =-.191842E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142860903404E+04 -0.87566E-03 -0.25901E-01 896 0.868E-01 0.115E-01
DAV: 2 -0.142860955495E+04 -0.52091E-03 -0.63639E-03 1056 0.119E-01 0.713E-02
DAV: 3 -0.142860952268E+04 0.32265E-04 -0.18986E-04 1048 0.264E-02 0.439E-02
DAV: 4 -0.142860951792E+04 0.47667E-05 -0.73100E-05 1016 0.185E-02
12 F= -.14286095E+04 E0= -.14286264E+04 d E =-.136210E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142860956013E+04 -0.37446E-04 -0.20384E-02 912 0.243E-01 0.364E-02
DAV: 2 -0.142860959988E+04 -0.39755E-04 -0.50219E-04 1064 0.339E-02 0.215E-02
DAV: 3 -0.142860959727E+04 0.26137E-05 -0.14406E-05 616 0.814E-03
13 F= -.14286096E+04 E0= -.14286264E+04 d E =-.144145E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861033602E+04 -0.73614E-03 -0.12937E-01 896 0.609E-01 0.822E-02
DAV: 2 -0.142861056768E+04 -0.23166E-03 -0.29917E-03 1024 0.830E-02 0.516E-02
DAV: 3 -0.142861055071E+04 0.16969E-04 -0.89416E-05 1080 0.189E-02 0.312E-02
DAV: 4 -0.142861054897E+04 0.17424E-05 -0.43423E-05 960 0.134E-02
14 F= -.14286105E+04 E0= -.14286274E+04 d E =-.951697E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861066159E+04 -0.11088E-03 -0.67745E-02 896 0.441E-01 0.609E-02
DAV: 2 -0.142861078515E+04 -0.12355E-03 -0.15908E-03 1032 0.609E-02 0.378E-02
DAV: 3 -0.142861077627E+04 0.88805E-05 -0.46579E-05 960 0.143E-02
15 F= -.14286108E+04 E0= -.14286276E+04 d E =-.117900E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861143657E+04 -0.65142E-03 -0.15389E-01 896 0.660E-01 0.896E-02
DAV: 2 -0.142861169009E+04 -0.25352E-03 -0.33272E-03 1032 0.866E-02 0.549E-02
DAV: 3 -0.142861167550E+04 0.14587E-04 -0.10381E-04 1064 0.188E-02 0.322E-02
DAV: 4 -0.142861167438E+04 0.11218E-05 -0.39775E-05 912 0.137E-02
16 F= -.14286117E+04 E0= -.14286285E+04 d E =-.898112E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861177420E+04 -0.98700E-04 -0.78831E-02 896 0.472E-01 0.643E-02
DAV: 2 -0.142861190876E+04 -0.13456E-03 -0.17476E-03 1040 0.631E-02 0.383E-02
DAV: 3 -0.142861190131E+04 0.74585E-05 -0.51650E-05 992 0.140E-02
17 F= -.14286119E+04 E0= -.14286287E+04 d E =-.112504E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861247828E+04 -0.56952E-03 -0.12305E-01 896 0.588E-01 0.817E-02
DAV: 2 -0.142861268525E+04 -0.20697E-03 -0.26949E-03 1032 0.775E-02 0.500E-02
DAV: 3 -0.142861267246E+04 0.12793E-04 -0.80757E-05 1064 0.171E-02 0.289E-02
DAV: 4 -0.142861267095E+04 0.15094E-05 -0.33844E-05 808 0.127E-02
18 F= -.14286127E+04 E0= -.14286295E+04 d E =-.769643E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861277608E+04 -0.10362E-03 -0.12493E-01 896 0.592E-01 0.802E-02
DAV: 2 -0.142861299837E+04 -0.22229E-03 -0.28202E-03 1032 0.794E-02 0.482E-02
DAV: 3 -0.142861298503E+04 0.13340E-04 -0.77504E-05 1056 0.175E-02 0.291E-02
DAV: 4 -0.142861298307E+04 0.19604E-05 -0.35435E-05 872 0.133E-02
19 F= -.14286130E+04 E0= -.14286299E+04 d E =-.108176E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861354326E+04 -0.55824E-03 -0.15502E-01 896 0.658E-01 0.887E-02
DAV: 2 -0.142861380836E+04 -0.26510E-03 -0.33785E-03 1008 0.869E-02 0.550E-02
DAV: 3 -0.142861379148E+04 0.16880E-04 -0.98713E-05 1072 0.192E-02 0.327E-02
DAV: 4 -0.142861378945E+04 0.20285E-05 -0.43205E-05 944 0.136E-02
20 F= -.14286138E+04 E0= -.14286307E+04 d E =-.806388E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861395672E+04 -0.16523E-03 -0.50511E-02 896 0.376E-01 0.519E-02
DAV: 2 -0.142861404408E+04 -0.87366E-04 -0.11072E-03 1024 0.498E-02 0.316E-02
DAV: 3 -0.142861403860E+04 0.54878E-05 -0.29685E-05 800 0.110E-02
21 F= -.14286140E+04 E0= -.14286309E+04 d E =-.105553E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861376974E+04 0.27434E-03 -0.20037E-01 896 0.749E-01 0.102E-01
DAV: 2 -0.142861409996E+04 -0.33022E-03 -0.42551E-03 1016 0.975E-02 0.638E-02
DAV: 3 -0.142861407830E+04 0.21663E-04 -0.12958E-04 1072 0.216E-02 0.372E-02
DAV: 4 -0.142861407575E+04 0.25530E-05 -0.53755E-05 1000 0.152E-02
22 F= -.14286141E+04 E0= -.14286309E+04 d E =-.109268E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861405835E+04 0.19952E-04 -0.48841E-02 896 0.370E-01 0.465E-02
DAV: 2 -0.142861414030E+04 -0.81955E-04 -0.10556E-03 1000 0.485E-02 0.305E-02
DAV: 3 -0.142861413387E+04 0.64347E-05 -0.28835E-05 808 0.105E-02
23 F= -.14286141E+04 E0= -.14286310E+04 d E =-.115080E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861458049E+04 -0.44019E-03 -0.11976E-01 896 0.579E-01 0.726E-02
DAV: 2 -0.142861479222E+04 -0.21173E-03 -0.26238E-03 1000 0.765E-02 0.472E-02
DAV: 3 -0.142861477726E+04 0.14961E-04 -0.63821E-05 1056 0.164E-02 0.288E-02
DAV: 4 -0.142861477470E+04 0.25652E-05 -0.33901E-05 840 0.122E-02
24 F= -.14286148E+04 E0= -.14286317E+04 d E =-.640827E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861477172E+04 0.55371E-05 -0.31347E-01 896 0.936E-01 0.124E-01
DAV: 2 -0.142861529813E+04 -0.52641E-03 -0.67008E-03 1016 0.122E-01 0.789E-02
DAV: 3 -0.142861526291E+04 0.35226E-04 -0.17173E-04 1064 0.268E-02 0.474E-02
DAV: 4 -0.142861526041E+04 0.24956E-05 -0.90583E-05 1008 0.198E-02
25 F= -.14286153E+04 E0= -.14286321E+04 d E =-.112654E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861581125E+04 -0.54834E-03 -0.10742E-01 896 0.548E-01 0.751E-02
DAV: 2 -0.142861598588E+04 -0.17463E-03 -0.23016E-03 1040 0.723E-02 0.474E-02
DAV: 3 -0.142861597360E+04 0.12278E-04 -0.65788E-05 1072 0.160E-02 0.280E-02
DAV: 4 -0.142861597318E+04 0.42283E-06 -0.32782E-05 800 0.119E-02
26 F= -.14286160E+04 E0= -.14286329E+04 d E =-.712767E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861602199E+04 -0.48386E-04 -0.24191E-01 896 0.822E-01 0.110E-01
DAV: 2 -0.142861641750E+04 -0.39552E-03 -0.51479E-03 1024 0.108E-01 0.701E-02
DAV: 3 -0.142861638865E+04 0.28858E-04 -0.14416E-04 1072 0.235E-02 0.415E-02
DAV: 4 -0.142861638656E+04 0.20831E-05 -0.74363E-05 1000 0.177E-02
27 F= -.14286164E+04 E0= -.14286333E+04 d E =-.112615E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861679500E+04 -0.40635E-03 -0.10184E-01 896 0.534E-01 0.715E-02
DAV: 2 -0.142861696282E+04 -0.16782E-03 -0.21372E-03 1008 0.692E-02 0.458E-02
DAV: 3 -0.142861695256E+04 0.10253E-04 -0.58496E-05 1056 0.153E-02 0.272E-02
DAV: 4 -0.142861695272E+04 -0.16169E-06 -0.28529E-05 768 0.113E-02
28 F= -.14286170E+04 E0= -.14286339E+04 d E =-.566161E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861671595E+04 0.23661E-03 -0.44258E-01 896 0.111E+00 0.145E-01
DAV: 2 -0.142861743772E+04 -0.72177E-03 -0.91862E-03 1000 0.143E-01 0.943E-02
DAV: 3 -0.142861739018E+04 0.47537E-04 -0.25215E-04 1088 0.309E-02 0.555E-02
DAV: 4 -0.142861738804E+04 0.21423E-05 -0.11794E-04 1032 0.225E-02 0.176E-02
DAV: 5 -0.142861738707E+04 0.96690E-06 -0.21404E-05 680 0.103E-02
29 F= -.14286174E+04 E0= -.14286343E+04 d E =-.100051E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861777322E+04 -0.38518E-03 -0.15874E-01 896 0.664E-01 0.867E-02
DAV: 2 -0.142861804109E+04 -0.26786E-03 -0.33210E-03 1000 0.852E-02 0.552E-02
DAV: 3 -0.142861802555E+04 0.15533E-04 -0.82176E-05 1064 0.183E-02 0.328E-02
DAV: 4 -0.142861802570E+04 -0.14690E-06 -0.38874E-05 904 0.135E-02
30 F= -.14286180E+04 E0= -.14286349E+04 d E =-.638626E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861794524E+04 0.80315E-04 -0.31222E-01 896 0.932E-01 0.123E-01
DAV: 2 -0.142861845575E+04 -0.51052E-03 -0.64627E-03 1000 0.119E-01 0.780E-02
DAV: 3 -0.142861842490E+04 0.30853E-04 -0.16821E-04 1072 0.260E-02 0.461E-02
DAV: 4 -0.142861842452E+04 0.37989E-06 -0.75678E-05 1032 0.190E-02
31 F= -.14286184E+04 E0= -.14286353E+04 d E =-.103745E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861890285E+04 -0.47795E-03 -0.84159E-02 896 0.486E-01 0.661E-02
DAV: 2 -0.142861904442E+04 -0.14157E-03 -0.18109E-03 1024 0.639E-02 0.417E-02
DAV: 3 -0.142861903421E+04 0.10209E-04 -0.54672E-05 1032 0.141E-02 0.242E-02
DAV: 4 -0.142861903335E+04 0.86383E-06 -0.21428E-05 632 0.103E-02
32 F= -.14286190E+04 E0= -.14286359E+04 d E =-.608829E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861911083E+04 -0.76621E-04 -0.12658E-01 896 0.596E-01 0.790E-02
DAV: 2 -0.142861932324E+04 -0.21241E-03 -0.27077E-03 1032 0.779E-02 0.503E-02
DAV: 3 -0.142861930697E+04 0.16273E-04 -0.78089E-05 1080 0.168E-02 0.293E-02
DAV: 4 -0.142861930520E+04 0.17704E-05 -0.33075E-05 800 0.123E-02
33 F= -.14286193E+04 E0= -.14286361E+04 d E =-.880680E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861964202E+04 -0.33505E-03 -0.99611E-02 896 0.528E-01 0.705E-02
DAV: 2 -0.142861981196E+04 -0.16994E-03 -0.21492E-03 1032 0.694E-02 0.457E-02
DAV: 3 -0.142861979831E+04 0.13650E-04 -0.59616E-05 1032 0.162E-02 0.277E-02
DAV: 4 -0.142861979739E+04 0.91904E-06 -0.31849E-05 816 0.122E-02
34 F= -.14286198E+04 E0= -.14286366E+04 d E =-.492190E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861982641E+04 -0.28101E-04 -0.71408E-02 896 0.447E-01 0.609E-02
DAV: 2 -0.142861994739E+04 -0.12098E-03 -0.15396E-03 1032 0.591E-02 0.391E-02
DAV: 3 -0.142861993796E+04 0.94290E-05 -0.43996E-05 976 0.139E-02
35 F= -.14286199E+04 E0= -.14286367E+04 d E =-.632761E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862029134E+04 -0.34395E-03 -0.77233E-02 896 0.464E-01 0.645E-02
DAV: 2 -0.142862041377E+04 -0.12243E-03 -0.15958E-03 1024 0.597E-02 0.421E-02
DAV: 3 -0.142862040400E+04 0.97791E-05 -0.47255E-05 960 0.138E-02
36 F= -.14286204E+04 E0= -.14286372E+04 d E =-.466034E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862044537E+04 -0.31591E-04 -0.91639E-02 896 0.505E-01 0.699E-02
DAV: 2 -0.142862058954E+04 -0.14418E-03 -0.18735E-03 1024 0.647E-02 0.456E-02
DAV: 3 -0.142862057813E+04 0.11415E-04 -0.54383E-05 984 0.149E-02 0.265E-02
DAV: 4 -0.142862057793E+04 0.19213E-06 -0.25060E-05 680 0.111E-02
37 F= -.14286206E+04 E0= -.14286373E+04 d E =-.639973E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862087626E+04 -0.29813E-03 -0.70637E-02 896 0.442E-01 0.581E-02
DAV: 2 -0.142862099217E+04 -0.11592E-03 -0.14640E-03 1016 0.568E-02 0.369E-02
DAV: 3 -0.142862098523E+04 0.69473E-05 -0.40178E-05 912 0.120E-02
38 F= -.14286210E+04 E0= -.14286377E+04 d E =-.407292E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862093927E+04 0.52907E-04 -0.20697E-01 896 0.757E-01 0.100E-01
DAV: 2 -0.142862126444E+04 -0.32517E-03 -0.41637E-03 1016 0.956E-02 0.642E-02
DAV: 3 -0.142862124425E+04 0.20189E-04 -0.12282E-04 1088 0.202E-02 0.365E-02
DAV: 4 -0.142862124423E+04 0.11598E-07 -0.46918E-05 952 0.140E-02
39 F= -.14286212E+04 E0= -.14286379E+04 d E =-.666301E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862152535E+04 -0.28110E-03 -0.12013E-01 896 0.578E-01 0.757E-02
DAV: 2 -0.142862172972E+04 -0.20437E-03 -0.25403E-03 1016 0.742E-02 0.488E-02
DAV: 3 -0.142862171734E+04 0.12378E-04 -0.64994E-05 1048 0.161E-02 0.290E-02
DAV: 4 -0.142862171713E+04 0.21681E-06 -0.29278E-05 824 0.118E-02
40 F= -.14286217E+04 E0= -.14286384E+04 d E =-.472892E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862179138E+04 -0.74034E-04 -0.25650E-02 896 0.267E-01 0.364E-02
DAV: 2 -0.142862183496E+04 -0.43587E-04 -0.54561E-04 1016 0.348E-02 0.229E-02
DAV: 3 -0.142862183251E+04 0.24534E-05 -0.13159E-05 592 0.779E-03
41 F= -.14286218E+04 E0= -.14286385E+04 d E =-.588277E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862171250E+04 0.12246E-03 -0.10181E-01 896 0.532E-01 0.704E-02
DAV: 2 -0.142862187868E+04 -0.16618E-03 -0.20940E-03 1016 0.673E-02 0.458E-02
DAV: 3 -0.142862186818E+04 0.10499E-04 -0.54670E-05 992 0.144E-02 0.264E-02
DAV: 4 -0.142862186802E+04 0.16166E-06 -0.23605E-05 704 0.107E-02
42 F= -.14286219E+04 E0= -.14286385E+04 d E =-.623786E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862186030E+04 0.78816E-05 -0.16888E-02 896 0.217E-01 0.266E-02
DAV: 2 -0.142862188788E+04 -0.27584E-04 -0.35290E-04 1016 0.276E-02 0.182E-02
DAV: 3 -0.142862188538E+04 0.25094E-05 -0.78134E-06 512 0.587E-03
43 F= -.14286219E+04 E0= -.14286385E+04 d E =-.641141E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862214614E+04 -0.25825E-03 -0.17916E-01 896 0.706E-01 0.895E-02
DAV: 2 -0.142862246386E+04 -0.31772E-03 -0.38995E-03 992 0.915E-02 0.578E-02
DAV: 3 -0.142862244257E+04 0.21290E-04 -0.97154E-05 1072 0.193E-02 0.347E-02
DAV: 4 -0.142862243969E+04 0.28832E-05 -0.43401E-05 944 0.144E-02
44 F= -.14286224E+04 E0= -.14286391E+04 d E =-.554312E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862245039E+04 -0.78147E-05 -0.82686E-02 896 0.480E-01 0.643E-02
DAV: 2 -0.142862259466E+04 -0.14427E-03 -0.17859E-03 1000 0.621E-02 0.403E-02
DAV: 3 -0.142862258608E+04 0.85822E-05 -0.46746E-05 984 0.135E-02
45 F= -.14286226E+04 E0= -.14286392E+04 d E =-.700700E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862284975E+04 -0.25509E-03 -0.15909E-01 896 0.667E-01 0.885E-02
DAV: 2 -0.142862311112E+04 -0.26137E-03 -0.33545E-03 1008 0.856E-02 0.576E-02
DAV: 3 -0.142862309235E+04 0.18767E-04 -0.10080E-04 1080 0.195E-02 0.332E-02
DAV: 4 -0.142862309068E+04 0.16697E-05 -0.38500E-05 904 0.141E-02
46 F= -.14286231E+04 E0= -.14286396E+04 d E =-.504608E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862310867E+04 -0.16317E-04 -0.21648E-02 896 0.246E-01 0.338E-02
DAV: 2 -0.142862314598E+04 -0.37305E-04 -0.47359E-04 1016 0.323E-02 0.213E-02
DAV: 3 -0.142862314326E+04 0.27179E-05 -0.11783E-05 616 0.750E-03
47 F= -.14286231E+04 E0= -.14286396E+04 d E =-.557182E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862335662E+04 -0.21065E-03 -0.16397E-01 896 0.675E-01 0.877E-02
DAV: 2 -0.142862363106E+04 -0.27443E-03 -0.34616E-03 1016 0.866E-02 0.558E-02
DAV: 3 -0.142862361344E+04 0.17620E-04 -0.95230E-05 1064 0.183E-02 0.323E-02
DAV: 4 -0.142862361332E+04 0.11582E-06 -0.40783E-05 928 0.131E-02
48 F= -.14286236E+04 E0= -.14286400E+04 d E =-.470062E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862364100E+04 -0.27569E-04 -0.56473E-02 896 0.396E-01 0.524E-02
DAV: 2 -0.142862373940E+04 -0.98393E-04 -0.12200E-03 1016 0.515E-02 0.327E-02
DAV: 3 -0.142862373340E+04 0.60019E-05 -0.29716E-05 816 0.110E-02
49 F= -.14286237E+04 E0= -.14286402E+04 d E =-.590138E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862394873E+04 -0.20933E-03 -0.18354E-01 896 0.713E-01 0.944E-02
DAV: 2 -0.142862425091E+04 -0.30218E-03 -0.38886E-03 1000 0.920E-02 0.613E-02
DAV: 3 -0.142862422886E+04 0.22052E-04 -0.10819E-04 1072 0.201E-02 0.358E-02
DAV: 4 -0.142862422877E+04 0.91663E-07 -0.52404E-05 952 0.147E-02
50 F= -.14286242E+04 E0= -.14286407E+04 d E =-.495370E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862424934E+04 -0.20480E-04 -0.14346E-02 896 0.199E-01 0.282E-02
DAV: 2 -0.142862427492E+04 -0.25583E-04 -0.32128E-04 1016 0.267E-02 0.175E-02
DAV: 3 -0.142862427340E+04 0.15216E-05 -0.74276E-06 544 0.603E-03
51 F= -.14286243E+04 E0= -.14286407E+04 d E =-.540003E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862442141E+04 -0.14649E-03 -0.15904E-01 896 0.663E-01 0.854E-02
DAV: 2 -0.142862469484E+04 -0.27343E-03 -0.34208E-03 1008 0.854E-02 0.560E-02
DAV: 3 -0.142862467527E+04 0.19566E-04 -0.88151E-05 1072 0.178E-02 0.323E-02
DAV: 4 -0.142862467459E+04 0.68161E-06 -0.38199E-05 904 0.125E-02
52 F= -.14286247E+04 E0= -.14286411E+04 d E =-.401194E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862469153E+04 -0.16258E-04 -0.16478E-02 896 0.213E-01 0.288E-02
DAV: 2 -0.142862472145E+04 -0.29918E-04 -0.36331E-04 1016 0.279E-02 0.181E-02
DAV: 3 -0.142862471959E+04 0.18615E-05 -0.77083E-06 560 0.596E-03
53 F= -.14286247E+04 E0= -.14286411E+04 d E =-.446190E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862458743E+04 0.13402E-03 -0.64870E-02 896 0.423E-01 0.550E-02
DAV: 2 -0.142862469770E+04 -0.11026E-03 -0.13791E-03 1016 0.542E-02 0.359E-02
DAV: 3 -0.142862468991E+04 0.77927E-05 -0.34265E-05 904 0.113E-02
54 F= -.14286247E+04 E0= -.14286411E+04 d E =-.416507E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862467441E+04 0.23285E-04 -0.30682E-02 896 0.291E-01 0.342E-02
DAV: 2 -0.142862473253E+04 -0.58112E-04 -0.71226E-04 984 0.389E-02 0.233E-02
DAV: 3 -0.142862472770E+04 0.48242E-05 -0.14364E-05 664 0.777E-03
55 F= -.14286247E+04 E0= -.14286411E+04 d E =-.454303E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862484071E+04 -0.10818E-03 -0.12104E-01 896 0.575E-01 0.695E-02
DAV: 2 -0.142862505541E+04 -0.21470E-03 -0.26044E-03 984 0.738E-02 0.463E-02
DAV: 3 -0.142862504113E+04 0.14278E-04 -0.55844E-05 1008 0.141E-02 0.271E-02
DAV: 4 -0.142862504011E+04 0.10142E-05 -0.27589E-05 800 0.108E-02
56 F= -.14286250E+04 E0= -.14286414E+04 d E =-.312412E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862500009E+04 0.41043E-04 -0.13526E-01 896 0.607E-01 0.764E-02
DAV: 2 -0.142862523394E+04 -0.23385E-03 -0.28497E-03 984 0.772E-02 0.498E-02
DAV: 3 -0.142862521990E+04 0.14043E-04 -0.64287E-05 1048 0.153E-02 0.288E-02
DAV: 4 -0.142862522024E+04 -0.34449E-06 -0.29896E-05 832 0.112E-02
57 F= -.14286252E+04 E0= -.14286415E+04 d E =-.492538E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862548353E+04 -0.26364E-03 -0.56806E-02 896 0.398E-01 0.510E-02
DAV: 2 -0.142862558452E+04 -0.10098E-03 -0.12667E-03 1008 0.531E-02 0.342E-02
DAV: 3 -0.142862557627E+04 0.82494E-05 -0.35091E-05 888 0.117E-02
58 F= -.14286256E+04 E0= -.14286419E+04 d E =-.356027E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862559146E+04 -0.69473E-05 -0.44628E-02 896 0.353E-01 0.480E-02
DAV: 2 -0.142862566247E+04 -0.71006E-04 -0.93593E-04 1024 0.459E-02 0.318E-02
DAV: 3 -0.142862565630E+04 0.61677E-05 -0.28403E-05 800 0.105E-02
59 F= -.14286257E+04 E0= -.14286420E+04 d E =-.436062E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862579542E+04 -0.13295E-03 -0.44760E-02 896 0.351E-01 0.461E-02
DAV: 2 -0.142862586904E+04 -0.73618E-04 -0.93028E-04 1016 0.448E-02 0.297E-02
DAV: 3 -0.142862586401E+04 0.50314E-05 -0.23961E-05 792 0.950E-03
60 F= -.14286259E+04 E0= -.14286422E+04 d E =-.207709E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862582788E+04 0.41164E-04 -0.89936E-02 896 0.497E-01 0.643E-02
DAV: 2 -0.142862597715E+04 -0.14927E-03 -0.18760E-03 1016 0.635E-02 0.417E-02
DAV: 3 -0.142862596687E+04 0.10280E-04 -0.49833E-05 1000 0.133E-02 0.236E-02
DAV: 4 -0.142862596707E+04 -0.20126E-06 -0.19616E-05 632 0.940E-03
61 F= -.14286260E+04 E0= -.14286424E+04 d E =-.310768E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862619228E+04 -0.22541E-03 -0.53388E-02 896 0.383E-01 0.484E-02
DAV: 2 -0.142862628417E+04 -0.91897E-04 -0.11506E-03 1016 0.501E-02 0.317E-02
DAV: 3 -0.142862627725E+04 0.69267E-05 -0.28460E-05 816 0.106E-02
62 F= -.14286263E+04 E0= -.14286426E+04 d E =-.310176E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862627204E+04 0.12137E-04 -0.76717E-02 896 0.459E-01 0.597E-02
DAV: 2 -0.142862639578E+04 -0.12375E-03 -0.15859E-03 1032 0.588E-02 0.392E-02
DAV: 3 -0.142862638611E+04 0.96751E-05 -0.43227E-05 960 0.126E-02
63 F= -.14286264E+04 E0= -.14286427E+04 d E =-.419037E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862657936E+04 -0.18358E-03 -0.58379E-02 896 0.399E-01 0.525E-02
DAV: 2 -0.142862667463E+04 -0.95264E-04 -0.11982E-03 1000 0.506E-02 0.344E-02
DAV: 3 -0.142862666763E+04 0.69948E-05 -0.31320E-05 872 0.111E-02
64 F= -.14286267E+04 E0= -.14286429E+04 d E =-.281525E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862658331E+04 0.91316E-04 -0.15879E-01 896 0.657E-01 0.847E-02
DAV: 2 -0.142862684881E+04 -0.26550E-03 -0.33083E-03 1000 0.838E-02 0.559E-02
DAV: 3 -0.142862682948E+04 0.19331E-04 -0.85751E-05 1080 0.179E-02 0.319E-02
DAV: 4 -0.142862682962E+04 -0.13830E-06 -0.38856E-05 920 0.127E-02
65 F= -.14286268E+04 E0= -.14286431E+04 d E =-.443513E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862702012E+04 -0.19064E-03 -0.85741E-02 896 0.485E-01 0.622E-02
DAV: 2 -0.142862717337E+04 -0.15325E-03 -0.18852E-03 1016 0.638E-02 0.404E-02
DAV: 3 -0.142862716337E+04 0.99914E-05 -0.45843E-05 936 0.129E-02
66 F= -.14286272E+04 E0= -.14286434E+04 d E =-.333754E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862707178E+04 0.10159E-03 -0.13434E-01 896 0.607E-01 0.798E-02
DAV: 2 -0.142862729564E+04 -0.22386E-03 -0.28417E-03 1016 0.784E-02 0.519E-02
DAV: 3 -0.142862728027E+04 0.15365E-04 -0.77678E-05 1072 0.164E-02 0.294E-02
DAV: 4 -0.142862728012E+04 0.15480E-06 -0.28849E-05 792 0.118E-02
67 F= -.14286273E+04 E0= -.14286436E+04 d E =-.450497E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862745259E+04 -0.17232E-03 -0.90851E-02 896 0.499E-01 0.638E-02
DAV: 2 -0.142862761263E+04 -0.16004E-03 -0.19708E-03 976 0.653E-02 0.415E-02
DAV: 3 -0.142862760267E+04 0.99663E-05 -0.46476E-05 968 0.135E-02
68 F= -.14286276E+04 E0= -.14286439E+04 d E =-.322549E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862717817E+04 0.43447E-03 -0.39492E-01 896 0.104E+00 0.134E-01
DAV: 2 -0.142862784251E+04 -0.66434E-03 -0.83485E-03 984 0.134E-01 0.877E-02
DAV: 3 -0.142862779852E+04 0.43992E-04 -0.20639E-04 1080 0.275E-02 0.507E-02
DAV: 4 -0.142862780029E+04 -0.17718E-05 -0.97460E-05 1024 0.196E-02
69 F= -.14286278E+04 E0= -.14286442E+04 d E =-.520171E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862773134E+04 0.67179E-04 -0.48617E-02 896 0.366E-01 0.437E-02
DAV: 2 -0.142862781291E+04 -0.81569E-04 -0.10463E-03 960 0.474E-02 0.301E-02
DAV: 3 -0.142862780555E+04 0.73538E-05 -0.23045E-05 784 0.929E-03
70 F= -.14286278E+04 E0= -.14286442E+04 d E =-.525435E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862806815E+04 -0.25525E-03 -0.77220E-02 896 0.461E-01 0.568E-02
DAV: 2 -0.142862821035E+04 -0.14220E-03 -0.17704E-03 1016 0.620E-02 0.379E-02
DAV: 3 -0.142862819853E+04 0.11828E-04 -0.41783E-05 936 0.126E-02 0.223E-02
DAV: 4 -0.142862819625E+04 0.22804E-05 -0.19893E-05 616 0.951E-03
71 F= -.14286282E+04 E0= -.14286445E+04 d E =-.390693E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862823358E+04 -0.35049E-04 -0.52058E-02 896 0.378E-01 0.491E-02
DAV: 2 -0.142862832559E+04 -0.92012E-04 -0.11534E-03 1040 0.502E-02 0.317E-02
DAV: 3 -0.142862831842E+04 0.71631E-05 -0.27390E-05 816 0.107E-02
72 F= -.14286283E+04 E0= -.14286446E+04 d E =-.512872E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862850788E+04 -0.18229E-03 -0.66944E-02 896 0.429E-01 0.562E-02
DAV: 2 -0.142862861873E+04 -0.11085E-03 -0.14178E-03 1024 0.558E-02 0.366E-02
DAV: 3 -0.142862860963E+04 0.91025E-05 -0.40469E-05 928 0.123E-02
73 F= -.14286286E+04 E0= -.14286449E+04 d E =-.291201E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862862229E+04 -0.35626E-05 -0.41016E-02 896 0.336E-01 0.458E-02
DAV: 2 -0.142862868694E+04 -0.64651E-04 -0.84229E-04 1024 0.431E-02 0.296E-02
DAV: 3 -0.142862868152E+04 0.54171E-05 -0.24991E-05 792 0.977E-03
74 F= -.14286287E+04 E0= -.14286449E+04 d E =-.363100E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862885053E+04 -0.16359E-03 -0.65243E-02 896 0.422E-01 0.548E-02
DAV: 2 -0.142862895560E+04 -0.10506E-03 -0.13333E-03 1024 0.540E-02 0.360E-02
DAV: 3 -0.142862894772E+04 0.78795E-05 -0.33586E-05 856 0.119E-02
75 F= -.14286289E+04 E0= -.14286452E+04 d E =-.266194E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862882796E+04 0.12764E-03 -0.18073E-01 896 0.702E-01 0.907E-02
DAV: 2 -0.142862911938E+04 -0.29143E-03 -0.37020E-03 1024 0.896E-02 0.597E-02
DAV: 3 -0.142862909754E+04 0.21848E-04 -0.95335E-05 1072 0.192E-02 0.343E-02
DAV: 4 -0.142862909778E+04 -0.24840E-06 -0.46190E-05 944 0.143E-02
76 F= -.14286291E+04 E0= -.14286454E+04 d E =-.416261E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862923862E+04 -0.14108E-03 -0.33268E-02 896 0.301E-01 0.397E-02
DAV: 2 -0.142862929571E+04 -0.57094E-04 -0.70584E-04 976 0.392E-02 0.253E-02
DAV: 3 -0.142862929228E+04 0.34329E-05 -0.14740E-05 672 0.826E-03
77 F= -.14286293E+04 E0= -.14286456E+04 d E =-.194493E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862923685E+04 0.58861E-04 -0.29583E-01 896 0.898E-01 0.114E-01
DAV: 2 -0.142862972383E+04 -0.48698E-03 -0.61015E-03 976 0.115E-01 0.744E-02
DAV: 3 -0.142862969187E+04 0.31960E-04 -0.14232E-04 1072 0.231E-02 0.429E-02
DAV: 4 -0.142862969322E+04 -0.13474E-05 -0.73878E-05 1032 0.171E-02
78 F= -.14286297E+04 E0= -.14286460E+04 d E =-.595437E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862971196E+04 -0.20081E-04 -0.30706E-02 896 0.289E-01 0.383E-02
DAV: 2 -0.142862976592E+04 -0.53968E-04 -0.65551E-04 992 0.377E-02 0.242E-02
DAV: 3 -0.142862976276E+04 0.31595E-05 -0.12830E-05 640 0.797E-03
79 F= -.14286298E+04 E0= -.14286461E+04 d E =-.664979E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862963999E+04 0.12594E-03 -0.12025E-01 896 0.573E-01 0.733E-02
DAV: 2 -0.142862983585E+04 -0.19586E-03 -0.24624E-03 976 0.729E-02 0.476E-02
DAV: 3 -0.142862982331E+04 0.12538E-04 -0.57977E-05 1024 0.147E-02 0.274E-02
DAV: 4 -0.142862982409E+04 -0.77959E-06 -0.29890E-05 792 0.110E-02
80 F= -.14286298E+04 E0= -.14286461E+04 d E =-.726308E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863005971E+04 -0.23639E-03 -0.13326E-01 896 0.604E-01 0.765E-02
DAV: 2 -0.142863028986E+04 -0.23016E-03 -0.28621E-03 1000 0.788E-02 0.507E-02
DAV: 3 -0.142863027358E+04 0.16281E-04 -0.69763E-05 1056 0.162E-02 0.295E-02
DAV: 4 -0.142863027285E+04 0.73532E-06 -0.30986E-05 824 0.115E-02
81 F= -.14286303E+04 E0= -.14286465E+04 d E =-.448754E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863035047E+04 -0.76885E-04 -0.24712E-02 896 0.260E-01 0.339E-02
DAV: 2 -0.142863039326E+04 -0.42792E-04 -0.53075E-04 1008 0.340E-02 0.219E-02
DAV: 3 -0.142863039029E+04 0.29655E-05 -0.11210E-05 608 0.716E-03
82 F= -.14286304E+04 E0= -.14286466E+04 d E =-.566201E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863034207E+04 0.51185E-04 -0.97493E-02 896 0.517E-01 0.661E-02
DAV: 2 -0.142863050335E+04 -0.16127E-03 -0.20381E-03 1008 0.665E-02 0.438E-02
DAV: 3 -0.142863049160E+04 0.11743E-04 -0.51090E-05 984 0.137E-02 0.251E-02
DAV: 4 -0.142863049113E+04 0.47410E-06 -0.22138E-05 688 0.100E-02
83 F= -.14286305E+04 E0= -.14286467E+04 d E =-.667036E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863071778E+04 -0.22617E-03 -0.13903E-01 896 0.617E-01 0.780E-02
DAV: 2 -0.142863095329E+04 -0.23551E-03 -0.29395E-03 1000 0.796E-02 0.518E-02
DAV: 3 -0.142863093612E+04 0.17165E-04 -0.71592E-05 1072 0.168E-02 0.301E-02
DAV: 4 -0.142863093549E+04 0.63482E-06 -0.34995E-05 864 0.117E-02
84 F= -.14286309E+04 E0= -.14286471E+04 d E =-.444356E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863102495E+04 -0.88834E-04 -0.33564E-02 896 0.303E-01 0.391E-02
DAV: 2 -0.142863108282E+04 -0.57862E-04 -0.71352E-04 1000 0.392E-02 0.257E-02
DAV: 3 -0.142863107862E+04 0.41938E-05 -0.14634E-05 664 0.841E-03
85 F= -.14286311E+04 E0= -.14286472E+04 d E =-.587493E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863101854E+04 0.64274E-04 -0.13235E-01 896 0.602E-01 0.770E-02
DAV: 2 -0.142863123394E+04 -0.21540E-03 -0.27281E-03 1000 0.767E-02 0.511E-02
DAV: 3 -0.142863121816E+04 0.15775E-04 -0.68213E-05 1072 0.161E-02 0.293E-02
DAV: 4 -0.142863121805E+04 0.10672E-06 -0.33167E-05 856 0.114E-02
86 F= -.14286312E+04 E0= -.14286474E+04 d E =-.726925E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863144527E+04 -0.22711E-03 -0.20307E-01 896 0.747E-01 0.949E-02
DAV: 2 -0.142863178881E+04 -0.34354E-03 -0.42786E-03 976 0.960E-02 0.623E-02
DAV: 3 -0.142863176503E+04 0.23777E-04 -0.10031E-04 1080 0.200E-02 0.360E-02
DAV: 4 -0.142863176518E+04 -0.14846E-06 -0.48999E-05 976 0.140E-02
87 F= -.14286318E+04 E0= -.14286479E+04 d E =-.547124E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863184272E+04 -0.77695E-04 -0.27171E-02 896 0.273E-01 0.365E-02
DAV: 2 -0.142863188941E+04 -0.46686E-04 -0.57688E-04 1000 0.354E-02 0.233E-02
DAV: 3 -0.142863188650E+04 0.29088E-05 -0.12037E-05 624 0.774E-03
88 F= -.14286319E+04 E0= -.14286481E+04 d E =-.668448E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863184454E+04 0.44874E-04 -0.10700E-01 896 0.543E-01 0.700E-02
DAV: 2 -0.142863201855E+04 -0.17402E-03 -0.22007E-03 1000 0.689E-02 0.458E-02
DAV: 3 -0.142863200660E+04 0.11953E-04 -0.53240E-05 1000 0.143E-02 0.260E-02
DAV: 4 -0.142863200697E+04 -0.37185E-06 -0.25166E-05 704 0.102E-02
89 F= -.14286320E+04 E0= -.14286482E+04 d E =-.788919E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863213645E+04 -0.12985E-03 -0.26907E-01 896 0.859E-01 0.109E-01
DAV: 2 -0.142863258686E+04 -0.45042E-03 -0.56279E-03 976 0.110E-01 0.723E-02
DAV: 3 -0.142863255401E+04 0.32853E-04 -0.13719E-04 1096 0.230E-02 0.422E-02
DAV: 4 -0.142863255292E+04 0.10910E-05 -0.67290E-05 1024 0.162E-02
90 F= -.14286326E+04 E0= -.14286487E+04 d E =-.545945E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863259841E+04 -0.44403E-04 -0.16159E-02 896 0.210E-01 0.289E-02
DAV: 2 -0.142863262647E+04 -0.28053E-04 -0.34407E-04 1008 0.275E-02 0.184E-02
DAV: 3 -0.142863262474E+04 0.17283E-05 -0.73752E-06 560 0.612E-03
91 F= -.14286326E+04 E0= -.14286488E+04 d E =-.617764E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863260355E+04 0.22918E-04 -0.63323E-02 896 0.417E-01 0.539E-02
DAV: 2 -0.142863270546E+04 -0.10191E-03 -0.12940E-03 992 0.530E-02 0.356E-02
DAV: 3 -0.142863269796E+04 0.74982E-05 -0.31618E-05 888 0.111E-02
92 F= -.14286327E+04 E0= -.14286488E+04 d E =-.690989E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863280165E+04 -0.96187E-04 -0.29081E-01 896 0.891E-01 0.114E-01
DAV: 2 -0.142863326839E+04 -0.46674E-03 -0.59298E-03 984 0.113E-01 0.752E-02
DAV: 3 -0.142863323276E+04 0.35631E-04 -0.14576E-04 1080 0.236E-02 0.432E-02
DAV: 4 -0.142863323217E+04 0.58916E-06 -0.75058E-05 1032 0.171E-02
93 F= -.14286332E+04 E0= -.14286493E+04 d E =-.534207E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863327171E+04 -0.38955E-04 -0.13258E-02 896 0.190E-01 0.260E-02
DAV: 2 -0.142863329503E+04 -0.23313E-04 -0.28459E-04 1016 0.249E-02 0.164E-02
DAV: 3 -0.142863329341E+04 0.16176E-05 -0.55620E-06 528 0.559E-03
94 F= -.14286333E+04 E0= -.14286493E+04 d E =-.595447E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863328902E+04 0.60039E-05 -0.51538E-02 896 0.375E-01 0.485E-02
DAV: 2 -0.142863337111E+04 -0.82091E-04 -0.10484E-03 1008 0.477E-02 0.317E-02
DAV: 3 -0.142863336465E+04 0.64615E-05 -0.23926E-05 792 0.997E-03
95 F= -.14286334E+04 E0= -.14286494E+04 d E =-.666690E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863351074E+04 -0.13963E-03 -0.29918E-01 896 0.907E-01 0.115E-01
DAV: 2 -0.142863399632E+04 -0.48558E-03 -0.61025E-03 976 0.115E-01 0.758E-02
DAV: 3 -0.142863396209E+04 0.34230E-04 -0.14704E-04 1088 0.239E-02 0.436E-02
DAV: 4 -0.142863396242E+04 -0.33412E-06 -0.73350E-05 1024 0.171E-02
96 F= -.14286340E+04 E0= -.14286500E+04 d E =-.597770E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863401926E+04 -0.57167E-04 -0.24576E-02 896 0.260E-01 0.350E-02
DAV: 2 -0.142863406190E+04 -0.42641E-04 -0.52032E-04 992 0.338E-02 0.222E-02
DAV: 3 -0.142863405935E+04 0.25439E-05 -0.10712E-05 608 0.742E-03
97 F= -.14286341E+04 E0= -.14286501E+04 d E =-.694701E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863401565E+04 0.46244E-04 -0.96279E-02 896 0.515E-01 0.660E-02
DAV: 2 -0.142863417070E+04 -0.15504E-03 -0.19546E-03 992 0.651E-02 0.433E-02
DAV: 3 -0.142863415988E+04 0.10820E-04 -0.46214E-05 952 0.135E-02 0.247E-02
DAV: 4 -0.142863416016E+04 -0.27934E-06 -0.24154E-05 688 0.999E-03
98 F= -.14286342E+04 E0= -.14286503E+04 d E =-.795504E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863420471E+04 -0.44835E-04 -0.32017E-01 896 0.938E-01 0.119E-01
DAV: 2 -0.142863474204E+04 -0.53733E-03 -0.67079E-03 960 0.121E-01 0.792E-02
DAV: 3 -0.142863470451E+04 0.37526E-04 -0.15816E-04 1088 0.257E-02 0.469E-02
DAV: 4 -0.142863470432E+04 0.19603E-06 -0.83697E-05 1040 0.188E-02
99 F= -.14286347E+04 E0= -.14286508E+04 d E =-.544163E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863474720E+04 -0.42680E-04 -0.18793E-02 896 0.227E-01 0.320E-02
DAV: 2 -0.142863477963E+04 -0.32431E-04 -0.40224E-04 1016 0.300E-02 0.202E-02
DAV: 3 -0.142863477798E+04 0.16478E-05 -0.95759E-06 560 0.698E-03
100 F= -.14286348E+04 E0= -.14286509E+04 d E =-.617822E-03