./Stage_1/0.005_+e3 OSZICAR.out output for 746: MT amorphous(poly(oxydiphenylene_pyromellitide)) from job 738 (test-4)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.393668329916E+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 -0.24705E-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 0.17283E-04 -0.64065E-05 1008 0.154E-02 0.164E-02
DAV: 8 -0.142858326228E+04 0.51010E-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 -0.142859847360E+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 -0.76413E-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 0.46198E-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 -0.142859840446E+04 0.46514E-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 -0.15166E-05 -0.29636E-04 1032 0.333E-02 0.294E-02
DAV: 6 -0.142859656441E+04 0.10856E-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 -0.142860450036E+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 -0.10693E-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 0.36344E-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 -0.93886E-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 -0.142860808857E+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 -0.32484E-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 -0.142860812224E+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 =-.191841E-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 0.47669E-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 0.26138E-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 -0.142861066160E+04 -0.11089E-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 0.88804E-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 0.11219E-05 -0.39775E-05 912 0.137E-02
16 F= -.14286117E+04 E0= -.14286285E+04 d E =-.898109E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861177420E+04 -0.98703E-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 0.74584E-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 -0.56951E-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 0.15095E-05 -0.33844E-05 808 0.127E-02
18 F= -.14286127E+04 E0= -.14286295E+04 d E =-.769641E-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 -0.142861354327E+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 -0.142861378946E+04 0.20283E-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 -0.142861403859E+04 0.54879E-05 -0.29686E-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 0.25531E-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 0.19955E-04 -0.48841E-02 896 0.370E-01 0.465E-02
DAV: 2 -0.142861414030E+04 -0.81956E-04 -0.10556E-03 1000 0.485E-02 0.305E-02
DAV: 3 -0.142861413387E+04 0.64348E-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 =-.640828E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861477172E+04 0.55370E-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 0.35227E-04 -0.17173E-04 1064 0.268E-02 0.474E-02
DAV: 4 -0.142861526041E+04 0.24954E-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 0.42286E-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 0.28857E-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 -0.16162E-06 -0.28529E-05 768 0.113E-02
28 F= -.14286170E+04 E0= -.14286339E+04 d E =-.566160E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861671595E+04 0.23662E-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 0.21421E-05 -0.11794E-04 1032 0.225E-02 0.176E-02
DAV: 5 -0.142861738707E+04 0.96711E-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 -0.142861804108E+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 -0.14659E-06 -0.38874E-05 904 0.135E-02
30 F= -.14286180E+04 E0= -.14286349E+04 d E =-.638625E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861794524E+04 0.80314E-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 0.37979E-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 0.86371E-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 -0.76623E-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 -0.78088E-05 1080 0.168E-02 0.293E-02
DAV: 4 -0.142861930520E+04 0.17703E-05 -0.33075E-05 800 0.123E-02
33 F= -.14286193E+04 E0= -.14286361E+04 d E =-.880682E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861964202E+04 -0.33504E-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 0.13649E-04 -0.59616E-05 1032 0.162E-02 0.277E-02
DAV: 4 -0.142861979739E+04 0.91909E-06 -0.31849E-05 816 0.122E-02
34 F= -.14286198E+04 E0= -.14286366E+04 d E =-.492187E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142861982641E+04 -0.28100E-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 =-.632758E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862029134E+04 -0.34395E-03 -0.77232E-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 -0.142862040399E+04 0.97792E-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 -0.142862044536E+04 -0.31593E-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 -0.142862057812E+04 0.11415E-04 -0.54383E-05 984 0.149E-02 0.265E-02
DAV: 4 -0.142862057793E+04 0.19230E-06 -0.25060E-05 680 0.111E-02
37 F= -.14286206E+04 E0= -.14286373E+04 d E =-.639974E-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 -0.11591E-03 -0.14640E-03 1016 0.568E-02 0.369E-02
DAV: 3 -0.142862098523E+04 0.69472E-05 -0.40178E-05 912 0.120E-02
38 F= -.14286210E+04 E0= -.14286377E+04 d E =-.407294E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862093927E+04 0.52906E-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 -0.142862124424E+04 0.11540E-07 -0.46918E-05 952 0.140E-02
39 F= -.14286212E+04 E0= -.14286379E+04 d E =-.666303E-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 0.12377E-04 -0.64994E-05 1048 0.161E-02 0.290E-02
DAV: 4 -0.142862171713E+04 0.21675E-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 -0.74033E-04 -0.25651E-02 896 0.267E-01 0.364E-02
DAV: 2 -0.142862183496E+04 -0.43587E-04 -0.54562E-04 1016 0.348E-02 0.229E-02
DAV: 3 -0.142862183251E+04 0.24531E-05 -0.13160E-05 592 0.779E-03
41 F= -.14286218E+04 E0= -.14286385E+04 d E =-.588276E-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 -0.20941E-03 1016 0.673E-02 0.458E-02
DAV: 3 -0.142862186818E+04 0.10499E-04 -0.54671E-05 992 0.144E-02 0.264E-02
DAV: 4 -0.142862186802E+04 0.16198E-06 -0.23606E-05 704 0.107E-02
42 F= -.14286219E+04 E0= -.14286385E+04 d E =-.623784E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862186030E+04 0.78814E-05 -0.16889E-02 896 0.217E-01 0.266E-02
DAV: 2 -0.142862188789E+04 -0.27586E-04 -0.35292E-04 1016 0.276E-02 0.182E-02
DAV: 3 -0.142862188538E+04 0.25095E-05 -0.78139E-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 0.28834E-05 -0.43401E-05 944 0.144E-02
44 F= -.14286224E+04 E0= -.14286391E+04 d E =-.554311E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862245038E+04 -0.78128E-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 -0.142862258607E+04 0.85819E-05 -0.46746E-05 984 0.135E-02
45 F= -.14286226E+04 E0= -.14286392E+04 d E =-.700698E-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 -0.142862309069E+04 0.16698E-05 -0.38500E-05 904 0.141E-02
46 F= -.14286231E+04 E0= -.14286396E+04 d E =-.504611E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862310867E+04 -0.16312E-04 -0.21648E-02 896 0.246E-01 0.338E-02
DAV: 2 -0.142862314597E+04 -0.37306E-04 -0.47360E-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 =-.557181E-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 0.11576E-06 -0.40783E-05 928 0.131E-02
48 F= -.14286236E+04 E0= -.14286400E+04 d E =-.470065E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862364100E+04 -0.27568E-04 -0.56474E-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 0.60017E-05 -0.29716E-05 816 0.110E-02
49 F= -.14286237E+04 E0= -.14286402E+04 d E =-.590141E-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 0.91670E-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 -0.20481E-04 -0.14346E-02 896 0.199E-01 0.282E-02
DAV: 2 -0.142862427492E+04 -0.25583E-04 -0.32129E-04 1016 0.267E-02 0.175E-02
DAV: 3 -0.142862427340E+04 0.15213E-05 -0.74276E-06 544 0.603E-03
51 F= -.14286243E+04 E0= -.14286407E+04 d E =-.540004E-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 0.68150E-06 -0.38199E-05 904 0.125E-02
52 F= -.14286247E+04 E0= -.14286411E+04 d E =-.401193E-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 =-.446189E-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 -0.11027E-03 -0.13791E-03 1016 0.542E-02 0.359E-02
DAV: 3 -0.142862468990E+04 0.77928E-05 -0.34265E-05 904 0.113E-02
54 F= -.14286247E+04 E0= -.14286411E+04 d E =-.416505E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862467441E+04 0.23286E-04 -0.30682E-02 896 0.291E-01 0.342E-02
DAV: 2 -0.142862473252E+04 -0.58113E-04 -0.71227E-04 984 0.389E-02 0.233E-02
DAV: 3 -0.142862472770E+04 0.48244E-05 -0.14364E-05 664 0.777E-03
55 F= -.14286247E+04 E0= -.14286411E+04 d E =-.454300E-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 -0.142862504012E+04 0.10140E-05 -0.27589E-05 800 0.108E-02
56 F= -.14286250E+04 E0= -.14286414E+04 d E =-.312416E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862500008E+04 0.41046E-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 -0.142862521989E+04 0.14043E-04 -0.64287E-05 1048 0.153E-02 0.288E-02
DAV: 4 -0.142862522024E+04 -0.34418E-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 -0.142862558451E+04 -0.10098E-03 -0.12667E-03 1008 0.531E-02 0.342E-02
DAV: 3 -0.142862557626E+04 0.82493E-05 -0.35091E-05 888 0.117E-02
58 F= -.14286256E+04 E0= -.14286419E+04 d E =-.356026E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862559146E+04 -0.69497E-05 -0.44628E-02 896 0.353E-01 0.480E-02
DAV: 2 -0.142862566247E+04 -0.71007E-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 =-.436064E-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 0.50316E-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 0.41166E-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 -0.20106E-06 -0.19616E-05 632 0.940E-03
61 F= -.14286260E+04 E0= -.14286424E+04 d E =-.310767E-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 -0.142862628418E+04 -0.91897E-04 -0.11506E-03 1016 0.501E-02 0.317E-02
DAV: 3 -0.142862627725E+04 0.69268E-05 -0.28460E-05 816 0.106E-02
62 F= -.14286263E+04 E0= -.14286426E+04 d E =-.310180E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862627203E+04 0.12142E-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 0.96750E-05 -0.43227E-05 960 0.126E-02
63 F= -.14286264E+04 E0= -.14286427E+04 d E =-.419036E-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 0.69949E-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 0.91312E-04 -0.15879E-01 896 0.657E-01 0.847E-02
DAV: 2 -0.142862684882E+04 -0.26550E-03 -0.33084E-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 -0.13834E-06 -0.38856E-05 920 0.127E-02
65 F= -.14286268E+04 E0= -.14286431E+04 d E =-.443517E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862702012E+04 -0.19064E-03 -0.85742E-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 -0.142862716338E+04 0.99915E-05 -0.45843E-05 936 0.129E-02
66 F= -.14286272E+04 E0= -.14286434E+04 d E =-.333753E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862707178E+04 0.10158E-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 0.15468E-06 -0.28849E-05 792 0.118E-02
67 F= -.14286273E+04 E0= -.14286436E+04 d E =-.450496E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862745259E+04 -0.17232E-03 -0.90852E-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 0.99665E-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 -0.142862717818E+04 0.43446E-03 -0.39491E-01 896 0.104E+00 0.134E-01
DAV: 2 -0.142862784251E+04 -0.66433E-03 -0.83484E-03 984 0.134E-01 0.877E-02
DAV: 3 -0.142862779852E+04 0.43991E-04 -0.20639E-04 1080 0.275E-02 0.507E-02
DAV: 4 -0.142862780029E+04 -0.17718E-05 -0.97459E-05 1024 0.196E-02
69 F= -.14286278E+04 E0= -.14286442E+04 d E =-.520172E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862773134E+04 0.67178E-04 -0.48616E-02 896 0.366E-01 0.437E-02
DAV: 2 -0.142862781291E+04 -0.81567E-04 -0.10463E-03 960 0.474E-02 0.301E-02
DAV: 3 -0.142862780555E+04 0.73532E-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 -0.77221E-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 0.22803E-05 -0.19893E-05 616 0.951E-03
71 F= -.14286282E+04 E0= -.14286445E+04 d E =-.390692E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862823358E+04 -0.35051E-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 -0.142862831843E+04 0.71634E-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 0.91026E-05 -0.40469E-05 928 0.123E-02
73 F= -.14286286E+04 E0= -.14286449E+04 d E =-.291200E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862862229E+04 -0.35635E-05 -0.41016E-02 896 0.336E-01 0.458E-02
DAV: 2 -0.142862868694E+04 -0.64650E-04 -0.84229E-04 1024 0.431E-02 0.296E-02
DAV: 3 -0.142862868153E+04 0.54170E-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 -0.10507E-03 -0.13334E-03 1024 0.540E-02 0.360E-02
DAV: 3 -0.142862894772E+04 0.78798E-05 -0.33586E-05 856 0.119E-02
75 F= -.14286289E+04 E0= -.14286452E+04 d E =-.266193E-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 -0.142862911939E+04 -0.29143E-03 -0.37021E-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 -0.142862909779E+04 -0.24816E-06 -0.46190E-05 944 0.143E-02
76 F= -.14286291E+04 E0= -.14286454E+04 d E =-.416260E-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 -0.57095E-04 -0.70584E-04 976 0.392E-02 0.253E-02
DAV: 3 -0.142862929228E+04 0.34328E-05 -0.14740E-05 672 0.826E-03
77 F= -.14286293E+04 E0= -.14286456E+04 d E =-.194492E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862923685E+04 0.58858E-04 -0.29583E-01 896 0.898E-01 0.114E-01
DAV: 2 -0.142862972384E+04 -0.48699E-03 -0.61015E-03 976 0.115E-01 0.744E-02
DAV: 3 -0.142862969188E+04 0.31960E-04 -0.14232E-04 1072 0.231E-02 0.429E-02
DAV: 4 -0.142862969323E+04 -0.13476E-05 -0.73878E-05 1032 0.171E-02
78 F= -.14286297E+04 E0= -.14286460E+04 d E =-.595440E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862971196E+04 -0.20080E-04 -0.30706E-02 896 0.289E-01 0.383E-02
DAV: 2 -0.142862976593E+04 -0.53968E-04 -0.65551E-04 992 0.377E-02 0.242E-02
DAV: 3 -0.142862976277E+04 0.31594E-05 -0.12830E-05 640 0.797E-03
79 F= -.14286298E+04 E0= -.14286461E+04 d E =-.664981E-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 -0.142862982332E+04 0.12538E-04 -0.57977E-05 1024 0.147E-02 0.274E-02
DAV: 4 -0.142862982410E+04 -0.77975E-06 -0.29890E-05 792 0.110E-02
80 F= -.14286298E+04 E0= -.14286461E+04 d E =-.726310E-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 -0.142863028987E+04 -0.23016E-03 -0.28621E-03 1000 0.788E-02 0.507E-02
DAV: 3 -0.142863027359E+04 0.16281E-04 -0.69764E-05 1056 0.162E-02 0.295E-02
DAV: 4 -0.142863027285E+04 0.73556E-06 -0.30986E-05 824 0.115E-02
81 F= -.14286303E+04 E0= -.14286465E+04 d E =-.448755E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863035047E+04 -0.76885E-04 -0.24713E-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 -0.142863039030E+04 0.29657E-05 -0.11210E-05 608 0.716E-03
82 F= -.14286304E+04 E0= -.14286466E+04 d E =-.566202E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863034208E+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 -0.142863049161E+04 0.11743E-04 -0.51090E-05 984 0.137E-02 0.251E-02
DAV: 4 -0.142863049113E+04 0.47391E-06 -0.22138E-05 688 0.100E-02
83 F= -.14286305E+04 E0= -.14286467E+04 d E =-.667038E-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 -0.142863093613E+04 0.17165E-04 -0.71593E-05 1072 0.168E-02 0.301E-02
DAV: 4 -0.142863093549E+04 0.63473E-06 -0.34996E-05 864 0.117E-02
84 F= -.14286309E+04 E0= -.14286471E+04 d E =-.444360E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863102496E+04 -0.88833E-04 -0.33562E-02 896 0.303E-01 0.391E-02
DAV: 2 -0.142863108282E+04 -0.57859E-04 -0.71348E-04 1000 0.392E-02 0.257E-02
DAV: 3 -0.142863107863E+04 0.41938E-05 -0.14633E-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 -0.142863101856E+04 0.64263E-04 -0.13235E-01 896 0.602E-01 0.770E-02
DAV: 2 -0.142863123394E+04 -0.21538E-03 -0.27280E-03 1000 0.767E-02 0.511E-02
DAV: 3 -0.142863121817E+04 0.15775E-04 -0.68209E-05 1072 0.161E-02 0.293E-02
DAV: 4 -0.142863121806E+04 0.10661E-06 -0.33165E-05 856 0.114E-02
86 F= -.14286312E+04 E0= -.14286474E+04 d E =-.726924E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863144527E+04 -0.22711E-03 -0.20309E-01 896 0.747E-01 0.949E-02
DAV: 2 -0.142863178885E+04 -0.34358E-03 -0.42791E-03 976 0.960E-02 0.623E-02
DAV: 3 -0.142863176507E+04 0.23780E-04 -0.10033E-04 1080 0.200E-02 0.360E-02
DAV: 4 -0.142863176522E+04 -0.14828E-06 -0.49005E-05 976 0.140E-02
87 F= -.14286318E+04 E0= -.14286479E+04 d E =-.547158E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863184275E+04 -0.77683E-04 -0.27166E-02 896 0.273E-01 0.365E-02
DAV: 2 -0.142863188943E+04 -0.46678E-04 -0.57679E-04 1000 0.354E-02 0.233E-02
DAV: 3 -0.142863188652E+04 0.29081E-05 -0.12035E-05 624 0.774E-03
88 F= -.14286319E+04 E0= -.14286481E+04 d E =-.668462E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863184455E+04 0.44876E-04 -0.10698E-01 896 0.543E-01 0.700E-02
DAV: 2 -0.142863201854E+04 -0.17399E-03 -0.22004E-03 1000 0.689E-02 0.458E-02
DAV: 3 -0.142863200659E+04 0.11951E-04 -0.53232E-05 1000 0.143E-02 0.260E-02
DAV: 4 -0.142863200696E+04 -0.37179E-06 -0.25162E-05 704 0.102E-02
89 F= -.14286320E+04 E0= -.14286482E+04 d E =-.788905E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863213633E+04 -0.12974E-03 -0.26916E-01 896 0.859E-01 0.109E-01
DAV: 2 -0.142863258690E+04 -0.45057E-03 -0.56297E-03 976 0.111E-01 0.723E-02
DAV: 3 -0.142863255403E+04 0.32864E-04 -0.13723E-04 1096 0.230E-02 0.422E-02
DAV: 4 -0.142863255294E+04 0.10915E-05 -0.67312E-05 1024 0.162E-02
90 F= -.14286326E+04 E0= -.14286487E+04 d E =-.545977E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863259842E+04 -0.44388E-04 -0.16154E-02 896 0.210E-01 0.289E-02
DAV: 2 -0.142863262646E+04 -0.28044E-04 -0.34396E-04 1008 0.275E-02 0.184E-02
DAV: 3 -0.142863262474E+04 0.17275E-05 -0.73729E-06 560 0.611E-03
91 F= -.14286326E+04 E0= -.14286488E+04 d E =-.617774E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863260358E+04 0.22888E-04 -0.63302E-02 896 0.417E-01 0.539E-02
DAV: 2 -0.142863270546E+04 -0.10188E-03 -0.12936E-03 992 0.530E-02 0.356E-02
DAV: 3 -0.142863269796E+04 0.74951E-05 -0.31607E-05 888 0.110E-02
92 F= -.14286327E+04 E0= -.14286488E+04 d E =-.690997E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863280150E+04 -0.96045E-04 -0.29101E-01 896 0.891E-01 0.115E-01
DAV: 2 -0.142863326859E+04 -0.46709E-03 -0.59342E-03 984 0.113E-01 0.752E-02
DAV: 3 -0.142863323293E+04 0.35660E-04 -0.14587E-04 1080 0.236E-02 0.432E-02
DAV: 4 -0.142863323234E+04 0.59139E-06 -0.75113E-05 1032 0.171E-02
93 F= -.14286332E+04 E0= -.14286493E+04 d E =-.534376E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863327183E+04 -0.38906E-04 -0.13230E-02 896 0.190E-01 0.260E-02
DAV: 2 -0.142863329510E+04 -0.23265E-04 -0.28401E-04 1016 0.248E-02 0.164E-02
DAV: 3 -0.142863329348E+04 0.16144E-05 -0.55509E-06 528 0.558E-03
94 F= -.14286333E+04 E0= -.14286493E+04 d E =-.595524E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863328918E+04 0.59226E-05 -0.51428E-02 896 0.375E-01 0.485E-02
DAV: 2 -0.142863337109E+04 -0.81915E-04 -0.10462E-03 1008 0.477E-02 0.317E-02
DAV: 3 -0.142863336464E+04 0.64480E-05 -0.23876E-05 792 0.996E-03
95 F= -.14286334E+04 E0= -.14286494E+04 d E =-.666683E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863351062E+04 -0.13953E-03 -0.29926E-01 896 0.907E-01 0.115E-01
DAV: 2 -0.142863399633E+04 -0.48571E-03 -0.61042E-03 976 0.115E-01 0.758E-02
DAV: 3 -0.142863396209E+04 0.34242E-04 -0.14707E-04 1088 0.239E-02 0.436E-02
DAV: 4 -0.142863396242E+04 -0.33234E-06 -0.73370E-05 1024 0.171E-02
96 F= -.14286340E+04 E0= -.14286500E+04 d E =-.597779E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863401922E+04 -0.57134E-04 -0.24560E-02 896 0.260E-01 0.350E-02
DAV: 2 -0.142863406184E+04 -0.42614E-04 -0.51999E-04 992 0.338E-02 0.222E-02
DAV: 3 -0.142863405930E+04 0.25419E-05 -0.10706E-05 608 0.742E-03
97 F= -.14286341E+04 E0= -.14286501E+04 d E =-.694654E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863401562E+04 0.46217E-04 -0.96216E-02 896 0.515E-01 0.660E-02
DAV: 2 -0.142863417057E+04 -0.15494E-03 -0.19534E-03 992 0.651E-02 0.433E-02
DAV: 3 -0.142863415975E+04 0.10813E-04 -0.46185E-05 952 0.135E-02 0.247E-02
DAV: 4 -0.142863416003E+04 -0.27941E-06 -0.24139E-05 688 0.998E-03
98 F= -.14286342E+04 E0= -.14286503E+04 d E =-.795388E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863420471E+04 -0.44955E-04 -0.32000E-01 896 0.938E-01 0.119E-01
DAV: 2 -0.142863474176E+04 -0.53705E-03 -0.67044E-03 960 0.121E-01 0.791E-02
DAV: 3 -0.142863470425E+04 0.37506E-04 -0.15807E-04 1088 0.257E-02 0.469E-02
DAV: 4 -0.142863470406E+04 0.19550E-06 -0.83655E-05 1040 0.188E-02
99 F= -.14286347E+04 E0= -.14286508E+04 d E =-.544027E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863474697E+04 -0.42718E-04 -0.18823E-02 896 0.227E-01 0.320E-02
DAV: 2 -0.142863477945E+04 -0.32482E-04 -0.40286E-04 1016 0.300E-02 0.203E-02
DAV: 3 -0.142863477780E+04 0.16512E-05 -0.95880E-06 560 0.699E-03
100 F= -.14286348E+04 E0= -.14286509E+04 d E =-.617771E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863475173E+04 0.27725E-04 -0.74047E-02 896 0.451E-01 0.586E-02
DAV: 2 -0.142863487133E+04 -0.11960E-03 -0.15154E-03 968 0.573E-02 0.388E-02
DAV: 3 -0.142863486321E+04 0.81260E-05 -0.36001E-05 912 0.121E-02
101 F= -.14286349E+04 E0= -.14286510E+04 d E =-.703176E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863498505E+04 -0.11371E-03 -0.32523E-01 896 0.945E-01 0.122E-01
DAV: 2 -0.142863550761E+04 -0.52257E-03 -0.66747E-03 992 0.121E-01 0.803E-02
DAV: 3 -0.142863546954E+04 0.38071E-04 -0.16656E-04 1088 0.255E-02 0.463E-02
DAV: 4 -0.142863547056E+04 -0.10124E-05 -0.81114E-05 1056 0.187E-02
102 F= -.14286355E+04 E0= -.14286515E+04 d E =-.607347E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863553396E+04 -0.64416E-04 -0.36944E-02 896 0.318E-01 0.435E-02
DAV: 2 -0.142863559677E+04 -0.62813E-04 -0.78449E-04 1008 0.418E-02 0.276E-02
DAV: 3 -0.142863559290E+04 0.38766E-05 -0.17820E-05 704 0.935E-03
103 F= -.14286356E+04 E0= -.14286516E+04 d E =-.729687E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863550182E+04 0.94951E-04 -0.14561E-01 896 0.632E-01 0.827E-02
DAV: 2 -0.142863573469E+04 -0.23287E-03 -0.29814E-03 1000 0.807E-02 0.542E-02
DAV: 3 -0.142863571787E+04 0.16819E-04 -0.74536E-05 1080 0.170E-02 0.311E-02
DAV: 4 -0.142863571850E+04 -0.62493E-06 -0.36625E-05 904 0.126E-02
104 F= -.14286357E+04 E0= -.14286517E+04 d E =-.855287E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863573977E+04 -0.21899E-04 -0.37571E-01 896 0.102E+00 0.130E-01
DAV: 2 -0.142863635289E+04 -0.61312E-03 -0.77101E-03 968 0.130E-01 0.849E-02
DAV: 3 -0.142863630988E+04 0.43018E-04 -0.18212E-04 1088 0.268E-02 0.491E-02
DAV: 4 -0.142863631053E+04 -0.64904E-06 -0.90164E-05 1032 0.189E-02
105 F= -.14286363E+04 E0= -.14286523E+04 d E =-.592030E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863637756E+04 -0.67681E-04 -0.28059E-02 896 0.277E-01 0.379E-02
DAV: 2 -0.142863642507E+04 -0.47517E-04 -0.58674E-04 992 0.360E-02 0.240E-02
DAV: 3 -0.142863642223E+04 0.28490E-05 -0.12429E-05 640 0.800E-03
106 F= -.14286364E+04 E0= -.14286525E+04 d E =-.703730E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863642716E+04 -0.20899E-05 -0.11012E-01 896 0.550E-01 0.713E-02
DAV: 2 -0.142863660037E+04 -0.17320E-03 -0.22102E-03 976 0.695E-02 0.466E-02
DAV: 3 -0.142863658832E+04 0.12044E-04 -0.54064E-05 1032 0.143E-02 0.264E-02
DAV: 4 -0.142863658883E+04 -0.51227E-06 -0.26039E-05 752 0.102E-02
107 F= -.14286366E+04 E0= -.14286526E+04 d E =-.870339E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863600506E+04 0.58326E-03 -0.44415E-01 896 0.110E+00 0.140E-01
DAV: 2 -0.142863673046E+04 -0.72539E-03 -0.91111E-03 960 0.141E-01 0.919E-02
DAV: 3 -0.142863667969E+04 0.50764E-04 -0.21766E-04 1096 0.292E-02 0.533E-02
DAV: 4 -0.142863667969E+04 -0.64756E-09 -0.10496E-04 1040 0.205E-02 0.142E-02
DAV: 5 -0.142863667981E+04 -0.11369E-06 -0.18877E-05 648 0.955E-03
108 F= -.14286367E+04 E0= -.14286528E+04 d E =-.961311E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863677154E+04 -0.91848E-04 -0.16177E-01 896 0.666E-01 0.842E-02
DAV: 2 -0.142863704078E+04 -0.26924E-03 -0.33177E-03 960 0.846E-02 0.555E-02
DAV: 3 -0.142863702301E+04 0.17773E-04 -0.73297E-05 1064 0.177E-02 0.324E-02
DAV: 4 -0.142863702360E+04 -0.59341E-06 -0.39745E-05 944 0.127E-02
109 F= -.14286370E+04 E0= -.14286531E+04 d E =-.343795E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863566818E+04 0.13548E-02 -0.13232E+00 896 0.190E+00 0.241E-01
DAV: 2 -0.142863782181E+04 -0.21536E-02 -0.26981E-02 960 0.242E-01 0.159E-01
DAV: 3 -0.142863766902E+04 0.15279E-03 -0.61788E-04 1080 0.509E-02 0.931E-02
DAV: 4 -0.142863767089E+04 -0.18714E-05 -0.33861E-04 1040 0.370E-02 0.257E-02
DAV: 5 -0.142863767026E+04 0.63083E-06 -0.64931E-05 992 0.174E-02
110 F= -.14286377E+04 E0= -.14286538E+04 d E =-.990457E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142862939737E+04 0.82735E-02 -0.52888E+00 896 0.381E+00 0.479E-01
DAV: 2 -0.142863805660E+04 -0.86592E-02 -0.10806E-01 960 0.484E-01 0.318E-01
DAV: 3 -0.142863744295E+04 0.61365E-03 -0.24433E-03 1080 0.101E-01 0.185E-01
DAV: 4 -0.142863744585E+04 -0.28977E-05 -0.13348E-03 1040 0.734E-02 0.509E-02
DAV: 5 -0.142863744374E+04 0.21053E-05 -0.25590E-04 1048 0.344E-02 0.275E-02
DAV: 6 -0.142863743972E+04 0.40253E-05 -0.61101E-05 992 0.153E-02
111 F= -.14286374E+04 E0= -.14286536E+04 d E =-.759913E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863445066E+04 0.29931E-02 -0.22892E+00 896 0.250E+00 0.313E-01
DAV: 2 -0.142863810938E+04 -0.36587E-02 -0.46451E-02 952 0.317E-01 0.209E-01
DAV: 3 -0.142863782907E+04 0.28031E-03 -0.10718E-03 1080 0.668E-02 0.121E-01
DAV: 4 -0.142863782134E+04 0.77241E-05 -0.58476E-04 1032 0.484E-02 0.332E-02
DAV: 5 -0.142863782111E+04 0.23165E-06 -0.11323E-04 1040 0.227E-02 0.179E-02
DAV: 6 -0.142863781949E+04 0.16202E-05 -0.23795E-05 712 0.988E-03
112 F= -.14286378E+04 E0= -.14286540E+04 d E =-.113969E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863814911E+04 -0.32799E-03 -0.30865E-01 896 0.919E-01 0.115E-01
DAV: 2 -0.142863864187E+04 -0.49277E-03 -0.63229E-03 968 0.117E-01 0.768E-02
DAV: 3 -0.142863859990E+04 0.41968E-04 -0.15310E-04 1080 0.253E-02 0.447E-02
DAV: 4 -0.142863859731E+04 0.25937E-05 -0.80839E-05 1040 0.182E-02
113 F= -.14286386E+04 E0= -.14286547E+04 d E =-.777817E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863873820E+04 -0.13830E-03 -0.10482E-01 896 0.536E-01 0.705E-02
DAV: 2 -0.142863891187E+04 -0.17367E-03 -0.21739E-03 976 0.690E-02 0.458E-02
DAV: 3 -0.142863889965E+04 0.12220E-04 -0.50744E-05 992 0.152E-02 0.271E-02
DAV: 4 -0.142863890035E+04 -0.70258E-06 -0.29604E-05 824 0.112E-02
114 F= -.14286389E+04 E0= -.14286549E+04 d E =-.108086E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863856016E+04 0.33949E-03 -0.41779E-01 896 0.107E+00 0.137E-01
DAV: 2 -0.142863924588E+04 -0.68572E-03 -0.86299E-03 968 0.137E-01 0.899E-02
DAV: 3 -0.142863919464E+04 0.51244E-04 -0.20523E-04 1088 0.295E-02 0.527E-02
DAV: 4 -0.142863919418E+04 0.46035E-06 -0.11058E-04 1056 0.215E-02 0.152E-02
DAV: 5 -0.142863919379E+04 0.38901E-06 -0.20749E-05 680 0.101E-02
115 F= -.14286392E+04 E0= -.14286552E+04 d E =-.137430E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863947506E+04 -0.28089E-03 -0.26151E-01 896 0.848E-01 0.108E-01
DAV: 2 -0.142863991726E+04 -0.44220E-03 -0.55189E-03 984 0.109E-01 0.707E-02
DAV: 3 -0.142863988576E+04 0.31504E-04 -0.13167E-04 1080 0.229E-02 0.413E-02
DAV: 4 -0.142863988543E+04 0.33111E-06 -0.65761E-05 1040 0.161E-02
116 F= -.14286399E+04 E0= -.14286558E+04 d E =-.691638E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863999893E+04 -0.11317E-03 -0.50614E-02 896 0.373E-01 0.495E-02
DAV: 2 -0.142864008486E+04 -0.85925E-04 -0.10754E-03 992 0.485E-02 0.318E-02
DAV: 3 -0.142864007874E+04 0.61168E-05 -0.23330E-05 800 0.105E-02
117 F= -.14286401E+04 E0= -.14286560E+04 d E =-.884952E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142863997036E+04 0.11450E-03 -0.19952E-01 896 0.741E-01 0.963E-02
DAV: 2 -0.142864029036E+04 -0.32000E-03 -0.40987E-03 984 0.946E-02 0.629E-02
DAV: 3 -0.142864026723E+04 0.23133E-04 -0.10474E-04 1080 0.199E-02 0.361E-02
DAV: 4 -0.142864026763E+04 -0.39930E-06 -0.50384E-05 1008 0.141E-02
118 F= -.14286403E+04 E0= -.14286561E+04 d E =-.107384E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864040879E+04 -0.14157E-03 -0.40075E-01 896 0.105E+00 0.135E-01
DAV: 2 -0.142864107387E+04 -0.66507E-03 -0.84466E-03 984 0.136E-01 0.886E-02
DAV: 3 -0.142864102420E+04 0.49666E-04 -0.20185E-04 1080 0.289E-02 0.521E-02
DAV: 4 -0.142864102375E+04 0.45089E-06 -0.12040E-04 1024 0.214E-02 0.140E-02
DAV: 5 -0.142864102373E+04 0.22701E-07 -0.19697E-05 680 0.954E-03
119 F= -.14286410E+04 E0= -.14286569E+04 d E =-.756100E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864108060E+04 -0.56849E-04 -0.85857E-02 896 0.486E-01 0.625E-02
DAV: 2 -0.142864122614E+04 -0.14554E-03 -0.18171E-03 992 0.629E-02 0.408E-02
DAV: 3 -0.142864121579E+04 0.10354E-04 -0.40309E-05 912 0.132E-02 0.240E-02
DAV: 4 -0.142864121593E+04 -0.14831E-06 -0.27342E-05 760 0.102E-02
120 F= -.14286412E+04 E0= -.14286571E+04 d E =-.948310E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864077811E+04 0.43768E-03 -0.34331E-01 896 0.971E-01 0.125E-01
DAV: 2 -0.142864134533E+04 -0.56722E-03 -0.72185E-03 992 0.126E-01 0.819E-02
DAV: 3 -0.142864130256E+04 0.42769E-04 -0.17267E-04 1080 0.267E-02 0.482E-02
DAV: 4 -0.142864130189E+04 0.67365E-06 -0.10297E-04 1032 0.198E-02 0.129E-02
DAV: 5 -0.142864130186E+04 0.26295E-07 -0.16733E-05 616 0.883E-03
121 F= -.14286413E+04 E0= -.14286572E+04 d E =-.103424E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864123418E+04 0.67711E-04 -0.56940E-02 896 0.395E-01 0.500E-02
DAV: 2 -0.142864132369E+04 -0.89509E-04 -0.11783E-03 976 0.509E-02 0.333E-02
DAV: 3 -0.142864131583E+04 0.78559E-05 -0.28449E-05 840 0.109E-02
122 F= -.14286413E+04 E0= -.14286572E+04 d E =-.104821E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864115957E+04 0.16412E-03 -0.50326E-01 896 0.118E+00 0.148E-01
DAV: 2 -0.142864202458E+04 -0.86501E-03 -0.10919E-02 984 0.155E-01 0.965E-02
DAV: 3 -0.142864195836E+04 0.66220E-04 -0.26040E-04 1088 0.316E-02 0.568E-02
DAV: 4 -0.142864195432E+04 0.40384E-05 -0.13954E-04 1040 0.236E-02 0.161E-02
DAV: 5 -0.142864195462E+04 -0.30491E-06 -0.24915E-05 680 0.106E-02
123 F= -.14286420E+04 E0= -.14286578E+04 d E =-.638793E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864191771E+04 0.36608E-04 -0.59805E-02 896 0.406E-01 0.529E-02
DAV: 2 -0.142864202336E+04 -0.10565E-03 -0.13000E-03 984 0.531E-02 0.337E-02
DAV: 3 -0.142864201644E+04 0.69243E-05 -0.27828E-05 840 0.109E-02
124 F= -.14286420E+04 E0= -.14286578E+04 d E =-.700604E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864204221E+04 -0.18851E-04 -0.34734E-01 896 0.978E-01 0.126E-01
DAV: 2 -0.142864260433E+04 -0.56212E-03 -0.72290E-03 984 0.126E-01 0.835E-02
DAV: 3 -0.142864256237E+04 0.41960E-04 -0.19017E-04 1072 0.275E-02 0.485E-02
DAV: 4 -0.142864256151E+04 0.85877E-06 -0.98278E-05 1040 0.197E-02
125 F= -.14286426E+04 E0= -.14286583E+04 d E =-.545079E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864257600E+04 -0.13622E-04 -0.29943E-03 912 0.908E-02 0.152E-02
DAV: 2 -0.142864258149E+04 -0.54950E-05 -0.72698E-05 960 0.132E-02
126 F= -.14286426E+04 E0= -.14286583E+04 d E =-.565055E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864258968E+04 -0.13688E-04 -0.11482E-02 896 0.178E-01 0.266E-02
DAV: 2 -0.142864260661E+04 -0.16930E-04 -0.23405E-04 1016 0.226E-02 0.176E-02
DAV: 3 -0.142864260500E+04 0.16173E-05 -0.59699E-06 536 0.544E-03
127 F= -.14286426E+04 E0= -.14286583E+04 d E =-.588560E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864276441E+04 -0.15779E-03 -0.20989E-01 896 0.760E-01 0.964E-02
DAV: 2 -0.142864310953E+04 -0.34512E-03 -0.43335E-03 1008 0.972E-02 0.629E-02
DAV: 3 -0.142864308418E+04 0.25347E-04 -0.10546E-04 1080 0.204E-02 0.361E-02
DAV: 4 -0.142864308402E+04 0.16188E-06 -0.50738E-05 1008 0.141E-02
128 F= -.14286431E+04 E0= -.14286588E+04 d E =-.479025E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864313258E+04 -0.48394E-04 -0.21285E-02 896 0.242E-01 0.327E-02
DAV: 2 -0.142864316919E+04 -0.36611E-04 -0.44906E-04 1016 0.315E-02 0.207E-02
DAV: 3 -0.142864316681E+04 0.23813E-05 -0.95035E-06 568 0.705E-03
129 F= -.14286432E+04 E0= -.14286589E+04 d E =-.561810E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864310847E+04 0.60716E-04 -0.83653E-02 896 0.480E-01 0.621E-02
DAV: 2 -0.142864324319E+04 -0.13471E-03 -0.17050E-03 1016 0.610E-02 0.403E-02
DAV: 3 -0.142864323344E+04 0.97438E-05 -0.41229E-05 944 0.129E-02
130 F= -.14286432E+04 E0= -.14286590E+04 d E =-.628446E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864340581E+04 -0.16262E-03 -0.10386E-01 896 0.534E-01 0.698E-02
DAV: 2 -0.142864356965E+04 -0.16385E-03 -0.20803E-03 1000 0.674E-02 0.450E-02
DAV: 3 -0.142864355903E+04 0.10626E-04 -0.50794E-05 1000 0.141E-02 0.254E-02
DAV: 4 -0.142864355987E+04 -0.83847E-06 -0.24262E-05 704 0.101E-02
131 F= -.14286436E+04 E0= -.14286593E+04 d E =-.326424E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864325080E+04 0.30823E-03 -0.44292E-01 896 0.110E+00 0.139E-01
DAV: 2 -0.142864399085E+04 -0.74005E-03 -0.92001E-03 1000 0.141E-01 0.906E-02
DAV: 3 -0.142864394004E+04 0.50809E-04 -0.20896E-04 1080 0.291E-02 0.527E-02
DAV: 4 -0.142864393965E+04 0.38724E-06 -0.10885E-04 1040 0.210E-02 0.141E-02
DAV: 5 -0.142864394008E+04 -0.42777E-06 -0.19849E-05 664 0.960E-03
132 F= -.14286439E+04 E0= -.14286597E+04 d E =-.706637E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864387972E+04 0.59933E-04 -0.61111E-02 896 0.410E-01 0.520E-02
DAV: 2 -0.142864398520E+04 -0.10548E-03 -0.12793E-03 1000 0.525E-02 0.335E-02
DAV: 3 -0.142864397858E+04 0.66178E-05 -0.25286E-05 792 0.108E-02
133 F= -.14286440E+04 E0= -.14286597E+04 d E =-.745141E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864415339E+04 -0.16819E-03 -0.23214E-01 896 0.798E-01 0.103E-01
DAV: 2 -0.142864453045E+04 -0.37706E-03 -0.48142E-03 1008 0.103E-01 0.672E-02
DAV: 3 -0.142864450462E+04 0.25833E-04 -0.12145E-04 1072 0.216E-02 0.391E-02
DAV: 4 -0.142864450502E+04 -0.40301E-06 -0.64987E-05 1008 0.161E-02
134 F= -.14286445E+04 E0= -.14286601E+04 d E =-.526436E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864457654E+04 -0.71922E-04 -0.30214E-02 896 0.288E-01 0.384E-02
DAV: 2 -0.142864462947E+04 -0.52929E-04 -0.65252E-04 1024 0.380E-02 0.245E-02
DAV: 3 -0.142864462600E+04 0.34625E-05 -0.13065E-05 608 0.822E-03
135 F= -.14286446E+04 E0= -.14286602E+04 d E =-.647421E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864458360E+04 0.45866E-04 -0.11857E-01 896 0.571E-01 0.742E-02
DAV: 2 -0.142864477489E+04 -0.19129E-03 -0.24514E-03 1016 0.736E-02 0.481E-02
DAV: 3 -0.142864476199E+04 0.12900E-04 -0.61801E-05 1040 0.154E-02 0.280E-02
DAV: 4 -0.142864476224E+04 -0.25464E-06 -0.32876E-05 816 0.117E-02
136 F= -.14286448E+04 E0= -.14286603E+04 d E =-.783662E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864497181E+04 -0.20982E-03 -0.16406E-01 896 0.673E-01 0.870E-02
DAV: 2 -0.142864525408E+04 -0.28227E-03 -0.35549E-03 1008 0.885E-02 0.561E-02
DAV: 3 -0.142864523409E+04 0.19988E-04 -0.86004E-05 1072 0.184E-02 0.331E-02
DAV: 4 -0.142864523395E+04 0.14161E-06 -0.44860E-05 944 0.135E-02
137 F= -.14286452E+04 E0= -.14286608E+04 d E =-.471706E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864529276E+04 -0.58670E-04 -0.18651E-02 896 0.227E-01 0.314E-02
DAV: 2 -0.142864532520E+04 -0.32439E-04 -0.40876E-04 1008 0.303E-02 0.196E-02
DAV: 3 -0.142864532316E+04 0.20394E-05 -0.92299E-06 568 0.664E-03
138 F= -.14286453E+04 E0= -.14286609E+04 d E =-.560917E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864528808E+04 0.37119E-04 -0.73436E-02 896 0.451E-01 0.592E-02
DAV: 2 -0.142864540895E+04 -0.12087E-03 -0.15506E-03 1024 0.584E-02 0.381E-02
DAV: 3 -0.142864540024E+04 0.87070E-05 -0.37946E-05 896 0.121E-02
139 F= -.14286454E+04 E0= -.14286611E+04 d E =-.637997E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864553761E+04 -0.12866E-03 -0.16223E-01 896 0.668E-01 0.864E-02
DAV: 2 -0.142864578814E+04 -0.25053E-03 -0.32432E-03 1000 0.843E-02 0.566E-02
DAV: 3 -0.142864577013E+04 0.18007E-04 -0.82184E-05 1072 0.181E-02 0.325E-02
DAV: 4 -0.142864577082E+04 -0.68672E-06 -0.40291E-05 944 0.130E-02
140 F= -.14286458E+04 E0= -.14286614E+04 d E =-.370576E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864575060E+04 0.19527E-04 -0.10776E-01 896 0.544E-01 0.701E-02
DAV: 2 -0.142864592629E+04 -0.17569E-03 -0.22244E-03 1008 0.701E-02 0.457E-02
DAV: 3 -0.142864591417E+04 0.12128E-04 -0.53267E-05 984 0.152E-02 0.272E-02
DAV: 4 -0.142864591441E+04 -0.24090E-06 -0.28866E-05 784 0.112E-02
141 F= -.14286459E+04 E0= -.14286616E+04 d E =-.514167E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.142864616152E+04 -0.24736E-03 -0.61758E-02 896 0.415E-01 0.543E-02
DAV: 2 -0.142864626844E+04 -0.10692E-03 -0.13695E-03 1032 0.556E-02 0.356E-02
DAV: 3 -0.142864625933E+04 0.91093E-05 -0.36168E-05 872 0.123E-02
142 F= -.14286463E+04 E0= -.14286619E+04 d E =-.344927E-03