N E dE d eps ncg rms rms(c)
DAV: 1 0.968678992937E+04 0.96868E+04 -0.60432E+05 1700 0.121E+03
DAV: 2 -0.818214276877E+03 -0.10505E+05 -0.10120E+05 2032 0.304E+02
DAV: 3 -0.198712114485E+04 -0.11689E+04 -0.11505E+04 1960 0.107E+02
DAV: 4 -0.202719830107E+04 -0.40077E+02 -0.39782E+02 2096 0.205E+01
DAV: 5 -0.202825955665E+04 -0.10613E+01 -0.10586E+01 1952 0.321E+00 0.106E+02
DAV: 6 -0.181162271849E+04 0.21664E+03 -0.10847E+03 1840 0.313E+01 0.628E+01
DAV: 7 -0.180184830845E+04 0.97744E+01 -0.10381E+02 1952 0.134E+01 0.376E+01
DAV: 8 -0.180151626262E+04 0.33205E+00 -0.22815E+01 2176 0.848E+00 0.181E+01
DAV: 9 -0.179877697308E+04 0.27393E+01 -0.14963E+01 2376 0.567E+00 0.100E+01
DAV: 10 -0.179883440798E+04 -0.57435E-01 -0.10258E+01 1960 0.320E+00 0.913E+00
DAV: 11 -0.179831594386E+04 0.51846E+00 -0.46995E+00 2320 0.230E+00 0.429E+00
DAV: 12 -0.179817918120E+04 0.13676E+00 -0.88798E-01 1912 0.107E+00 0.284E+00
DAV: 13 -0.179815250251E+04 0.26679E-01 -0.10135E+00 2344 0.950E-01 0.280E+00
DAV: 14 -0.179815348881E+04 -0.98630E-03 -0.61906E-01 1952 0.585E-01 0.248E+00
DAV: 15 -0.179813768838E+04 0.15800E-01 -0.11962E-01 2064 0.412E-01 0.145E+00
DAV: 16 -0.179814607929E+04 -0.83909E-02 -0.17100E-01 1968 0.284E-01 0.143E+00
DAV: 17 -0.179813536031E+04 0.10719E-01 -0.29257E-02 2008 0.179E-01 0.768E-01
DAV: 18 -0.179813479073E+04 0.56958E-03 -0.13026E-02 2048 0.109E-01 0.678E-01
DAV: 19 -0.179813356742E+04 0.12233E-02 -0.39397E-03 2000 0.696E-02 0.326E-01
DAV: 20 -0.179813358222E+04 -0.14799E-04 -0.24470E-03 2032 0.439E-02 0.150E-01
DAV: 21 -0.179813345706E+04 0.12516E-03 -0.13417E-03 2088 0.326E-02 0.681E-02
DAV: 22 -0.179813345340E+04 0.36653E-05 -0.36125E-04 1968 0.203E-02 0.444E-02
DAV: 23 -0.179813344766E+04 0.57333E-05 -0.95062E-05 1832 0.106E-02
1 T= 299. E= -.17857408E+04 F= -.17981334E+04 E0= -.17981093E+04 EK= 0.12393E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179821678189E+04 -0.83328E-01 -0.57514E-01 1680 0.966E-01 0.354E-01
DAV: 2 -0.179821855787E+04 -0.17760E-02 -0.18281E-02 1952 0.154E-01 0.348E-01
DAV: 3 -0.179821873971E+04 -0.18184E-03 -0.45816E-03 2112 0.724E-02 0.505E-01
DAV: 4 -0.179821783492E+04 0.90479E-03 -0.19343E-03 2096 0.447E-02 0.160E-01
DAV: 5 -0.179821770248E+04 0.13244E-03 -0.78937E-04 1968 0.254E-02 0.788E-02
DAV: 6 -0.179821775258E+04 -0.50100E-04 -0.34739E-04 1888 0.170E-02 0.908E-02
DAV: 7 -0.179821770462E+04 0.47956E-04 -0.26253E-04 1776 0.138E-02 0.329E-02
DAV: 8 -0.179821770470E+04 -0.80516E-07 -0.52358E-05 1288 0.769E-03
2 T= 301. E= -.17857408E+04 F= -.17982177E+04 E0= -.17981933E+04 EK= 0.12477E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179833655262E+04 -0.11885E+00 -0.57423E-04 1688 0.181E-01 0.468E-02
DAV: 2 -0.179833672877E+04 -0.17616E-03 -0.14303E-03 1832 0.421E-02 0.112E-01
DAV: 3 -0.179833665862E+04 0.70154E-04 -0.19791E-04 1912 0.138E-02 0.425E-02
DAV: 4 -0.179833665480E+04 0.38219E-05 -0.46615E-05 1272 0.659E-03
3 T= 304. E= -.17857408E+04 F= -.17983367E+04 E0= -.17983124E+04 EK= 0.12596E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179849000876E+04 -0.15335E+00 -0.88386E-05 1472 0.179E-01 0.487E-02
DAV: 2 -0.179849010954E+04 -0.10079E-03 -0.54943E-04 2160 0.241E-02 0.112E-01
DAV: 3 -0.179849001410E+04 0.95445E-04 -0.20000E-04 1920 0.147E-02 0.462E-02
DAV: 4 -0.179849001365E+04 0.44460E-06 -0.58925E-05 1328 0.702E-03
4 T= 307. E= -.17857408E+04 F= -.17984900E+04 E0= -.17984657E+04 EK= 0.12749E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179867742451E+04 -0.18741E+00 -0.15453E-04 1888 0.181E-01 0.546E-02
DAV: 2 -0.179867759273E+04 -0.16822E-03 -0.10392E-03 2016 0.304E-02 0.147E-01
DAV: 3 -0.179867745377E+04 0.13896E-03 -0.30419E-04 2064 0.172E-02 0.527E-02
DAV: 4 -0.179867744988E+04 0.38901E-05 -0.51273E-05 1368 0.746E-03
5 T= 312. E= -.17857408E+04 F= -.17986774E+04 E0= -.17986530E+04 EK= 0.12937E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179889857455E+04 -0.22112E+00 -0.37891E-04 2824 0.181E-01 0.795E-02
DAV: 2 -0.179889891519E+04 -0.34064E-03 -0.17374E-03 2040 0.400E-02 0.202E-01
DAV: 3 -0.179889862090E+04 0.29430E-03 -0.67442E-04 2136 0.254E-02 0.866E-02
DAV: 4 -0.179889860921E+04 0.11680E-04 -0.10448E-04 1728 0.975E-03 0.371E-02
DAV: 5 -0.179889860443E+04 0.47883E-05 -0.31188E-05 1192 0.677E-03
6 T= 317. E= -.17857408E+04 F= -.17988986E+04 E0= -.17988742E+04 EK= 0.13158E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179915302507E+04 -0.25442E+00 -0.28884E-04 2670 0.185E-01 0.536E-02
DAV: 2 -0.179915319259E+04 -0.16752E-03 -0.13282E-03 1936 0.363E-02 0.127E-01
DAV: 3 -0.179915309699E+04 0.95596E-04 -0.26239E-04 1924 0.167E-02 0.646E-02
DAV: 4 -0.179915307848E+04 0.18510E-04 -0.62083E-05 1672 0.921E-03 0.237E-02
DAV: 5 -0.179915307623E+04 0.22473E-05 -0.13639E-05 976 0.465E-03
7 T= 323. E= -.17857409E+04 F= -.17991531E+04 E0= -.17991287E+04 EK= 0.13412E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179944039629E+04 -0.28732E+00 -0.54052E-04 2870 0.186E-01 0.725E-02
DAV: 2 -0.179944058215E+04 -0.18586E-03 -0.17543E-03 1976 0.367E-02 0.164E-01
DAV: 3 -0.179944044084E+04 0.14131E-03 -0.67579E-04 1982 0.200E-02 0.372E-02
DAV: 4 -0.179944043500E+04 0.58322E-05 -0.42995E-05 1576 0.749E-03
8 T= 330. E= -.17857409E+04 F= -.17994404E+04 E0= -.17994161E+04 EK= 0.13700E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179976017355E+04 -0.31973E+00 -0.28537E-04 2686 0.189E-01 0.616E-02
DAV: 2 -0.179976030440E+04 -0.13085E-03 -0.17813E-03 1912 0.440E-02 0.957E-02
DAV: 3 -0.179976023749E+04 0.66915E-04 -0.31527E-04 1920 0.190E-02 0.672E-02
DAV: 4 -0.179976022044E+04 0.17043E-04 -0.78156E-05 1720 0.974E-03 0.230E-02
DAV: 5 -0.179976021756E+04 0.28786E-05 -0.21935E-05 992 0.575E-03
9 T= 338. E= -.17857409E+04 F= -.17997602E+04 E0= -.17997359E+04 EK= 0.14019E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180011189582E+04 -0.35168E+00 -0.47443E-04 2886 0.191E-01 0.779E-02
DAV: 2 -0.180011217534E+04 -0.27952E-03 -0.18038E-03 1936 0.457E-02 0.173E-01
DAV: 3 -0.180011196192E+04 0.21342E-03 -0.63691E-04 2024 0.260E-02 0.957E-02
DAV: 4 -0.180011193164E+04 0.30280E-04 -0.11997E-04 1792 0.109E-02 0.349E-02
DAV: 5 -0.180011192674E+04 0.49040E-05 -0.29229E-05 1040 0.611E-03
10 T= 346. E= -.17857409E+04 F= -.18001119E+04 E0= -.18000876E+04 EK= 0.14371E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180049498192E+04 -0.38305E+00 -0.38815E-04 2734 0.195E-01 0.556E-02
DAV: 2 -0.180049512280E+04 -0.14088E-03 -0.17286E-03 1936 0.435E-02 0.796E-02
DAV: 3 -0.180049506515E+04 0.57651E-04 -0.27506E-04 1984 0.203E-02 0.645E-02
DAV: 4 -0.180049504403E+04 0.21123E-04 -0.65849E-05 1728 0.888E-03 0.227E-02
DAV: 5 -0.180049504189E+04 0.21410E-05 -0.14218E-05 976 0.437E-03
11 T= 356. E= -.17857409E+04 F= -.18004950E+04 E0= -.18004708E+04 EK= 0.14754E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180090898227E+04 -0.41394E+00 -0.64044E-04 2902 0.197E-01 0.747E-02
DAV: 2 -0.180090919303E+04 -0.21077E-03 -0.23533E-03 1960 0.450E-02 0.156E-01
DAV: 3 -0.180090903982E+04 0.15321E-03 -0.90798E-04 1982 0.248E-02 0.495E-02
DAV: 4 -0.180090902413E+04 0.15697E-04 -0.66502E-05 1728 0.993E-03 0.344E-02
DAV: 5 -0.180090902006E+04 0.40624E-05 -0.18430E-05 1000 0.485E-03
12 T= 366. E= -.17857409E+04 F= -.18009090E+04 E0= -.18008849E+04 EK= 0.15168E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180135324228E+04 -0.44422E+00 -0.38538E-04 2686 0.200E-01 0.670E-02
DAV: 2 -0.180135338451E+04 -0.14223E-03 -0.21023E-03 1928 0.470E-02 0.102E-01
DAV: 3 -0.180135330881E+04 0.75693E-04 -0.60374E-04 1968 0.234E-02 0.621E-02
DAV: 4 -0.180135328211E+04 0.26707E-04 -0.93142E-05 1832 0.113E-02 0.388E-02
DAV: 5 -0.180135327877E+04 0.33410E-05 -0.19525E-05 990 0.490E-03
13 T= 376. E= -.17857410E+04 F= -.18013533E+04 E0= -.18013293E+04 EK= 0.15612E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180182719020E+04 -0.47391E+00 -0.48875E-04 2806 0.202E-01 0.811E-02
DAV: 2 -0.180182735802E+04 -0.16781E-03 -0.20321E-03 1928 0.452E-02 0.198E-01
DAV: 3 -0.180182724812E+04 0.10990E-03 -0.76040E-04 2024 0.232E-02 0.693E-02
DAV: 4 -0.180182722323E+04 0.24885E-04 -0.95679E-05 1776 0.115E-02 0.279E-02
DAV: 5 -0.180182721947E+04 0.37613E-05 -0.22627E-05 1072 0.548E-03
14 T= 388. E= -.17857410E+04 F= -.18018272E+04 E0= -.18018033E+04 EK= 0.16086E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180233018888E+04 -0.50297E+00 -0.36846E-04 2694 0.206E-01 0.888E-02
DAV: 2 -0.180233042252E+04 -0.23364E-03 -0.23486E-03 1944 0.496E-02 0.218E-01
DAV: 3 -0.180233026915E+04 0.15337E-03 -0.90890E-04 2008 0.277E-02 0.963E-02
DAV: 4 -0.180233022479E+04 0.44364E-04 -0.11334E-04 1872 0.131E-02 0.359E-02
DAV: 5 -0.180233022440E+04 0.39447E-06 -0.27589E-05 1184 0.587E-03
15 T= 400. E= -.17857410E+04 F= -.18023302E+04 E0= -.18023064E+04 EK= 0.16589E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180286160202E+04 -0.53138E+00 -0.45794E-04 2726 0.209E-01 0.662E-02
DAV: 2 -0.180286174250E+04 -0.14048E-03 -0.19056E-03 1984 0.442E-02 0.121E-01
DAV: 3 -0.180286165344E+04 0.89058E-04 -0.67501E-04 1982 0.231E-02 0.507E-02
DAV: 4 -0.180286163594E+04 0.17500E-04 -0.71127E-05 1728 0.101E-02 0.355E-02
DAV: 5 -0.180286163138E+04 0.45638E-05 -0.25610E-05 1008 0.551E-03
16 T= 413. E= -.17857410E+04 F= -.18028616E+04 E0= -.18028381E+04 EK= 0.17121E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180342072893E+04 -0.55909E+00 -0.33311E-04 2558 0.213E-01 0.670E-02
DAV: 2 -0.180342088744E+04 -0.15851E-03 -0.20530E-03 2024 0.458E-02 0.150E-01
DAV: 3 -0.180342079861E+04 0.88826E-04 -0.61975E-04 1980 0.223E-02 0.748E-02
DAV: 4 -0.180342077587E+04 0.22741E-04 -0.90517E-05 1704 0.110E-02 0.296E-02
DAV: 5 -0.180342077325E+04 0.26179E-05 -0.24724E-05 1056 0.546E-03
17 T= 426. E= -.17857410E+04 F= -.18034208E+04 E0= -.18033974E+04 EK= 0.17680E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180400690613E+04 -0.58613E+00 -0.54409E-04 2808 0.216E-01 0.698E-02
DAV: 2 -0.180400703863E+04 -0.13250E-03 -0.17460E-03 1944 0.435E-02 0.107E-01
DAV: 3 -0.180400696224E+04 0.76389E-04 -0.46718E-04 1998 0.216E-02 0.544E-02
DAV: 4 -0.180400694237E+04 0.19871E-04 -0.73192E-05 1720 0.953E-03 0.288E-02
DAV: 5 -0.180400694059E+04 0.17822E-05 -0.13595E-05 972 0.412E-03
18 T= 440. E= -.17857411E+04 F= -.18040069E+04 E0= -.18039838E+04 EK= 0.18266E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180461935033E+04 -0.61241E+00 -0.40406E-04 2792 0.220E-01 0.641E-02
DAV: 2 -0.180461944971E+04 -0.99373E-04 -0.18877E-03 1920 0.475E-02 0.662E-02
DAV: 3 -0.180461941389E+04 0.35816E-04 -0.33522E-04 1968 0.220E-02 0.549E-02
DAV: 4 -0.180461939391E+04 0.19978E-04 -0.84664E-05 1752 0.103E-02 0.333E-02
DAV: 5 -0.180461939188E+04 0.20365E-05 -0.13416E-05 992 0.401E-03
19 T= 455. E= -.17857411E+04 F= -.18046194E+04 E0= -.18045965E+04 EK= 0.18878E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180525732319E+04 -0.63793E+00 -0.49938E-04 2800 0.224E-01 0.942E-02
DAV: 2 -0.180525762815E+04 -0.30497E-03 -0.25313E-03 1952 0.495E-02 0.272E-01
DAV: 3 -0.180525737799E+04 0.25016E-03 -0.11430E-03 2006 0.294E-02 0.699E-02
DAV: 4 -0.180525735390E+04 0.24089E-04 -0.11965E-04 1832 0.128E-02 0.323E-02
DAV: 5 -0.180525734952E+04 0.43829E-05 -0.35224E-05 1252 0.637E-03
20 T= 470. E= -.17857411E+04 F= -.18052573E+04 E0= -.18052348E+04 EK= 0.19516E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180591997356E+04 -0.66262E+00 -0.28675E-04 2416 0.227E-01 0.787E-02
DAV: 2 -0.180592019230E+04 -0.21874E-03 -0.21074E-03 1936 0.469E-02 0.201E-01
DAV: 3 -0.180592005071E+04 0.14159E-03 -0.75045E-04 1984 0.254E-02 0.797E-02
DAV: 4 -0.180592001736E+04 0.33350E-04 -0.10055E-04 1752 0.126E-02 0.357E-02
DAV: 5 -0.180592001724E+04 0.11864E-06 -0.23896E-05 1136 0.528E-03
21 T= 486. E= -.17857411E+04 F= -.18059200E+04 E0= -.18058978E+04 EK= 0.20179E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180660647808E+04 -0.68646E+00 -0.47536E-04 2782 0.232E-01 0.622E-02
DAV: 2 -0.180660658771E+04 -0.10963E-03 -0.16461E-03 1920 0.414E-02 0.109E-01
DAV: 3 -0.180660653984E+04 0.47875E-04 -0.40985E-04 1952 0.184E-02 0.511E-02
DAV: 4 -0.180660652630E+04 0.13531E-04 -0.66318E-05 1600 0.937E-03 0.206E-02
DAV: 5 -0.180660652501E+04 0.12916E-05 -0.13610E-05 992 0.429E-03
22 T= 503. E= -.17857412E+04 F= -.18066065E+04 E0= -.18065846E+04 EK= 0.20865E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180731594328E+04 -0.70942E+00 -0.34430E-04 2606 0.236E-01 0.645E-02
DAV: 2 -0.180731607833E+04 -0.13505E-03 -0.18780E-03 1952 0.452E-02 0.116E-01
DAV: 3 -0.180731602886E+04 0.49473E-04 -0.49265E-04 2000 0.225E-02 0.859E-02
DAV: 4 -0.180731598840E+04 0.40452E-04 -0.89361E-05 1760 0.116E-02 0.267E-02
DAV: 5 -0.180731598819E+04 0.20974E-06 -0.20818E-05 1056 0.517E-03
23 T= 520. E= -.17857412E+04 F= -.18073160E+04 E0= -.18072943E+04 EK= 0.21575E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180804741536E+04 -0.73143E+00 -0.60095E-04 2822 0.239E-01 0.545E-02
DAV: 2 -0.180804755441E+04 -0.13905E-03 -0.17678E-03 1952 0.412E-02 0.989E-02
DAV: 3 -0.180804748315E+04 0.71254E-04 -0.50157E-04 1990 0.204E-02 0.415E-02
DAV: 4 -0.180804747047E+04 0.12684E-04 -0.51856E-05 1592 0.869E-03 0.231E-02
DAV: 5 -0.180804746917E+04 0.12939E-05 -0.11802E-05 992 0.398E-03
24 T= 538. E= -.17857412E+04 F= -.18080475E+04 E0= -.18080263E+04 EK= 0.22306E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180879992371E+04 -0.75245E+00 -0.49104E-04 2710 0.245E-01 0.532E-02
DAV: 2 -0.180880008233E+04 -0.15862E-03 -0.20286E-03 1952 0.457E-02 0.986E-02
DAV: 3 -0.180880002101E+04 0.61318E-04 -0.41733E-04 2008 0.216E-02 0.677E-02
DAV: 4 -0.180879999991E+04 0.21104E-04 -0.72699E-05 1704 0.965E-03 0.265E-02
DAV: 5 -0.180879999800E+04 0.19093E-05 -0.15230E-05 992 0.437E-03
25 T= 556. E= -.17857413E+04 F= -.18088000E+04 E0= -.18087793E+04 EK= 0.23059E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180957248759E+04 -0.77249E+00 -0.76723E-04 2846 0.248E-01 0.717E-02
DAV: 2 -0.180957267098E+04 -0.18339E-03 -0.23389E-03 1952 0.504E-02 0.110E-01
DAV: 3 -0.180957258841E+04 0.82566E-04 -0.48711E-04 1998 0.246E-02 0.790E-02
DAV: 4 -0.180957254952E+04 0.38895E-04 -0.10664E-04 1792 0.114E-02 0.290E-02
DAV: 5 -0.180957254706E+04 0.24572E-05 -0.21409E-05 1032 0.519E-03
26 T= 574. E= -.17857413E+04 F= -.18095725E+04 E0= -.18095523E+04 EK= 0.23831E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181036401466E+04 -0.79147E+00 -0.41133E-04 2656 0.253E-01 0.736E-02
DAV: 2 -0.181036413002E+04 -0.11536E-03 -0.26064E-03 1928 0.572E-02 0.686E-02
DAV: 3 -0.181036408166E+04 0.48354E-04 -0.43572E-04 1968 0.266E-02 0.596E-02
DAV: 4 -0.181036406067E+04 0.20991E-04 -0.11189E-04 1824 0.118E-02 0.312E-02
DAV: 5 -0.181036405743E+04 0.32451E-05 -0.20064E-05 992 0.484E-03
27 T= 593. E= -.17857413E+04 F= -.18103641E+04 E0= -.18103442E+04 EK= 0.24623E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181117338114E+04 -0.80932E+00 -0.54527E-04 2806 0.257E-01 0.730E-02
DAV: 2 -0.181117355081E+04 -0.16966E-03 -0.22601E-03 1904 0.513E-02 0.149E-01
DAV: 3 -0.181117347036E+04 0.80444E-04 -0.58288E-04 2032 0.245E-02 0.797E-02
DAV: 4 -0.181117342919E+04 0.41174E-04 -0.12339E-04 1800 0.137E-02 0.234E-02
DAV: 5 -0.181117342821E+04 0.97712E-06 -0.32385E-05 1208 0.605E-03
28 T= 613. E= -.17857414E+04 F= -.18111734E+04 E0= -.18111539E+04 EK= 0.25432E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181199946542E+04 -0.82604E+00 -0.39498E-04 2462 0.262E-01 0.707E-02
DAV: 2 -0.181199967276E+04 -0.20733E-03 -0.22143E-03 1920 0.491E-02 0.152E-01
DAV: 3 -0.181199956504E+04 0.10772E-03 -0.53307E-04 2008 0.241E-02 0.819E-02
DAV: 4 -0.181199952367E+04 0.41372E-04 -0.11004E-04 1776 0.133E-02 0.294E-02
DAV: 5 -0.181199952292E+04 0.75366E-06 -0.28374E-05 1200 0.594E-03
29 T= 633. E= -.17857414E+04 F= -.18119995E+04 E0= -.18119806E+04 EK= 0.26258E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181284108590E+04 -0.84156E+00 -0.61160E-04 2814 0.266E-01 0.488E-02
DAV: 2 -0.181284120663E+04 -0.12073E-03 -0.16891E-03 1928 0.408E-02 0.628E-02
DAV: 3 -0.181284116943E+04 0.37195E-04 -0.20028E-04 1942 0.168E-02 0.371E-02
DAV: 4 -0.181284116188E+04 0.75562E-05 -0.46612E-05 1520 0.747E-03
30 T= 653. E= -.17857414E+04 F= -.18128412E+04 E0= -.18128227E+04 EK= 0.27100E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181369710968E+04 -0.85594E+00 -0.39395E-04 2606 0.271E-01 0.843E-02
DAV: 2 -0.181369737426E+04 -0.26458E-03 -0.28454E-03 1928 0.583E-02 0.189E-01
DAV: 3 -0.181369719966E+04 0.17460E-03 -0.82693E-04 2000 0.302E-02 0.884E-02
DAV: 4 -0.181369714858E+04 0.51080E-04 -0.13892E-04 1936 0.156E-02 0.278E-02
DAV: 5 -0.181369714824E+04 0.34538E-06 -0.44890E-05 1528 0.714E-03
31 T= 674. E= -.17857415E+04 F= -.18136971E+04 E0= -.18136792E+04 EK= 0.27956E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181456621036E+04 -0.86906E+00 -0.45900E-04 2838 0.274E-01 0.648E-02
DAV: 2 -0.181456632184E+04 -0.11148E-03 -0.19766E-03 1904 0.476E-02 0.888E-02
DAV: 3 -0.181456629891E+04 0.22924E-04 -0.39204E-04 1992 0.220E-02 0.808E-02
DAV: 4 -0.181456625979E+04 0.39129E-04 -0.10106E-04 1792 0.119E-02 0.195E-02
DAV: 5 -0.181456625968E+04 0.10490E-06 -0.23318E-05 1064 0.566E-03
32 T= 695. E= -.17857415E+04 F= -.18145663E+04 E0= -.18145490E+04 EK= 0.28825E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181544719777E+04 -0.88094E+00 -0.44966E-04 2822 0.280E-01 0.447E-02
DAV: 2 -0.181544734166E+04 -0.14390E-03 -0.16474E-03 1936 0.397E-02 0.853E-02
DAV: 3 -0.181544730091E+04 0.40756E-04 -0.18776E-04 1934 0.167E-02 0.564E-02
DAV: 4 -0.181544727922E+04 0.21686E-04 -0.61791E-05 1656 0.951E-03 0.202E-02
DAV: 5 -0.181544727709E+04 0.21292E-05 -0.17378E-05 1024 0.505E-03
33 T= 716. E= -.17857415E+04 F= -.18154473E+04 E0= -.18154306E+04 EK= 0.29706E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181633888168E+04 -0.89160E+00 -0.66902E-04 2838 0.284E-01 0.322E-02
DAV: 2 -0.181633900799E+04 -0.12632E-03 -0.14913E-03 1920 0.361E-02 0.504E-02
DAV: 3 -0.181633897459E+04 0.33402E-04 -0.11391E-04 1880 0.149E-02 0.384E-02
DAV: 4 -0.181633896998E+04 0.46123E-05 -0.28772E-05 1280 0.605E-03
34 T= 737. E= -.17857416E+04 F= -.18163390E+04 E0= -.18163227E+04 EK= 0.30597E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181724005799E+04 -0.90108E+00 -0.47385E-04 2814 0.289E-01 0.835E-02
DAV: 2 -0.181724022885E+04 -0.17086E-03 -0.31295E-03 1920 0.617E-02 0.121E-01
DAV: 3 -0.181724017333E+04 0.55527E-04 -0.71081E-04 2006 0.294E-02 0.103E-01
DAV: 4 -0.181724010733E+04 0.65999E-04 -0.16257E-04 1832 0.154E-02 0.263E-02
DAV: 5 -0.181724010627E+04 0.10591E-05 -0.43582E-05 1488 0.716E-03
35 T= 759. E= -.17857416E+04 F= -.18172401E+04 E0= -.18172243E+04 EK= 0.31499E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181814944326E+04 -0.90934E+00 -0.64477E-04 2862 0.293E-01 0.863E-02
DAV: 2 -0.181814956384E+04 -0.12059E-03 -0.30384E-03 1912 0.608E-02 0.895E-02
DAV: 3 -0.181814952583E+04 0.38015E-04 -0.62667E-04 1976 0.275E-02 0.811E-02
DAV: 4 -0.181814949272E+04 0.33114E-04 -0.13295E-04 1784 0.128E-02 0.231E-02
DAV: 5 -0.181814949144E+04 0.12764E-05 -0.26788E-05 1136 0.599E-03
36 T= 781. E= -.17857416E+04 F= -.18181495E+04 E0= -.18181345E+04 EK= 0.32408E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181906586124E+04 -0.91637E+00 -0.61766E-04 2870 0.299E-01 0.619E-02
DAV: 2 -0.181906600475E+04 -0.14351E-03 -0.24167E-03 1952 0.520E-02 0.646E-02
DAV: 3 -0.181906596839E+04 0.36359E-04 -0.27736E-04 1950 0.222E-02 0.604E-02
DAV: 4 -0.181906594933E+04 0.19064E-04 -0.84972E-05 1760 0.104E-02 0.206E-02
DAV: 5 -0.181906594628E+04 0.30526E-05 -0.19213E-05 1040 0.507E-03
37 T= 803. E= -.17857416E+04 F= -.18190659E+04 E0= -.18190516E+04 EK= 0.33324E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181998822766E+04 -0.92228E+00 -0.71321E-04 2846 0.301E-01 0.485E-02
DAV: 2 -0.181998838055E+04 -0.15289E-03 -0.20047E-03 1944 0.447E-02 0.695E-02
DAV: 3 -0.181998834337E+04 0.37179E-04 -0.20530E-04 1976 0.190E-02 0.612E-02
DAV: 4 -0.181998832116E+04 0.22211E-04 -0.67262E-05 1704 0.956E-03 0.212E-02
DAV: 5 -0.181998831884E+04 0.23239E-05 -0.14020E-05 1000 0.450E-03
38 T= 825. E= -.17857417E+04 F= -.18199883E+04 E0= -.18199745E+04 EK= 0.34247E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182091537594E+04 -0.92705E+00 -0.61093E-04 2830 0.306E-01 0.480E-02
DAV: 2 -0.182091553318E+04 -0.15724E-03 -0.22190E-03 1928 0.462E-02 0.572E-02
DAV: 3 -0.182091549326E+04 0.39922E-04 -0.17605E-04 1974 0.182E-02 0.428E-02
DAV: 4 -0.182091548707E+04 0.61832E-05 -0.46224E-05 1520 0.727E-03
39 T= 848. E= -.17857417E+04 F= -.18209155E+04 E0= -.18209023E+04 EK= 0.35174E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182184631784E+04 -0.93082E+00 -0.64252E-04 2832 0.310E-01 0.794E-02
DAV: 2 -0.182184644475E+04 -0.12691E-03 -0.30372E-03 1888 0.612E-02 0.829E-02
DAV: 3 -0.182184642961E+04 0.15141E-04 -0.42504E-04 2032 0.269E-02 0.907E-02
DAV: 4 -0.182184637341E+04 0.56200E-04 -0.16458E-04 1872 0.145E-02 0.224E-02
DAV: 5 -0.182184637252E+04 0.89066E-06 -0.37513E-05 1464 0.654E-03
40 T= 870. E= -.17857417E+04 F= -.18218464E+04 E0= -.18218338E+04 EK= 0.36105E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182277993218E+04 -0.93356E+00 -0.37473E-04 2582 0.313E-01 0.824E-02
DAV: 2 -0.182278006905E+04 -0.13687E-03 -0.27901E-03 1896 0.591E-02 0.117E-01
DAV: 3 -0.182278003466E+04 0.34392E-04 -0.54554E-04 2016 0.280E-02 0.931E-02
DAV: 4 -0.182277997279E+04 0.61866E-04 -0.17646E-04 1856 0.156E-02 0.208E-02
DAV: 5 -0.182277997342E+04 -0.63103E-06 -0.43605E-05 1440 0.686E-03
41 T= 893. E= -.17857417E+04 F= -.18227800E+04 E0= -.18227680E+04 EK= 0.37038E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182371528208E+04 -0.93531E+00 -0.33623E-04 2662 0.316E-01 0.545E-02
DAV: 2 -0.182371537784E+04 -0.95759E-04 -0.15966E-03 1936 0.415E-02 0.578E-02
DAV: 3 -0.182371535573E+04 0.22101E-04 -0.19299E-04 1966 0.182E-02 0.544E-02
DAV: 4 -0.182371534101E+04 0.14729E-04 -0.56792E-05 1640 0.824E-03 0.211E-02
DAV: 5 -0.182371534039E+04 0.61250E-06 -0.89880E-06 988 0.342E-03
42 T= 915. E= -.17857417E+04 F= -.18237153E+04 E0= -.18237039E+04 EK= 0.37974E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182465151739E+04 -0.93618E+00 -0.39572E-04 2510 0.322E-01 0.483E-02
DAV: 2 -0.182465165062E+04 -0.13323E-03 -0.18132E-03 1928 0.402E-02 0.803E-02
DAV: 3 -0.182465161271E+04 0.37916E-04 -0.24644E-04 1934 0.172E-02 0.473E-02
DAV: 4 -0.182465159529E+04 0.17417E-04 -0.60084E-05 1632 0.951E-03 0.215E-02
DAV: 5 -0.182465159301E+04 0.22797E-05 -0.15475E-05 1008 0.465E-03
43 T= 938. E= -.17857418E+04 F= -.18246516E+04 E0= -.18246409E+04 EK= 0.38910E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182558781661E+04 -0.93622E+00 -0.82501E-04 2878 0.324E-01 0.514E-02
DAV: 2 -0.182558801225E+04 -0.19564E-03 -0.21364E-03 1928 0.412E-02 0.991E-02
DAV: 3 -0.182558795293E+04 0.59317E-04 -0.27864E-04 1960 0.184E-02 0.504E-02
DAV: 4 -0.182558793697E+04 0.15957E-04 -0.48845E-05 1656 0.828E-03 0.268E-02
DAV: 5 -0.182558793602E+04 0.95741E-06 -0.69253E-06 1000 0.312E-03
44 T= 960. E= -.17857417E+04 F= -.18255879E+04 E0= -.18255778E+04 EK= 0.39846E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182652349083E+04 -0.93555E+00 -0.76535E-04 2918 0.330E-01 0.576E-02
DAV: 2 -0.182652369940E+04 -0.20857E-03 -0.30417E-03 1920 0.545E-02 0.617E-02
DAV: 3 -0.182652363689E+04 0.62513E-04 -0.23071E-04 2046 0.226E-02 0.390E-02
DAV: 4 -0.182652363197E+04 0.49214E-05 -0.75943E-05 1656 0.908E-03
45 T= 983. E= -.17857417E+04 F= -.18265236E+04 E0= -.18265140E+04 EK= 0.40782E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182745802643E+04 -0.93439E+00 -0.56073E-04 2836 0.332E-01 0.978E-02
DAV: 2 -0.182745811801E+04 -0.91581E-04 -0.38908E-03 1912 0.728E-02 0.758E-02
DAV: 3 -0.182745807670E+04 0.41311E-04 -0.68981E-04 2008 0.324E-02 0.692E-02
DAV: 4 -0.182745804308E+04 0.33618E-04 -0.18601E-04 1912 0.145E-02 0.299E-02
DAV: 5 -0.182745803993E+04 0.31480E-05 -0.33062E-05 1280 0.663E-03
46 T= 1005. E= -.17857417E+04 F= -.18274580E+04 E0= -.18274491E+04 EK= 0.41716E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182839057852E+04 -0.93254E+00 -0.43824E-04 2868 0.335E-01 0.979E-02
DAV: 2 -0.182839074903E+04 -0.17052E-03 -0.36226E-03 1912 0.686E-02 0.144E-01
DAV: 3 -0.182839068799E+04 0.61043E-04 -0.88694E-04 1992 0.339E-02 0.105E-01
DAV: 4 -0.182839060119E+04 0.86803E-04 -0.21266E-04 2000 0.183E-02 0.224E-02
DAV: 5 -0.182839060216E+04 -0.97371E-06 -0.55129E-05 1632 0.791E-03
47 T= 1028. E= -.17857417E+04 F= -.18283906E+04 E0= -.18283821E+04 EK= 0.42649E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182932077188E+04 -0.93017E+00 -0.40015E-04 2692 0.339E-01 0.793E-02
DAV: 2 -0.182932096579E+04 -0.19391E-03 -0.22335E-03 1928 0.507E-02 0.139E-01
DAV: 3 -0.182932087418E+04 0.91610E-04 -0.61774E-04 2016 0.280E-02 0.804E-02
DAV: 4 -0.182932082550E+04 0.48682E-04 -0.11226E-04 1840 0.136E-02 0.230E-02
DAV: 5 -0.182932082572E+04 -0.21611E-06 -0.27906E-05 1280 0.591E-03
48 T= 1050. E= -.17857417E+04 F= -.18293208E+04 E0= -.18293130E+04 EK= 0.43579E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183024820599E+04 -0.92738E+00 -0.32242E-04 2572 0.343E-01 0.466E-02
DAV: 2 -0.183024832597E+04 -0.11997E-03 -0.16546E-03 1968 0.402E-02 0.584E-02
DAV: 3 -0.183024829236E+04 0.33605E-04 -0.21157E-04 1968 0.180E-02 0.355E-02
DAV: 4 -0.183024828216E+04 0.10207E-04 -0.54543E-05 1600 0.825E-03 0.164E-02
DAV: 5 -0.183024828097E+04 0.11893E-05 -0.14394E-05 1048 0.490E-03
49 T= 1073. E= -.17857416E+04 F= -.18302483E+04 E0= -.18302408E+04 EK= 0.44507E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183117254564E+04 -0.92426E+00 -0.46578E-04 2788 0.346E-01 0.398E-02
DAV: 2 -0.183117269400E+04 -0.14836E-03 -0.14657E-03 1968 0.377E-02 0.777E-02
DAV: 3 -0.183117264200E+04 0.51998E-04 -0.20170E-04 1976 0.178E-02 0.454E-02
DAV: 4 -0.183117262832E+04 0.13681E-04 -0.40500E-05 1488 0.791E-03 0.230E-02
DAV: 5 -0.183117262716E+04 0.11624E-05 -0.86421E-06 1008 0.348E-03
50 T= 1095. E= -.17857416E+04 F= -.18311726E+04 E0= -.18311658E+04 EK= 0.45431E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183209347058E+04 -0.92084E+00 -0.72344E-04 2924 0.351E-01 0.408E-02
DAV: 2 -0.183209367436E+04 -0.20378E-03 -0.21993E-03 1928 0.433E-02 0.779E-02
DAV: 3 -0.183209362075E+04 0.53607E-04 -0.15290E-04 1950 0.169E-02 0.501E-02
DAV: 4 -0.183209360599E+04 0.14760E-04 -0.49179E-05 1568 0.836E-03 0.290E-02
DAV: 5 -0.183209359866E+04 0.73357E-05 -0.16792E-05 1072 0.553E-03
51 T= 1117. E= -.17857416E+04 F= -.18320936E+04 E0= -.18320873E+04 EK= 0.46352E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183301085571E+04 -0.91725E+00 -0.99425E-04 2888 0.354E-01 0.527E-02
DAV: 2 -0.183301110981E+04 -0.25409E-03 -0.30749E-03 1920 0.540E-02 0.752E-02
DAV: 3 -0.183301104205E+04 0.67753E-04 -0.20185E-04 1968 0.215E-02 0.533E-02
DAV: 4 -0.183301102822E+04 0.13828E-04 -0.72865E-05 1704 0.966E-03 0.293E-02
DAV: 5 -0.183301102420E+04 0.40258E-05 -0.10298E-05 1008 0.395E-03
52 T= 1139. E= -.17857416E+04 F= -.18330110E+04 E0= -.18330052E+04 EK= 0.47269E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183392464691E+04 -0.91362E+00 -0.83498E-04 2904 0.358E-01 0.822E-02
DAV: 2 -0.183392492576E+04 -0.27884E-03 -0.44995E-03 1912 0.694E-02 0.961E-02
DAV: 3 -0.183392485711E+04 0.68644E-04 -0.41883E-04 2078 0.283E-02 0.827E-02
DAV: 4 -0.183392481034E+04 0.46773E-04 -0.14993E-04 1888 0.141E-02 0.278E-02
DAV: 5 -0.183392480622E+04 0.41158E-05 -0.34163E-05 1396 0.673E-03
53 T= 1161. E= -.17857415E+04 F= -.18339248E+04 E0= -.18339195E+04 EK= 0.48183E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183483484921E+04 -0.91004E+00 -0.56462E-04 2856 0.359E-01 0.907E-02
DAV: 2 -0.183483502803E+04 -0.17882E-03 -0.41949E-03 1912 0.708E-02 0.799E-02
DAV: 3 -0.183483497842E+04 0.49608E-04 -0.40242E-04 2184 0.291E-02 0.772E-02
DAV: 4 -0.183483494111E+04 0.37310E-04 -0.13122E-04 1904 0.129E-02 0.224E-02
DAV: 5 -0.183483493813E+04 0.29776E-05 -0.29807E-05 1296 0.657E-03
54 T= 1183. E= -.17857415E+04 F= -.18348349E+04 E0= -.18348299E+04 EK= 0.49093E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183574137957E+04 -0.90644E+00 -0.31899E-04 2744 0.363E-01 0.760E-02
DAV: 2 -0.183574152771E+04 -0.14814E-03 -0.31733E-03 1904 0.616E-02 0.647E-02
DAV: 3 -0.183574147812E+04 0.49594E-04 -0.33189E-04 2094 0.257E-02 0.533E-02
DAV: 4 -0.183574146162E+04 0.16500E-04 -0.10440E-04 1784 0.108E-02 0.207E-02
DAV: 5 -0.183574145932E+04 0.23007E-05 -0.15262E-05 998 0.487E-03
55 T= 1205. E= -.17857414E+04 F= -.18357415E+04 E0= -.18357369E+04 EK= 0.50000E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183664438738E+04 -0.90293E+00 -0.40833E-04 2760 0.365E-01 0.616E-02
DAV: 2 -0.183664454923E+04 -0.16184E-03 -0.25433E-03 1920 0.533E-02 0.738E-02
DAV: 3 -0.183664450867E+04 0.40555E-04 -0.30369E-04 1984 0.229E-02 0.662E-02
DAV: 4 -0.183664447879E+04 0.29888E-04 -0.94184E-05 1824 0.112E-02 0.206E-02
DAV: 5 -0.183664447690E+04 0.18832E-05 -0.17139E-05 1016 0.501E-03
56 T= 1227. E= -.17857414E+04 F= -.18366445E+04 E0= -.18366404E+04 EK= 0.50903E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183754406685E+04 -0.89959E+00 -0.35091E-04 2744 0.369E-01 0.620E-02
DAV: 2 -0.183754421512E+04 -0.14827E-03 -0.26570E-03 1928 0.531E-02 0.558E-02
DAV: 3 -0.183754416609E+04 0.49028E-04 -0.20377E-04 2240 0.215E-02 0.355E-02
DAV: 4 -0.183754416184E+04 0.42454E-05 -0.54882E-05 1592 0.793E-03
57 T= 1248. E= -.17857413E+04 F= -.18375442E+04 E0= -.18375404E+04 EK= 0.51803E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183844066241E+04 -0.89650E+00 -0.36480E-04 2774 0.371E-01 0.803E-02
DAV: 2 -0.183844080184E+04 -0.13943E-03 -0.30497E-03 1912 0.607E-02 0.849E-02
DAV: 3 -0.183844077196E+04 0.29879E-04 -0.43484E-04 1992 0.266E-02 0.871E-02
DAV: 4 -0.183844071800E+04 0.53958E-04 -0.13795E-04 1896 0.137E-02 0.227E-02
DAV: 5 -0.183844071735E+04 0.64613E-06 -0.27658E-05 1272 0.604E-03
58 T= 1270. E= -.17857413E+04 F= -.18384407E+04 E0= -.18384372E+04 EK= 0.52699E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183933436079E+04 -0.89364E+00 -0.46433E-04 2798 0.375E-01 0.783E-02
DAV: 2 -0.183933453140E+04 -0.17060E-03 -0.30965E-03 1912 0.607E-02 0.950E-02
DAV: 3 -0.183933449672E+04 0.34680E-04 -0.47023E-04 2016 0.283E-02 0.875E-02
DAV: 4 -0.183933443875E+04 0.57964E-04 -0.14995E-04 1912 0.145E-02 0.221E-02
DAV: 5 -0.183933443840E+04 0.34911E-06 -0.37397E-05 1462 0.671E-03
59 T= 1292. E= -.17857412E+04 F= -.18393344E+04 E0= -.18393312E+04 EK= 0.53593E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184022555469E+04 -0.89112E+00 -0.57454E-04 2862 0.377E-01 0.613E-02
DAV: 2 -0.184022570407E+04 -0.14938E-03 -0.24386E-03 1904 0.506E-02 0.565E-02
DAV: 3 -0.184022567396E+04 0.30108E-04 -0.20452E-04 2080 0.215E-02 0.541E-02
DAV: 4 -0.184022565708E+04 0.16884E-04 -0.64662E-05 1712 0.899E-03 0.198E-02
DAV: 5 -0.184022565441E+04 0.26645E-05 -0.13591E-05 1024 0.460E-03
60 T= 1313. E= -.17857411E+04 F= -.18402257E+04 E0= -.18402226E+04 EK= 0.54485E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184111464179E+04 -0.88898E+00 -0.50595E-04 2814 0.381E-01 0.557E-02
DAV: 2 -0.184111482490E+04 -0.18311E-03 -0.23032E-03 1928 0.469E-02 0.816E-02
DAV: 3 -0.184111475963E+04 0.65265E-04 -0.28650E-04 1976 0.204E-02 0.383E-02
DAV: 4 -0.184111474773E+04 0.11906E-04 -0.61926E-05 1680 0.943E-03 0.208E-02
DAV: 5 -0.184111474329E+04 0.44345E-05 -0.23362E-05 1240 0.608E-03
61 T= 1335. E= -.17857411E+04 F= -.18411147E+04 E0= -.18411118E+04 EK= 0.55374E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184200201962E+04 -0.88727E+00 -0.53303E-04 2862 0.384E-01 0.639E-02
DAV: 2 -0.184200226584E+04 -0.24621E-03 -0.24001E-03 1936 0.487E-02 0.120E-01
DAV: 3 -0.184200215907E+04 0.10677E-03 -0.40419E-04 1982 0.248E-02 0.604E-02
DAV: 4 -0.184200213239E+04 0.26676E-04 -0.82561E-05 1792 0.111E-02 0.252E-02
DAV: 5 -0.184200213105E+04 0.13408E-05 -0.14529E-05 1040 0.449E-03
62 T= 1356. E= -.17857410E+04 F= -.18420021E+04 E0= -.18419994E+04 EK= 0.56261E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184288812552E+04 -0.88599E+00 -0.79287E-04 2878 0.388E-01 0.679E-02
DAV: 2 -0.184288839436E+04 -0.26885E-03 -0.30819E-03 1936 0.556E-02 0.124E-01
DAV: 3 -0.184288830420E+04 0.90167E-04 -0.39580E-04 1976 0.252E-02 0.715E-02
DAV: 4 -0.184288826148E+04 0.42714E-04 -0.11518E-04 1840 0.138E-02 0.230E-02
DAV: 5 -0.184288825873E+04 0.27504E-05 -0.41516E-05 1544 0.728E-03
63 T= 1377. E= -.17857409E+04 F= -.18428883E+04 E0= -.18428854E+04 EK= 0.57147E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184377349637E+04 -0.88523E+00 -0.76642E-04 2886 0.390E-01 0.621E-02
DAV: 2 -0.184377371236E+04 -0.21599E-03 -0.28552E-03 1936 0.533E-02 0.908E-02
DAV: 3 -0.184377366349E+04 0.48872E-04 -0.30768E-04 2008 0.228E-02 0.688E-02
DAV: 4 -0.184377362849E+04 0.34994E-04 -0.99810E-05 1840 0.121E-02 0.229E-02
DAV: 5 -0.184377362674E+04 0.17510E-05 -0.19556E-05 1096 0.531E-03
64 T= 1399. E= -.17857409E+04 F= -.18437736E+04 E0= -.18437706E+04 EK= 0.58033E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184465859300E+04 -0.88496E+00 -0.82884E-04 2886 0.393E-01 0.537E-02
DAV: 2 -0.184465878846E+04 -0.19546E-03 -0.27947E-03 1936 0.508E-02 0.529E-02
DAV: 3 -0.184465874608E+04 0.42379E-04 -0.17006E-04 2158 0.194E-02 0.370E-02
DAV: 4 -0.184465874103E+04 0.50529E-05 -0.46145E-05 1512 0.717E-03
65 T= 1420. E= -.17857408E+04 F= -.18446587E+04 E0= -.18446554E+04 EK= 0.58918E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184554400674E+04 -0.88526E+00 -0.81702E-04 2886 0.396E-01 0.827E-02
DAV: 2 -0.184554423240E+04 -0.22567E-03 -0.37421E-03 1912 0.643E-02 0.107E-01
DAV: 3 -0.184554417479E+04 0.57606E-04 -0.41144E-04 1968 0.273E-02 0.900E-02
DAV: 4 -0.184554411670E+04 0.58099E-04 -0.14309E-04 1896 0.152E-02 0.264E-02
DAV: 5 -0.184554411498E+04 0.17124E-05 -0.36797E-05 1416 0.678E-03
66 T= 1441. E= -.17857407E+04 F= -.18455441E+04 E0= -.18455400E+04 EK= 0.59803E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184643021412E+04 -0.88610E+00 -0.65383E-04 2870 0.400E-01 0.892E-02
DAV: 2 -0.184643044695E+04 -0.23283E-03 -0.36008E-03 1912 0.658E-02 0.135E-01
DAV: 3 -0.184643037814E+04 0.68809E-04 -0.49896E-04 1992 0.303E-02 0.993E-02
DAV: 4 -0.184643030112E+04 0.77016E-04 -0.17696E-04 1904 0.171E-02 0.239E-02
DAV: 5 -0.184643030147E+04 -0.34041E-06 -0.52971E-05 1608 0.780E-03
67 T= 1463. E= -.17857407E+04 F= -.18464303E+04 E0= -.18464252E+04 EK= 0.60690E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184731777910E+04 -0.88748E+00 -0.36220E-04 2782 0.404E-01 0.713E-02
DAV: 2 -0.184731798550E+04 -0.20640E-03 -0.28784E-03 1912 0.564E-02 0.103E-01
DAV: 3 -0.184731793551E+04 0.49983E-04 -0.34688E-04 2030 0.261E-02 0.853E-02
DAV: 4 -0.184731788209E+04 0.53429E-04 -0.11897E-04 1856 0.136E-02 0.256E-02
DAV: 5 -0.184731788092E+04 0.11612E-05 -0.30222E-05 1296 0.623E-03
68 T= 1484. E= -.17857406E+04 F= -.18473179E+04 E0= -.18473112E+04 EK= 0.61577E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184820732889E+04 -0.88945E+00 -0.58563E-04 2870 0.408E-01 0.593E-02
DAV: 2 -0.184820750988E+04 -0.18099E-03 -0.25363E-03 1928 0.493E-02 0.675E-02
DAV: 3 -0.184820747440E+04 0.35471E-04 -0.21589E-04 2016 0.202E-02 0.584E-02
DAV: 4 -0.184820745288E+04 0.21525E-04 -0.62099E-05 1744 0.906E-03 0.238E-02
DAV: 5 -0.184820744939E+04 0.34889E-05 -0.12465E-05 1056 0.459E-03
69 T= 1505. E= -.17857405E+04 F= -.18482074E+04 E0= -.18481995E+04 EK= 0.62467E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184909945348E+04 -0.89200E+00 -0.80820E-04 2870 0.410E-01 0.542E-02
DAV: 2 -0.184909966893E+04 -0.21545E-03 -0.30093E-03 1936 0.521E-02 0.582E-02
DAV: 3 -0.184909961768E+04 0.51247E-04 -0.18508E-04 2206 0.215E-02 0.424E-02
DAV: 4 -0.184909961097E+04 0.67129E-05 -0.53071E-05 1632 0.797E-03
70 T= 1527. E= -.17857405E+04 F= -.18490996E+04 E0= -.18490904E+04 EK= 0.63359E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184999483864E+04 -0.89522E+00 -0.78328E-04 2904 0.412E-01 0.823E-02
DAV: 2 -0.184999506345E+04 -0.22481E-03 -0.40124E-03 1936 0.681E-02 0.998E-02
DAV: 3 -0.184999500337E+04 0.60078E-04 -0.50835E-04 1968 0.292E-02 0.856E-02
DAV: 4 -0.184999495279E+04 0.50574E-04 -0.14865E-04 1920 0.151E-02 0.308E-02
DAV: 5 -0.184999494907E+04 0.37201E-05 -0.31484E-05 1352 0.667E-03
71 T= 1549. E= -.17857404E+04 F= -.18499949E+04 E0= -.18499850E+04 EK= 0.64255E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.185089398554E+04 -0.89903E+00 -0.68123E-04 2910 0.414E-01 0.927E-02
DAV: 2 -0.185089422225E+04 -0.23671E-03 -0.43859E-03 1912 0.725E-02 0.123E-01
DAV: 3 -0.185089417987E+04 0.42370E-04 -0.59004E-04 1958 0.318E-02 0.109E-01
DAV: 4 -0.185089409217E+04 0.87703E-04 -0.18787E-04 1944 0.180E-02 0.275E-02
DAV: 5 -0.185089409100E+04 0.11713E-05 -0.54506E-05 1656 0.829E-03
72 T= 1570. E= -.17857404E+04 F= -.18508941E+04 E0= -.18508836E+04 EK= 0.65154E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.185179757035E+04 -0.90348E+00 -0.57358E-04 2886 0.418E-01 0.822E-02
DAV: 2 -0.185179778691E+04 -0.21656E-03 -0.34582E-03 1920 0.621E-02 0.112E-01
DAV: 3 -0.185179773389E+04 0.53024E-04 -0.44726E-04 2008 0.300E-02 0.977E-02
DAV: 4 -0.185179766085E+04 0.73040E-04 -0.14869E-04 1928 0.162E-02 0.273E-02
DAV: 5 -0.185179765757E+04 0.32824E-05 -0.43373E-05 1600 0.791E-03
73 T= 1592. E= -.17857403E+04 F= -.18517977E+04 E0= -.18517865E+04 EK= 0.66057E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.185270606287E+04 -0.90840E+00 -0.63285E-04 2870 0.420E-01 0.627E-02
DAV: 2 -0.185270626346E+04 -0.20060E-03 -0.27322E-03 1928 0.524E-02 0.830E-02
DAV: 3 -0.185270622716E+04 0.36305E-04 -0.24821E-04 2022 0.223E-02 0.747E-02
DAV: 4 -0.185270618922E+04 0.37940E-04 -0.84165E-05 1840 0.113E-02 0.258E-02
DAV: 5 -0.185270618086E+04 0.83560E-05 -0.42916E-05 1616 0.840E-03
74 T= 1614. E= -.17857402E+04 F= -.18527062E+04 E0= -.18526944E+04 EK= 0.66966E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.185362012437E+04 -0.91394E+00 -0.77276E-04 2886 0.425E-01 0.426E-02
DAV: 2 -0.185362032609E+04 -0.20172E-03 -0.22254E-03 1944 0.433E-02 0.669E-02
DAV: 3 -0.185362028012E+04 0.45962E-04 -0.13026E-04 1992 0.175E-02 0.439E-02
DAV: 4 -0.185362027108E+04 0.90454E-05 -0.39662E-05 1536 0.729E-03
75 T= 1636. E= -.17857402E+04 F= -.18536203E+04 E0= -.18536075E+04 EK= 0.67880E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.185454038232E+04 -0.92010E+00 -0.79167E-04 2878 0.430E-01 0.104E-01
DAV: 2 -0.185454101616E+04 -0.63384E-03 -0.45256E-03 1968 0.710E-02 0.276E-01
DAV: 3 -0.185454049646E+04 0.51970E-03 -0.10292E-03 1992 0.367E-02 0.847E-02
DAV: 4 -0.185454046081E+04 0.35648E-04 -0.16521E-04 1960 0.193E-02 0.430E-02
DAV: 5 -0.185454044720E+04 0.13611E-04 -0.68686E-05 1744 0.104E-02 0.263E-02
DAV: 6 -0.185454042459E+04 0.22601E-04 -0.67051E-05 1864 0.141E-02 0.158E-02
DAV: 7 -0.185454041620E+04 0.83945E-05 -0.65618E-05 1960 0.154E-02
76 T= 1658. E= -.17857401E+04 F= -.18545404E+04 E0= -.18545272E+04 EK= 0.68800E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.185546712068E+04 -0.92670E+00 -0.88064E-04 2878 0.431E-01 0.857E-02
DAV: 2 -0.185546770234E+04 -0.58165E-03 -0.25955E-03 2064 0.528E-02 0.278E-01
DAV: 3 -0.185546719382E+04 0.50852E-03 -0.73252E-04 2040 0.302E-02 0.572E-02
DAV: 4 -0.185546718780E+04 0.60241E-05 -0.95160E-05 1920 0.138E-02
77 T= 1680. E= -.17857401E+04 F= -.18554672E+04 E0= -.18554534E+04 EK= 0.69727E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.185640100583E+04 -0.93381E+00 -0.54264E-04 2870 0.435E-01 0.716E-02
DAV: 2 -0.185640122466E+04 -0.21883E-03 -0.27587E-03 1952 0.582E-02 0.129E-01
DAV: 3 -0.185640109313E+04 0.13153E-03 -0.40079E-04 1950 0.240E-02 0.701E-02
DAV: 4 -0.185640105997E+04 0.33157E-04 -0.90264E-05 1856 0.129E-02 0.350E-02
DAV: 5 -0.185640104479E+04 0.15180E-04 -0.45108E-05 1608 0.969E-03 0.359E-02
DAV: 6 -0.185640100796E+04 0.36838E-04 -0.59205E-05 1856 0.133E-02 0.177E-02
DAV: 7 -0.185640099726E+04 0.10693E-04 -0.38663E-05 1504 0.982E-03 0.168E-02
DAV: 8 -0.185640098853E+04 0.87367E-05 -0.16693E-05 1280 0.976E-03
78 T= 1703. E= -.17857400E+04 F= -.18564010E+04 E0= -.18563867E+04 EK= 0.70661E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.185734240068E+04 -0.94140E+00 -0.60961E-04 2454 0.441E-01 0.579E-02
DAV: 2 -0.185734245263E+04 -0.51946E-04 -0.12940E-03 2120 0.418E-02 0.821E-02
DAV: 3 -0.185734239016E+04 0.62467E-04 -0.23846E-04 2038 0.217E-02 0.380E-02
DAV: 4 -0.185734236145E+04 0.28713E-04 -0.78567E-05 1840 0.137E-02 0.391E-02
DAV: 5 -0.185734234902E+04 0.12428E-04 -0.46951E-05 1638 0.104E-02 0.403E-02
DAV: 6 -0.185734231849E+04 0.30533E-04 -0.34849E-05 1440 0.138E-02 0.184E-02
DAV: 7 -0.185734231425E+04 0.42316E-05 -0.40817E-05 1616 0.829E-03
79 T= 1726. E= -.17857400E+04 F= -.18573423E+04 E0= -.18573274E+04 EK= 0.71602E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.185829145283E+04 -0.94913E+00 -0.43438E-04 2038 0.439E-01 0.404E-02
DAV: 2 -0.185829155466E+04 -0.10183E-03 -0.10356E-03 2016 0.286E-02 0.630E-02
DAV: 3 -0.185829152838E+04 0.26274E-04 -0.68005E-05 1798 0.110E-02 0.414E-02
DAV: 4 -0.185829152486E+04 0.35255E-05 -0.16865E-05 1152 0.597E-03
80 T= 1749. E= -.17857400E+04 F= -.18582915E+04 E0= -.18582761E+04 EK= 0.72552E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.185924890347E+04 -0.95738E+00 -0.67304E-04 2792 0.442E-01 0.111E-01
DAV: 2 -0.185924976074E+04 -0.85727E-03 -0.28906E-03 2040 0.665E-02 0.357E-01
DAV: 3 -0.185924894636E+04 0.81438E-03 -0.10579E-03 2040 0.400E-02 0.714E-02
DAV: 4 -0.185924894451E+04 0.18474E-05 -0.16637E-04 1976 0.167E-02 0.377E-02
DAV: 5 -0.185924893605E+04 0.84602E-05 -0.55468E-05 1736 0.933E-03
81 T= 1772. E= -.17857399E+04 F= -.18592489E+04 E0= -.18592332E+04 EK= 0.73509E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.186021486781E+04 -0.96592E+00 -0.74839E-04 2830 0.446E-01 0.166E-01
DAV: 2 -0.186021674860E+04 -0.18808E-02 -0.52291E-03 2160 0.857E-02 0.550E-01
DAV: 3 -0.186021484483E+04 0.19038E-02 -0.28034E-03 2152 0.578E-02 0.948E-02
DAV: 4 -0.186021485780E+04 -0.12966E-04 -0.30444E-04 1976 0.204E-02 0.420E-02
DAV: 5 -0.186021484791E+04 0.98902E-05 -0.91244E-05 1856 0.121E-02
82 T= 1795. E= -.17857399E+04 F= -.18602148E+04 E0= -.18601985E+04 EK= 0.74475E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.186118946845E+04 -0.97461E+00 -0.82255E-04 2894 0.450E-01 0.167E-01
DAV: 2 -0.186119119870E+04 -0.17302E-02 -0.41822E-03 1984 0.917E-02 0.503E-01
DAV: 3 -0.186118958459E+04 0.16141E-02 -0.17122E-03 2008 0.633E-02 0.139E-01
DAV: 4 -0.186118951056E+04 0.74026E-04 -0.37241E-04 1960 0.210E-02 0.563E-02
DAV: 5 -0.186118949995E+04 0.10610E-04 -0.75863E-05 1784 0.102E-02 0.420E-02
DAV: 6 -0.186118948982E+04 0.10137E-04 -0.36792E-05 1512 0.765E-03 0.200E-02
DAV: 7 -0.186118948665E+04 0.31713E-05 -0.13951E-05 1056 0.580E-03
83 T= 1818. E= -.17857399E+04 F= -.18611895E+04 E0= -.18611727E+04 EK= 0.75450E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.186217294301E+04 -0.98345E+00 -0.85895E-04 2854 0.453E-01 0.105E-01
DAV: 2 -0.186217363221E+04 -0.68920E-03 -0.26852E-03 2008 0.663E-02 0.256E-01
DAV: 3 -0.186217307502E+04 0.55719E-03 -0.63930E-04 2040 0.416E-02 0.928E-02
DAV: 4 -0.186217303716E+04 0.37861E-04 -0.16417E-04 1944 0.141E-02 0.359E-02
DAV: 5 -0.186217303006E+04 0.71058E-05 -0.40492E-05 1568 0.787E-03
84 T= 1842. E= -.17857399E+04 F= -.18621730E+04 E0= -.18621557E+04 EK= 0.76433E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.186316544678E+04 -0.99241E+00 -0.91754E-04 2878 0.457E-01 0.722E-02
DAV: 2 -0.186316590503E+04 -0.45825E-03 -0.30052E-03 1960 0.587E-02 0.171E-01
DAV: 3 -0.186316561297E+04 0.29206E-03 -0.48000E-04 1974 0.294E-02 0.672E-02
DAV: 4 -0.186316559110E+04 0.21870E-04 -0.10104E-04 1840 0.112E-02 0.345E-02
DAV: 5 -0.186316558960E+04 0.14958E-05 -0.10669E-05 1032 0.389E-03
85 T= 1866. E= -.17857399E+04 F= -.18631656E+04 E0= -.18631480E+04 EK= 0.77426E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.186416711569E+04 -0.10015E+01 -0.86686E-04 2870 0.459E-01 0.127E-01
DAV: 2 -0.186416759509E+04 -0.47940E-03 -0.52335E-03 1920 0.873E-02 0.213E-01
DAV: 3 -0.186416727292E+04 0.32217E-03 -0.13584E-03 1976 0.444E-02 0.135E-01
DAV: 4 -0.186416718695E+04 0.85971E-04 -0.28524E-04 1944 0.201E-02 0.459E-02
DAV: 5 -0.186416716619E+04 0.20758E-04 -0.75421E-05 1824 0.114E-02 0.247E-02
DAV: 6 -0.186416716235E+04 0.38437E-05 -0.34226E-05 1472 0.751E-03
86 T= 1890. E= -.17857399E+04 F= -.18641672E+04 E0= -.18641491E+04 EK= 0.78427E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.186517770284E+04 -0.10105E+01 -0.73044E-04 2710 0.461E-01 0.111E-01
DAV: 2 -0.186517795025E+04 -0.24741E-03 -0.38754E-03 1912 0.747E-02 0.162E-01
DAV: 3 -0.186517785356E+04 0.96689E-04 -0.95941E-04 1984 0.363E-02 0.142E-01
DAV: 4 -0.186517775141E+04 0.10215E-03 -0.24297E-04 1928 0.182E-02 0.377E-02
DAV: 5 -0.186517774343E+04 0.79722E-05 -0.53417E-05 1728 0.946E-03
87 T= 1915. E= -.17857398E+04 F= -.18651777E+04 E0= -.18651594E+04 EK= 0.79438E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.186619713491E+04 -0.10194E+01 -0.59539E-04 2366 0.464E-01 0.624E-02
DAV: 2 -0.186619733008E+04 -0.19517E-03 -0.24168E-03 1936 0.524E-02 0.872E-02
DAV: 3 -0.186619725366E+04 0.76416E-04 -0.21318E-04 2014 0.240E-02 0.501E-02
DAV: 4 -0.186619723471E+04 0.18954E-04 -0.76178E-05 1792 0.111E-02 0.262E-02
DAV: 5 -0.186619723235E+04 0.23553E-05 -0.20079E-05 1096 0.532E-03
88 T= 1939. E= -.17857398E+04 F= -.18661972E+04 E0= -.18661780E+04 EK= 0.80457E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.186722528926E+04 -0.10281E+01 -0.81356E-04 2798 0.469E-01 0.612E-02
DAV: 2 -0.186722558175E+04 -0.29249E-03 -0.28232E-03 1936 0.552E-02 0.103E-01
DAV: 3 -0.186722545681E+04 0.12494E-03 -0.25587E-04 1976 0.254E-02 0.543E-02
DAV: 4 -0.186722543955E+04 0.17261E-04 -0.82005E-05 1800 0.103E-02 0.298E-02
DAV: 5 -0.186722543726E+04 0.22879E-05 -0.10150E-05 1016 0.376E-03
89 T= 1964. E= -.17857398E+04 F= -.18672254E+04 E0= -.18672056E+04 EK= 0.81486E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.186826199315E+04 -0.10366E+01 -0.94047E-04 2838 0.472E-01 0.103E-01
DAV: 2 -0.186826233217E+04 -0.33902E-03 -0.44306E-03 1928 0.752E-02 0.163E-01
DAV: 3 -0.186826219878E+04 0.13339E-03 -0.11566E-03 1966 0.360E-02 0.133E-01
DAV: 4 -0.186826210369E+04 0.95086E-04 -0.23856E-04 1896 0.171E-02 0.364E-02
DAV: 5 -0.186826209739E+04 0.63055E-05 -0.48106E-05 1648 0.866E-03
90 T= 1989. E= -.17857399E+04 F= -.18682621E+04 E0= -.18682414E+04 EK= 0.82522E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.186930686789E+04 -0.10448E+01 -0.68259E-04 2622 0.475E-01 0.108E-01
DAV: 2 -0.186930704736E+04 -0.17947E-03 -0.46632E-03 1896 0.801E-02 0.100E-01
DAV: 3 -0.186930701213E+04 0.35235E-04 -0.67791E-04 2046 0.372E-02 0.116E-01
DAV: 4 -0.186930692744E+04 0.84686E-04 -0.24067E-04 1928 0.163E-02 0.329E-02
DAV: 5 -0.186930692287E+04 0.45729E-05 -0.61593E-05 1696 0.871E-03
91 T= 2014. E= -.17857399E+04 F= -.18693069E+04 E0= -.18692857E+04 EK= 0.83567E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.187035942748E+04 -0.10525E+01 -0.71252E-04 2806 0.478E-01 0.840E-02
DAV: 2 -0.187035961612E+04 -0.18865E-03 -0.35459E-03 1920 0.664E-02 0.767E-02
DAV: 3 -0.187035956301E+04 0.53117E-04 -0.43875E-04 1936 0.268E-02 0.737E-02
DAV: 4 -0.187035953091E+04 0.32092E-04 -0.12538E-04 1840 0.124E-02 0.299E-02
DAV: 5 -0.187035952566E+04 0.52544E-05 -0.30208E-05 1120 0.626E-03
92 T= 2039. E= -.17857398E+04 F= -.18703595E+04 E0= -.18703377E+04 EK= 0.84620E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.187141935179E+04 -0.10598E+01 -0.55881E-04 2454 0.481E-01 0.814E-02
DAV: 2 -0.187141953084E+04 -0.17905E-03 -0.32109E-03 1928 0.613E-02 0.693E-02
DAV: 3 -0.187141948594E+04 0.44905E-04 -0.30048E-04 1944 0.252E-02 0.614E-02
DAV: 4 -0.187141945918E+04 0.26764E-04 -0.10002E-04 1824 0.126E-02 0.278E-02
DAV: 5 -0.187141945605E+04 0.31213E-05 -0.31456E-05 1208 0.589E-03
93 T= 2065. E= -.17857399E+04 F= -.18714195E+04 E0= -.18713970E+04 EK= 0.85680E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.187248610325E+04 -0.10666E+01 -0.76294E-04 2782 0.484E-01 0.781E-02
DAV: 2 -0.187248625865E+04 -0.15540E-03 -0.30254E-03 1928 0.588E-02 0.722E-02
DAV: 3 -0.187248622828E+04 0.30373E-04 -0.40537E-04 1968 0.239E-02 0.687E-02
DAV: 4 -0.187248619900E+04 0.29276E-04 -0.17557E-04 1888 0.124E-02 0.321E-02
DAV: 5 -0.187248619542E+04 0.35857E-05 -0.28844E-05 1216 0.660E-03
94 T= 2091. E= -.17857399E+04 F= -.18724862E+04 E0= -.18724635E+04 EK= 0.86746E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.187355902618E+04 -0.10728E+01 -0.83153E-04 2822 0.488E-01 0.769E-02
DAV: 2 -0.187355937664E+04 -0.35046E-03 -0.34081E-03 1936 0.566E-02 0.177E-01
DAV: 3 -0.187355920339E+04 0.17325E-03 -0.10099E-03 1976 0.267E-02 0.870E-02
DAV: 4 -0.187355915545E+04 0.47937E-04 -0.16038E-04 1832 0.146E-02 0.279E-02
DAV: 5 -0.187355915354E+04 0.19158E-05 -0.34474E-05 1440 0.659E-03
95 T= 2116. E= -.17857400E+04 F= -.18735592E+04 E0= -.18735361E+04 EK= 0.87819E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.187463758308E+04 -0.10784E+01 -0.72257E-04 2582 0.491E-01 0.783E-02
DAV: 2 -0.187463791017E+04 -0.32709E-03 -0.32066E-03 1920 0.564E-02 0.183E-01
DAV: 3 -0.187463773674E+04 0.17343E-03 -0.11062E-03 1948 0.273E-02 0.938E-02
DAV: 4 -0.187463768493E+04 0.51807E-04 -0.17096E-04 1832 0.145E-02 0.315E-02
DAV: 5 -0.187463768307E+04 0.18664E-05 -0.34599E-05 1416 0.663E-03
96 T= 2142. E= -.17857400E+04 F= -.18746377E+04 E0= -.18746145E+04 EK= 0.88898E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.187572099106E+04 -0.10833E+01 -0.63417E-04 2756 0.494E-01 0.765E-02
DAV: 2 -0.187572118665E+04 -0.19558E-03 -0.34572E-03 1920 0.610E-02 0.814E-02
DAV: 3 -0.187572114751E+04 0.39140E-04 -0.52043E-04 1976 0.250E-02 0.775E-02
DAV: 4 -0.187572111000E+04 0.37502E-04 -0.18236E-04 1896 0.124E-02 0.275E-02
DAV: 5 -0.187572110752E+04 0.24873E-05 -0.22656E-05 1120 0.589E-03
97 T= 2169. E= -.17857400E+04 F= -.18757211E+04 E0= -.18756975E+04 EK= 0.89981E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.187680859121E+04 -0.10875E+01 -0.71774E-04 2764 0.497E-01 0.792E-02
DAV: 2 -0.187680874711E+04 -0.15590E-03 -0.34676E-03 1920 0.634E-02 0.592E-02
DAV: 3 -0.187680869919E+04 0.47924E-04 -0.33155E-04 1984 0.250E-02 0.400E-02
DAV: 4 -0.187680868775E+04 0.11435E-04 -0.89294E-05 1688 0.102E-02 0.213E-02
DAV: 5 -0.187680868559E+04 0.21597E-05 -0.17297E-05 1032 0.427E-03
98 T= 2195. E= -.17857400E+04 F= -.18768087E+04 E0= -.18767849E+04 EK= 0.91069E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.187789951276E+04 -0.10908E+01 -0.52958E-04 2564 0.501E-01 0.734E-02
DAV: 2 -0.187789970433E+04 -0.19157E-03 -0.33483E-03 1912 0.605E-02 0.802E-02
DAV: 3 -0.187789967707E+04 0.27258E-04 -0.47330E-04 2088 0.255E-02 0.923E-02
DAV: 4 -0.187789962576E+04 0.51316E-04 -0.16663E-04 1824 0.122E-02 0.276E-02
DAV: 5 -0.187789962449E+04 0.12670E-05 -0.22767E-05 1104 0.545E-03
99 T= 2221. E= -.17857401E+04 F= -.18778996E+04 E0= -.18778755E+04 EK= 0.92160E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.187899296355E+04 -0.10933E+01 -0.82969E-04 2764 0.504E-01 0.732E-02
DAV: 2 -0.187899316036E+04 -0.19681E-03 -0.36450E-03 1912 0.621E-02 0.661E-02
DAV: 3 -0.187899313097E+04 0.29384E-04 -0.40635E-04 2088 0.254E-02 0.743E-02
DAV: 4 -0.187899309716E+04 0.33813E-04 -0.16063E-04 1832 0.117E-02 0.261E-02
DAV: 5 -0.187899309481E+04 0.23471E-05 -0.22027E-05 1096 0.546E-03
100 T= 2247. E= -.17857401E+04 F= -.18789931E+04 E0= -.18789690E+04 EK= 0.93253E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.188008811597E+04 -0.10950E+01 -0.79677E-04 2780 0.507E-01 0.829E-02
DAV: 2 -0.188008837218E+04 -0.25622E-03 -0.42752E-03 1912 0.674E-02 0.132E-01
DAV: 3 -0.188008831791E+04 0.54270E-04 -0.13217E-03 1974 0.295E-02 0.119E-01
DAV: 4 -0.188008823073E+04 0.87179E-04 -0.33727E-04 1896 0.163E-02 0.282E-02
DAV: 5 -0.188008823074E+04 -0.87748E-08 -0.42829E-05 1536 0.720E-03
101 T= 2274. E= -.17857402E+04 F= -.18800882E+04 E0= -.18800643E+04 EK= 0.94348E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.188118403156E+04 -0.10958E+01 -0.61773E-04 2752 0.511E-01 0.832E-02
DAV: 2 -0.188118425660E+04 -0.22505E-03 -0.40638E-03 1912 0.648E-02 0.125E-01
DAV: 3 -0.188118420038E+04 0.56219E-04 -0.13830E-03 1958 0.281E-02 0.110E-01
DAV: 4 -0.188118413272E+04 0.67660E-04 -0.31520E-04 1864 0.149E-02 0.294E-02
DAV: 5 -0.188118413047E+04 0.22495E-05 -0.31158E-05 1304 0.665E-03
102 T= 2300. E= -.17857402E+04 F= -.18811841E+04 E0= -.18811602E+04 EK= 0.95444E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.188227977169E+04 -0.10956E+01 -0.78090E-04 2694 0.514E-01 0.825E-02
DAV: 2 -0.188227994854E+04 -0.17685E-03 -0.39957E-03 1904 0.654E-02 0.709E-02
DAV: 3 -0.188227991811E+04 0.30425E-04 -0.76765E-04 1974 0.269E-02 0.781E-02
DAV: 4 -0.188227988332E+04 0.34796E-04 -0.23037E-04 1864 0.118E-02 0.260E-02
DAV: 5 -0.188227987999E+04 0.33330E-05 -0.29910E-05 1096 0.547E-03
103 T= 2327. E= -.17857402E+04 F= -.18822799E+04 E0= -.18822561E+04 EK= 0.96540E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.188337443575E+04 -0.10946E+01 -0.66728E-04 2782 0.517E-01 0.801E-02
DAV: 2 -0.188337462669E+04 -0.19094E-03 -0.36790E-03 1912 0.647E-02 0.857E-02
DAV: 3 -0.188337460553E+04 0.21163E-04 -0.66104E-04 1984 0.289E-02 0.975E-02
DAV: 4 -0.188337454257E+04 0.62958E-04 -0.24709E-04 1888 0.139E-02 0.279E-02
DAV: 5 -0.188337454069E+04 0.18812E-05 -0.36301E-05 1344 0.668E-03
104 T= 2353. E= -.17857403E+04 F= -.18833745E+04 E0= -.18833508E+04 EK= 0.97634E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.188446703534E+04 -0.10925E+01 -0.70207E-04 2758 0.520E-01 0.774E-02
DAV: 2 -0.188446720810E+04 -0.17275E-03 -0.35889E-03 1928 0.625E-02 0.578E-02
DAV: 3 -0.188446717035E+04 0.37748E-04 -0.42005E-04 2136 0.247E-02 0.545E-02
DAV: 4 -0.188446715657E+04 0.13782E-04 -0.11200E-04 1704 0.910E-03 0.215E-02
DAV: 5 -0.188446715340E+04 0.31656E-05 -0.20288E-05 1056 0.494E-03
105 T= 2379. E= -.17857404E+04 F= -.18844672E+04 E0= -.18844436E+04 EK= 0.98727E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.188555665632E+04 -0.10895E+01 -0.69879E-04 2798 0.523E-01 0.728E-02
DAV: 2 -0.188555684457E+04 -0.18824E-03 -0.32600E-03 1920 0.600E-02 0.732E-02
DAV: 3 -0.188555682285E+04 0.21715E-04 -0.43121E-04 1966 0.259E-02 0.809E-02
DAV: 4 -0.188555677483E+04 0.48017E-04 -0.19575E-04 1832 0.134E-02 0.272E-02
DAV: 5 -0.188555677315E+04 0.16849E-05 -0.31789E-05 1264 0.593E-03
106 T= 2406. E= -.17857404E+04 F= -.18855568E+04 E0= -.18855333E+04 EK= 0.99816E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.188664231961E+04 -0.10855E+01 -0.46614E-04 2598 0.526E-01 0.721E-02
DAV: 2 -0.188664253549E+04 -0.21588E-03 -0.35508E-03 1936 0.592E-02 0.113E-01
DAV: 3 -0.188664249087E+04 0.44618E-04 -0.10151E-03 1984 0.242E-02 0.100E-01
DAV: 4 -0.188664242692E+04 0.63955E-04 -0.28312E-04 1856 0.146E-02 0.249E-02
DAV: 5 -0.188664242615E+04 0.76268E-06 -0.38763E-05 1464 0.704E-03
107 T= 2432. E= -.17857405E+04 F= -.18866424E+04 E0= -.18866193E+04 EK= 0.10090E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.188772303790E+04 -0.10806E+01 -0.62624E-04 2662 0.530E-01 0.707E-02
DAV: 2 -0.188772329577E+04 -0.25788E-03 -0.34456E-03 1928 0.569E-02 0.139E-01
DAV: 3 -0.188772319313E+04 0.10264E-03 -0.10434E-03 1976 0.238E-02 0.858E-02
DAV: 4 -0.188772315137E+04 0.41758E-04 -0.22965E-04 1864 0.137E-02 0.292E-02
DAV: 5 -0.188772314886E+04 0.25144E-05 -0.23918E-05 1184 0.598E-03
108 T= 2458. E= -.17857405E+04 F= -.18877231E+04 E0= -.18877003E+04 EK= 0.10198E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.188879787034E+04 -0.10747E+01 -0.65275E-04 2854 0.533E-01 0.830E-02
DAV: 2 -0.188879812306E+04 -0.25273E-03 -0.43446E-03 1920 0.654E-02 0.118E-01
DAV: 3 -0.188879807181E+04 0.51256E-04 -0.12638E-03 1968 0.268E-02 0.113E-01
DAV: 4 -0.188879800101E+04 0.70798E-04 -0.33312E-04 1912 0.148E-02 0.281E-02
DAV: 5 -0.188879800007E+04 0.93563E-06 -0.34464E-05 1384 0.673E-03
109 T= 2484. E= -.17857406E+04 F= -.18887980E+04 E0= -.18887754E+04 EK= 0.10306E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.188986595051E+04 -0.10679E+01 -0.77386E-04 2862 0.537E-01 0.945E-02
DAV: 2 -0.188986621224E+04 -0.26173E-03 -0.43763E-03 1936 0.740E-02 0.116E-01
DAV: 3 -0.188986610848E+04 0.10376E-03 -0.76109E-04 1988 0.365E-02 0.838E-02
DAV: 4 -0.188986604393E+04 0.64551E-04 -0.25558E-04 1904 0.172E-02 0.379E-02
DAV: 5 -0.188986603895E+04 0.49783E-05 -0.72988E-05 1648 0.771E-03
110 T= 2509. E= -.17857406E+04 F= -.18898660E+04 E0= -.18898439E+04 EK= 0.10413E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189092627064E+04 -0.10602E+01 -0.42269E-04 2680 0.538E-01 0.940E-02
DAV: 2 -0.189092642882E+04 -0.15818E-03 -0.40265E-03 1944 0.707E-02 0.855E-02
DAV: 3 -0.189092638449E+04 0.44335E-04 -0.69269E-04 2032 0.326E-02 0.735E-02
DAV: 4 -0.189092633190E+04 0.52588E-04 -0.18678E-04 1880 0.157E-02 0.320E-02
DAV: 5 -0.189092632914E+04 0.27570E-05 -0.56743E-05 1544 0.686E-03
111 T= 2535. E= -.17857407E+04 F= -.18909263E+04 E0= -.18909043E+04 EK= 0.10519E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189197791609E+04 -0.10516E+01 -0.67107E-04 2654 0.543E-01 0.898E-02
DAV: 2 -0.189197811135E+04 -0.19526E-03 -0.38433E-03 1968 0.642E-02 0.125E-01
DAV: 3 -0.189197805495E+04 0.56396E-04 -0.13400E-03 1990 0.281E-02 0.111E-01
DAV: 4 -0.189197798907E+04 0.65880E-04 -0.38061E-04 1880 0.145E-02 0.308E-02
DAV: 5 -0.189197798518E+04 0.38938E-05 -0.44217E-05 1416 0.765E-03
112 T= 2560. E= -.17857408E+04 F= -.18919780E+04 E0= -.18919564E+04 EK= 0.10624E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189302008104E+04 -0.10421E+01 -0.40923E-04 2638 0.544E-01 0.826E-02
DAV: 2 -0.189302021777E+04 -0.13673E-03 -0.33322E-03 1952 0.605E-02 0.835E-02
DAV: 3 -0.189302020596E+04 0.11812E-04 -0.96639E-04 1960 0.256E-02 0.102E-01
DAV: 4 -0.189302015012E+04 0.55832E-04 -0.28758E-04 1888 0.123E-02 0.248E-02
DAV: 5 -0.189302014703E+04 0.30949E-05 -0.39190E-05 1272 0.668E-03
113 T= 2585. E= -.17857408E+04 F= -.18930201E+04 E0= -.18929987E+04 EK= 0.10728E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189405183844E+04 -0.10317E+01 -0.49358E-04 2790 0.549E-01 0.645E-02
DAV: 2 -0.189405207814E+04 -0.23970E-03 -0.31176E-03 1936 0.580E-02 0.882E-02
DAV: 3 -0.189405200611E+04 0.72028E-04 -0.40481E-04 2016 0.263E-02 0.551E-02
DAV: 4 -0.189405197743E+04 0.28674E-04 -0.10752E-04 1816 0.122E-02 0.238E-02
DAV: 5 -0.189405197563E+04 0.18041E-05 -0.23071E-05 1112 0.530E-03
114 T= 2610. E= -.17857409E+04 F= -.18940520E+04 E0= -.18940310E+04 EK= 0.10831E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189507257351E+04 -0.10206E+01 -0.60574E-04 2774 0.551E-01 0.674E-02
DAV: 2 -0.189507289521E+04 -0.32170E-03 -0.40744E-03 1936 0.597E-02 0.152E-01
DAV: 3 -0.189507277633E+04 0.11889E-03 -0.11887E-03 1950 0.241E-02 0.844E-02
DAV: 4 -0.189507273383E+04 0.42496E-04 -0.20957E-04 1792 0.142E-02 0.306E-02
DAV: 5 -0.189507273119E+04 0.26372E-05 -0.26845E-05 1190 0.601E-03
115 T= 2635. E= -.17857409E+04 F= -.18950727E+04 E0= -.18950522E+04 EK= 0.10933E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189608153061E+04 -0.10088E+01 -0.85466E-04 2846 0.554E-01 0.842E-02
DAV: 2 -0.189608195601E+04 -0.42540E-03 -0.57429E-03 1936 0.717E-02 0.172E-01
DAV: 3 -0.189608178725E+04 0.16876E-03 -0.18912E-03 1976 0.313E-02 0.109E-01
DAV: 4 -0.189608171513E+04 0.72117E-04 -0.33370E-04 1896 0.170E-02 0.356E-02
DAV: 5 -0.189608171160E+04 0.35298E-05 -0.45503E-05 1560 0.780E-03
116 T= 2659. E= -.17857410E+04 F= -.18960817E+04 E0= -.18960615E+04 EK= 0.11034E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189707813263E+04 -0.99642E+00 -0.97972E-04 2878 0.555E-01 0.107E-01
DAV: 2 -0.189707852506E+04 -0.39244E-03 -0.69072E-03 1928 0.841E-02 0.169E-01
DAV: 3 -0.189707842067E+04 0.10439E-03 -0.26141E-03 1968 0.362E-02 0.151E-01
DAV: 4 -0.189707829293E+04 0.12774E-03 -0.60857E-04 1896 0.196E-02 0.358E-02
DAV: 5 -0.189707829132E+04 0.16068E-05 -0.66917E-05 1688 0.884E-03
117 T= 2683. E= -.17857410E+04 F= -.18970783E+04 E0= -.18970584E+04 EK= 0.11134E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189806184884E+04 -0.98356E+00 -0.98460E-04 2918 0.559E-01 0.110E-01
DAV: 2 -0.189806214603E+04 -0.29720E-03 -0.62938E-03 1920 0.832E-02 0.144E-01
DAV: 3 -0.189806212383E+04 0.22205E-04 -0.23834E-03 1984 0.356E-02 0.160E-01
DAV: 4 -0.189806197945E+04 0.14438E-03 -0.62707E-04 1896 0.188E-02 0.327E-02
DAV: 5 -0.189806198165E+04 -0.21945E-05 -0.65365E-05 1744 0.889E-03
118 T= 2707. E= -.17857410E+04 F= -.18980620E+04 E0= -.18980422E+04 EK= 0.11232E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189903229691E+04 -0.97032E+00 -0.55372E-04 2830 0.560E-01 0.964E-02
DAV: 2 -0.189903252148E+04 -0.22458E-03 -0.49009E-03 1920 0.741E-02 0.115E-01
DAV: 3 -0.189903253169E+04 -0.10203E-04 -0.16085E-03 2008 0.303E-02 0.142E-01
DAV: 4 -0.189903241545E+04 0.11623E-03 -0.49623E-04 1920 0.162E-02 0.277E-02
DAV: 5 -0.189903241669E+04 -0.12392E-05 -0.54382E-05 1672 0.802E-03
119 T= 2730. E= -.17857411E+04 F= -.18990324E+04 E0= -.18990131E+04 EK= 0.11329E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189998925224E+04 -0.95684E+00 -0.59686E-04 2846 0.563E-01 0.736E-02
DAV: 2 -0.189998946634E+04 -0.21410E-03 -0.35928E-03 1920 0.607E-02 0.698E-02
DAV: 3 -0.189998944867E+04 0.17670E-04 -0.55677E-04 2048 0.241E-02 0.833E-02
DAV: 4 -0.189998940543E+04 0.43246E-04 -0.19979E-04 1824 0.112E-02 0.243E-02
DAV: 5 -0.189998940365E+04 0.17751E-05 -0.20026E-05 1152 0.565E-03
120 T= 2753. E= -.17857411E+04 F= -.18999894E+04 E0= -.18999703E+04 EK= 0.11425E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190093280763E+04 -0.94340E+00 -0.59419E-04 2814 0.565E-01 0.646E-02
DAV: 2 -0.190093303224E+04 -0.22460E-03 -0.34646E-03 1912 0.581E-02 0.573E-02
DAV: 3 -0.190093298161E+04 0.50630E-04 -0.26946E-04 2102 0.220E-02 0.383E-02
DAV: 4 -0.190093297612E+04 0.54863E-05 -0.68205E-05 1624 0.810E-03
121 T= 2776. E= -.17857411E+04 F= -.19009330E+04 E0= -.19009141E+04 EK= 0.11519E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190186333913E+04 -0.93036E+00 -0.70357E-04 2790 0.567E-01 0.102E-01
DAV: 2 -0.190186382565E+04 -0.48651E-03 -0.62834E-03 1928 0.737E-02 0.266E-01
DAV: 3 -0.190186347337E+04 0.35228E-03 -0.29458E-03 1976 0.339E-02 0.987E-02
DAV: 4 -0.190186342879E+04 0.44576E-04 -0.36434E-04 1952 0.194E-02 0.294E-02
DAV: 5 -0.190186342443E+04 0.43592E-05 -0.75658E-05 1688 0.896E-03
122 T= 2799. E= -.17857411E+04 F= -.19018634E+04 E0= -.19018448E+04 EK= 0.11612E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190278122605E+04 -0.91780E+00 -0.92849E-04 2894 0.568E-01 0.120E-01
DAV: 2 -0.190278201026E+04 -0.78421E-03 -0.76173E-03 1960 0.759E-02 0.350E-01
DAV: 3 -0.190278132512E+04 0.68514E-03 -0.43023E-03 2000 0.387E-02 0.100E-01
DAV: 4 -0.190278131456E+04 0.10563E-04 -0.45196E-04 1960 0.206E-02 0.367E-02
DAV: 5 -0.190278130428E+04 0.10271E-04 -0.75770E-05 1824 0.978E-03 0.181E-02
DAV: 6 -0.190278130106E+04 0.32273E-05 -0.19870E-05 1040 0.497E-03
123 T= 2821. E= -.17857410E+04 F= -.19027813E+04 E0= -.19027629E+04 EK= 0.11704E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190368740301E+04 -0.90610E+00 -0.61500E-04 2758 0.571E-01 0.953E-02
DAV: 2 -0.190368809281E+04 -0.68980E-03 -0.52469E-03 1976 0.641E-02 0.310E-01
DAV: 3 -0.190368752522E+04 0.56758E-03 -0.26553E-03 2016 0.331E-02 0.852E-02
DAV: 4 -0.190368752983E+04 -0.46065E-05 -0.27810E-04 1864 0.167E-02 0.372E-02
DAV: 5 -0.190368752030E+04 0.95317E-05 -0.52706E-05 1584 0.827E-03
124 T= 2843. E= -.17857410E+04 F= -.19036875E+04 E0= -.19036693E+04 EK= 0.11795E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190458315652E+04 -0.89563E+00 -0.93863E-04 2846 0.572E-01 0.767E-02
DAV: 2 -0.190458345613E+04 -0.29961E-03 -0.41350E-03 1952 0.622E-02 0.130E-01
DAV: 3 -0.190458338247E+04 0.73661E-04 -0.11033E-03 2006 0.247E-02 0.109E-01
DAV: 4 -0.190458331317E+04 0.69295E-04 -0.30997E-04 1880 0.146E-02 0.305E-02
DAV: 5 -0.190458330975E+04 0.34164E-05 -0.41664E-05 1470 0.758E-03
125 T= 2864. E= -.17857409E+04 F= -.19045833E+04 E0= -.19045650E+04 EK= 0.11884E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190547010809E+04 -0.88679E+00 -0.14059E-03 2878 0.575E-01 0.905E-02
DAV: 2 -0.190547065616E+04 -0.54807E-03 -0.72534E-03 1936 0.780E-02 0.171E-01
DAV: 3 -0.190547033671E+04 0.31946E-03 -0.25219E-03 2008 0.406E-02 0.919E-02
DAV: 4 -0.190547028758E+04 0.49124E-04 -0.37433E-04 1896 0.164E-02 0.469E-02
DAV: 5 -0.190547027635E+04 0.11228E-04 -0.71027E-05 1608 0.818E-03 0.270E-02
DAV: 6 -0.190547026941E+04 0.69441E-05 -0.23062E-05 1040 0.638E-03
126 T= 2886. E= -.17857407E+04 F= -.19054703E+04 E0= -.19054522E+04 EK= 0.11973E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190635026289E+04 -0.87999E+00 -0.10892E-03 2910 0.576E-01 0.903E-02
DAV: 2 -0.190635085710E+04 -0.59421E-03 -0.73894E-03 1928 0.814E-02 0.170E-01
DAV: 3 -0.190635051013E+04 0.34697E-03 -0.24081E-03 2024 0.422E-02 0.845E-02
DAV: 4 -0.190635046783E+04 0.42299E-04 -0.34433E-04 1888 0.168E-02 0.474E-02
DAV: 5 -0.190635045735E+04 0.10483E-04 -0.66506E-05 1600 0.788E-03 0.281E-02
DAV: 6 -0.190635044586E+04 0.11489E-04 -0.33476E-05 1352 0.776E-03 0.194E-02
DAV: 7 -0.190635043738E+04 0.84802E-05 -0.42990E-05 1560 0.826E-03
127 T= 2907. E= -.17857406E+04 F= -.19063504E+04 E0= -.19063325E+04 EK= 0.12061E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190722596620E+04 -0.87552E+00 -0.11441E-03 2910 0.577E-01 0.502E-02
DAV: 2 -0.190722629019E+04 -0.32398E-03 -0.36132E-03 1944 0.543E-02 0.984E-02
DAV: 3 -0.190722620357E+04 0.86614E-04 -0.64457E-04 1966 0.218E-02 0.620E-02
DAV: 4 -0.190722618207E+04 0.21502E-04 -0.12746E-04 1752 0.104E-02 0.322E-02
DAV: 5 -0.190722617790E+04 0.41735E-05 -0.21615E-05 1072 0.517E-03
128 T= 2928. E= -.17857404E+04 F= -.19072262E+04 E0= -.19072082E+04 EK= 0.12149E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190809987825E+04 -0.87370E+00 -0.11870E-03 2888 0.579E-01 0.552E-02
DAV: 2 -0.190810021630E+04 -0.33805E-03 -0.41263E-03 1936 0.582E-02 0.995E-02
DAV: 3 -0.190810013276E+04 0.83537E-04 -0.55037E-04 1992 0.213E-02 0.699E-02
DAV: 4 -0.190810010806E+04 0.24702E-04 -0.12868E-04 1776 0.103E-02 0.349E-02
DAV: 5 -0.190810010393E+04 0.41311E-05 -0.16143E-05 1032 0.449E-03
129 T= 2949. E= -.17857403E+04 F= -.19081001E+04 E0= -.19080821E+04 EK= 0.12236E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190897478575E+04 -0.87468E+00 -0.13721E-03 2870 0.582E-01 0.976E-02
DAV: 2 -0.190897528486E+04 -0.49911E-03 -0.75451E-03 1904 0.849E-02 0.147E-01
DAV: 3 -0.190897518395E+04 0.10091E-03 -0.19571E-03 1990 0.343E-02 0.146E-01
DAV: 4 -0.190897506345E+04 0.12050E-03 -0.54075E-04 1920 0.186E-02 0.423E-02
DAV: 5 -0.190897506079E+04 0.26590E-05 -0.66545E-05 1656 0.835E-03
130 T= 2970. E= -.17857401E+04 F= -.19089751E+04 E0= -.19089571E+04 EK= 0.12323E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190985374456E+04 -0.87868E+00 -0.16287E-03 2942 0.583E-01 0.130E-01
DAV: 2 -0.190985412909E+04 -0.38453E-03 -0.87144E-03 1912 0.102E-01 0.134E-01
DAV: 3 -0.190985411895E+04 0.10138E-04 -0.17127E-03 2056 0.405E-02 0.177E-01
DAV: 4 -0.190985394090E+04 0.17805E-03 -0.74007E-04 1960 0.206E-02 0.477E-02
DAV: 5 -0.190985393951E+04 0.13876E-05 -0.11108E-04 1808 0.105E-02 0.249E-02
DAV: 6 -0.190985393279E+04 0.67279E-05 -0.36971E-05 1304 0.701E-03
131 T= 2991. E= -.17857399E+04 F= -.19098539E+04 E0= -.19098359E+04 EK= 0.12411E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191073937138E+04 -0.88543E+00 -0.12484E-03 2956 0.584E-01 0.107E-01
DAV: 2 -0.191073968308E+04 -0.31170E-03 -0.61490E-03 1904 0.853E-02 0.115E-01
DAV: 3 -0.191073963368E+04 0.49396E-04 -0.11825E-03 2104 0.374E-02 0.120E-01
DAV: 4 -0.191073952804E+04 0.10564E-03 -0.42766E-04 1952 0.184E-02 0.477E-02
DAV: 5 -0.191073952175E+04 0.62943E-05 -0.10764E-04 1776 0.917E-03 0.200E-02
DAV: 6 -0.191073951611E+04 0.56356E-05 -0.20018E-05 1016 0.565E-03
132 T= 3013. E= -.17857398E+04 F= -.19107395E+04 E0= -.19107214E+04 EK= 0.12500E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191163412231E+04 -0.89460E+00 -0.10326E-03 2718 0.585E-01 0.693E-02
DAV: 2 -0.191163435822E+04 -0.23591E-03 -0.36199E-03 1920 0.599E-02 0.748E-02
DAV: 3 -0.191163430669E+04 0.51535E-04 -0.55166E-04 2110 0.250E-02 0.551E-02
DAV: 4 -0.191163427097E+04 0.35722E-04 -0.14317E-04 1888 0.130E-02 0.228E-02
DAV: 5 -0.191163426916E+04 0.18071E-05 -0.47096E-05 1558 0.744E-03
133 T= 3034. E= -.17857397E+04 F= -.19116343E+04 E0= -.19116159E+04 EK= 0.12589E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191253998562E+04 -0.90571E+00 -0.99832E-04 2822 0.587E-01 0.550E-02
DAV: 2 -0.191254028724E+04 -0.30162E-03 -0.31576E-03 1928 0.494E-02 0.144E-01
DAV: 3 -0.191254017612E+04 0.11112E-03 -0.75919E-04 1976 0.193E-02 0.726E-02
DAV: 4 -0.191254014821E+04 0.27910E-04 -0.12562E-04 1784 0.114E-02 0.254E-02
DAV: 5 -0.191254014436E+04 0.38440E-05 -0.29681E-05 1144 0.611E-03
134 T= 3056. E= -.17857396E+04 F= -.19125401E+04 E0= -.19125219E+04 EK= 0.12680E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191345830833E+04 -0.91816E+00 -0.12602E-03 2758 0.589E-01 0.693E-02
DAV: 2 -0.191345877134E+04 -0.46301E-03 -0.41060E-03 1976 0.587E-02 0.195E-01
DAV: 3 -0.191345851182E+04 0.25952E-03 -0.15402E-03 1968 0.278E-02 0.944E-02
DAV: 4 -0.191345846879E+04 0.43030E-04 -0.15915E-04 1832 0.134E-02 0.357E-02
DAV: 5 -0.191345846304E+04 0.57503E-05 -0.27564E-05 1288 0.675E-03
135 T= 3078. E= -.17857395E+04 F= -.19134585E+04 E0= -.19134400E+04 EK= 0.12772E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191438963173E+04 -0.93116E+00 -0.10551E-03 2814 0.592E-01 0.971E-02
DAV: 2 -0.191439003206E+04 -0.40033E-03 -0.59237E-03 1944 0.781E-02 0.133E-01
DAV: 3 -0.191438986893E+04 0.16313E-03 -0.15645E-03 1982 0.349E-02 0.121E-01
DAV: 4 -0.191438979243E+04 0.76493E-04 -0.37657E-04 1880 0.157E-02 0.462E-02
DAV: 5 -0.191438977893E+04 0.13505E-04 -0.71008E-05 1632 0.903E-03 0.259E-02
DAV: 6 -0.191438976760E+04 0.11325E-04 -0.32893E-05 1480 0.827E-03 0.132E-02
DAV: 7 -0.191438976335E+04 0.42533E-05 -0.18651E-05 1192 0.639E-03
136 T= 3101. E= -.17857395E+04 F= -.19143898E+04 E0= -.19143713E+04 EK= 0.12865E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191533362054E+04 -0.94385E+00 -0.15696E-03 2942 0.594E-01 0.682E-02
DAV: 2 -0.191533396666E+04 -0.34612E-03 -0.44920E-03 1944 0.617E-02 0.895E-02
DAV: 3 -0.191533387070E+04 0.95960E-04 -0.82919E-04 1960 0.248E-02 0.696E-02
DAV: 4 -0.191533384260E+04 0.28094E-04 -0.18615E-04 1848 0.115E-02 0.372E-02
DAV: 5 -0.191533383484E+04 0.77629E-05 -0.35458E-05 1152 0.600E-03
137 T= 3123. E= -.17857396E+04 F= -.19153338E+04 E0= -.19153153E+04 EK= 0.12959E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191628944836E+04 -0.95561E+00 -0.11391E-03 2854 0.598E-01 0.664E-02
DAV: 2 -0.191628981768E+04 -0.36932E-03 -0.41771E-03 1968 0.605E-02 0.141E-01
DAV: 3 -0.191628963477E+04 0.18291E-03 -0.10799E-03 1982 0.276E-02 0.814E-02
DAV: 4 -0.191628960190E+04 0.32873E-04 -0.17448E-04 1816 0.126E-02 0.406E-02
DAV: 5 -0.191628959186E+04 0.10039E-04 -0.50636E-05 1214 0.677E-03 0.243E-02
DAV: 6 -0.191628958116E+04 0.10695E-04 -0.28650E-05 1248 0.697E-03 0.181E-02
DAV: 7 -0.191628956779E+04 0.13374E-04 -0.56763E-05 1718 0.975E-03 0.887E-03
DAV: 8 -0.191628956319E+04 0.46007E-05 -0.20888E-05 1208 0.647E-03
138 T= 3146. E= -.17857397E+04 F= -.19162896E+04 E0= -.19162709E+04 EK= 0.13055E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191725510417E+04 -0.96554E+00 -0.95162E-04 2750 0.599E-01 0.435E-02
DAV: 2 -0.191725539092E+04 -0.28675E-03 -0.29261E-03 2048 0.429E-02 0.119E-01
DAV: 3 -0.191725522650E+04 0.16442E-03 -0.86081E-04 1976 0.225E-02 0.495E-02
DAV: 4 -0.191725521961E+04 0.68874E-05 -0.58516E-05 1704 0.785E-03
139 T= 3170. E= -.17857399E+04 F= -.19172552E+04 E0= -.19172365E+04 EK= 0.13152E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191822840692E+04 -0.97318E+00 -0.71557E-04 2478 0.602E-01 0.755E-02
DAV: 2 -0.191822861260E+04 -0.20569E-03 -0.31476E-03 1960 0.545E-02 0.146E-01
DAV: 3 -0.191822850391E+04 0.10869E-03 -0.12589E-03 2000 0.257E-02 0.108E-01
DAV: 4 -0.191822843909E+04 0.64822E-04 -0.26220E-04 1848 0.152E-02 0.419E-02
DAV: 5 -0.191822842027E+04 0.18818E-04 -0.15104E-04 1680 0.104E-02 0.217E-02
DAV: 6 -0.191822840427E+04 0.15996E-04 -0.71787E-05 1312 0.856E-03 0.211E-02
DAV: 7 -0.191822837846E+04 0.25811E-04 -0.59984E-05 1520 0.921E-03 0.148E-02
DAV: 8 -0.191822836842E+04 0.10042E-04 -0.36398E-05 1264 0.702E-03 0.138E-02
DAV: 9 -0.191822836118E+04 0.72373E-05 -0.14552E-05 1216 0.601E-03
140 T= 3193. E= -.17857401E+04 F= -.19182284E+04 E0= -.19182097E+04 EK= 0.13249E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191920636544E+04 -0.97800E+00 -0.69437E-04 2110 0.606E-01 0.711E-02
DAV: 2 -0.191920644318E+04 -0.77737E-04 -0.16267E-03 2016 0.398E-02 0.124E-01
DAV: 3 -0.191920639263E+04 0.50543E-04 -0.64001E-04 1976 0.204E-02 0.848E-02
DAV: 4 -0.191920635357E+04 0.39068E-04 -0.17127E-04 1808 0.134E-02 0.419E-02
DAV: 5 -0.191920632960E+04 0.23962E-04 -0.12722E-04 1328 0.970E-03 0.220E-02
DAV: 6 -0.191920631735E+04 0.12256E-04 -0.96641E-05 1280 0.840E-03 0.231E-02
DAV: 7 -0.191920629698E+04 0.20367E-04 -0.64939E-05 1312 0.777E-03 0.130E-02
DAV: 8 -0.191920629001E+04 0.69734E-05 -0.31211E-05 1192 0.560E-03
141 T= 3217. E= -.17857403E+04 F= -.19192063E+04 E0= -.19191876E+04 EK= 0.13347E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192018589470E+04 -0.97960E+00 -0.54928E-04 2102 0.607E-01 0.283E-02
DAV: 2 -0.192018600104E+04 -0.10635E-03 -0.10061E-03 2008 0.224E-02 0.631E-02
DAV: 3 -0.192018598517E+04 0.15867E-04 -0.47629E-05 1558 0.676E-03 0.327E-02
DAV: 4 -0.192018598505E+04 0.12552E-06 -0.45637E-06 1064 0.262E-03
142 T= 3240. E= -.17857405E+04 F= -.19201860E+04 E0= -.19201672E+04 EK= 0.13445E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192116435768E+04 -0.97837E+00 -0.67593E-04 2398 0.610E-01 0.643E-02
DAV: 2 -0.192116460340E+04 -0.24572E-03 -0.26300E-03 1976 0.459E-02 0.109E-01
DAV: 3 -0.192116447465E+04 0.12875E-03 -0.10811E-03 1992 0.229E-02 0.785E-02
DAV: 4 -0.192116444575E+04 0.28903E-04 -0.15117E-04 1784 0.106E-02 0.435E-02
DAV: 5 -0.192116443631E+04 0.94367E-05 -0.55583E-05 1328 0.713E-03
143 T= 3264. E= -.17857407E+04 F= -.19211644E+04 E0= -.19211458E+04 EK= 0.13542E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192213874922E+04 -0.97430E+00 -0.61691E-04 2350 0.613E-01 0.885E-02
DAV: 2 -0.192213929013E+04 -0.54092E-03 -0.26660E-03 2000 0.604E-02 0.243E-01
DAV: 3 -0.192213887348E+04 0.41665E-03 -0.93631E-04 2024 0.335E-02 0.127E-01
DAV: 4 -0.192213881096E+04 0.62523E-04 -0.25944E-04 1920 0.164E-02 0.376E-02
DAV: 5 -0.192213880159E+04 0.93766E-05 -0.94141E-05 1744 0.103E-02
144 T= 3287. E= -.17857409E+04 F= -.19221388E+04 E0= -.19221202E+04 EK= 0.13640E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192310636166E+04 -0.96755E+00 -0.93319E-04 2830 0.615E-01 0.868E-02
DAV: 2 -0.192310683600E+04 -0.47434E-03 -0.35031E-03 1952 0.607E-02 0.213E-01
DAV: 3 -0.192310655729E+04 0.27871E-03 -0.12335E-03 2006 0.305E-02 0.139E-01
DAV: 4 -0.192310646547E+04 0.91820E-04 -0.25055E-04 1944 0.160E-02 0.359E-02
DAV: 5 -0.192310645802E+04 0.74485E-05 -0.80643E-05 1704 0.950E-03
145 T= 3311. E= -.17857410E+04 F= -.19231065E+04 E0= -.19230882E+04 EK= 0.13737E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192406505198E+04 -0.95859E+00 -0.87287E-04 2894 0.619E-01 0.723E-02
DAV: 2 -0.192406542660E+04 -0.37462E-03 -0.34861E-03 1984 0.616E-02 0.125E-01
DAV: 3 -0.192406523486E+04 0.19173E-03 -0.11777E-03 1984 0.302E-02 0.583E-02
DAV: 4 -0.192406521077E+04 0.24089E-04 -0.19509E-04 1888 0.125E-02 0.361E-02
DAV: 5 -0.192406520589E+04 0.48809E-05 -0.25851E-05 1152 0.583E-03
146 T= 3334. E= -.17857411E+04 F= -.19240652E+04 E0= -.19240469E+04 EK= 0.13832E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192501317628E+04 -0.94797E+00 -0.90110E-04 2846 0.621E-01 0.922E-02
DAV: 2 -0.192501354614E+04 -0.36985E-03 -0.40064E-03 1976 0.686E-02 0.170E-01
DAV: 3 -0.192501337028E+04 0.17586E-03 -0.12797E-03 1982 0.336E-02 0.127E-01
DAV: 4 -0.192501330656E+04 0.63725E-04 -0.22211E-04 1880 0.162E-02 0.627E-02
DAV: 5 -0.192501327835E+04 0.28204E-04 -0.16007E-04 1720 0.110E-02 0.209E-02
DAV: 6 -0.192501327641E+04 0.19455E-05 -0.53641E-05 1240 0.698E-03
147 T= 3357. E= -.17857412E+04 F= -.19250133E+04 E0= -.19249952E+04 EK= 0.13927E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192594916243E+04 -0.93588E+00 -0.11049E-03 2908 0.623E-01 0.726E-02
DAV: 2 -0.192594957907E+04 -0.41664E-03 -0.34713E-03 1928 0.584E-02 0.191E-01
DAV: 3 -0.192594940328E+04 0.17579E-03 -0.51804E-04 1976 0.246E-02 0.102E-01
DAV: 4 -0.192594935044E+04 0.52838E-04 -0.14498E-04 1768 0.148E-02 0.298E-02
DAV: 5 -0.192594934735E+04 0.30956E-05 -0.59302E-05 1368 0.756E-03
148 T= 3379. E= -.17857412E+04 F= -.19259493E+04 E0= -.19259314E+04 EK= 0.14021E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192687241592E+04 -0.92307E+00 -0.10511E-03 2884 0.625E-01 0.584E-02
DAV: 2 -0.192687276786E+04 -0.35194E-03 -0.39694E-03 1944 0.573E-02 0.119E-01
DAV: 3 -0.192687266602E+04 0.10183E-03 -0.10478E-03 1984 0.243E-02 0.995E-02
DAV: 4 -0.192687260856E+04 0.57465E-04 -0.10312E-04 1840 0.119E-02 0.354E-02
DAV: 5 -0.192687260464E+04 0.39166E-05 -0.31962E-05 1112 0.565E-03
149 T= 3401. E= -.17857413E+04 F= -.19268726E+04 E0= -.19268551E+04 EK= 0.14113E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192778256114E+04 -0.90995E+00 -0.66334E-04 2780 0.628E-01 0.988E-02
DAV: 2 -0.192778278605E+04 -0.22491E-03 -0.45117E-03 1944 0.765E-02 0.105E-01
DAV: 3 -0.192778278841E+04 -0.23538E-05 -0.73242E-04 1968 0.334E-02 0.153E-01
DAV: 4 -0.192778265427E+04 0.13414E-03 -0.20892E-04 1904 0.159E-02 0.415E-02
DAV: 5 -0.192778264584E+04 0.84293E-05 -0.56462E-05 1664 0.963E-03
150 T= 3423. E= -.17857412E+04 F= -.19277826E+04 E0= -.19277654E+04 EK= 0.14204E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192867936516E+04 -0.89671E+00 -0.85537E-04 2796 0.629E-01 0.106E-01
DAV: 2 -0.192867954862E+04 -0.18347E-03 -0.51321E-03 1936 0.822E-02 0.870E-02
DAV: 3 -0.192867957608E+04 -0.27460E-04 -0.10017E-03 1976 0.326E-02 0.131E-01
DAV: 4 -0.192867947352E+04 0.10256E-03 -0.20457E-04 1904 0.153E-02 0.486E-02
DAV: 5 -0.192867946581E+04 0.77090E-05 -0.11071E-04 1656 0.867E-03 0.214E-02
DAV: 6 -0.192867946230E+04 0.35063E-05 -0.51795E-05 1032 0.609E-03
151 T= 3445. E= -.17857412E+04 F= -.19286795E+04 E0= -.19286625E+04 EK= 0.14294E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192956323700E+04 -0.88377E+00 -0.79279E-04 2830 0.631E-01 0.738E-02
DAV: 2 -0.192956348605E+04 -0.24905E-03 -0.41233E-03 1936 0.647E-02 0.843E-02
DAV: 3 -0.192956344647E+04 0.39579E-04 -0.16232E-03 2006 0.282E-02 0.708E-02
DAV: 4 -0.192956338962E+04 0.56850E-04 -0.37531E-04 1848 0.141E-02 0.306E-02
DAV: 5 -0.192956338859E+04 0.10347E-05 -0.27548E-05 1264 0.605E-03
152 T= 3466. E= -.17857411E+04 F= -.19295634E+04 E0= -.19295465E+04 EK= 0.14382E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193043490142E+04 -0.87151E+00 -0.64830E-04 2822 0.633E-01 0.652E-02
DAV: 2 -0.193043510501E+04 -0.20359E-03 -0.32423E-03 1936 0.567E-02 0.728E-02
DAV: 3 -0.193043510278E+04 0.22317E-05 -0.61745E-04 2048 0.236E-02 0.979E-02
DAV: 4 -0.193043504054E+04 0.62234E-04 -0.11014E-04 1832 0.120E-02 0.303E-02
DAV: 5 -0.193043503819E+04 0.23556E-05 -0.50543E-05 1120 0.602E-03
153 T= 3487. E= -.17857411E+04 F= -.19304350E+04 E0= -.19304186E+04 EK= 0.14469E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193129502522E+04 -0.85998E+00 -0.80622E-04 2854 0.634E-01 0.696E-02
DAV: 2 -0.193129530551E+04 -0.28030E-03 -0.38679E-03 1952 0.615E-02 0.112E-01
DAV: 3 -0.193129529328E+04 0.12235E-04 -0.65211E-04 2030 0.251E-02 0.129E-01
DAV: 4 -0.193129519208E+04 0.10120E-03 -0.12435E-04 1872 0.141E-02 0.325E-02
DAV: 5 -0.193129518989E+04 0.21889E-05 -0.50170E-05 1342 0.700E-03
154 T= 3508. E= -.17857410E+04 F= -.19312952E+04 E0= -.19312791E+04 EK= 0.14555E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193214462227E+04 -0.84943E+00 -0.96992E-04 2838 0.636E-01 0.788E-02
DAV: 2 -0.193214495558E+04 -0.33331E-03 -0.54781E-03 1952 0.701E-02 0.101E-01
DAV: 3 -0.193214487014E+04 0.85432E-04 -0.20962E-03 2000 0.319E-02 0.785E-02
DAV: 4 -0.193214481693E+04 0.53214E-04 -0.27208E-04 1872 0.148E-02 0.432E-02
DAV: 5 -0.193214480972E+04 0.72056E-05 -0.40026E-05 1328 0.662E-03
155 T= 3528. E= -.17857409E+04 F= -.19321448E+04 E0= -.19321290E+04 EK= 0.14640E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193298482464E+04 -0.84001E+00 -0.10137E-03 2854 0.637E-01 0.101E-01
DAV: 2 -0.193298504028E+04 -0.21564E-03 -0.55109E-03 1952 0.775E-02 0.975E-02
DAV: 3 -0.193298505739E+04 -0.17118E-04 -0.23446E-03 2024 0.361E-02 0.125E-01
DAV: 4 -0.193298494560E+04 0.11179E-03 -0.29441E-04 1904 0.171E-02 0.598E-02
DAV: 5 -0.193298492654E+04 0.19067E-04 -0.12383E-04 1696 0.918E-03 0.204E-02
DAV: 6 -0.193298492404E+04 0.24962E-05 -0.34675E-05 1064 0.550E-03
156 T= 3549. E= -.17857409E+04 F= -.19329849E+04 E0= -.19329694E+04 EK= 0.14724E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193381637536E+04 -0.83145E+00 -0.90386E-04 2820 0.638E-01 0.849E-02
DAV: 2 -0.193381657521E+04 -0.19985E-03 -0.39181E-03 1944 0.665E-02 0.900E-02
DAV: 3 -0.193381668458E+04 -0.10938E-03 -0.51550E-04 1992 0.270E-02 0.167E-01
DAV: 4 -0.193381650695E+04 0.17763E-03 -0.12748E-04 1864 0.152E-02 0.253E-02
DAV: 5 -0.193381651552E+04 -0.85618E-05 -0.73850E-05 1448 0.718E-03
157 T= 3569. E= -.17857408E+04 F= -.19338165E+04 E0= -.19338012E+04 EK= 0.14808E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193464034081E+04 -0.82383E+00 -0.71848E-04 2788 0.640E-01 0.619E-02
DAV: 2 -0.193464060006E+04 -0.25925E-03 -0.36590E-03 1976 0.541E-02 0.929E-02
DAV: 3 -0.193464052792E+04 0.72138E-04 -0.14058E-03 2014 0.239E-02 0.610E-02
DAV: 4 -0.193464049541E+04 0.32508E-04 -0.19398E-04 1816 0.121E-02 0.385E-02
DAV: 5 -0.193464048842E+04 0.69950E-05 -0.24496E-05 1206 0.600E-03
158 T= 3589. E= -.17857407E+04 F= -.19346405E+04 E0= -.19346254E+04 EK= 0.14890E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193545745547E+04 -0.81696E+00 -0.69503E-04 2744 0.641E-01 0.666E-02
DAV: 2 -0.193545770683E+04 -0.25136E-03 -0.36513E-03 1968 0.561E-02 0.948E-02
DAV: 3 -0.193545761570E+04 0.91136E-04 -0.11076E-03 2000 0.247E-02 0.532E-02
DAV: 4 -0.193545758754E+04 0.28157E-04 -0.23088E-04 1816 0.122E-02 0.285E-02
DAV: 5 -0.193545758329E+04 0.42473E-05 -0.30007E-05 1112 0.562E-03
159 T= 3608. E= -.17857407E+04 F= -.19354576E+04 E0= -.19354420E+04 EK= 0.14972E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193626813939E+04 -0.81055E+00 -0.84935E-04 2752 0.641E-01 0.901E-02
DAV: 2 -0.193626866852E+04 -0.52914E-03 -0.48117E-03 1952 0.700E-02 0.250E-01
DAV: 3 -0.193626830878E+04 0.35974E-03 -0.11423E-03 1998 0.349E-02 0.126E-01
DAV: 4 -0.193626824550E+04 0.63282E-04 -0.40665E-04 1864 0.182E-02 0.464E-02
DAV: 5 -0.193626821986E+04 0.25647E-04 -0.18669E-04 1808 0.106E-02 0.224E-02
DAV: 6 -0.193626821426E+04 0.55939E-05 -0.31803E-05 1096 0.552E-03
160 T= 3628. E= -.17857407E+04 F= -.19362682E+04 E0= -.19362517E+04 EK= 0.15053E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193707227598E+04 -0.80406E+00 -0.92036E-04 2852 0.647E-01 0.867E-02
DAV: 2 -0.193707312012E+04 -0.84414E-03 -0.49615E-03 1960 0.670E-02 0.312E-01
DAV: 3 -0.193707245066E+04 0.66946E-03 -0.10802E-03 1984 0.352E-02 0.934E-02
DAV: 4 -0.193707244888E+04 0.17757E-05 -0.44892E-04 1848 0.174E-02 0.453E-02
DAV: 5 -0.193707242755E+04 0.21334E-04 -0.14475E-04 1760 0.970E-03 0.223E-02
DAV: 6 -0.193707242254E+04 0.50067E-05 -0.19176E-05 1072 0.545E-03
161 T= 3647. E= -.17857405E+04 F= -.19370724E+04 E0= -.19370532E+04 EK= 0.15133E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193787067421E+04 -0.79825E+00 -0.99962E-04 2918 0.663E-01 0.869E-02
DAV: 2 -0.193787112192E+04 -0.44770E-03 -0.43910E-03 1968 0.687E-02 0.268E-01
DAV: 3 -0.193787068628E+04 0.43564E-03 -0.82082E-04 1976 0.333E-02 0.105E-01
DAV: 4 -0.193787062407E+04 0.62206E-04 -0.37011E-04 1856 0.213E-02 0.535E-02
DAV: 5 -0.193787059169E+04 0.32383E-04 -0.33211E-04 1920 0.148E-02 0.376E-02
DAV: 6 -0.193787053374E+04 0.57942E-04 -0.15837E-04 2048 0.225E-02 0.265E-02
DAV: 7 -0.193787050581E+04 0.27932E-04 -0.10414E-04 1920 0.160E-02 0.187E-02
DAV: 8 -0.193787049093E+04 0.14881E-04 -0.39349E-05 1624 0.123E-02 0.142E-02
DAV: 9 -0.193787048544E+04 0.54927E-05 -0.37446E-05 1560 0.910E-03
162 T= 3666. E= -.17857405E+04 F= -.19378705E+04 E0= -.19378498E+04 EK= 0.15213E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193866208356E+04 -0.79159E+00 -0.70908E-04 2702 0.645E-01 0.465E-02
DAV: 2 -0.193866228719E+04 -0.20364E-03 -0.24060E-03 1984 0.386E-02 0.915E-02
DAV: 3 -0.193866223955E+04 0.47645E-04 -0.28550E-04 1966 0.157E-02 0.661E-02
DAV: 4 -0.193866221654E+04 0.23006E-04 -0.62398E-05 1608 0.897E-03 0.290E-02
DAV: 5 -0.193866221036E+04 0.61811E-05 -0.57479E-05 1184 0.697E-03
163 T= 3686. E= -.17857405E+04 F= -.19386622E+04 E0= -.19386411E+04 EK= 0.15292E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193944698774E+04 -0.78477E+00 -0.12594E-03 2766 0.648E-01 0.696E-02
DAV: 2 -0.193944752499E+04 -0.53725E-03 -0.64700E-03 2112 0.550E-02 0.174E-01
DAV: 3 -0.193944706927E+04 0.45573E-03 -0.32022E-03 2184 0.346E-02 0.495E-02
DAV: 4 -0.193944706081E+04 0.84582E-05 -0.22706E-04 1840 0.107E-02 0.246E-02
DAV: 5 -0.193944705832E+04 0.24913E-05 -0.19468E-05 1176 0.566E-03
164 T= 3704. E= -.17857405E+04 F= -.19394471E+04 E0= -.19394261E+04 EK= 0.15371E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194022431785E+04 -0.77726E+00 -0.13898E-03 2830 0.650E-01 0.962E-02
DAV: 2 -0.194022547578E+04 -0.11579E-02 -0.79107E-03 2104 0.685E-02 0.352E-01
DAV: 3 -0.194022441239E+04 0.10634E-02 -0.28462E-03 2086 0.407E-02 0.114E-01
DAV: 4 -0.194022436129E+04 0.51104E-04 -0.47651E-04 1888 0.189E-02 0.434E-02
DAV: 5 -0.194022434280E+04 0.18489E-04 -0.14616E-04 1848 0.118E-02 0.270E-02
DAV: 6 -0.194022432626E+04 0.16541E-04 -0.94620E-05 1720 0.113E-02 0.224E-02
DAV: 7 -0.194022430095E+04 0.25307E-04 -0.42269E-05 1448 0.150E-02 0.119E-02
DAV: 8 -0.194022429585E+04 0.51019E-05 -0.36878E-05 1704 0.993E-03
165 T= 3723. E= -.17857406E+04 F= -.19402243E+04 E0= -.19402032E+04 EK= 0.15448E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194099292207E+04 -0.76862E+00 -0.88391E-04 2788 0.649E-01 0.757E-02
DAV: 2 -0.194099367992E+04 -0.75785E-03 -0.23834E-03 2064 0.408E-02 0.321E-01
DAV: 3 -0.194099298550E+04 0.69443E-03 -0.65458E-04 2096 0.255E-02 0.465E-02
DAV: 4 -0.194099302574E+04 -0.40243E-04 -0.25313E-04 1832 0.136E-02 0.308E-02
DAV: 5 -0.194099301395E+04 0.11786E-04 -0.12098E-04 1680 0.114E-02 0.176E-02
DAV: 6 -0.194099301380E+04 0.15066E-06 -0.82529E-05 1272 0.678E-03
166 T= 3742. E= -.17857406E+04 F= -.19409930E+04 E0= -.19409719E+04 EK= 0.15525E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194175207731E+04 -0.75906E+00 -0.40569E-04 2422 0.648E-01 0.512E-02
DAV: 2 -0.194175234827E+04 -0.27096E-03 -0.14559E-03 2000 0.341E-02 0.176E-01
DAV: 3 -0.194175214445E+04 0.20382E-03 -0.25463E-04 1926 0.172E-02 0.374E-02
DAV: 4 -0.194175214755E+04 -0.30988E-05 -0.40466E-05 1536 0.798E-03
167 T= 3760. E= -.17857407E+04 F= -.19417521E+04 E0= -.19417311E+04 EK= 0.15601E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194250047811E+04 -0.74833E+00 -0.53044E-04 2612 0.651E-01 0.424E-02
DAV: 2 -0.194250061107E+04 -0.13296E-03 -0.15260E-03 2000 0.351E-02 0.525E-02
DAV: 3 -0.194250060534E+04 0.57302E-05 -0.16679E-04 1944 0.150E-02 0.659E-02
DAV: 4 -0.194250057942E+04 0.25925E-04 -0.30909E-05 1320 0.756E-03 0.217E-02
DAV: 5 -0.194250057753E+04 0.18887E-05 -0.27916E-05 1104 0.519E-03
168 T= 3778. E= -.17857407E+04 F= -.19425006E+04 E0= -.19424798E+04 EK= 0.15676E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194323714716E+04 -0.73657E+00 -0.37959E-04 2204 0.651E-01 0.478E-02
DAV: 2 -0.194323738074E+04 -0.23358E-03 -0.21490E-03 2000 0.408E-02 0.105E-01
DAV: 3 -0.194323724764E+04 0.13309E-03 -0.90824E-04 1984 0.224E-02 0.348E-02
DAV: 4 -0.194323723879E+04 0.88469E-05 -0.95830E-05 1656 0.873E-03
169 T= 3796. E= -.17857407E+04 F= -.19432372E+04 E0= -.19432166E+04 EK= 0.15750E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194396101796E+04 -0.72377E+00 -0.55738E-04 2542 0.653E-01 0.597E-02
DAV: 2 -0.194396132882E+04 -0.31087E-03 -0.30702E-03 1984 0.498E-02 0.134E-01
DAV: 3 -0.194396116811E+04 0.16071E-03 -0.12757E-03 2000 0.251E-02 0.746E-02
DAV: 4 -0.194396113848E+04 0.29628E-04 -0.76138E-05 1800 0.121E-02 0.464E-02
DAV: 5 -0.194396112267E+04 0.15812E-04 -0.58344E-05 1400 0.775E-03 0.175E-02
DAV: 6 -0.194396111833E+04 0.43388E-05 -0.25476E-05 1152 0.655E-03
170 T= 3813. E= -.17857408E+04 F= -.19439611E+04 E0= -.19439407E+04 EK= 0.15822E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194467117327E+04 -0.71005E+00 -0.63205E-04 2758 0.652E-01 0.443E-02
DAV: 2 -0.194467148927E+04 -0.31599E-03 -0.26948E-03 1968 0.450E-02 0.131E-01
DAV: 3 -0.194467136480E+04 0.12447E-03 -0.41942E-04 1958 0.177E-02 0.608E-02
DAV: 4 -0.194467134166E+04 0.23142E-04 -0.51598E-05 1736 0.104E-02 0.281E-02
DAV: 5 -0.194467133886E+04 0.28018E-05 -0.26506E-05 1102 0.522E-03
171 T= 3830. E= -.17857408E+04 F= -.19446713E+04 E0= -.19446512E+04 EK= 0.15893E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194536699269E+04 -0.69565E+00 -0.81873E-04 2782 0.654E-01 0.577E-02
DAV: 2 -0.194536726426E+04 -0.27157E-03 -0.33752E-03 1936 0.548E-02 0.912E-02
DAV: 3 -0.194536725197E+04 0.12285E-04 -0.30983E-04 1952 0.203E-02 0.103E-01
DAV: 4 -0.194536717651E+04 0.75466E-04 -0.10006E-04 1848 0.123E-02 0.266E-02
DAV: 5 -0.194536717579E+04 0.71364E-06 -0.32356E-05 1256 0.639E-03
172 T= 3847. E= -.17857409E+04 F= -.19453672E+04 E0= -.19453474E+04 EK= 0.15963E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194604789195E+04 -0.68072E+00 -0.81071E-04 2854 0.653E-01 0.803E-02
DAV: 2 -0.194604824557E+04 -0.35363E-03 -0.48463E-03 1952 0.711E-02 0.111E-01
DAV: 3 -0.194604817729E+04 0.68284E-04 -0.16079E-03 1982 0.328E-02 0.104E-01
DAV: 4 -0.194604808765E+04 0.89640E-04 -0.31586E-04 1880 0.157E-02 0.476E-02
DAV: 5 -0.194604807649E+04 0.11159E-04 -0.49184E-05 1616 0.793E-03 0.220E-02
DAV: 6 -0.194604807171E+04 0.47787E-05 -0.19787E-05 1008 0.565E-03
173 T= 3864. E= -.17857409E+04 F= -.19460481E+04 E0= -.19460286E+04 EK= 0.16031E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194671343960E+04 -0.66536E+00 -0.10461E-03 2878 0.655E-01 0.694E-02
DAV: 2 -0.194671384248E+04 -0.40288E-03 -0.49733E-03 1928 0.687E-02 0.105E-01
DAV: 3 -0.194671374281E+04 0.99669E-04 -0.12784E-03 1992 0.292E-02 0.708E-02
DAV: 4 -0.194671369171E+04 0.51101E-04 -0.26815E-04 1808 0.141E-02 0.348E-02
DAV: 5 -0.194671368912E+04 0.25892E-05 -0.24921E-05 1264 0.585E-03
174 T= 3880. E= -.17857409E+04 F= -.19467137E+04 E0= -.19466946E+04 EK= 0.16097E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194736368266E+04 -0.64999E+00 -0.10670E-03 2878 0.656E-01 0.922E-02
DAV: 2 -0.194736395825E+04 -0.27560E-03 -0.53055E-03 1912 0.772E-02 0.770E-02
DAV: 3 -0.194736394378E+04 0.14469E-04 -0.61236E-04 2038 0.301E-02 0.101E-01
DAV: 4 -0.194736387750E+04 0.66282E-04 -0.14276E-04 1896 0.133E-02 0.365E-02
DAV: 5 -0.194736387118E+04 0.63244E-05 -0.40324E-05 1286 0.704E-03
175 T= 3895. E= -.17857409E+04 F= -.19473639E+04 E0= -.19473451E+04 EK= 0.16162E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194799851171E+04 -0.63463E+00 -0.12499E-03 2918 0.657E-01 0.104E-01
DAV: 2 -0.194799879743E+04 -0.28572E-03 -0.57887E-03 1920 0.835E-02 0.102E-01
DAV: 3 -0.194799884550E+04 -0.48067E-04 -0.21114E-03 2014 0.372E-02 0.132E-01
DAV: 4 -0.194799868301E+04 0.16249E-03 -0.54742E-04 1968 0.188E-02 0.551E-02
DAV: 5 -0.194799866906E+04 0.13950E-04 -0.66413E-05 1792 0.922E-03 0.194E-02
DAV: 6 -0.194799866551E+04 0.35462E-05 -0.19491E-05 1048 0.555E-03
176 T= 3911. E= -.17857408E+04 F= -.19479987E+04 E0= -.19479802E+04 EK= 0.16226E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194861818344E+04 -0.61951E+00 -0.59426E-04 2804 0.656E-01 0.810E-02
DAV: 2 -0.194861849466E+04 -0.31123E-03 -0.45591E-03 1928 0.698E-02 0.110E-01
DAV: 3 -0.194861840498E+04 0.89680E-04 -0.18000E-03 2000 0.325E-02 0.809E-02
DAV: 4 -0.194861833616E+04 0.68825E-04 -0.41004E-04 1896 0.158E-02 0.405E-02
DAV: 5 -0.194861832891E+04 0.72500E-05 -0.34906E-05 1472 0.677E-03
177 T= 3925. E= -.17857408E+04 F= -.19486183E+04 E0= -.19486002E+04 EK= 0.16288E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194922313879E+04 -0.60480E+00 -0.69224E-04 2748 0.656E-01 0.751E-02
DAV: 2 -0.194922331629E+04 -0.17750E-03 -0.35272E-03 1928 0.614E-02 0.592E-02
DAV: 3 -0.194922330901E+04 0.72829E-05 -0.68026E-04 2064 0.250E-02 0.668E-02
DAV: 4 -0.194922326711E+04 0.41896E-04 -0.22596E-04 1848 0.117E-02 0.316E-02
DAV: 5 -0.194922326179E+04 0.53285E-05 -0.26052E-05 1152 0.583E-03
178 T= 3940. E= -.17857408E+04 F= -.19492233E+04 E0= -.19492056E+04 EK= 0.16348E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194981394697E+04 -0.59068E+00 -0.27656E-04 2132 0.655E-01 0.876E-02
DAV: 2 -0.194981426719E+04 -0.32022E-03 -0.39055E-03 1952 0.638E-02 0.175E-01
DAV: 3 -0.194981409149E+04 0.17569E-03 -0.90743E-04 1984 0.300E-02 0.116E-01
DAV: 4 -0.194981402171E+04 0.69782E-04 -0.26686E-04 1880 0.168E-02 0.536E-02
DAV: 5 -0.194981399909E+04 0.22621E-04 -0.14334E-04 1672 0.969E-03 0.173E-02
DAV: 6 -0.194981399677E+04 0.23200E-05 -0.26490E-05 1056 0.546E-03
179 T= 3954. E= -.17857407E+04 F= -.19498140E+04 E0= -.19497967E+04 EK= 0.16407E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195039110602E+04 -0.57711E+00 -0.21580E-04 1734 0.657E-01 0.692E-02
DAV: 2 -0.195039144391E+04 -0.33789E-03 -0.34092E-03 1936 0.562E-02 0.160E-01
DAV: 3 -0.195039125262E+04 0.19129E-03 -0.67912E-04 1982 0.262E-02 0.868E-02
DAV: 4 -0.195039121403E+04 0.38588E-04 -0.14804E-04 1832 0.137E-02 0.433E-02
DAV: 5 -0.195039120088E+04 0.13158E-04 -0.67289E-05 1270 0.723E-03 0.210E-02
DAV: 6 -0.195039119629E+04 0.45817E-05 -0.22462E-05 1048 0.615E-03
180 T= 3968. E= -.17857406E+04 F= -.19503912E+04 E0= -.19503743E+04 EK= 0.16465E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195095545414E+04 -0.56425E+00 -0.37456E-04 2646 0.657E-01 0.462E-02
DAV: 2 -0.195095571075E+04 -0.25661E-03 -0.31051E-03 1920 0.509E-02 0.831E-02
DAV: 3 -0.195095563613E+04 0.74617E-04 -0.56540E-04 1984 0.197E-02 0.529E-02
DAV: 4 -0.195095561184E+04 0.24292E-04 -0.10678E-04 1760 0.103E-02 0.317E-02
DAV: 5 -0.195095560661E+04 0.52279E-05 -0.19508E-05 1112 0.547E-03
181 T= 3982. E= -.17857406E+04 F= -.19509556E+04 E0= -.19509391E+04 EK= 0.16521E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195150779122E+04 -0.55218E+00 -0.61606E-04 2854 0.658E-01 0.921E-02
DAV: 2 -0.195150889973E+04 -0.11085E-02 -0.57195E-03 1928 0.744E-02 0.335E-01
DAV: 3 -0.195150801727E+04 0.88245E-03 -0.15848E-03 1976 0.351E-02 0.909E-02
DAV: 4 -0.195150798638E+04 0.30895E-04 -0.23148E-04 1760 0.194E-02 0.376E-02
DAV: 5 -0.195150798232E+04 0.40610E-05 -0.60025E-05 1720 0.826E-03
182 T= 3995. E= -.17857406E+04 F= -.19515080E+04 E0= -.19514918E+04 EK= 0.16577E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195204907619E+04 -0.54109E+00 -0.65275E-04 2886 0.657E-01 0.132E-01
DAV: 2 -0.195204996424E+04 -0.88805E-03 -0.63472E-03 1936 0.960E-02 0.330E-01
DAV: 3 -0.195204934599E+04 0.61825E-03 -0.15868E-03 2032 0.440E-02 0.166E-01
DAV: 4 -0.195204917530E+04 0.17069E-03 -0.67655E-04 1984 0.267E-02 0.497E-02
DAV: 5 -0.195204916178E+04 0.13513E-04 -0.19714E-04 1904 0.126E-02 0.230E-02
DAV: 6 -0.195204915799E+04 0.37981E-05 -0.39138E-05 1168 0.619E-03
183 T= 4008. E= -.17857405E+04 F= -.19520492E+04 E0= -.19520333E+04 EK= 0.16631E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195257987956E+04 -0.53072E+00 -0.79064E-04 2870 0.657E-01 0.105E-01
DAV: 2 -0.195258020727E+04 -0.32771E-03 -0.50751E-03 1912 0.826E-02 0.154E-01
DAV: 3 -0.195258019528E+04 0.11993E-04 -0.74540E-04 2022 0.352E-02 0.164E-01
DAV: 4 -0.195258000865E+04 0.18662E-03 -0.32349E-04 1936 0.196E-02 0.485E-02
DAV: 5 -0.195257999975E+04 0.89020E-05 -0.14968E-04 1744 0.102E-02 0.205E-02
DAV: 6 -0.195257999525E+04 0.45003E-05 -0.28862E-05 1144 0.635E-03
184 T= 4021. E= -.17857405E+04 F= -.19525800E+04 E0= -.19525646E+04 EK= 0.16684E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195310111876E+04 -0.52112E+00 -0.57710E-04 2852 0.657E-01 0.625E-02
DAV: 2 -0.195310138184E+04 -0.26308E-03 -0.37185E-03 1928 0.600E-02 0.661E-02
DAV: 3 -0.195310133572E+04 0.46114E-04 -0.38869E-04 2160 0.232E-02 0.516E-02
DAV: 4 -0.195310131440E+04 0.21319E-04 -0.12498E-04 1760 0.100E-02 0.256E-02
DAV: 5 -0.195310131042E+04 0.39784E-05 -0.13969E-05 1056 0.471E-03
185 T= 4034. E= -.17857404E+04 F= -.19531013E+04 E0= -.19530862E+04 EK= 0.16736E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195361375199E+04 -0.51244E+00 -0.46908E-04 2732 0.658E-01 0.733E-02
DAV: 2 -0.195361443742E+04 -0.68542E-03 -0.42825E-03 1928 0.637E-02 0.254E-01
DAV: 3 -0.195361395677E+04 0.48065E-03 -0.10149E-03 1984 0.271E-02 0.767E-02
DAV: 4 -0.195361392590E+04 0.30870E-04 -0.13653E-04 1736 0.159E-02 0.322E-02
DAV: 5 -0.195361392089E+04 0.50056E-05 -0.42918E-05 1624 0.765E-03
186 T= 4046. E= -.17857403E+04 F= -.19536139E+04 E0= -.19535992E+04 EK= 0.16787E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195411848853E+04 -0.50456E+00 -0.40095E-04 2740 0.658E-01 0.965E-02
DAV: 2 -0.195411943832E+04 -0.94978E-03 -0.66667E-03 1920 0.778E-02 0.298E-01
DAV: 3 -0.195411868607E+04 0.75225E-03 -0.23197E-03 2000 0.368E-02 0.986E-02
DAV: 4 -0.195411864098E+04 0.45090E-04 -0.18509E-04 1792 0.202E-02 0.427E-02
DAV: 5 -0.195411863031E+04 0.10667E-04 -0.86675E-05 1720 0.908E-03 0.234E-02
DAV: 6 -0.195411862145E+04 0.88633E-05 -0.21452E-05 1216 0.707E-03
187 T= 4058. E= -.17857403E+04 F= -.19541186E+04 E0= -.19541042E+04 EK= 0.16838E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195461597431E+04 -0.49734E+00 -0.77619E-04 2870 0.658E-01 0.750E-02
DAV: 2 -0.195461658201E+04 -0.60770E-03 -0.58255E-03 1920 0.714E-02 0.195E-01
DAV: 3 -0.195461628104E+04 0.30097E-03 -0.18403E-03 1984 0.297E-02 0.989E-02
DAV: 4 -0.195461620936E+04 0.71687E-04 -0.16765E-04 1840 0.172E-02 0.442E-02
DAV: 5 -0.195461620060E+04 0.87552E-05 -0.52887E-05 1592 0.764E-03
188 T= 4070. E= -.17857403E+04 F= -.19546162E+04 E0= -.19546021E+04 EK= 0.16888E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195510720822E+04 -0.49100E+00 -0.49523E-04 2852 0.658E-01 0.976E-02
DAV: 2 -0.195510747181E+04 -0.26359E-03 -0.53599E-03 1920 0.798E-02 0.968E-02
DAV: 3 -0.195510754915E+04 -0.77337E-04 -0.13790E-03 2096 0.319E-02 0.150E-01
DAV: 4 -0.195510735263E+04 0.19651E-03 -0.46415E-04 1960 0.174E-02 0.337E-02
DAV: 5 -0.195510735601E+04 -0.33772E-05 -0.64932E-05 1696 0.829E-03
189 T= 4082. E= -.17857402E+04 F= -.19551074E+04 E0= -.19550936E+04 EK= 0.16937E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195559269160E+04 -0.48534E+00 -0.40118E-04 2740 0.658E-01 0.111E-01
DAV: 2 -0.195559281317E+04 -0.12156E-03 -0.48039E-03 1912 0.799E-02 0.721E-02
DAV: 3 -0.195559288738E+04 -0.74219E-04 -0.56363E-04 2136 0.308E-02 0.131E-01
DAV: 4 -0.195559275581E+04 0.13158E-03 -0.18125E-04 1968 0.144E-02 0.282E-02
DAV: 5 -0.195559276037E+04 -0.45670E-05 -0.75073E-05 1408 0.786E-03
190 T= 4094. E= -.17857402E+04 F= -.19555928E+04 E0= -.19555794E+04 EK= 0.16985E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195607293293E+04 -0.48018E+00 -0.53828E-04 2556 0.658E-01 0.925E-02
DAV: 2 -0.195607310489E+04 -0.17196E-03 -0.40883E-03 1936 0.690E-02 0.768E-02
DAV: 3 -0.195607317546E+04 -0.70570E-04 -0.12134E-03 2024 0.289E-02 0.124E-01
DAV: 4 -0.195607303632E+04 0.13914E-03 -0.40692E-04 1936 0.149E-02 0.326E-02
DAV: 5 -0.195607303420E+04 0.21263E-05 -0.57825E-05 1584 0.770E-03
191 T= 4105. E= -.17857401E+04 F= -.19560730E+04 E0= -.19560598E+04 EK= 0.17033E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195654865447E+04 -0.47562E+00 -0.38812E-04 2420 0.659E-01 0.765E-02
DAV: 2 -0.195654883309E+04 -0.17861E-03 -0.31243E-03 1936 0.586E-02 0.962E-02
DAV: 3 -0.195654884536E+04 -0.12278E-04 -0.42631E-04 2040 0.240E-02 0.116E-01
DAV: 4 -0.195654874185E+04 0.10351E-03 -0.18499E-04 1936 0.133E-02 0.290E-02
DAV: 5 -0.195654873969E+04 0.21653E-05 -0.55542E-05 1336 0.719E-03
192 T= 4117. E= -.17857401E+04 F= -.19565487E+04 E0= -.19565358E+04 EK= 0.17081E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195702028685E+04 -0.47154E+00 -0.34923E-04 2380 0.659E-01 0.730E-02
DAV: 2 -0.195702045042E+04 -0.16357E-03 -0.29156E-03 1944 0.564E-02 0.937E-02
DAV: 3 -0.195702047688E+04 -0.26460E-04 -0.77011E-04 2024 0.240E-02 0.118E-01
DAV: 4 -0.195702035804E+04 0.11884E-03 -0.25513E-04 1912 0.140E-02 0.240E-02
DAV: 5 -0.195702035818E+04 -0.13552E-06 -0.42005E-05 1416 0.690E-03
193 T= 4128. E= -.17857401E+04 F= -.19570204E+04 E0= -.19570077E+04 EK= 0.17128E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195748827101E+04 -0.46791E+00 -0.36452E-04 2460 0.659E-01 0.684E-02
DAV: 2 -0.195748842230E+04 -0.15129E-03 -0.24444E-03 1968 0.526E-02 0.890E-02
DAV: 3 -0.195748842892E+04 -0.66199E-05 -0.30235E-04 2048 0.216E-02 0.993E-02
DAV: 4 -0.195748835317E+04 0.75752E-04 -0.13699E-04 1872 0.121E-02 0.297E-02
DAV: 5 -0.195748834988E+04 0.32901E-05 -0.54748E-05 1200 0.654E-03
194 T= 4139. E= -.17857401E+04 F= -.19574883E+04 E0= -.19574759E+04 EK= 0.17175E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195795304135E+04 -0.46469E+00 -0.37026E-04 2412 0.660E-01 0.663E-02
DAV: 2 -0.195795318611E+04 -0.14476E-03 -0.25383E-03 1952 0.523E-02 0.758E-02
DAV: 3 -0.195795320292E+04 -0.16802E-04 -0.27002E-04 1974 0.212E-02 0.991E-02
DAV: 4 -0.195795312596E+04 0.76954E-04 -0.12237E-04 1864 0.116E-02 0.271E-02
DAV: 5 -0.195795312365E+04 0.23110E-05 -0.46891E-05 1184 0.644E-03
195 T= 4150. E= -.17857401E+04 F= -.19579531E+04 E0= -.19579407E+04 EK= 0.17221E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195841487569E+04 -0.46175E+00 -0.55933E-04 2566 0.660E-01 0.666E-02
DAV: 2 -0.195841511727E+04 -0.24158E-03 -0.34388E-03 1936 0.556E-02 0.104E-01
DAV: 3 -0.195841505040E+04 0.66870E-04 -0.13325E-03 1992 0.257E-02 0.841E-02
DAV: 4 -0.195841498298E+04 0.67421E-04 -0.24838E-04 1872 0.138E-02 0.387E-02
DAV: 5 -0.195841497282E+04 0.10155E-04 -0.35737E-05 1344 0.693E-03 0.166E-02
DAV: 6 -0.195841496817E+04 0.46526E-05 -0.13956E-05 1048 0.546E-03
196 T= 4162. E= -.17857401E+04 F= -.19584150E+04 E0= -.19584027E+04 EK= 0.17267E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195887402319E+04 -0.45905E+00 -0.51666E-04 2756 0.661E-01 0.494E-02
DAV: 2 -0.195887433316E+04 -0.30996E-03 -0.33180E-03 1944 0.519E-02 0.106E-01
DAV: 3 -0.195887420337E+04 0.12978E-03 -0.82207E-04 1992 0.224E-02 0.542E-02
DAV: 4 -0.195887418003E+04 0.23347E-04 -0.12075E-04 1784 0.108E-02 0.322E-02
DAV: 5 -0.195887417642E+04 0.36125E-05 -0.13285E-05 1072 0.443E-03
197 T= 4173. E= -.17857401E+04 F= -.19588742E+04 E0= -.19588621E+04 EK= 0.17313E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195933079398E+04 -0.45661E+00 -0.58933E-04 2820 0.662E-01 0.623E-02
DAV: 2 -0.195933106382E+04 -0.26984E-03 -0.42223E-03 1920 0.645E-02 0.741E-02
DAV: 3 -0.195933100391E+04 0.59907E-04 -0.51682E-04 2022 0.249E-02 0.626E-02
DAV: 4 -0.195933097294E+04 0.30974E-04 -0.16086E-04 1824 0.111E-02 0.338E-02
DAV: 5 -0.195933096442E+04 0.85205E-05 -0.19845E-05 1182 0.565E-03
198 T= 4184. E= -.17857401E+04 F= -.19593310E+04 E0= -.19593191E+04 EK= 0.17359E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195978522549E+04 -0.45425E+00 -0.79290E-04 2862 0.663E-01 0.106E-01
DAV: 2 -0.195978576243E+04 -0.53694E-03 -0.66558E-03 1944 0.875E-02 0.183E-01
DAV: 3 -0.195978558478E+04 0.17764E-03 -0.83988E-04 2078 0.359E-02 0.146E-01
DAV: 4 -0.195978542667E+04 0.15811E-03 -0.35202E-04 1960 0.204E-02 0.497E-02
DAV: 5 -0.195978541663E+04 0.10044E-04 -0.10665E-04 1750 0.986E-03 0.271E-02
DAV: 6 -0.195978540839E+04 0.82421E-05 -0.24993E-05 1176 0.646E-03
199 T= 4195. E= -.17857401E+04 F= -.19597854E+04 E0= -.19597736E+04 EK= 0.17405E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196023737968E+04 -0.45196E+00 -0.99802E-04 2886 0.664E-01 0.933E-02
DAV: 2 -0.196023796060E+04 -0.58091E-03 -0.66989E-03 1928 0.848E-02 0.167E-01
DAV: 3 -0.196023778878E+04 0.17182E-03 -0.67776E-04 2032 0.328E-02 0.124E-01
DAV: 4 -0.196023767465E+04 0.11413E-03 -0.25361E-04 1904 0.185E-02 0.469E-02
DAV: 5 -0.196023766735E+04 0.73024E-05 -0.73991E-05 1680 0.839E-03
200 T= 4205. E= -.17857401E+04 F= -.19602377E+04 E0= -.19602258E+04 EK= 0.17450E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196068760957E+04 -0.44993E+00 -0.93000E-04 2902 0.664E-01 0.112E-01
DAV: 2 -0.196068787089E+04 -0.26132E-03 -0.70714E-03 1904 0.940E-02 0.820E-02
DAV: 3 -0.196068782881E+04 0.42074E-04 -0.69700E-04 2120 0.350E-02 0.947E-02
DAV: 4 -0.196068776259E+04 0.66225E-04 -0.23266E-04 1928 0.139E-02 0.356E-02
DAV: 5 -0.196068774314E+04 0.19452E-04 -0.55196E-05 1688 0.934E-03 0.221E-02
DAV: 6 -0.196068771781E+04 0.25327E-04 -0.61053E-05 1800 0.120E-02 0.144E-02
DAV: 7 -0.196068770819E+04 0.96158E-05 -0.59833E-05 1456 0.116E-02
201 T= 4216. E= -.17857401E+04 F= -.19606877E+04 E0= -.19606759E+04 EK= 0.17495E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196113533659E+04 -0.44762E+00 -0.73961E-04 2902 0.663E-01 0.522E-02
DAV: 2 -0.196113559371E+04 -0.25712E-03 -0.33137E-03 1928 0.541E-02 0.631E-02
DAV: 3 -0.196113554781E+04 0.45898E-04 -0.22395E-04 1968 0.201E-02 0.488E-02
DAV: 4 -0.196113553571E+04 0.12102E-04 -0.56323E-05 1712 0.896E-03 0.319E-02
DAV: 5 -0.196113552220E+04 0.13507E-04 -0.39831E-05 1392 0.832E-03 0.265E-02
DAV: 6 -0.196113551083E+04 0.11368E-04 -0.80666E-05 1640 0.102E-02 0.217E-02
DAV: 7 -0.196113549923E+04 0.11602E-04 -0.46075E-05 1528 0.106E-02 0.124E-02
DAV: 8 -0.196113549610E+04 0.31257E-05 -0.21178E-05 1312 0.874E-03
202 T= 4227. E= -.17857401E+04 F= -.19611355E+04 E0= -.19611236E+04 EK= 0.17540E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196158088083E+04 -0.44538E+00 -0.36986E-04 2374 0.664E-01 0.483E-02
DAV: 2 -0.196158096229E+04 -0.81459E-04 -0.15476E-03 1984 0.377E-02 0.450E-02
DAV: 3 -0.196158096759E+04 -0.52960E-05 -0.27155E-04 1950 0.175E-02 0.424E-02
DAV: 4 -0.196158097007E+04 -0.24812E-05 -0.14536E-04 1384 0.896E-03 0.475E-02
DAV: 5 -0.196158095643E+04 0.13638E-04 -0.24994E-05 1248 0.721E-03 0.273E-02
DAV: 6 -0.196158095281E+04 0.36195E-05 -0.31252E-05 1160 0.564E-03
203 T= 4238. E= -.17857402E+04 F= -.19615810E+04 E0= -.19615691E+04 EK= 0.17584E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196202378278E+04 -0.44283E+00 -0.32448E-04 2438 0.662E-01 0.313E-02
DAV: 2 -0.196202389170E+04 -0.10892E-03 -0.13085E-03 1976 0.317E-02 0.270E-02
DAV: 3 -0.196202389210E+04 -0.40492E-06 -0.97059E-05 1854 0.108E-02
204 T= 4249. E= -.17857402E+04 F= -.19620239E+04 E0= -.19620115E+04 EK= 0.17628E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196246400955E+04 -0.44012E+00 -0.22049E-04 1886 0.664E-01 0.563E-02
DAV: 2 -0.196246422318E+04 -0.21363E-03 -0.15565E-03 1936 0.371E-02 0.130E-01
DAV: 3 -0.196246409761E+04 0.12557E-03 -0.41119E-04 1984 0.161E-02 0.528E-02
DAV: 4 -0.196246407694E+04 0.20672E-04 -0.62074E-05 1584 0.108E-02 0.154E-02
DAV: 5 -0.196246407595E+04 0.99312E-06 -0.48039E-05 1664 0.929E-03
205 T= 4259. E= -.17857403E+04 F= -.19624641E+04 E0= -.19624516E+04 EK= 0.17672E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196290114742E+04 -0.43707E+00 -0.17774E-04 1854 0.664E-01 0.601E-02
DAV: 2 -0.196290156931E+04 -0.42189E-03 -0.14990E-03 1984 0.373E-02 0.209E-01
DAV: 3 -0.196290120289E+04 0.36642E-03 -0.41173E-04 1968 0.201E-02 0.400E-02
DAV: 4 -0.196290122684E+04 -0.23957E-04 -0.13489E-04 1608 0.930E-03 0.295E-02
DAV: 5 -0.196290121866E+04 0.81883E-05 -0.44686E-05 1152 0.592E-03
206 T= 4270. E= -.17857404E+04 F= -.19629012E+04 E0= -.19628886E+04 EK= 0.17716E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196333486922E+04 -0.43364E+00 -0.25966E-04 2294 0.665E-01 0.546E-02
DAV: 2 -0.196333526914E+04 -0.39992E-03 -0.15784E-03 2048 0.379E-02 0.193E-01
DAV: 3 -0.196333495482E+04 0.31432E-03 -0.29850E-04 1974 0.195E-02 0.436E-02
DAV: 4 -0.196333496744E+04 -0.12622E-04 -0.98387E-05 1592 0.887E-03 0.245E-02
DAV: 5 -0.196333496278E+04 0.46551E-05 -0.22516E-05 1080 0.502E-03
207 T= 4280. E= -.17857404E+04 F= -.19633350E+04 E0= -.19633220E+04 EK= 0.17759E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196376476851E+04 -0.42980E+00 -0.55706E-04 2670 0.666E-01 0.488E-02
DAV: 2 -0.196376507197E+04 -0.30346E-03 -0.23415E-03 1968 0.458E-02 0.129E-01
DAV: 3 -0.196376494291E+04 0.12907E-03 -0.32456E-04 1976 0.183E-02 0.637E-02
DAV: 4 -0.196376491098E+04 0.31926E-04 -0.89288E-05 1720 0.110E-02 0.263E-02
DAV: 5 -0.196376490965E+04 0.13295E-05 -0.13575E-05 1096 0.461E-03
208 T= 4290. E= -.17857405E+04 F= -.19637649E+04 E0= -.19637513E+04 EK= 0.17802E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196419041117E+04 -0.42550E+00 -0.63855E-04 2790 0.668E-01 0.761E-02
DAV: 2 -0.196419089849E+04 -0.48732E-03 -0.54928E-03 1936 0.692E-02 0.156E-01
DAV: 3 -0.196419065263E+04 0.24586E-03 -0.21351E-03 2016 0.326E-02 0.838E-02
DAV: 4 -0.196419058843E+04 0.64193E-04 -0.28146E-04 1888 0.159E-02 0.439E-02
DAV: 5 -0.196419057863E+04 0.98020E-05 -0.36232E-05 1400 0.699E-03
209 T= 4301. E= -.17857405E+04 F= -.19641906E+04 E0= -.19641758E+04 EK= 0.17845E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196461131638E+04 -0.42073E+00 -0.72989E-04 2822 0.671E-01 0.105E-01
DAV: 2 -0.196461164196E+04 -0.32558E-03 -0.59790E-03 1920 0.841E-02 0.119E-01
DAV: 3 -0.196461158801E+04 0.53950E-04 -0.21898E-03 2014 0.375E-02 0.115E-01
DAV: 4 -0.196461144452E+04 0.14350E-03 -0.64319E-04 1968 0.191E-02 0.464E-02
DAV: 5 -0.196461143538E+04 0.91349E-05 -0.60834E-05 1736 0.837E-03
210 T= 4311. E= -.17857405E+04 F= -.19646114E+04 E0= -.19645948E+04 EK= 0.17887E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196502693157E+04 -0.41549E+00 0.52302E-04 2766 0.675E-01 0.115E-01
DAV: 2 -0.196502713872E+04 -0.20715E-03 -0.51576E-03 1936 0.844E-02 0.121E-01
DAV: 3 -0.196502727846E+04 -0.13974E-03 -0.11713E-03 2080 0.353E-02 0.177E-01
DAV: 4 -0.196502699180E+04 0.28667E-03 -0.51362E-04 2040 0.200E-02 0.264E-02
DAV: 5 -0.196502700230E+04 -0.10509E-04 -0.63294E-05 1744 0.955E-03 0.121E-02
DAV: 6 -0.196502700066E+04 0.16443E-05 -0.12483E-05 1048 0.512E-03
211 T= 4321. E= -.17857405E+04 F= -.19650270E+04 E0= -.19650085E+04 EK= 0.17929E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196543689676E+04 -0.40989E+00 -0.50555E-04 2622 0.679E-01 0.781E-02
DAV: 2 -0.196543701014E+04 -0.11337E-03 -0.28462E-03 1944 0.605E-02 0.926E-02
DAV: 3 -0.196543698388E+04 0.26254E-04 -0.58619E-04 2048 0.272E-02 0.924E-02
DAV: 4 -0.196543690235E+04 0.81535E-04 -0.15305E-04 1896 0.147E-02 0.359E-02
DAV: 5 -0.196543689223E+04 0.10117E-04 -0.72836E-05 1432 0.833E-03 0.232E-02
DAV: 6 -0.196543686936E+04 0.22866E-04 -0.32134E-05 1304 0.850E-03 0.152E-02
DAV: 7 -0.196543682860E+04 0.40762E-04 -0.53724E-05 1784 0.186E-02 0.121E-02
DAV: 8 -0.196543680846E+04 0.20140E-04 -0.67178E-05 1896 0.177E-02 0.151E-02
DAV: 9 -0.196543680872E+04 -0.25824E-06 -0.53108E-05 1664 0.849E-03
212 T= 4331. E= -.17857406E+04 F= -.19654368E+04 E0= -.19654177E+04 EK= 0.17970E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196584020058E+04 -0.40339E+00 -0.33178E-04 2278 0.670E-01 0.419E-02
DAV: 2 -0.196584031104E+04 -0.11046E-03 -0.12615E-03 1984 0.269E-02 0.575E-02
DAV: 3 -0.196584027895E+04 0.32093E-04 -0.26667E-04 1830 0.128E-02 0.317E-02
DAV: 4 -0.196584026826E+04 0.10691E-04 -0.53741E-05 1376 0.875E-03 0.260E-02
DAV: 5 -0.196584026764E+04 0.61718E-06 -0.32559E-05 1358 0.629E-03
213 T= 4341. E= -.17857407E+04 F= -.19658403E+04 E0= -.19658210E+04 EK= 0.18010E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196623681223E+04 -0.39654E+00 -0.32712E-04 2662 0.671E-01 0.485E-02
DAV: 2 -0.196623688269E+04 -0.70459E-04 -0.13045E-03 2048 0.318E-02 0.488E-02
DAV: 3 -0.196623689539E+04 -0.12699E-04 -0.23432E-04 1984 0.155E-02 0.699E-02
DAV: 4 -0.196623684589E+04 0.49506E-04 -0.61889E-05 1424 0.102E-02 0.223E-02
DAV: 5 -0.196623683010E+04 0.15791E-04 -0.23431E-05 1312 0.853E-03 0.148E-02
DAV: 6 -0.196623681932E+04 0.10774E-04 -0.40079E-05 1312 0.867E-03 0.208E-02
DAV: 7 -0.196623679460E+04 0.24723E-04 -0.27325E-05 1384 0.124E-02 0.698E-03
DAV: 8 -0.196623678694E+04 0.76592E-05 -0.31756E-05 1640 0.933E-03
214 T= 4350. E= -.17857407E+04 F= -.19662368E+04 E0= -.19662175E+04 EK= 0.18050E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196662569716E+04 -0.38890E+00 -0.83640E-04 2806 0.674E-01 0.359E-02
DAV: 2 -0.196662584017E+04 -0.14301E-03 -0.15125E-03 2040 0.287E-02 0.542E-02
DAV: 3 -0.196662582682E+04 0.13357E-04 -0.14192E-04 1928 0.119E-02 0.420E-02
DAV: 4 -0.196662581267E+04 0.14151E-04 -0.28669E-05 1248 0.745E-03 0.172E-02
DAV: 5 -0.196662581053E+04 0.21306E-05 -0.38691E-05 1184 0.655E-03
215 T= 4359. E= -.17857408E+04 F= -.19666258E+04 E0= -.19666058E+04 EK= 0.18089E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196700669121E+04 -0.38088E+00 -0.89120E-04 2750 0.673E-01 0.313E-02
DAV: 2 -0.196700683578E+04 -0.14458E-03 -0.17378E-03 1992 0.339E-02 0.691E-02
DAV: 3 -0.196700679689E+04 0.38889E-04 -0.29879E-04 1934 0.139E-02 0.413E-02
DAV: 4 -0.196700677923E+04 0.17669E-04 -0.25110E-05 1288 0.667E-03 0.226E-02
DAV: 5 -0.196700677251E+04 0.67160E-05 -0.16889E-05 1176 0.478E-03
216 T= 4369. E= -.17857409E+04 F= -.19670068E+04 E0= -.19669866E+04 EK= 0.18127E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196737895329E+04 -0.37217E+00 -0.70151E-04 2606 0.672E-01 0.440E-02
DAV: 2 -0.196737911249E+04 -0.15919E-03 -0.16584E-03 2048 0.320E-02 0.740E-02
DAV: 3 -0.196737906758E+04 0.44907E-04 -0.27298E-04 1976 0.149E-02 0.532E-02
DAV: 4 -0.196737904611E+04 0.21475E-04 -0.29602E-05 1368 0.822E-03 0.216E-02
DAV: 5 -0.196737904427E+04 0.18377E-05 -0.36593E-05 1152 0.689E-03
217 T= 4378. E= -.17857410E+04 F= -.19673790E+04 E0= -.19673586E+04 EK= 0.18164E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196774204428E+04 -0.36300E+00 -0.62826E-04 2558 0.674E-01 0.445E-02
DAV: 2 -0.196774224644E+04 -0.20217E-03 -0.18578E-03 2040 0.381E-02 0.912E-02
DAV: 3 -0.196774218185E+04 0.64595E-04 -0.34252E-04 1992 0.177E-02 0.639E-02
DAV: 4 -0.196774214640E+04 0.35454E-04 -0.54820E-05 1672 0.940E-03 0.217E-02
DAV: 5 -0.196774214199E+04 0.44085E-05 -0.23209E-05 1352 0.741E-03
218 T= 4386. E= -.17857411E+04 F= -.19677421E+04 E0= -.19677221E+04 EK= 0.18200E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196809549976E+04 -0.35335E+00 -0.71076E-04 2734 0.675E-01 0.483E-02
DAV: 2 -0.196809576446E+04 -0.26470E-03 -0.25908E-03 1976 0.452E-02 0.114E-01
DAV: 3 -0.196809562982E+04 0.13464E-03 -0.51424E-04 1982 0.198E-02 0.484E-02
DAV: 4 -0.196809561406E+04 0.15762E-04 -0.43595E-05 1712 0.883E-03 0.282E-02
DAV: 5 -0.196809560902E+04 0.50385E-05 -0.28193E-05 1112 0.532E-03
219 T= 4395. E= -.17857412E+04 F= -.19680956E+04 E0= -.19680754E+04 EK= 0.18235E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196843876466E+04 -0.34315E+00 -0.80408E-04 2854 0.675E-01 0.617E-02
DAV: 2 -0.196843912452E+04 -0.35986E-03 -0.34018E-03 1944 0.548E-02 0.138E-01
DAV: 3 -0.196843896104E+04 0.16349E-03 -0.58976E-04 1982 0.244E-02 0.776E-02
DAV: 4 -0.196843891707E+04 0.43969E-04 -0.83633E-05 1776 0.126E-02 0.316E-02
DAV: 5 -0.196843891274E+04 0.43280E-05 -0.28716E-05 1240 0.598E-03
220 T= 4403. E= -.17857412E+04 F= -.19684389E+04 E0= -.19684190E+04 EK= 0.18270E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196877151005E+04 -0.33259E+00 -0.81554E-04 2742 0.678E-01 0.921E-02
DAV: 2 -0.196877185869E+04 -0.34864E-03 -0.50025E-03 1944 0.779E-02 0.114E-01
DAV: 3 -0.196877179464E+04 0.64052E-04 -0.11138E-03 2000 0.342E-02 0.114E-01
DAV: 4 -0.196877167807E+04 0.11657E-03 -0.25939E-04 1880 0.153E-02 0.327E-02
DAV: 5 -0.196877167501E+04 0.30651E-05 -0.32987E-05 1528 0.755E-03
221 T= 4411. E= -.17857412E+04 F= -.19687717E+04 E0= -.19687516E+04 EK= 0.18303E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196909350112E+04 -0.32182E+00 -0.10007E-03 2846 0.680E-01 0.109E-01
DAV: 2 -0.196909373535E+04 -0.23423E-03 -0.52415E-03 1936 0.847E-02 0.111E-01
DAV: 3 -0.196909370274E+04 0.32604E-04 -0.14398E-03 1968 0.361E-02 0.117E-01
DAV: 4 -0.196909357533E+04 0.12741E-03 -0.24735E-04 1984 0.179E-02 0.383E-02
DAV: 5 -0.196909357277E+04 0.25572E-05 -0.66499E-05 1728 0.833E-03
222 T= 4419. E= -.17857413E+04 F= -.19690936E+04 E0= -.19690737E+04 EK= 0.18335E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196940420564E+04 -0.31063E+00 -0.11931E-03 2838 0.678E-01 0.103E-01
DAV: 2 -0.196940441273E+04 -0.20709E-03 -0.45784E-03 1944 0.744E-02 0.120E-01
DAV: 3 -0.196940440686E+04 0.58666E-05 -0.11454E-03 2038 0.337E-02 0.130E-01
DAV: 4 -0.196940426162E+04 0.14523E-03 -0.19098E-04 1968 0.181E-02 0.378E-02
DAV: 5 -0.196940425721E+04 0.44096E-05 -0.93843E-05 1720 0.938E-03
223 T= 4426. E= -.17857414E+04 F= -.19694043E+04 E0= -.19693843E+04 EK= 0.18366E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196970331941E+04 -0.29906E+00 -0.12065E-03 2854 0.678E-01 0.806E-02
DAV: 2 -0.196970356079E+04 -0.24138E-03 -0.33384E-03 1944 0.636E-02 0.105E-01
DAV: 3 -0.196970355431E+04 0.64824E-05 -0.82349E-04 2016 0.276E-02 0.105E-01
DAV: 4 -0.196970345028E+04 0.10402E-03 -0.16434E-04 1872 0.137E-02 0.252E-02
DAV: 5 -0.196970344942E+04 0.85754E-06 -0.39934E-05 1528 0.813E-03
224 T= 4434. E= -.17857414E+04 F= -.19697034E+04 E0= -.19696839E+04 EK= 0.18396E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196999092780E+04 -0.28748E+00 -0.81228E-04 2726 0.679E-01 0.657E-02
DAV: 2 -0.196999112284E+04 -0.19504E-03 -0.26674E-03 1960 0.545E-02 0.873E-02
DAV: 3 -0.196999107903E+04 0.43814E-04 -0.63723E-04 2006 0.242E-02 0.766E-02
DAV: 4 -0.196999102661E+04 0.52418E-04 -0.79826E-05 1840 0.115E-02 0.255E-02
DAV: 5 -0.196999102319E+04 0.34234E-05 -0.26681E-05 1152 0.569E-03
225 T= 4441. E= -.17857414E+04 F= -.19699910E+04 E0= -.19699717E+04 EK= 0.18425E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197026678543E+04 -0.27576E+00 -0.85490E-04 2758 0.680E-01 0.682E-02
DAV: 2 -0.197026697559E+04 -0.19016E-03 -0.26577E-03 1976 0.541E-02 0.988E-02
DAV: 3 -0.197026693439E+04 0.41204E-04 -0.52106E-04 1992 0.244E-02 0.928E-02
DAV: 4 -0.197026685064E+04 0.83742E-04 -0.10673E-04 1824 0.138E-02 0.241E-02
DAV: 5 -0.197026683877E+04 0.11875E-04 -0.36796E-05 1600 0.951E-03 0.151E-02
DAV: 6 -0.197026681350E+04 0.25266E-04 -0.47062E-05 1496 0.167E-02 0.217E-02
DAV: 7 -0.197026680260E+04 0.10905E-04 -0.76872E-05 1856 0.118E-02 0.160E-02
DAV: 8 -0.197026678952E+04 0.13081E-04 -0.10164E-05 1288 0.119E-02 0.114E-02
DAV: 9 -0.197026678659E+04 0.29220E-05 -0.30883E-05 1592 0.855E-03
226 T= 4447. E= -.17857414E+04 F= -.19702668E+04 E0= -.19702479E+04 EK= 0.18453E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197053078683E+04 -0.26400E+00 -0.86879E-04 2726 0.686E-01 0.455E-02
DAV: 2 -0.197053091074E+04 -0.12391E-03 -0.17602E-03 2016 0.380E-02 0.814E-02
DAV: 3 -0.197053085243E+04 0.58304E-04 -0.36080E-04 2016 0.180E-02 0.486E-02
DAV: 4 -0.197053081891E+04 0.33524E-04 -0.46488E-05 1552 0.119E-02 0.278E-02
DAV: 5 -0.197053080297E+04 0.15942E-04 -0.42295E-05 1416 0.107E-02 0.240E-02
DAV: 6 -0.197053076794E+04 0.35029E-04 -0.66982E-05 1560 0.198E-02 0.185E-02
DAV: 7 -0.197053074789E+04 0.20050E-04 -0.71960E-05 1872 0.187E-02 0.133E-02
DAV: 8 -0.197053074674E+04 0.11485E-05 -0.44551E-05 1712 0.935E-03
227 T= 4454. E= -.17857415E+04 F= -.19705307E+04 E0= -.19705122E+04 EK= 0.18479E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197078276451E+04 -0.25202E+00 -0.80523E-04 2702 0.680E-01 0.444E-02
DAV: 2 -0.197078287676E+04 -0.11225E-03 -0.13766E-03 1992 0.320E-02 0.487E-02
DAV: 3 -0.197078287430E+04 0.24586E-05 -0.13685E-04 1918 0.115E-02 0.400E-02
DAV: 4 -0.197078286628E+04 0.80244E-05 -0.43005E-05 1200 0.682E-03
228 T= 4460. E= -.17857415E+04 F= -.19707829E+04 E0= -.19707645E+04 EK= 0.18504E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197102321065E+04 -0.24034E+00 -0.91692E-04 2720 0.681E-01 0.118E-01
DAV: 2 -0.197102495622E+04 -0.17456E-02 -0.52185E-03 2168 0.759E-02 0.439E-01
DAV: 3 -0.197102308559E+04 0.18706E-02 -0.23775E-03 2256 0.507E-02 0.698E-02
DAV: 4 -0.197102321738E+04 -0.13179E-03 -0.29903E-04 1776 0.153E-02 0.355E-02
DAV: 5 -0.197102320513E+04 0.12243E-04 -0.56505E-05 1560 0.889E-03 0.178E-02
DAV: 6 -0.197102320083E+04 0.43076E-05 -0.20872E-05 1208 0.673E-03
229 T= 4465. E= -.17857416E+04 F= -.19710232E+04 E0= -.19710056E+04 EK= 0.18528E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197125186739E+04 -0.22866E+00 -0.10182E-03 2528 0.683E-01 0.123E-01
DAV: 2 -0.197125373068E+04 -0.18633E-02 -0.71672E-03 2160 0.759E-02 0.429E-01
DAV: 3 -0.197125175106E+04 0.19796E-02 -0.36336E-03 2256 0.520E-02 0.588E-02
DAV: 4 -0.197125188046E+04 -0.12940E-03 -0.24270E-04 1784 0.139E-02 0.363E-02
DAV: 5 -0.197125187411E+04 0.63495E-05 -0.40416E-05 1456 0.760E-03
230 T= 4471. E= -.17857416E+04 F= -.19712519E+04 E0= -.19712347E+04 EK= 0.18551E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197146892671E+04 -0.21705E+00 -0.10902E-03 2782 0.683E-01 0.637E-02
DAV: 2 -0.197146945133E+04 -0.52462E-03 -0.31291E-03 1960 0.550E-02 0.196E-01
DAV: 3 -0.197146908281E+04 0.36852E-03 -0.62645E-04 2006 0.267E-02 0.537E-02
DAV: 4 -0.197146909097E+04 -0.81600E-05 -0.88708E-05 1728 0.111E-02
231 T= 4476. E= -.17857416E+04 F= -.19714691E+04 E0= -.19714525E+04 EK= 0.18573E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197167496151E+04 -0.20588E+00 -0.82360E-04 2600 0.685E-01 0.106E-01
DAV: 2 -0.197167518561E+04 -0.22410E-03 -0.50559E-03 1896 0.809E-02 0.964E-02
DAV: 3 -0.197167522234E+04 -0.36726E-04 -0.10797E-03 2032 0.317E-02 0.117E-01
DAV: 4 -0.197167506563E+04 0.15670E-03 -0.31614E-04 1984 0.183E-02 0.319E-02
DAV: 5 -0.197167506716E+04 -0.15225E-05 -0.69859E-05 1760 0.876E-03
232 T= 4481. E= -.17857416E+04 F= -.19716751E+04 E0= -.19716593E+04 EK= 0.18593E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197187003331E+04 -0.19497E+00 -0.89264E-04 2814 0.684E-01 0.107E-01
DAV: 2 -0.197187025639E+04 -0.22308E-03 -0.44503E-03 1904 0.796E-02 0.121E-01
DAV: 3 -0.197187027654E+04 -0.20145E-04 -0.89105E-04 2072 0.327E-02 0.136E-01
DAV: 4 -0.197187010121E+04 0.17532E-03 -0.28328E-04 1960 0.186E-02 0.268E-02
DAV: 5 -0.197187010962E+04 -0.84029E-05 -0.61359E-05 1632 0.799E-03
233 T= 4486. E= -.17857416E+04 F= -.19718701E+04 E0= -.19718550E+04 EK= 0.18613E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197205448004E+04 -0.18438E+00 -0.72559E-04 2318 0.685E-01 0.753E-02
DAV: 2 -0.197205467704E+04 -0.19701E-03 -0.24070E-03 1928 0.571E-02 0.108E-01
DAV: 3 -0.197205462929E+04 0.47749E-04 -0.41222E-04 2054 0.254E-02 0.865E-02
DAV: 4 -0.197205456592E+04 0.63375E-04 -0.15759E-04 1840 0.135E-02 0.234E-02
DAV: 5 -0.197205456572E+04 0.19692E-06 -0.33735E-05 1288 0.675E-03
234 T= 4490. E= -.17857416E+04 F= -.19720546E+04 E0= -.19720402E+04 EK= 0.18631E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197222874531E+04 -0.17418E+00 -0.57363E-04 1774 0.685E-01 0.698E-02
DAV: 2 -0.197222888985E+04 -0.14454E-03 -0.17515E-03 1944 0.446E-02 0.773E-02
DAV: 3 -0.197222887624E+04 0.13605E-04 -0.30934E-04 2000 0.203E-02 0.778E-02
DAV: 4 -0.197222881718E+04 0.59069E-04 -0.13564E-04 1720 0.124E-02 0.214E-02
DAV: 5 -0.197222881698E+04 0.19799E-06 -0.49079E-05 1512 0.793E-03
235 T= 4494. E= -.17857416E+04 F= -.19722288E+04 E0= -.19722153E+04 EK= 0.18649E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197239314778E+04 -0.16433E+00 -0.82390E-04 2406 0.687E-01 0.542E-02
DAV: 2 -0.197239341472E+04 -0.26695E-03 -0.18699E-03 2056 0.458E-02 0.122E-01
DAV: 3 -0.197239326798E+04 0.14675E-03 -0.37029E-04 2022 0.225E-02 0.491E-02
DAV: 4 -0.197239325681E+04 0.11166E-04 -0.80121E-05 1624 0.943E-03 0.221E-02
DAV: 5 -0.197239325365E+04 0.31639E-05 -0.15426E-05 1040 0.456E-03
236 T= 4498. E= -.17857416E+04 F= -.19723933E+04 E0= -.19723806E+04 EK= 0.18665E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197254817479E+04 -0.15492E+00 -0.11076E-03 2734 0.687E-01 0.515E-02
DAV: 2 -0.197254842048E+04 -0.24569E-03 -0.20148E-03 1984 0.470E-02 0.106E-01
DAV: 3 -0.197254831808E+04 0.10240E-03 -0.28659E-04 2014 0.214E-02 0.534E-02
DAV: 4 -0.197254829763E+04 0.20445E-04 -0.78556E-05 1624 0.960E-03 0.211E-02
DAV: 5 -0.197254829561E+04 0.20219E-05 -0.15195E-05 1024 0.473E-03
237 T= 4502. E= -.17857417E+04 F= -.19725483E+04 E0= -.19725366E+04 EK= 0.18681E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197269423843E+04 -0.14594E+00 -0.12338E-03 2742 0.688E-01 0.639E-02
DAV: 2 -0.197269451570E+04 -0.27727E-03 -0.29142E-03 1936 0.546E-02 0.110E-01
DAV: 3 -0.197269439470E+04 0.12101E-03 -0.68059E-04 1968 0.242E-02 0.614E-02
DAV: 4 -0.197269435552E+04 0.39181E-04 -0.14499E-04 1800 0.127E-02 0.254E-02
DAV: 5 -0.197269435151E+04 0.40097E-05 -0.28996E-05 1174 0.620E-03
238 T= 4506. E= -.17857417E+04 F= -.19726944E+04 E0= -.19726836E+04 EK= 0.18695E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197283175350E+04 -0.13740E+00 -0.69755E-04 1942 0.688E-01 0.692E-02
DAV: 2 -0.197283194143E+04 -0.18792E-03 -0.26437E-03 1936 0.579E-02 0.875E-02
DAV: 3 -0.197283188523E+04 0.56200E-04 -0.50288E-04 1982 0.244E-02 0.710E-02
DAV: 4 -0.197283183326E+04 0.51964E-04 -0.16409E-04 1784 0.125E-02 0.261E-02
DAV: 5 -0.197283183103E+04 0.22295E-05 -0.31144E-05 1224 0.613E-03
239 T= 4509. E= -.17857417E+04 F= -.19728318E+04 E0= -.19728219E+04 EK= 0.18709E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197296104893E+04 -0.12922E+00 -0.12093E-03 2734 0.687E-01 0.755E-02
DAV: 2 -0.197296126276E+04 -0.21383E-03 -0.29455E-03 1952 0.618E-02 0.981E-02
DAV: 3 -0.197296122744E+04 0.35320E-04 -0.48624E-04 2040 0.278E-02 0.842E-02
DAV: 4 -0.197296116179E+04 0.65654E-04 -0.20158E-04 1784 0.135E-02 0.236E-02
DAV: 5 -0.197296116125E+04 0.53550E-06 -0.32935E-05 1264 0.653E-03
240 T= 4512. E= -.17857417E+04 F= -.19729612E+04 E0= -.19729520E+04 EK= 0.18722E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197308263058E+04 -0.12147E+00 -0.98313E-04 2430 0.688E-01 0.747E-02
DAV: 2 -0.197308276271E+04 -0.13213E-03 -0.23886E-03 1944 0.561E-02 0.740E-02
DAV: 3 -0.197308277068E+04 -0.79670E-05 -0.40749E-04 2040 0.242E-02 0.855E-02
DAV: 4 -0.197308269861E+04 0.72064E-04 -0.19362E-04 1816 0.127E-02 0.192E-02
DAV: 5 -0.197308269872E+04 -0.10937E-06 -0.38354E-05 1336 0.714E-03
241 T= 4515. E= -.17857417E+04 F= -.19730827E+04 E0= -.19730743E+04 EK= 0.18734E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197319670478E+04 -0.11401E+00 -0.89379E-04 2206 0.689E-01 0.508E-02
DAV: 2 -0.197319686454E+04 -0.15976E-03 -0.19627E-03 1944 0.469E-02 0.692E-02
DAV: 3 -0.197319682944E+04 0.35100E-04 -0.23011E-04 1998 0.196E-02 0.496E-02
DAV: 4 -0.197319680599E+04 0.23456E-04 -0.74172E-05 1632 0.951E-03 0.197E-02
DAV: 5 -0.197319680449E+04 0.14932E-05 -0.22012E-05 1014 0.507E-03
242 T= 4518. E= -.17857417E+04 F= -.19731968E+04 E0= -.19731890E+04 EK= 0.18746E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197330364617E+04 -0.10684E+00 -0.13842E-03 2726 0.690E-01 0.436E-02
DAV: 2 -0.197330387993E+04 -0.23376E-03 -0.24975E-03 1976 0.477E-02 0.710E-02
DAV: 3 -0.197330383394E+04 0.45990E-04 -0.18009E-04 1984 0.184E-02 0.481E-02
DAV: 4 -0.197330381479E+04 0.19143E-04 -0.62577E-05 1600 0.856E-03 0.224E-02
DAV: 5 -0.197330381270E+04 0.20905E-05 -0.11695E-05 1008 0.420E-03
243 T= 4520. E= -.17857418E+04 F= -.19733038E+04 E0= -.19732965E+04 EK= 0.18756E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197340383498E+04 -0.10002E+00 -0.11309E-03 2580 0.690E-01 0.628E-02
DAV: 2 -0.197340414637E+04 -0.31139E-03 -0.33520E-03 1928 0.594E-02 0.107E-01
DAV: 3 -0.197340401986E+04 0.12651E-03 -0.65857E-04 1968 0.246E-02 0.635E-02
DAV: 4 -0.197340398165E+04 0.38205E-04 -0.17355E-04 1824 0.124E-02 0.287E-02
DAV: 5 -0.197340397955E+04 0.21090E-05 -0.16538E-05 1096 0.484E-03
244 T= 4523. E= -.17857418E+04 F= -.19734040E+04 E0= -.19733972E+04 EK= 0.18766E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197349743772E+04 -0.93456E-01 -0.97743E-04 2568 0.690E-01 0.924E-02
DAV: 2 -0.197349766035E+04 -0.22264E-03 -0.43377E-03 1920 0.771E-02 0.888E-02
DAV: 3 -0.197349762304E+04 0.37313E-04 -0.62191E-04 2022 0.313E-02 0.887E-02
DAV: 4 -0.197349754672E+04 0.76320E-04 -0.30842E-04 1944 0.147E-02 0.273E-02
DAV: 5 -0.197349754512E+04 0.16010E-05 -0.43643E-05 1480 0.703E-03
245 T= 4525. E= -.17857418E+04 F= -.19734975E+04 E0= -.19734912E+04 EK= 0.18776E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197358470340E+04 -0.87157E-01 -0.88675E-04 2380 0.690E-01 0.104E-01
DAV: 2 -0.197358490422E+04 -0.20082E-03 -0.44188E-03 1920 0.811E-02 0.110E-01
DAV: 3 -0.197358484972E+04 0.54494E-04 -0.80624E-04 2088 0.378E-02 0.933E-02
DAV: 4 -0.197358475600E+04 0.93723E-04 -0.27966E-04 2000 0.178E-02 0.323E-02
DAV: 5 -0.197358475354E+04 0.24590E-05 -0.87815E-05 1656 0.805E-03
246 T= 4527. E= -.17857418E+04 F= -.19735848E+04 E0= -.19735789E+04 EK= 0.18784E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197366574434E+04 -0.80988E-01 -0.11120E-03 2590 0.691E-01 0.871E-02
DAV: 2 -0.197366587803E+04 -0.13369E-03 -0.31152E-03 1928 0.666E-02 0.763E-02
DAV: 3 -0.197366587658E+04 0.14462E-05 -0.43722E-04 2048 0.299E-02 0.829E-02
DAV: 4 -0.197366580531E+04 0.71279E-04 -0.22175E-04 1904 0.145E-02 0.249E-02
DAV: 5 -0.197366580444E+04 0.86383E-06 -0.70399E-05 1472 0.721E-03
247 T= 4529. E= -.17857419E+04 F= -.19736658E+04 E0= -.19736601E+04 EK= 0.18792E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197374079615E+04 -0.74991E-01 -0.12018E-03 2550 0.691E-01 0.654E-02
DAV: 2 -0.197374098066E+04 -0.18451E-03 -0.25238E-03 1936 0.545E-02 0.806E-02
DAV: 3 -0.197374092675E+04 0.53910E-04 -0.63876E-04 1974 0.225E-02 0.567E-02
DAV: 4 -0.197374089151E+04 0.35240E-04 -0.23479E-04 1768 0.112E-02 0.212E-02
DAV: 5 -0.197374088863E+04 0.28782E-05 -0.26803E-05 1128 0.580E-03
248 T= 4531. E= -.17857419E+04 F= -.19737409E+04 E0= -.19737356E+04 EK= 0.18800E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197381009164E+04 -0.69200E-01 -0.13408E-03 2806 0.692E-01 0.555E-02
DAV: 2 -0.197381029501E+04 -0.20337E-03 -0.24790E-03 1960 0.513E-02 0.706E-02
DAV: 3 -0.197381025524E+04 0.39771E-04 -0.33188E-04 2016 0.208E-02 0.561E-02
DAV: 4 -0.197381022472E+04 0.30522E-04 -0.15526E-04 1712 0.984E-03 0.218E-02
DAV: 5 -0.197381022298E+04 0.17349E-05 -0.13343E-05 1032 0.445E-03
249 T= 4533. E= -.17857419E+04 F= -.19738102E+04 E0= -.19738052E+04 EK= 0.18807E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197387396334E+04 -0.63739E-01 -0.80207E-04 2134 0.692E-01 0.665E-02
DAV: 2 -0.197387414987E+04 -0.18653E-03 -0.24364E-03 1960 0.558E-02 0.960E-02
DAV: 3 -0.197387406244E+04 0.87432E-04 -0.39801E-04 2048 0.268E-02 0.580E-02
DAV: 4 -0.197387402924E+04 0.33194E-04 -0.14365E-04 1824 0.123E-02 0.249E-02
DAV: 5 -0.197387402458E+04 0.46642E-05 -0.47233E-05 1144 0.607E-03
250 T= 4534. E= -.17857419E+04 F= -.19738740E+04 E0= -.19738694E+04 EK= 0.18813E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197393245476E+04 -0.58426E-01 -0.83260E-04 2294 0.692E-01 0.670E-02
DAV: 2 -0.197393262804E+04 -0.17328E-03 -0.24964E-03 1920 0.557E-02 0.774E-02
DAV: 3 -0.197393259239E+04 0.35651E-04 -0.27894E-04 2078 0.249E-02 0.673E-02
DAV: 4 -0.197393254808E+04 0.44312E-04 -0.15325E-04 1880 0.120E-02 0.229E-02
DAV: 5 -0.197393254619E+04 0.18846E-05 -0.46363E-05 1344 0.663E-03
251 T= 4536. E= -.17857420E+04 F= -.19739325E+04 E0= -.19739281E+04 EK= 0.18819E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197398599633E+04 -0.53448E-01 -0.12208E-03 2734 0.693E-01 0.592E-02
DAV: 2 -0.197398631219E+04 -0.31586E-03 -0.32808E-03 1928 0.568E-02 0.109E-01
DAV: 3 -0.197398615734E+04 0.15485E-03 -0.82812E-04 1936 0.242E-02 0.511E-02
DAV: 4 -0.197398613653E+04 0.20809E-04 -0.12806E-04 1784 0.108E-02 0.279E-02
DAV: 5 -0.197398613329E+04 0.32427E-05 -0.13076E-05 1056 0.457E-03
252 T= 4537. E= -.17857420E+04 F= -.19739861E+04 E0= -.19739821E+04 EK= 0.18824E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197403497840E+04 -0.48842E-01 -0.11236E-03 2822 0.694E-01 0.780E-02
DAV: 2 -0.197403531741E+04 -0.33901E-03 -0.41496E-03 1936 0.696E-02 0.108E-01
DAV: 3 -0.197403518432E+04 0.13309E-03 -0.81511E-04 1984 0.295E-02 0.731E-02
DAV: 4 -0.197403513597E+04 0.48347E-04 -0.26034E-04 1880 0.141E-02 0.320E-02
DAV: 5 -0.197403513115E+04 0.48288E-05 -0.23283E-05 1240 0.617E-03
253 T= 4538. E= -.17857420E+04 F= -.19740351E+04 E0= -.19740315E+04 EK= 0.18829E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197407983132E+04 -0.44695E-01 -0.11619E-03 2830 0.695E-01 0.102E-01
DAV: 2 -0.197408019937E+04 -0.36804E-03 -0.57280E-03 1912 0.876E-02 0.128E-01
DAV: 3 -0.197408009514E+04 0.10422E-03 -0.72830E-04 2070 0.397E-02 0.100E-01
DAV: 4 -0.197407999099E+04 0.10416E-03 -0.29521E-04 1984 0.187E-02 0.329E-02
DAV: 5 -0.197407998862E+04 0.23618E-05 -0.79935E-05 1720 0.846E-03
254 T= 4539. E= -.17857420E+04 F= -.19740800E+04 E0= -.19740767E+04 EK= 0.18834E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197412118949E+04 -0.41199E-01 -0.11598E-03 2766 0.694E-01 0.106E-01
DAV: 2 -0.197412142212E+04 -0.23263E-03 -0.52502E-03 1920 0.855E-02 0.927E-02
DAV: 3 -0.197412140008E+04 0.22042E-04 -0.57589E-04 2136 0.366E-02 0.967E-02
DAV: 4 -0.197412130528E+04 0.94798E-04 -0.23376E-04 2024 0.169E-02 0.298E-02
DAV: 5 -0.197412130351E+04 0.17777E-05 -0.73744E-05 1680 0.811E-03
255 T= 4540. E= -.17857420E+04 F= -.19741213E+04 E0= -.19741183E+04 EK= 0.18838E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197415964406E+04 -0.38339E-01 -0.12784E-03 2766 0.694E-01 0.891E-02
DAV: 2 -0.197415988550E+04 -0.24144E-03 -0.43671E-03 1928 0.733E-02 0.930E-02
DAV: 3 -0.197415980041E+04 0.85084E-04 -0.10474E-03 1952 0.301E-02 0.627E-02
DAV: 4 -0.197415975303E+04 0.47376E-04 -0.26766E-04 1880 0.142E-02 0.261E-02
DAV: 5 -0.197415974839E+04 0.46498E-05 -0.29358E-05 1280 0.670E-03
256 T= 4541. E= -.17857420E+04 F= -.19741597E+04 E0= -.19741573E+04 EK= 0.18842E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197419598636E+04 -0.36233E-01 -0.82452E-04 2566 0.695E-01 0.768E-02
DAV: 2 -0.197419616969E+04 -0.18333E-03 -0.32060E-03 1928 0.638E-02 0.776E-02
DAV: 3 -0.197419612380E+04 0.45890E-04 -0.59698E-04 2032 0.263E-02 0.660E-02
DAV: 4 -0.197419608086E+04 0.42937E-04 -0.19535E-04 1896 0.126E-02 0.263E-02
DAV: 5 -0.197419607586E+04 0.50027E-05 -0.21093E-05 1152 0.627E-03
257 T= 4542. E= -.17857420E+04 F= -.19741961E+04 E0= -.19741940E+04 EK= 0.18845E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197423106704E+04 -0.34986E-01 -0.73000E-04 2494 0.695E-01 0.758E-02
DAV: 2 -0.197423128400E+04 -0.21696E-03 -0.32558E-03 1936 0.639E-02 0.939E-02
DAV: 3 -0.197423123196E+04 0.52042E-04 -0.40381E-04 2134 0.287E-02 0.752E-02
DAV: 4 -0.197423117147E+04 0.60486E-04 -0.14165E-04 1920 0.142E-02 0.246E-02
DAV: 5 -0.197423116859E+04 0.28807E-05 -0.47645E-05 1416 0.678E-03
258 T= 4543. E= -.17857419E+04 F= -.19742312E+04 E0= -.19742296E+04 EK= 0.18849E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197426591241E+04 -0.34741E-01 -0.79871E-04 2342 0.697E-01 0.694E-02
DAV: 2 -0.197426609426E+04 -0.18186E-03 -0.29789E-03 1928 0.604E-02 0.759E-02
DAV: 3 -0.197426605965E+04 0.34619E-04 -0.27594E-04 2096 0.259E-02 0.711E-02
DAV: 4 -0.197426600824E+04 0.51408E-04 -0.11444E-04 1968 0.126E-02 0.245E-02
DAV: 5 -0.197426600157E+04 0.66690E-05 -0.35689E-05 1480 0.727E-03
259 T= 4544. E= -.17857419E+04 F= -.19742660E+04 E0= -.19742650E+04 EK= 0.18852E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197430137667E+04 -0.35368E-01 -0.12484E-03 2822 0.697E-01 0.585E-02
DAV: 2 -0.197430168691E+04 -0.31024E-03 -0.37921E-03 1928 0.593E-02 0.957E-02
DAV: 3 -0.197430156361E+04 0.12330E-03 -0.70971E-04 1966 0.238E-02 0.489E-02
DAV: 4 -0.197430155021E+04 0.13398E-04 -0.82416E-05 1768 0.981E-03 0.305E-02
DAV: 5 -0.197430154545E+04 0.47601E-05 -0.96618E-06 1040 0.464E-03
260 T= 4544. E= -.17857419E+04 F= -.19743015E+04 E0= -.19743012E+04 EK= 0.18856E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197433858595E+04 -0.37036E-01 -0.10619E-03 2854 0.698E-01 0.791E-02
DAV: 2 -0.197433898269E+04 -0.39674E-03 -0.51915E-03 1920 0.738E-02 0.110E-01
DAV: 3 -0.197433883975E+04 0.14295E-03 -0.85845E-04 1982 0.295E-02 0.690E-02
DAV: 4 -0.197433880209E+04 0.37655E-04 -0.16158E-04 1872 0.140E-02 0.347E-02
DAV: 5 -0.197433879510E+04 0.69925E-05 -0.22799E-05 1192 0.632E-03
261 T= 4545. E= -.17857419E+04 F= -.19743388E+04 E0= -.19743391E+04 EK= 0.18860E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197437835542E+04 -0.39553E-01 -0.13117E-03 2862 0.698E-01 0.980E-02
DAV: 2 -0.197437884203E+04 -0.48661E-03 -0.72402E-03 1904 0.924E-02 0.117E-01
DAV: 3 -0.197437875355E+04 0.88483E-04 -0.64194E-04 2160 0.373E-02 0.104E-01
DAV: 4 -0.197437864985E+04 0.10370E-03 -0.22354E-04 1976 0.180E-02 0.389E-02
DAV: 5 -0.197437863978E+04 0.10075E-04 -0.55543E-05 1736 0.955E-03 0.261E-02
DAV: 6 -0.197437862081E+04 0.18971E-04 -0.47594E-05 1704 0.113E-02 0.128E-02
DAV: 7 -0.197437861436E+04 0.64538E-05 -0.40882E-05 1472 0.946E-03
262 T= 4546. E= -.17857418E+04 F= -.19743786E+04 E0= -.19743797E+04 EK= 0.18864E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197442161526E+04 -0.42994E-01 -0.13506E-03 2854 0.699E-01 0.437E-02
DAV: 2 -0.197442199221E+04 -0.37695E-03 -0.40406E-03 1920 0.590E-02 0.938E-02
DAV: 3 -0.197442190125E+04 0.90960E-04 -0.19524E-04 2072 0.209E-02 0.635E-02
DAV: 4 -0.197442188877E+04 0.12479E-04 -0.45523E-05 1664 0.804E-03 0.503E-02
DAV: 5 -0.197442185376E+04 0.35011E-04 -0.54377E-05 1664 0.120E-02 0.369E-02
DAV: 6 -0.197442182616E+04 0.27598E-04 -0.13768E-04 1912 0.163E-02 0.182E-02
DAV: 7 -0.197442182171E+04 0.44544E-05 -0.45520E-05 1568 0.963E-03
263 T= 4547. E= -.17857419E+04 F= -.19744218E+04 E0= -.19744236E+04 EK= 0.18868E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197446890443E+04 -0.47078E-01 -0.85251E-04 2766 0.701E-01 0.466E-02
DAV: 2 -0.197446899588E+04 -0.91455E-04 -0.16439E-03 2008 0.358E-02 0.634E-02
DAV: 3 -0.197446897057E+04 0.25312E-04 -0.13013E-04 1918 0.140E-02 0.435E-02
DAV: 4 -0.197446895686E+04 0.13715E-04 -0.14790E-04 1880 0.174E-02 0.488E-02
DAV: 5 -0.197446893814E+04 0.18714E-04 -0.12577E-04 1926 0.125E-02 0.251E-02
DAV: 6 -0.197446893113E+04 0.70147E-05 -0.44258E-05 1168 0.626E-03
264 T= 4548. E= -.17857419E+04 F= -.19744689E+04 E0= -.19744714E+04 EK= 0.18873E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197452020357E+04 -0.51265E-01 -0.89755E-04 2582 0.699E-01 0.412E-02
DAV: 2 -0.197452026097E+04 -0.57400E-04 -0.10392E-03 2024 0.293E-02 0.399E-02
DAV: 3 -0.197452025260E+04 0.83714E-05 -0.14772E-04 1960 0.157E-02 0.312E-02
DAV: 4 -0.197452025344E+04 -0.83901E-06 -0.99184E-05 1904 0.139E-02
265 T= 4550. E= -.17857419E+04 F= -.19745203E+04 E0= -.19745237E+04 EK= 0.18878E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197457567928E+04 -0.55427E-01 -0.88023E-04 2620 0.699E-01 0.441E-02
DAV: 2 -0.197457576766E+04 -0.88372E-04 -0.14291E-03 2032 0.333E-02 0.513E-02
DAV: 3 -0.197457573787E+04 0.29789E-04 -0.33168E-04 1936 0.151E-02 0.234E-02
DAV: 4 -0.197457573927E+04 -0.14016E-05 -0.50903E-05 1520 0.979E-03
266 T= 4551. E= -.17857420E+04 F= -.19745757E+04 E0= -.19745796E+04 EK= 0.18883E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197463486598E+04 -0.59128E-01 -0.13245E-03 2686 0.699E-01 0.461E-02
DAV: 2 -0.197463500526E+04 -0.13929E-03 -0.18282E-03 2024 0.349E-02 0.676E-02
DAV: 3 -0.197463494942E+04 0.55847E-04 -0.32565E-04 1992 0.170E-02 0.360E-02
DAV: 4 -0.197463494415E+04 0.52721E-05 -0.71455E-05 1680 0.101E-02
267 T= 4552. E= -.17857421E+04 F= -.19746349E+04 E0= -.19746391E+04 EK= 0.18889E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197469693603E+04 -0.61987E-01 -0.80579E-04 2726 0.699E-01 0.401E-02
DAV: 2 -0.197469711399E+04 -0.17797E-03 -0.19655E-03 1992 0.373E-02 0.700E-02
DAV: 3 -0.197469705553E+04 0.58464E-04 -0.30548E-04 1960 0.165E-02 0.393E-02
DAV: 4 -0.197469704484E+04 0.10686E-04 -0.36432E-05 1456 0.762E-03 0.211E-02
DAV: 5 -0.197469704074E+04 0.40980E-05 -0.29436E-05 1136 0.739E-03
268 T= 4554. E= -.17857421E+04 F= -.19746970E+04 E0= -.19747013E+04 EK= 0.18895E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197476073584E+04 -0.63691E-01 -0.87362E-04 2654 0.700E-01 0.348E-02
DAV: 2 -0.197476093143E+04 -0.19559E-03 -0.23086E-03 1936 0.441E-02 0.539E-02
DAV: 3 -0.197476089219E+04 0.39244E-04 -0.15146E-04 1912 0.146E-02 0.345E-02
DAV: 4 -0.197476088822E+04 0.39702E-05 -0.22308E-05 1208 0.554E-03
269 T= 4555. E= -.17857422E+04 F= -.19747609E+04 E0= -.19747653E+04 EK= 0.18902E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197482484387E+04 -0.63952E-01 -0.65792E-04 2614 0.699E-01 0.962E-02
DAV: 2 -0.197482522243E+04 -0.37856E-03 -0.41046E-03 1944 0.745E-02 0.177E-01
DAV: 3 -0.197482498628E+04 0.23615E-03 -0.96769E-04 2040 0.362E-02 0.997E-02
DAV: 4 -0.197482489198E+04 0.94302E-04 -0.18174E-04 1976 0.189E-02 0.268E-02
DAV: 5 -0.197482488813E+04 0.38512E-05 -0.72668E-05 1776 0.920E-03
270 T= 4557. E= -.17857424E+04 F= -.19748249E+04 E0= -.19748295E+04 EK= 0.18908E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197488709354E+04 -0.62202E-01 -0.12531E-03 2822 0.699E-01 0.960E-02
DAV: 2 -0.197488763864E+04 -0.54510E-03 -0.46505E-03 1952 0.777E-02 0.198E-01
DAV: 3 -0.197488728643E+04 0.35221E-03 -0.97832E-04 2080 0.381E-02 0.896E-02
DAV: 4 -0.197488722799E+04 0.58434E-04 -0.17082E-04 1912 0.180E-02 0.232E-02
DAV: 5 -0.197488722842E+04 -0.42116E-06 -0.53117E-05 1688 0.828E-03
271 T= 4559. E= -.17857425E+04 F= -.19748872E+04 E0= -.19748921E+04 EK= 0.18914E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197494587492E+04 -0.58647E-01 -0.14521E-03 2838 0.701E-01 0.618E-02
DAV: 2 -0.197494616111E+04 -0.28619E-03 -0.33612E-03 1952 0.583E-02 0.106E-01
DAV: 3 -0.197494609642E+04 0.64692E-04 -0.43179E-04 2046 0.250E-02 0.749E-02
DAV: 4 -0.197494604032E+04 0.56098E-04 -0.10345E-04 1848 0.132E-02 0.212E-02
DAV: 5 -0.197494603731E+04 0.30105E-05 -0.40647E-05 1400 0.666E-03
272 T= 4560. E= -.17857426E+04 F= -.19749460E+04 E0= -.19749511E+04 EK= 0.18920E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197499913045E+04 -0.53090E-01 -0.84091E-04 2702 0.701E-01 0.422E-02
DAV: 2 -0.197499929393E+04 -0.16349E-03 -0.23087E-03 1936 0.456E-02 0.447E-02
DAV: 3 -0.197499926554E+04 0.28397E-04 -0.11616E-04 2032 0.164E-02 0.360E-02
DAV: 4 -0.197499925748E+04 0.80514E-05 -0.31989E-05 1336 0.687E-03
273 T= 4561. E= -.17857428E+04 F= -.19749993E+04 E0= -.19750047E+04 EK= 0.18926E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197504473704E+04 -0.45472E-01 -0.68190E-04 2686 0.701E-01 0.691E-02
DAV: 2 -0.197504494008E+04 -0.20305E-03 -0.34527E-03 1928 0.610E-02 0.668E-02
DAV: 3 -0.197504490839E+04 0.31692E-04 -0.39597E-04 2000 0.231E-02 0.630E-02
DAV: 4 -0.197504487424E+04 0.34152E-04 -0.80769E-05 1824 0.107E-02 0.251E-02
DAV: 5 -0.197504487114E+04 0.30974E-05 -0.21246E-05 1048 0.530E-03
274 T= 4562. E= -.17857429E+04 F= -.19750449E+04 E0= -.19750505E+04 EK= 0.18930E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197508095050E+04 -0.36076E-01 -0.78033E-04 2678 0.701E-01 0.821E-02
DAV: 2 -0.197508116035E+04 -0.20985E-03 -0.41462E-03 1928 0.711E-02 0.756E-02
DAV: 3 -0.197508116691E+04 -0.65584E-05 -0.50173E-04 2080 0.283E-02 0.931E-02
DAV: 4 -0.197508108162E+04 0.85291E-04 -0.13871E-04 1920 0.139E-02 0.252E-02
DAV: 5 -0.197508108161E+04 0.13257E-07 -0.32514E-05 1432 0.668E-03
275 T= 4563. E= -.17857430E+04 F= -.19750811E+04 E0= -.19750870E+04 EK= 0.18934E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197510618419E+04 -0.25103E-01 -0.81813E-04 2742 0.702E-01 0.747E-02
DAV: 2 -0.197510636513E+04 -0.18094E-03 -0.38115E-03 1912 0.667E-02 0.570E-02
DAV: 3 -0.197510633174E+04 0.33390E-04 -0.29534E-04 2136 0.248E-02 0.546E-02
DAV: 4 -0.197510630850E+04 0.23243E-04 -0.77804E-05 1784 0.101E-02 0.252E-02
DAV: 5 -0.197510629685E+04 0.11647E-04 -0.21487E-05 1192 0.682E-03 0.160E-02
DAV: 6 -0.197510628049E+04 0.16364E-04 -0.50641E-05 1712 0.114E-02 0.929E-03
DAV: 7 -0.197510627178E+04 0.87027E-05 -0.35614E-05 1368 0.113E-02
276 T= 4564. E= -.17857432E+04 F= -.19751063E+04 E0= -.19751124E+04 EK= 0.18936E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197511906784E+04 -0.12787E-01 -0.10776E-03 2686 0.704E-01 0.238E-02
DAV: 2 -0.197511924002E+04 -0.17218E-03 -0.19077E-03 1968 0.363E-02 0.501E-02
DAV: 3 -0.197511921792E+04 0.22101E-04 -0.78018E-05 1726 0.108E-02 0.378E-02
DAV: 4 -0.197511921604E+04 0.18813E-05 -0.85498E-06 1056 0.355E-03
277 T= 4564. E= -.17857433E+04 F= -.19751192E+04 E0= -.19751256E+04 EK= 0.18938E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197511888635E+04 0.33157E-03 -0.96279E-04 2792 0.703E-01 0.839E-02
DAV: 2 -0.197511961592E+04 -0.72956E-03 -0.55459E-03 1928 0.722E-02 0.235E-01
DAV: 3 -0.197511904267E+04 0.57325E-03 -0.11693E-03 2032 0.370E-02 0.845E-02
DAV: 4 -0.197511899597E+04 0.46699E-04 -0.36664E-04 1840 0.170E-02 0.366E-02
DAV: 5 -0.197511897891E+04 0.17054E-04 -0.88416E-05 1808 0.982E-03 0.231E-02
DAV: 6 -0.197511893836E+04 0.40555E-04 -0.84667E-05 1768 0.140E-02 0.121E-02
DAV: 7 -0.197511892472E+04 0.13635E-04 -0.41412E-05 1648 0.112E-02 0.158E-02
DAV: 8 -0.197511891471E+04 0.10018E-04 -0.16061E-05 1296 0.899E-03 0.142E-02
DAV: 9 -0.197511891003E+04 0.46723E-05 -0.24064E-05 1360 0.842E-03
278 T= 4564. E= -.17857433E+04 F= -.19751189E+04 E0= -.19751255E+04 EK= 0.18938E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197510501852E+04 0.13896E-01 -0.10199E-03 2646 0.704E-01 0.815E-02
DAV: 2 -0.197510561207E+04 -0.59354E-03 -0.34848E-03 1992 0.595E-02 0.241E-01
DAV: 3 -0.197510506542E+04 0.54665E-03 -0.10675E-03 2040 0.331E-02 0.639E-02
DAV: 4 -0.197510506148E+04 0.39389E-05 -0.35658E-04 1752 0.145E-02 0.314E-02
DAV: 5 -0.197510504192E+04 0.19564E-04 -0.11820E-04 1664 0.986E-03 0.172E-02
DAV: 6 -0.197510501408E+04 0.27834E-04 -0.58534E-05 1768 0.131E-02 0.143E-02
DAV: 7 -0.197510500456E+04 0.95177E-05 -0.23201E-05 1360 0.862E-03
279 T= 4564. E= -.17857433E+04 F= -.19751050E+04 E0= -.19751119E+04 EK= 0.18936E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197507730127E+04 0.27713E-01 -0.51056E-04 2222 0.703E-01 0.315E-02
DAV: 2 -0.197507744546E+04 -0.14419E-03 -0.11635E-03 1968 0.286E-02 0.833E-02
DAV: 3 -0.197507738669E+04 0.58772E-04 -0.98729E-05 1784 0.108E-02 0.336E-02
DAV: 4 -0.197507738766E+04 -0.97067E-06 -0.12460E-05 1104 0.360E-03
280 T= 4563. E= -.17857433E+04 F= -.19750774E+04 E0= -.19750846E+04 EK= 0.18933E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197503635035E+04 0.41036E-01 -0.89564E-04 2518 0.704E-01 0.748E-02
DAV: 2 -0.197503655364E+04 -0.20329E-03 -0.37158E-03 1936 0.516E-02 0.829E-02
DAV: 3 -0.197503644967E+04 0.10398E-03 -0.15040E-03 1918 0.239E-02 0.339E-02
DAV: 4 -0.197503643784E+04 0.11822E-04 -0.12835E-04 1728 0.111E-02 0.196E-02
DAV: 5 -0.197503644133E+04 -0.34817E-05 -0.28189E-05 1088 0.635E-03
281 T= 4562. E= -.17857433E+04 F= -.19750364E+04 E0= -.19750435E+04 EK= 0.18929E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197498280242E+04 0.53635E-01 -0.69674E-04 2598 0.703E-01 0.725E-02
DAV: 2 -0.197498306769E+04 -0.26527E-03 -0.43701E-03 1968 0.500E-02 0.968E-02
DAV: 3 -0.197498292703E+04 0.14066E-03 -0.16975E-03 1968 0.240E-02 0.426E-02
DAV: 4 -0.197498291815E+04 0.88829E-05 -0.10622E-04 1760 0.112E-02 0.355E-02
DAV: 5 -0.197498290926E+04 0.88881E-05 -0.39307E-05 1176 0.789E-03
282 T= 4561. E= -.17857432E+04 F= -.19749829E+04 E0= -.19749909E+04 EK= 0.18924E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197491777075E+04 0.65147E-01 -0.94419E-04 2814 0.703E-01 0.382E-02
DAV: 2 -0.197491801305E+04 -0.24230E-03 -0.27765E-03 1920 0.454E-02 0.760E-02
DAV: 3 -0.197491795294E+04 0.60108E-04 -0.36754E-04 1942 0.176E-02 0.515E-02
DAV: 4 -0.197491793724E+04 0.15698E-04 -0.38229E-05 1400 0.704E-03 0.323E-02
DAV: 5 -0.197491793141E+04 0.58325E-05 -0.15403E-05 984 0.505E-03
283 T= 4559. E= -.17857432E+04 F= -.19749179E+04 E0= -.19749257E+04 EK= 0.18917E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197484261184E+04 0.75325E-01 -0.11308E-03 2870 0.706E-01 0.573E-02
DAV: 2 -0.197484304442E+04 -0.43258E-03 -0.52218E-03 1904 0.687E-02 0.928E-02
DAV: 3 -0.197484293156E+04 0.11287E-03 -0.44221E-04 1944 0.257E-02 0.639E-02
DAV: 4 -0.197484292248E+04 0.90741E-05 -0.62321E-05 1744 0.879E-03
284 T= 4557. E= -.17857431E+04 F= -.19748429E+04 E0= -.19748512E+04 EK= 0.18910E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197475952837E+04 0.83403E-01 -0.11444E-03 2862 0.706E-01 0.176E-01
DAV: 2 -0.197475988222E+04 -0.35384E-03 -0.10910E-02 1912 0.124E-01 0.202E-01
DAV: 3 -0.197476006958E+04 -0.18737E-03 -0.37876E-03 2104 0.569E-02 0.242E-01
DAV: 4 -0.197475946733E+04 0.60225E-03 -0.82619E-04 2128 0.337E-02 0.414E-02
DAV: 5 -0.197475948760E+04 -0.20267E-04 -0.23248E-04 1840 0.152E-02 0.191E-02
DAV: 6 -0.197475948451E+04 0.30930E-05 -0.57497E-05 1296 0.823E-03
285 T= 4555. E= -.17857429E+04 F= -.19747595E+04 E0= -.19747674E+04 EK= 0.18902E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197466960506E+04 0.89883E-01 -0.72023E-04 2830 0.704E-01 0.159E-01
DAV: 2 -0.197466989983E+04 -0.29477E-03 -0.80100E-03 1920 0.110E-01 0.214E-01
DAV: 3 -0.197466983147E+04 0.68359E-04 -0.29313E-03 2048 0.533E-02 0.207E-01
DAV: 4 -0.197466942279E+04 0.40867E-03 -0.62998E-04 2064 0.289E-02 0.388E-02
DAV: 5 -0.197466941257E+04 0.10229E-04 -0.16965E-04 1912 0.132E-02 0.253E-02
DAV: 6 -0.197466939708E+04 0.15488E-04 -0.15967E-05 1184 0.557E-03 0.249E-02
DAV: 7 -0.197466940009E+04 -0.30131E-05 -0.34723E-06 960 0.214E-03
286 T= 4553. E= -.17857426E+04 F= -.19746694E+04 E0= -.19746754E+04 EK= 0.18893E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197457423877E+04 0.95158E-01 0.21284E-03 2384 0.714E-01 0.893E-02
DAV: 2 -0.197457410819E+04 0.13058E-03 -0.24650E-03 1968 0.580E-02 0.991E-02
DAV: 3 -0.197457401599E+04 0.92206E-04 -0.12293E-03 2016 0.293E-02 0.970E-02
DAV: 4 -0.197457382099E+04 0.19500E-03 -0.20057E-04 1992 0.224E-02 0.553E-02
DAV: 5 -0.197457372332E+04 0.97662E-04 -0.16153E-04 1816 0.148E-02 0.394E-02
DAV: 6 -0.197457349866E+04 0.22466E-03 -0.11082E-04 1928 0.257E-02 0.374E-02
DAV: 7 -0.197457296506E+04 0.53360E-03 -0.15734E-03 2472 0.113E-01 0.439E-02
DAV: 8 -0.197457306091E+04 -0.95855E-04 -0.11881E-03 1792 0.291E-02 0.450E-02
DAV: 9 -0.197457307176E+04 -0.10846E-04 -0.22137E-04 1960 0.323E-02 0.367E-02
DAV: 10 -0.197457304203E+04 0.29725E-04 -0.13529E-04 1832 0.174E-02 0.180E-02
DAV: 11 -0.197457301916E+04 0.22875E-04 -0.39590E-05 1648 0.166E-02 0.109E-02
DAV: 12 -0.197457301594E+04 0.32197E-05 -0.29039E-05 1560 0.794E-03
287 T= 4551. E= -.17857407E+04 F= -.19745730E+04 E0= -.19745729E+04 EK= 0.18883E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197448890591E+04 0.84113E-01 0.35902E-03 2696 0.912E-01 0.269E-01
DAV: 2 -0.197448178562E+04 0.71203E-02 -0.89342E-03 2320 0.158E-01 0.333E-01
DAV: 3 -0.197448119850E+04 0.58712E-03 -0.75114E-03 1984 0.874E-02 0.381E-01
DAV: 4 -0.197447741148E+04 0.37870E-02 -0.57345E-03 2584 0.147E-01 0.147E-01
DAV: 5 -0.197447700056E+04 0.41092E-03 -0.61754E-03 1896 0.715E-02 0.132E-01
DAV: 6 -0.197447649435E+04 0.50622E-03 -0.18707E-03 1976 0.436E-02 0.614E-02
DAV: 7 -0.197447607797E+04 0.41638E-03 -0.36064E-04 2104 0.500E-02 0.319E-02
DAV: 8 -0.197447594529E+04 0.13267E-03 -0.36806E-04 2120 0.405E-02 0.294E-02
DAV: 9 -0.197447593991E+04 0.53880E-05 -0.28181E-04 1848 0.210E-02 0.343E-02
DAV: 10 -0.197447592104E+04 0.18862E-04 -0.29655E-05 1432 0.923E-03 0.202E-02
DAV: 11 -0.197447590301E+04 0.18030E-04 -0.28923E-05 1480 0.124E-02 0.881E-03
DAV: 12 -0.197447590044E+04 0.25762E-05 -0.21269E-05 1448 0.781E-03
288 T= 4549. E= -.17857406E+04 F= -.19744759E+04 E0= -.19744761E+04 EK= 0.18874E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197438045612E+04 0.95447E-01 0.40277E-04 2390 0.754E-01 0.513E-02
DAV: 2 -0.197438025841E+04 0.19771E-03 -0.14191E-03 1992 0.374E-02 0.613E-02
DAV: 3 -0.197438022638E+04 0.32029E-04 -0.15386E-04 1864 0.121E-02 0.577E-02
DAV: 4 -0.197438020918E+04 0.17200E-04 -0.53994E-06 1168 0.286E-03 0.577E-02
DAV: 5 -0.197438021067E+04 -0.14870E-05 -0.11088E-06 1024 0.110E-03
289 T= 4546. E= -.17857421E+04 F= -.19743802E+04 E0= -.19743847E+04 EK= 0.18864E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197431083752E+04 0.69372E-01 0.14590E-02 2776 0.862E-01 0.132E+00
DAV: 2 -0.197431696964E+04 -0.61321E-02 -0.15320E+00 2544 0.754E-01 0.189E+00
DAV: 3 -0.197433539246E+04 -0.18423E-01 -0.39382E-01 2200 0.456E-01 0.167E+00
DAV: 4 -0.197428938665E+04 0.46006E-01 -0.36953E-02 2176 0.262E-01 0.665E-01
DAV: 5 -0.197428579697E+04 0.35897E-02 -0.48449E-02 1968 0.134E-01 0.394E-01
DAV: 6 -0.197428382595E+04 0.19710E-02 -0.16826E-02 1880 0.984E-02 0.261E-01
DAV: 7 -0.197428297914E+04 0.84681E-03 -0.62160E-03 1920 0.575E-02 0.142E-01
DAV: 8 -0.197428275729E+04 0.22185E-03 -0.97255E-04 2008 0.343E-02 0.130E-01
DAV: 9 -0.197428276039E+04 -0.31026E-05 -0.35517E-04 1976 0.261E-02 0.112E-01
DAV: 10 -0.197428268457E+04 0.75823E-04 -0.32375E-04 1888 0.230E-02 0.897E-02
DAV: 11 -0.197428252667E+04 0.15789E-03 -0.37405E-04 1872 0.262E-02 0.363E-02
DAV: 12 -0.197428252800E+04 -0.13265E-05 -0.13152E-04 1896 0.124E-02 0.158E-02
DAV: 13 -0.197428252327E+04 0.47320E-05 -0.86905E-06 1144 0.508E-03
290 T= 4544. E= -.17857400E+04 F= -.19742825E+04 E0= -.19742835E+04 EK= 0.18854E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197421389904E+04 0.68629E-01 0.33465E-03 2606 0.106E+00 0.367E-01
DAV: 2 -0.197420121398E+04 0.12685E-01 -0.15289E-02 2536 0.229E-01 0.482E-01
DAV: 3 -0.197419940157E+04 0.18124E-02 -0.13741E-02 1936 0.118E-01 0.451E-01
DAV: 4 -0.197419314277E+04 0.62588E-02 -0.14944E-02 2552 0.203E-01 0.255E-01
DAV: 5 -0.197419196530E+04 0.11775E-02 -0.13669E-02 1896 0.926E-02 0.164E-01
DAV: 6 -0.197419109651E+04 0.86878E-03 -0.15222E-03 1928 0.520E-02 0.848E-02
DAV: 7 -0.197419018019E+04 0.91632E-03 -0.80082E-04 2248 0.884E-02 0.459E-02
DAV: 8 -0.197419008237E+04 0.97823E-04 -0.92211E-04 1912 0.468E-02 0.498E-02
DAV: 9 -0.197419007376E+04 0.86091E-05 -0.36528E-04 1888 0.235E-02 0.469E-02
DAV: 10 -0.197419002685E+04 0.46906E-04 -0.62171E-05 1744 0.133E-02 0.249E-02
DAV: 11 -0.197419000298E+04 0.23871E-04 -0.78113E-05 1792 0.158E-02 0.157E-02
DAV: 12 -0.197418999826E+04 0.47169E-05 -0.43055E-05 1560 0.915E-03
291 T= 4542. E= -.17857399E+04 F= -.19741900E+04 E0= -.19741912E+04 EK= 0.18845E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197410400269E+04 0.86000E-01 -0.23050E-04 2676 0.732E-01 0.767E-02
DAV: 2 -0.197410355438E+04 0.44831E-03 -0.12995E-03 2048 0.470E-02 0.846E-02
DAV: 3 -0.197410340123E+04 0.15315E-03 -0.35267E-04 1912 0.217E-02 0.733E-02
DAV: 4 -0.197410282279E+04 0.57844E-03 -0.47883E-04 2592 0.604E-02 0.573E-02
DAV: 5 -0.197410259541E+04 0.22739E-03 -0.13511E-03 2064 0.565E-02 0.593E-02
DAV: 6 -0.197410255921E+04 0.36193E-04 -0.80747E-04 1888 0.248E-02 0.391E-02
DAV: 7 -0.197410254182E+04 0.17397E-04 -0.84224E-05 1800 0.114E-02 0.287E-02
DAV: 8 -0.197410252305E+04 0.18764E-04 -0.87520E-05 1808 0.103E-02 0.223E-02
DAV: 9 -0.197410248362E+04 0.39430E-04 -0.47004E-05 1464 0.175E-02 0.155E-02
DAV: 10 -0.197410247586E+04 0.77640E-05 -0.46588E-05 1688 0.101E-02
292 T= 4540. E= -.17857398E+04 F= -.19741025E+04 E0= -.19741041E+04 EK= 0.18836E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197402120143E+04 0.81282E-01 -0.11832E-03 2814 0.704E-01 0.412E-02
DAV: 2 -0.197402134705E+04 -0.14561E-03 -0.21142E-03 1936 0.422E-02 0.506E-02
DAV: 3 -0.197402134584E+04 0.12104E-05 -0.19730E-04 1974 0.131E-02 0.590E-02
DAV: 4 -0.197402131523E+04 0.30610E-04 -0.46153E-05 1256 0.699E-03 0.305E-02
DAV: 5 -0.197402131121E+04 0.40127E-05 -0.75145E-06 1032 0.315E-03
293 T= 4538. E= -.17857398E+04 F= -.19740213E+04 E0= -.19740234E+04 EK= 0.18828E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197394740170E+04 0.73914E-01 -0.12892E-03 2838 0.703E-01 0.685E-02
DAV: 2 -0.197394755757E+04 -0.15587E-03 -0.25525E-03 1952 0.407E-02 0.539E-02
DAV: 3 -0.197394752274E+04 0.34829E-04 -0.64672E-04 1944 0.189E-02 0.376E-02
DAV: 4 -0.197394750353E+04 0.19207E-04 -0.18722E-04 1728 0.114E-02 0.248E-02
DAV: 5 -0.197394749754E+04 0.59902E-05 -0.59705E-05 1248 0.817E-03
294 T= 4536. E= -.17857397E+04 F= -.19739475E+04 E0= -.19739496E+04 EK= 0.18821E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197388174173E+04 0.65762E-01 -0.11573E-03 2190 0.704E-01 0.690E-02
DAV: 2 -0.197388205319E+04 -0.31146E-03 -0.37875E-03 1992 0.451E-02 0.136E-01
DAV: 3 -0.197388185420E+04 0.19899E-03 -0.11070E-03 2048 0.256E-02 0.729E-02
DAV: 4 -0.197388180965E+04 0.44553E-04 -0.19058E-04 1792 0.116E-02 0.234E-02
DAV: 5 -0.197388180670E+04 0.29429E-05 -0.52680E-05 1240 0.718E-03
295 T= 4534. E= -.17857397E+04 F= -.19738818E+04 E0= -.19738846E+04 EK= 0.18814E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197382466604E+04 0.57144E-01 -0.72067E-04 2750 0.704E-01 0.642E-02
DAV: 2 -0.197382504886E+04 -0.38282E-03 -0.39445E-03 2000 0.499E-02 0.159E-01
DAV: 3 -0.197382475827E+04 0.29059E-03 -0.11476E-03 2030 0.272E-02 0.695E-02
DAV: 4 -0.197382471545E+04 0.42813E-04 -0.21494E-04 1752 0.116E-02 0.231E-02
DAV: 5 -0.197382470739E+04 0.80651E-05 -0.22975E-05 1230 0.562E-03
296 T= 4533. E= -.17857398E+04 F= -.19738247E+04 E0= -.19738279E+04 EK= 0.18808E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197377601470E+04 0.48701E-01 -0.10770E-03 2766 0.704E-01 0.453E-02
DAV: 2 -0.197377629923E+04 -0.28453E-03 -0.34159E-03 1936 0.486E-02 0.964E-02
DAV: 3 -0.197377620130E+04 0.97931E-04 -0.58751E-04 1966 0.204E-02 0.563E-02
DAV: 4 -0.197377617524E+04 0.26059E-04 -0.73970E-05 1728 0.910E-03 0.298E-02
DAV: 5 -0.197377616975E+04 0.54934E-05 -0.13540E-05 1016 0.533E-03
297 T= 4532. E= -.17857398E+04 F= -.19737762E+04 E0= -.19737799E+04 EK= 0.18804E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197373577343E+04 0.40402E-01 -0.66915E-04 2884 0.704E-01 0.699E-02
DAV: 2 -0.197373624089E+04 -0.46746E-03 -0.62047E-03 1928 0.683E-02 0.122E-01
DAV: 3 -0.197373602837E+04 0.21251E-03 -0.13388E-03 1960 0.289E-02 0.625E-02
DAV: 4 -0.197373599941E+04 0.28962E-04 -0.11192E-04 1848 0.119E-02 0.379E-02
DAV: 5 -0.197373599632E+04 0.30940E-05 -0.14441E-05 1032 0.445E-03
298 T= 4531. E= -.17857398E+04 F= -.19737360E+04 E0= -.19737401E+04 EK= 0.18800E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197370362170E+04 0.32378E-01 -0.13703E-03 2910 0.705E-01 0.132E-01
DAV: 2 -0.197370385902E+04 -0.23732E-03 -0.85863E-03 1904 0.102E-01 0.114E-01
DAV: 3 -0.197370378651E+04 0.72514E-04 -0.28073E-03 1944 0.413E-02 0.955E-02
DAV: 4 -0.197370367946E+04 0.10705E-03 -0.35500E-04 1960 0.191E-02 0.455E-02
DAV: 5 -0.197370366216E+04 0.17299E-04 -0.11772E-04 1712 0.967E-03 0.226E-02
DAV: 6 -0.197370365363E+04 0.85346E-05 -0.53208E-05 1168 0.644E-03
299 T= 4530. E= -.17857398E+04 F= -.19737037E+04 E0= -.19737082E+04 EK= 0.18796E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197367827964E+04 0.25383E-01 -0.58406E-04 2644 0.704E-01 0.111E-01
DAV: 2 -0.197367838704E+04 -0.10740E-03 -0.50825E-03 1904 0.783E-02 0.680E-02
DAV: 3 -0.197367836965E+04 0.17393E-04 -0.91874E-04 1936 0.292E-02 0.629E-02
DAV: 4 -0.197367833106E+04 0.38591E-04 -0.19468E-04 1936 0.140E-02 0.312E-02
DAV: 5 -0.197367832289E+04 0.81700E-05 -0.63948E-05 1272 0.801E-03
300 T= 4529. E= -.17857399E+04 F= -.19736783E+04 E0= -.19736833E+04 EK= 0.18794E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197365895252E+04 0.19379E-01 -0.54954E-04 1836 0.706E-01 0.642E-02
DAV: 2 -0.197365914635E+04 -0.19383E-03 -0.32848E-03 1912 0.561E-02 0.674E-02
DAV: 3 -0.197365909929E+04 0.47059E-04 -0.77181E-04 1926 0.218E-02 0.462E-02
DAV: 4 -0.197365907554E+04 0.23747E-04 -0.16812E-04 1760 0.108E-02 0.203E-02
DAV: 5 -0.197365907346E+04 0.20807E-05 -0.19521E-05 1048 0.604E-03
301 T= 4529. E= -.17857400E+04 F= -.19736591E+04 E0= -.19736648E+04 EK= 0.18792E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197364468441E+04 0.14391E-01 -0.87101E-04 2806 0.706E-01 0.582E-02
DAV: 2 -0.197364488412E+04 -0.19971E-03 -0.32065E-03 1936 0.571E-02 0.763E-02
DAV: 3 -0.197364483481E+04 0.49308E-04 -0.88129E-04 1960 0.219E-02 0.561E-02
DAV: 4 -0.197364479954E+04 0.35268E-04 -0.12945E-04 1784 0.105E-02 0.244E-02
DAV: 5 -0.197364479372E+04 0.58223E-05 -0.23435E-05 1056 0.533E-03
302 T= 4529. E= -.17857401E+04 F= -.19736448E+04 E0= -.19736509E+04 EK= 0.18790E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197363401892E+04 0.10781E-01 -0.16054E-03 2822 0.703E-01 0.639E-02
DAV: 2 -0.197363431075E+04 -0.29184E-03 -0.40533E-03 1928 0.612E-02 0.853E-02
DAV: 3 -0.197363424888E+04 0.61868E-04 -0.56162E-04 1992 0.241E-02 0.646E-02
DAV: 4 -0.197363420622E+04 0.42665E-04 -0.10971E-04 1864 0.119E-02 0.261E-02
DAV: 5 -0.197363420395E+04 0.22684E-05 -0.17398E-05 1040 0.500E-03
303 T= 4528. E= -.17857402E+04 F= -.19736342E+04 E0= -.19736413E+04 EK= 0.18789E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197362594673E+04 0.82595E-02 -0.77404E-04 2620 0.704E-01 0.790E-02
DAV: 2 -0.197362619501E+04 -0.24828E-03 -0.47092E-03 1912 0.696E-02 0.757E-02
DAV: 3 -0.197362613434E+04 0.60670E-04 -0.90160E-04 1944 0.269E-02 0.592E-02
DAV: 4 -0.197362610232E+04 0.32021E-04 -0.17180E-04 1864 0.120E-02 0.270E-02
DAV: 5 -0.197362609789E+04 0.44286E-05 -0.19266E-05 1024 0.546E-03
304 T= 4528. E= -.17857402E+04 F= -.19736261E+04 E0= -.19736342E+04 EK= 0.18789E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197361910308E+04 0.69992E-02 -0.12221E-03 2566 0.704E-01 0.950E-02
DAV: 2 -0.197361925393E+04 -0.15085E-03 -0.47971E-03 1896 0.809E-02 0.658E-02
DAV: 3 -0.197361921635E+04 0.37580E-04 -0.63905E-04 1950 0.295E-02 0.577E-02
DAV: 4 -0.197361918336E+04 0.32989E-04 -0.16620E-04 1888 0.124E-02 0.276E-02
DAV: 5 -0.197361916871E+04 0.14649E-04 -0.27548E-05 1224 0.760E-03 0.196E-02
DAV: 6 -0.197361914814E+04 0.20572E-04 -0.36641E-05 1480 0.995E-03 0.114E-02
DAV: 7 -0.197361910891E+04 0.39227E-04 -0.58224E-05 1856 0.242E-02 0.154E-02
DAV: 8 -0.197361910289E+04 0.60191E-05 -0.81495E-05 1896 0.127E-02
305 T= 4528. E= -.17857402E+04 F= -.19736191E+04 E0= -.19736294E+04 EK= 0.18788E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197361273978E+04 0.63691E-02 -0.10231E-04 2444 0.735E-01 0.129E-01
DAV: 2 -0.197361239305E+04 0.34674E-03 -0.32606E-03 2352 0.820E-02 0.116E-01
DAV: 3 -0.197361218981E+04 0.20324E-03 -0.95649E-04 2096 0.366E-02 0.527E-02
DAV: 4 -0.197361220121E+04 -0.11403E-04 -0.72615E-04 1920 0.233E-02 0.615E-02
DAV: 5 -0.197361213754E+04 0.63675E-04 -0.26875E-04 1832 0.155E-02 0.297E-02
DAV: 6 -0.197361212505E+04 0.12487E-04 -0.45872E-05 1400 0.109E-02 0.249E-02
DAV: 7 -0.197361210219E+04 0.22863E-04 -0.21123E-05 1304 0.102E-02 0.974E-03
DAV: 8 -0.197361208928E+04 0.12907E-04 -0.18524E-05 1344 0.118E-02 0.802E-03
DAV: 9 -0.197361208295E+04 0.63304E-05 -0.24203E-05 1376 0.103E-02
306 T= 4528. E= -.17857402E+04 F= -.19736121E+04 E0= -.19736224E+04 EK= 0.18787E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197360411636E+04 0.79729E-02 -0.14573E-03 2496 0.716E-01 0.399E-02
DAV: 2 -0.197360416402E+04 -0.47659E-04 -0.12314E-03 1976 0.341E-02 0.399E-02
DAV: 3 -0.197360415056E+04 0.13467E-04 -0.13141E-04 1896 0.139E-02 0.306E-02
DAV: 4 -0.197360413802E+04 0.12534E-04 -0.39614E-05 1280 0.875E-03 0.266E-02
DAV: 5 -0.197360412532E+04 0.12698E-04 -0.22296E-05 1304 0.918E-03 0.242E-02
DAV: 6 -0.197360411339E+04 0.11937E-04 -0.37639E-05 1288 0.833E-03 0.155E-02
DAV: 7 -0.197360409703E+04 0.16356E-04 -0.21859E-05 1392 0.139E-02 0.907E-03
DAV: 8 -0.197360409575E+04 0.12775E-05 -0.35861E-05 1656 0.787E-03
307 T= 4528. E= -.17857402E+04 F= -.19736041E+04 E0= -.19736132E+04 EK= 0.18786E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197359443703E+04 0.96600E-02 -0.36684E-04 2576 0.709E-01 0.426E-02
DAV: 2 -0.197359439612E+04 0.40911E-04 -0.10384E-03 2016 0.340E-02 0.372E-02
DAV: 3 -0.197359435813E+04 0.37994E-04 -0.12424E-04 1920 0.166E-02 0.297E-02
DAV: 4 -0.197359432830E+04 0.29828E-04 -0.79885E-05 1400 0.133E-02 0.288E-02
DAV: 5 -0.197359428806E+04 0.40243E-04 -0.61490E-05 1392 0.155E-02 0.188E-02
DAV: 6 -0.197359427479E+04 0.13267E-04 -0.38255E-05 1656 0.134E-02 0.239E-02
DAV: 7 -0.197359426087E+04 0.13922E-04 -0.23818E-05 1400 0.927E-03 0.859E-03
DAV: 8 -0.197359425461E+04 0.62546E-05 -0.86520E-06 1216 0.738E-03
308 T= 4527. E= -.17857403E+04 F= -.19735943E+04 E0= -.19736029E+04 EK= 0.18785E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197358175536E+04 0.12506E-01 -0.71693E-04 2576 0.705E-01 0.299E-02
DAV: 2 -0.197358184529E+04 -0.89934E-04 -0.11273E-03 1984 0.239E-02 0.240E-02
DAV: 3 -0.197358183803E+04 0.72614E-05 -0.70013E-05 1712 0.971E-03
309 T= 4527. E= -.17857403E+04 F= -.19735818E+04 E0= -.19735908E+04 EK= 0.18784E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197356637667E+04 0.15469E-01 -0.37285E-04 2694 0.705E-01 0.531E-02
DAV: 2 -0.197356661940E+04 -0.24273E-03 -0.21158E-03 1952 0.483E-02 0.144E-01
DAV: 3 -0.197356634236E+04 0.27704E-03 -0.66881E-04 1976 0.255E-02 0.358E-02
DAV: 4 -0.197356631567E+04 0.26683E-04 -0.59942E-05 1752 0.107E-02 0.246E-02
DAV: 5 -0.197356624111E+04 0.74563E-04 -0.92186E-05 1840 0.216E-02 0.207E-02
DAV: 6 -0.197356617289E+04 0.68222E-04 -0.12189E-04 2168 0.311E-02 0.211E-02
DAV: 7 -0.197356616786E+04 0.50250E-05 -0.11627E-04 1800 0.153E-02 0.180E-02
DAV: 8 -0.197356616662E+04 0.12429E-05 -0.26853E-05 1424 0.642E-03
310 T= 4527. E= -.17857403E+04 F= -.19735662E+04 E0= -.19735747E+04 EK= 0.18783E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197354686279E+04 0.19305E-01 -0.46323E-04 2198 0.702E-01 0.634E-02
DAV: 2 -0.197354707830E+04 -0.21551E-03 -0.16009E-03 1992 0.389E-02 0.141E-01
DAV: 3 -0.197354683553E+04 0.24277E-03 -0.62067E-04 1982 0.235E-02 0.379E-02
DAV: 4 -0.197354682668E+04 0.88517E-05 -0.58818E-05 1800 0.130E-02
311 T= 4526. E= -.17857404E+04 F= -.19735468E+04 E0= -.19735547E+04 EK= 0.18781E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197352346578E+04 0.23370E-01 -0.54732E-04 2192 0.698E-01 0.614E-02
DAV: 2 -0.197352361969E+04 -0.15391E-03 -0.16430E-03 2056 0.478E-02 0.121E-01
DAV: 3 -0.197352339665E+04 0.22304E-03 -0.65513E-04 2008 0.287E-02 0.324E-02
DAV: 4 -0.197352336981E+04 0.26837E-04 -0.70803E-05 1856 0.166E-02 0.278E-02
DAV: 5 -0.197352334761E+04 0.22199E-04 -0.74150E-05 1568 0.137E-02 0.288E-02
DAV: 6 -0.197352330936E+04 0.38258E-04 -0.25772E-05 1360 0.159E-02 0.106E-02
DAV: 7 -0.197352329362E+04 0.15733E-04 -0.46263E-05 1664 0.138E-02 0.104E-02
DAV: 8 -0.197352328870E+04 0.49196E-05 -0.31517E-05 1528 0.918E-03
312 T= 4526. E= -.17857404E+04 F= -.19735233E+04 E0= -.19735318E+04 EK= 0.18778E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197349553540E+04 0.27758E-01 -0.12878E-04 2136 0.708E-01 0.560E-02
DAV: 2 -0.197349567100E+04 -0.13559E-03 -0.12215E-03 2016 0.431E-02 0.104E-01
DAV: 3 -0.197349550646E+04 0.16454E-03 -0.26368E-04 1992 0.246E-02 0.341E-02
DAV: 4 -0.197349549750E+04 0.89647E-05 -0.11425E-04 1832 0.155E-02 0.371E-02
DAV: 5 -0.197349545012E+04 0.47374E-04 -0.91987E-05 1632 0.202E-02 0.172E-02
DAV: 6 -0.197349543227E+04 0.17855E-04 -0.61411E-05 1816 0.149E-02 0.127E-02
DAV: 7 -0.197349542857E+04 0.36966E-05 -0.31531E-05 1432 0.673E-03
313 T= 4525. E= -.17857404E+04 F= -.19734954E+04 E0= -.19735042E+04 EK= 0.18775E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197346295204E+04 0.32480E-01 -0.29854E-04 2182 0.698E-01 0.335E-02
DAV: 2 -0.197346301293E+04 -0.60895E-04 -0.83145E-04 1968 0.211E-02 0.309E-02
DAV: 3 -0.197346300770E+04 0.52356E-05 -0.33365E-05 1536 0.911E-03
314 T= 4524. E= -.17857404E+04 F= -.19734630E+04 E0= -.19734724E+04 EK= 0.18772E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197342579992E+04 0.37213E-01 -0.42221E-04 2574 0.697E-01 0.425E-02
DAV: 2 -0.197342602447E+04 -0.22455E-03 -0.13757E-03 2032 0.329E-02 0.109E-01
DAV: 3 -0.197342586922E+04 0.15526E-03 -0.31649E-04 2000 0.174E-02 0.212E-02
DAV: 4 -0.197342587149E+04 -0.22769E-05 -0.20976E-05 1384 0.660E-03
315 T= 4523. E= -.17857404E+04 F= -.19734259E+04 E0= -.19734356E+04 EK= 0.18769E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197338386272E+04 0.42006E-01 -0.35512E-04 2558 0.700E-01 0.546E-02
DAV: 2 -0.197338421217E+04 -0.34945E-03 -0.25045E-03 2000 0.468E-02 0.132E-01
DAV: 3 -0.197338396229E+04 0.24988E-03 -0.69120E-04 2024 0.252E-02 0.401E-02
DAV: 4 -0.197338395436E+04 0.79314E-05 -0.36264E-05 1648 0.793E-03
316 T= 4522. E= -.17857404E+04 F= -.19733840E+04 E0= -.19733946E+04 EK= 0.18764E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197333704387E+04 0.46918E-01 0.44150E-04 2854 0.700E-01 0.818E-02
DAV: 2 -0.197333727651E+04 -0.23265E-03 -0.27491E-03 1944 0.606E-02 0.113E-01
DAV: 3 -0.197333711598E+04 0.16054E-03 -0.47150E-04 2016 0.315E-02 0.496E-02
DAV: 4 -0.197333708176E+04 0.34219E-04 -0.76824E-05 1784 0.161E-02 0.321E-02
DAV: 5 -0.197333706759E+04 0.14172E-04 -0.60289E-05 1712 0.999E-03 0.229E-02
DAV: 6 -0.197333701267E+04 0.54917E-04 -0.89521E-06 1752 0.249E-02 0.126E-02
DAV: 7 -0.197333698853E+04 0.24142E-04 -0.61464E-05 1984 0.191E-02 0.143E-02
DAV: 8 -0.197333698104E+04 0.74855E-05 -0.45169E-05 1736 0.112E-02
317 T= 4521. E= -.17857403E+04 F= -.19733370E+04 E0= -.19733507E+04 EK= 0.18760E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197328535965E+04 0.51629E-01 0.12704E-02 2694 0.742E-01 0.146E-01
DAV: 2 -0.197328503744E+04 0.32221E-03 -0.59405E-03 2208 0.915E-02 0.157E-01
DAV: 3 -0.197328502220E+04 0.15237E-04 -0.15148E-03 1992 0.492E-02 0.165E-01
DAV: 4 -0.197328469561E+04 0.32659E-03 -0.51881E-04 2000 0.277E-02 0.388E-02
DAV: 5 -0.197328468502E+04 0.10593E-04 -0.18400E-04 1848 0.145E-02 0.213E-02
DAV: 6 -0.197328466758E+04 0.17440E-04 -0.41364E-05 1480 0.120E-02 0.158E-02
DAV: 7 -0.197328466111E+04 0.64714E-05 -0.27273E-05 1280 0.864E-03
318 T= 4520. E= -.17857401E+04 F= -.19732847E+04 E0= -.19733008E+04 EK= 0.18754E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197322939673E+04 0.55271E-01 -0.33024E-03 2750 0.708E-01 0.208E-01
DAV: 2 -0.197322875432E+04 0.64241E-03 -0.21138E-02 2320 0.146E-01 0.173E-01
DAV: 3 -0.197322844511E+04 0.30921E-03 -0.34540E-03 1968 0.630E-02 0.179E-01
DAV: 4 -0.197322807980E+04 0.36531E-03 -0.95187E-04 2000 0.341E-02 0.804E-02
DAV: 5 -0.197322803024E+04 0.49560E-04 -0.32809E-04 1912 0.204E-02 0.530E-02
DAV: 6 -0.197322799853E+04 0.31711E-04 -0.14524E-04 1912 0.154E-02 0.288E-02
DAV: 7 -0.197322798209E+04 0.16442E-04 -0.49825E-05 1600 0.999E-03 0.153E-02
DAV: 8 -0.197322797310E+04 0.89907E-05 -0.18835E-05 1240 0.887E-03
319 T= 4519. E= -.17857400E+04 F= -.19732280E+04 E0= -.19732440E+04 EK= 0.18749E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197316788961E+04 0.60092E-01 -0.67688E-04 2542 0.709E-01 0.961E-02
DAV: 2 -0.197316731045E+04 0.57916E-03 -0.19747E-03 2160 0.689E-02 0.806E-02
DAV: 3 -0.197316734090E+04 -0.30444E-04 -0.10624E-03 1910 0.393E-02 0.115E-01
DAV: 4 -0.197316713980E+04 0.20110E-03 -0.34074E-04 1952 0.264E-02 0.411E-02
DAV: 5 -0.197316712020E+04 0.19595E-04 -0.16719E-04 1920 0.146E-02 0.336E-02
DAV: 6 -0.197316709946E+04 0.20743E-04 -0.66392E-05 1560 0.106E-02 0.217E-02
DAV: 7 -0.197316708571E+04 0.13744E-04 -0.31644E-05 1296 0.955E-03 0.120E-02
DAV: 8 -0.197316708041E+04 0.53088E-05 -0.17231E-05 1264 0.846E-03
320 T= 4517. E= -.17857400E+04 F= -.19731671E+04 E0= -.19731829E+04 EK= 0.18743E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197310199057E+04 0.65095E-01 -0.78364E-04 2676 0.695E-01 0.247E-02
DAV: 2 -0.197310209482E+04 -0.10425E-03 -0.15792E-03 1968 0.351E-02 0.328E-02
DAV: 3 -0.197310208762E+04 0.71957E-05 -0.90843E-05 1888 0.110E-02
321 T= 4516. E= -.17857400E+04 F= -.19731021E+04 E0= -.19731179E+04 EK= 0.18736E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197303290338E+04 0.69191E-01 -0.75844E-04 2708 0.694E-01 0.598E-02
DAV: 2 -0.197303308169E+04 -0.17831E-03 -0.20267E-03 1920 0.425E-02 0.704E-02
DAV: 3 -0.197303303841E+04 0.43272E-04 -0.25786E-04 2016 0.191E-02 0.500E-02
DAV: 4 -0.197303300997E+04 0.28439E-04 -0.70172E-05 1736 0.113E-02 0.175E-02
DAV: 5 -0.197303300866E+04 0.13163E-05 -0.23796E-05 1232 0.770E-03
322 T= 4514. E= -.17857401E+04 F= -.19730330E+04 E0= -.19730485E+04 EK= 0.18729E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197295978761E+04 0.73222E-01 -0.38102E-04 2414 0.692E-01 0.590E-02
DAV: 2 -0.197295998889E+04 -0.20129E-03 -0.19464E-03 1928 0.441E-02 0.862E-02
DAV: 3 -0.197295991814E+04 0.70750E-04 -0.21076E-04 2024 0.204E-02 0.507E-02
DAV: 4 -0.197295989288E+04 0.25265E-04 -0.83698E-05 1792 0.117E-02 0.165E-02
DAV: 5 -0.197295989255E+04 0.33004E-06 -0.33219E-05 1408 0.791E-03
323 T= 4512. E= -.17857401E+04 F= -.19729599E+04 E0= -.19729753E+04 EK= 0.18722E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197288267682E+04 0.77216E-01 -0.48459E-04 2638 0.692E-01 0.366E-02
DAV: 2 -0.197288288483E+04 -0.20801E-03 -0.16506E-03 1936 0.406E-02 0.809E-02
DAV: 3 -0.197288279909E+04 0.85741E-04 -0.13423E-04 1968 0.184E-02 0.359E-02
DAV: 4 -0.197288279385E+04 0.52341E-05 -0.32170E-05 1440 0.645E-03
324 T= 4510. E= -.17857400E+04 F= -.19728828E+04 E0= -.19728982E+04 EK= 0.18714E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197280161324E+04 0.81186E-01 -0.43379E-04 2710 0.691E-01 0.671E-02
DAV: 2 -0.197280194955E+04 -0.33631E-03 -0.29826E-03 1928 0.552E-02 0.126E-01
DAV: 3 -0.197280172849E+04 0.22106E-03 -0.88740E-04 1936 0.283E-02 0.443E-02
DAV: 4 -0.197280171391E+04 0.14574E-04 -0.66885E-05 1760 0.120E-02 0.252E-02
DAV: 5 -0.197280170836E+04 0.55530E-05 -0.18187E-05 1128 0.586E-03
325 T= 4508. E= -.17857400E+04 F= -.19728017E+04 E0= -.19728171E+04 EK= 0.18706E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197271654806E+04 0.85166E-01 -0.25744E-04 2590 0.691E-01 0.815E-02
DAV: 2 -0.197271691521E+04 -0.36714E-03 -0.36149E-03 1896 0.647E-02 0.138E-01
DAV: 3 -0.197271671769E+04 0.19751E-03 -0.74582E-04 1982 0.304E-02 0.707E-02
DAV: 4 -0.197271666588E+04 0.51817E-04 -0.90006E-05 1848 0.160E-02 0.257E-02
DAV: 5 -0.197271666352E+04 0.23546E-05 -0.38298E-05 1632 0.755E-03
326 T= 4506. E= -.17857400E+04 F= -.19727167E+04 E0= -.19727323E+04 EK= 0.18698E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197262753883E+04 0.89127E-01 -0.95571E-04 2806 0.691E-01 0.736E-02
DAV: 2 -0.197262783676E+04 -0.29793E-03 -0.37633E-03 1912 0.671E-02 0.108E-01
DAV: 3 -0.197262773899E+04 0.97772E-04 -0.57774E-04 2000 0.279E-02 0.687E-02
DAV: 4 -0.197262769612E+04 0.42873E-04 -0.81330E-05 1816 0.128E-02 0.267E-02
DAV: 5 -0.197262769181E+04 0.43050E-05 -0.25569E-05 1248 0.598E-03
327 T= 4504. E= -.17857400E+04 F= -.19726277E+04 E0= -.19726435E+04 EK= 0.18689E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197253463419E+04 0.93062E-01 -0.33550E-04 2750 0.690E-01 0.716E-02
DAV: 2 -0.197253490663E+04 -0.27243E-03 -0.33754E-03 1936 0.638E-02 0.889E-02
DAV: 3 -0.197253479783E+04 0.10880E-03 -0.48635E-04 1926 0.279E-02 0.527E-02
DAV: 4 -0.197253477389E+04 0.23939E-04 -0.87752E-05 1792 0.113E-02 0.256E-02
DAV: 5 -0.197253477051E+04 0.33794E-05 -0.11807E-05 1016 0.462E-03
328 T= 4502. E= -.17857401E+04 F= -.19725348E+04 E0= -.19725508E+04 EK= 0.18679E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197243775459E+04 0.97019E-01 -0.45057E-04 2758 0.689E-01 0.860E-02
DAV: 2 -0.197243801564E+04 -0.26104E-03 -0.41001E-03 1920 0.712E-02 0.833E-02
DAV: 3 -0.197243794575E+04 0.69882E-04 -0.52919E-04 1942 0.301E-02 0.612E-02
DAV: 4 -0.197243791109E+04 0.34659E-04 -0.11902E-04 1848 0.131E-02 0.264E-02
DAV: 5 -0.197243790689E+04 0.42098E-05 -0.16705E-05 1072 0.542E-03
329 T= 4500. E= -.17857401E+04 F= -.19724379E+04 E0= -.19724540E+04 EK= 0.18670E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197233700688E+04 0.10090E+00 -0.37934E-04 2774 0.687E-01 0.881E-02
DAV: 2 -0.197233726378E+04 -0.25690E-03 -0.42032E-03 1896 0.751E-02 0.968E-02
DAV: 3 -0.197233718467E+04 0.79111E-04 -0.59471E-04 1968 0.307E-02 0.661E-02
DAV: 4 -0.197233713998E+04 0.44693E-04 -0.10845E-04 1840 0.142E-02 0.289E-02
DAV: 5 -0.197233713631E+04 0.36610E-05 -0.28906E-05 1312 0.653E-03
330 T= 4497. E= -.17857401E+04 F= -.19723371E+04 E0= -.19723534E+04 EK= 0.18660E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197223230432E+04 0.10484E+00 -0.61786E-04 2822 0.687E-01 0.830E-02
DAV: 2 -0.197223255575E+04 -0.25143E-03 -0.41883E-03 1920 0.707E-02 0.831E-02
DAV: 3 -0.197223251113E+04 0.44627E-04 -0.45806E-04 1992 0.284E-02 0.705E-02
DAV: 4 -0.197223246228E+04 0.48841E-04 -0.10070E-04 1848 0.134E-02 0.270E-02
DAV: 5 -0.197223245887E+04 0.34142E-05 -0.23136E-05 1216 0.597E-03
331 T= 4495. E= -.17857401E+04 F= -.19722325E+04 E0= -.19722485E+04 EK= 0.18649E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197212372796E+04 0.10873E+00 -0.58982E-04 2734 0.687E-01 0.853E-02
DAV: 2 -0.197212401297E+04 -0.28502E-03 -0.41020E-03 1928 0.720E-02 0.915E-02
DAV: 3 -0.197212393204E+04 0.80936E-04 -0.60467E-04 1952 0.308E-02 0.679E-02
DAV: 4 -0.197212388385E+04 0.48192E-04 -0.12471E-04 1864 0.141E-02 0.290E-02
DAV: 5 -0.197212387912E+04 0.47250E-05 -0.21551E-05 1168 0.626E-03
332 T= 4492. E= -.17857400E+04 F= -.19721239E+04 E0= -.19721399E+04 EK= 0.18638E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197201133473E+04 0.11255E+00 -0.65190E-04 2774 0.686E-01 0.874E-02
DAV: 2 -0.197201153237E+04 -0.19764E-03 -0.39963E-03 1936 0.744E-02 0.753E-02
DAV: 3 -0.197201151327E+04 0.19105E-04 -0.52359E-04 1960 0.295E-02 0.706E-02
DAV: 4 -0.197201146206E+04 0.51209E-04 -0.11475E-04 1856 0.131E-02 0.281E-02
DAV: 5 -0.197201145633E+04 0.57296E-05 -0.21555E-05 1216 0.622E-03
333 T= 4489. E= -.17857400E+04 F= -.19720115E+04 E0= -.19720270E+04 EK= 0.18627E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197189510820E+04 0.11635E+00 -0.26079E-04 2468 0.685E-01 0.794E-02
DAV: 2 -0.197189533006E+04 -0.22187E-03 -0.36961E-03 1920 0.677E-02 0.855E-02
DAV: 3 -0.197189527109E+04 0.58971E-04 -0.40967E-04 2016 0.280E-02 0.639E-02
DAV: 4 -0.197189522837E+04 0.42720E-04 -0.96873E-05 1888 0.136E-02 0.269E-02
DAV: 5 -0.197189522574E+04 0.26318E-05 -0.24011E-05 1208 0.614E-03
334 T= 4486. E= -.17857401E+04 F= -.19718952E+04 E0= -.19719108E+04 EK= 0.18616E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197177504472E+04 0.12018E+00 -0.52141E-04 2768 0.684E-01 0.755E-02
DAV: 2 -0.197177530047E+04 -0.25575E-03 -0.39879E-03 1936 0.667E-02 0.730E-02
DAV: 3 -0.197177525788E+04 0.42592E-04 -0.31423E-04 2056 0.262E-02 0.618E-02
DAV: 4 -0.197177522252E+04 0.35352E-04 -0.84420E-05 1840 0.121E-02 0.264E-02
DAV: 5 -0.197177522046E+04 0.20658E-05 -0.16834E-05 1056 0.514E-03
335 T= 4484. E= -.17857401E+04 F= -.19717752E+04 E0= -.19717905E+04 EK= 0.18604E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197165135963E+04 0.12386E+00 -0.37801E-04 2502 0.683E-01 0.813E-02
DAV: 2 -0.197165159663E+04 -0.23700E-03 -0.39964E-03 1896 0.726E-02 0.842E-02
DAV: 3 -0.197165155304E+04 0.43589E-04 -0.49389E-04 2008 0.292E-02 0.753E-02
DAV: 4 -0.197165149325E+04 0.59788E-04 -0.12082E-04 1864 0.136E-02 0.292E-02
DAV: 5 -0.197165148967E+04 0.35821E-05 -0.21841E-05 1166 0.604E-03
336 T= 4481. E= -.17857401E+04 F= -.19716515E+04 E0= -.19716669E+04 EK= 0.18591E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197152396570E+04 0.12753E+00 -0.41508E-04 2550 0.683E-01 0.910E-02
DAV: 2 -0.197152418149E+04 -0.21579E-03 -0.45176E-03 1904 0.764E-02 0.805E-02
DAV: 3 -0.197152416022E+04 0.21265E-04 -0.45844E-04 2056 0.304E-02 0.830E-02
DAV: 4 -0.197152409120E+04 0.69018E-04 -0.12290E-04 1920 0.144E-02 0.280E-02
DAV: 5 -0.197152408778E+04 0.34276E-05 -0.30212E-05 1408 0.695E-03
337 T= 4478. E= -.17857401E+04 F= -.19715241E+04 E0= -.19715391E+04 EK= 0.18578E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197139288492E+04 0.13121E+00 -0.72668E-04 2806 0.682E-01 0.851E-02
DAV: 2 -0.197139312582E+04 -0.24091E-03 -0.46268E-03 1904 0.737E-02 0.663E-02
DAV: 3 -0.197139310737E+04 0.18455E-04 -0.33104E-04 2166 0.273E-02 0.678E-02
DAV: 4 -0.197139306258E+04 0.44787E-04 -0.85839E-05 1888 0.117E-02 0.245E-02
DAV: 5 -0.197139305922E+04 0.33632E-05 -0.21973E-05 1176 0.631E-03
338 T= 4474. E= -.17857401E+04 F= -.19713931E+04 E0= -.19714082E+04 EK= 0.18565E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197125832498E+04 0.13474E+00 -0.79273E-04 2910 0.682E-01 0.794E-02
DAV: 2 -0.197125856802E+04 -0.24304E-03 -0.41527E-03 1912 0.702E-02 0.701E-02
DAV: 3 -0.197125853809E+04 0.29936E-04 -0.37641E-04 2080 0.263E-02 0.619E-02
DAV: 4 -0.197125849516E+04 0.42922E-04 -0.98516E-05 1840 0.123E-02 0.264E-02
DAV: 5 -0.197125849216E+04 0.30066E-05 -0.19555E-05 1112 0.567E-03
339 T= 4471. E= -.17857401E+04 F= -.19712585E+04 E0= -.19712735E+04 EK= 0.18552E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197112033891E+04 0.13816E+00 -0.36129E-04 2406 0.681E-01 0.782E-02
DAV: 2 -0.197112052702E+04 -0.18811E-03 -0.36127E-03 1896 0.653E-02 0.663E-02
DAV: 3 -0.197112051110E+04 0.15920E-04 -0.32255E-04 2054 0.252E-02 0.684E-02
DAV: 4 -0.197112045816E+04 0.52933E-04 -0.92511E-05 1840 0.122E-02 0.240E-02
DAV: 5 -0.197112045552E+04 0.26389E-05 -0.22487E-05 1168 0.615E-03
340 T= 4468. E= -.17857401E+04 F= -.19711205E+04 E0= -.19711357E+04 EK= 0.18538E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197097887230E+04 0.14159E+00 -0.64992E-04 2822 0.680E-01 0.719E-02
DAV: 2 -0.197097911032E+04 -0.23802E-03 -0.37904E-03 1928 0.645E-02 0.717E-02
DAV: 3 -0.197097908617E+04 0.24149E-04 -0.27661E-04 2088 0.252E-02 0.717E-02
DAV: 4 -0.197097903362E+04 0.52556E-04 -0.80943E-05 1904 0.124E-02 0.248E-02
DAV: 5 -0.197097903164E+04 0.19770E-05 -0.22629E-05 1144 0.618E-03
341 T= 4464. E= -.17857401E+04 F= -.19709790E+04 E0= -.19709944E+04 EK= 0.18524E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197083415524E+04 0.14488E+00 -0.59726E-04 2662 0.679E-01 0.703E-02
DAV: 2 -0.197083439298E+04 -0.23774E-03 -0.37884E-03 1920 0.654E-02 0.705E-02
DAV: 3 -0.197083436658E+04 0.26396E-04 -0.27889E-04 1960 0.246E-02 0.689E-02
DAV: 4 -0.197083431833E+04 0.48257E-04 -0.77272E-05 1832 0.117E-02 0.264E-02
DAV: 5 -0.197083431530E+04 0.30316E-05 -0.22115E-05 1136 0.596E-03
342 T= 4461. E= -.17857401E+04 F= -.19708343E+04 E0= -.19708499E+04 EK= 0.18509E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197068625894E+04 0.14806E+00 -0.59247E-04 2758 0.679E-01 0.759E-02
DAV: 2 -0.197068649815E+04 -0.23921E-03 -0.41725E-03 1912 0.688E-02 0.659E-02
DAV: 3 -0.197068646354E+04 0.34610E-04 -0.29566E-04 2078 0.255E-02 0.621E-02
DAV: 4 -0.197068642775E+04 0.35787E-04 -0.76031E-05 1816 0.109E-02 0.257E-02
DAV: 5 -0.197068642337E+04 0.43830E-05 -0.17746E-05 1032 0.573E-03
343 T= 4457. E= -.17857401E+04 F= -.19706864E+04 E0= -.19707020E+04 EK= 0.18495E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197053531209E+04 0.15112E+00 -0.62053E-04 2702 0.679E-01 0.862E-02
DAV: 2 -0.197053555568E+04 -0.24359E-03 -0.45789E-03 1912 0.741E-02 0.778E-02
DAV: 3 -0.197053550993E+04 0.45744E-04 -0.53354E-04 2080 0.289E-02 0.672E-02
DAV: 4 -0.197053546282E+04 0.47118E-04 -0.13178E-04 1904 0.135E-02 0.271E-02
DAV: 5 -0.197053546008E+04 0.27353E-05 -0.24924E-05 1232 0.631E-03
344 T= 4454. E= -.17857401E+04 F= -.19705355E+04 E0= -.19705515E+04 EK= 0.18480E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197038136577E+04 0.15410E+00 -0.73267E-04 2814 0.678E-01 0.864E-02
DAV: 2 -0.197038158943E+04 -0.22365E-03 -0.44839E-03 1912 0.745E-02 0.716E-02
DAV: 3 -0.197038156382E+04 0.25609E-04 -0.52755E-04 2080 0.283E-02 0.690E-02
DAV: 4 -0.197038151702E+04 0.46797E-04 -0.11729E-04 1872 0.127E-02 0.269E-02
DAV: 5 -0.197038151427E+04 0.27508E-05 -0.24465E-05 1208 0.617E-03
345 T= 4450. E= -.17857401E+04 F= -.19703815E+04 E0= -.19703974E+04 EK= 0.18464E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197022458817E+04 0.15693E+00 -0.57905E-04 2678 0.678E-01 0.852E-02
DAV: 2 -0.197022478959E+04 -0.20142E-03 -0.40326E-03 1928 0.710E-02 0.735E-02
DAV: 3 -0.197022478571E+04 0.38831E-05 -0.45022E-04 2096 0.284E-02 0.818E-02
DAV: 4 -0.197022471123E+04 0.74481E-04 -0.11596E-04 1896 0.137E-02 0.253E-02
DAV: 5 -0.197022470881E+04 0.24124E-05 -0.28849E-05 1312 0.684E-03
346 T= 4446. E= -.17857401E+04 F= -.19702247E+04 E0= -.19702412E+04 EK= 0.18448E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197006509274E+04 0.15962E+00 -0.27884E-04 2190 0.677E-01 0.802E-02
DAV: 2 -0.197006522782E+04 -0.13508E-03 -0.33421E-03 1920 0.662E-02 0.644E-02
DAV: 3 -0.197006521872E+04 0.91014E-05 -0.36583E-04 2070 0.261E-02 0.728E-02
DAV: 4 -0.197006516463E+04 0.54086E-04 -0.91854E-05 1832 0.119E-02 0.230E-02
DAV: 5 -0.197006515946E+04 0.51730E-05 -0.22485E-05 1200 0.657E-03
347 T= 4442. E= -.17857401E+04 F= -.19700652E+04 E0= -.19700819E+04 EK= 0.18433E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196990282234E+04 0.16234E+00 -0.49666E-04 2614 0.676E-01 0.657E-02
DAV: 2 -0.196990303116E+04 -0.20881E-03 -0.33701E-03 1920 0.613E-02 0.626E-02
DAV: 3 -0.196990299044E+04 0.40717E-04 -0.28342E-04 2080 0.229E-02 0.498E-02
DAV: 4 -0.196990296792E+04 0.22514E-04 -0.73441E-05 1808 0.100E-02 0.242E-02
DAV: 5 -0.196990296470E+04 0.32215E-05 -0.13615E-05 1040 0.484E-03
348 T= 4438. E= -.17857401E+04 F= -.19699030E+04 E0= -.19699204E+04 EK= 0.18416E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196973813700E+04 0.16483E+00 -0.61371E-04 2750 0.676E-01 0.715E-02
DAV: 2 -0.196973836950E+04 -0.23250E-03 -0.37795E-03 1936 0.636E-02 0.744E-02
DAV: 3 -0.196973832065E+04 0.48850E-04 -0.45684E-04 2024 0.253E-02 0.641E-02
DAV: 4 -0.196973827925E+04 0.41405E-04 -0.86382E-05 1832 0.120E-02 0.269E-02
DAV: 5 -0.196973827503E+04 0.42216E-05 -0.28892E-05 1096 0.592E-03
349 T= 4434. E= -.17857401E+04 F= -.19697383E+04 E0= -.19697561E+04 EK= 0.18400E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196957107723E+04 0.16720E+00 -0.56196E-04 2742 0.675E-01 0.797E-02
DAV: 2 -0.196957131480E+04 -0.23757E-03 -0.41939E-03 1928 0.699E-02 0.792E-02
DAV: 3 -0.196957128297E+04 0.31831E-04 -0.40374E-04 1990 0.288E-02 0.801E-02
DAV: 4 -0.196957121626E+04 0.66713E-04 -0.11628E-04 1936 0.139E-02 0.280E-02
DAV: 5 -0.196957121191E+04 0.43536E-05 -0.31789E-05 1344 0.712E-03
350 T= 4430. E= -.17857401E+04 F= -.19695712E+04 E0= -.19695897E+04 EK= 0.18383E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196940166715E+04 0.16955E+00 -0.12664E-03 2830 0.675E-01 0.789E-02
DAV: 2 -0.196940196562E+04 -0.29847E-03 -0.49540E-03 1920 0.732E-02 0.727E-02
DAV: 3 -0.196940193343E+04 0.32187E-04 -0.44739E-04 1998 0.276E-02 0.714E-02
DAV: 4 -0.196940188264E+04 0.50790E-04 -0.95493E-05 1880 0.126E-02 0.289E-02
DAV: 5 -0.196940187791E+04 0.47332E-05 -0.33474E-05 1224 0.631E-03
351 T= 4426. E= -.17857401E+04 F= -.19694019E+04 E0= -.19694208E+04 EK= 0.18366E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196923020322E+04 0.17168E+00 -0.97586E-04 2838 0.675E-01 0.811E-02
DAV: 2 -0.196923049546E+04 -0.29224E-03 -0.49402E-03 1936 0.739E-02 0.732E-02
DAV: 3 -0.196923047325E+04 0.22210E-04 -0.42792E-04 2080 0.283E-02 0.775E-02
DAV: 4 -0.196923041358E+04 0.59666E-04 -0.11577E-04 1912 0.129E-02 0.270E-02
DAV: 5 -0.196923041060E+04 0.29841E-05 -0.25151E-05 1200 0.645E-03
352 T= 4422. E= -.17857401E+04 F= -.19692304E+04 E0= -.19692499E+04 EK= 0.18349E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196905680165E+04 0.17361E+00 -0.71057E-04 2790 0.674E-01 0.879E-02
DAV: 2 -0.196905702900E+04 -0.22735E-03 -0.47563E-03 1928 0.759E-02 0.705E-02
DAV: 3 -0.196905701773E+04 0.11278E-04 -0.42044E-04 2124 0.292E-02 0.817E-02
DAV: 4 -0.196905694915E+04 0.68570E-04 -0.10753E-04 1912 0.133E-02 0.259E-02
DAV: 5 -0.196905694377E+04 0.53851E-05 -0.41009E-05 1464 0.729E-03
353 T= 4418. E= -.17857401E+04 F= -.19690569E+04 E0= -.19690770E+04 EK= 0.18332E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196888140822E+04 0.17554E+00 -0.98107E-04 2764 0.673E-01 0.812E-02
DAV: 2 -0.196888165023E+04 -0.24200E-03 -0.45315E-03 1920 0.721E-02 0.728E-02
DAV: 3 -0.196888163073E+04 0.19494E-04 -0.70926E-04 2088 0.277E-02 0.745E-02
DAV: 4 -0.196888157303E+04 0.57705E-04 -0.16312E-04 1904 0.130E-02 0.269E-02
DAV: 5 -0.196888156974E+04 0.32909E-05 -0.30616E-05 1208 0.635E-03
354 T= 4414. E= -.17857402E+04 F= -.19688816E+04 E0= -.19689026E+04 EK= 0.18314E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196870429376E+04 0.17728E+00 -0.56014E-04 2700 0.673E-01 0.749E-02
DAV: 2 -0.196870449917E+04 -0.20540E-03 -0.37986E-03 1928 0.664E-02 0.696E-02
DAV: 3 -0.196870448467E+04 0.14498E-04 -0.47489E-04 2168 0.259E-02 0.763E-02
DAV: 4 -0.196870442688E+04 0.57792E-04 -0.11477E-04 1912 0.122E-02 0.244E-02
DAV: 5 -0.196870442434E+04 0.25396E-05 -0.28249E-05 1128 0.625E-03
355 T= 4410. E= -.17857401E+04 F= -.19687044E+04 E0= -.19687261E+04 EK= 0.18296E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196852558660E+04 0.17884E+00 -0.32540E-04 2476 0.673E-01 0.770E-02
DAV: 2 -0.196852577709E+04 -0.19049E-03 -0.36968E-03 1920 0.677E-02 0.779E-02
DAV: 3 -0.196852574749E+04 0.29603E-04 -0.51724E-04 2110 0.277E-02 0.764E-02
DAV: 4 -0.196852568272E+04 0.64763E-04 -0.11664E-04 1888 0.135E-02 0.283E-02
DAV: 5 -0.196852567726E+04 0.54605E-05 -0.40513E-05 1264 0.672E-03
356 T= 4405. E= -.17857401E+04 F= -.19685257E+04 E0= -.19685483E+04 EK= 0.18279E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196834529841E+04 0.18038E+00 -0.74527E-04 2848 0.671E-01 0.772E-02
DAV: 2 -0.196834552875E+04 -0.23034E-03 -0.42614E-03 1928 0.712E-02 0.718E-02
DAV: 3 -0.196834550382E+04 0.24932E-04 -0.39382E-04 2054 0.281E-02 0.752E-02
DAV: 4 -0.196834544667E+04 0.57149E-04 -0.10426E-04 1856 0.128E-02 0.288E-02
DAV: 5 -0.196834543870E+04 0.79695E-05 -0.30246E-05 1270 0.681E-03
357 T= 4401. E= -.17857401E+04 F= -.19683454E+04 E0= -.19683682E+04 EK= 0.18261E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196816367743E+04 0.18177E+00 -0.74922E-04 2720 0.671E-01 0.851E-02
DAV: 2 -0.196816407689E+04 -0.39946E-03 -0.58943E-03 1920 0.752E-02 0.132E-01
DAV: 3 -0.196816389418E+04 0.18271E-03 -0.18560E-03 2048 0.328E-02 0.769E-02
DAV: 4 -0.196816384392E+04 0.50259E-04 -0.19559E-04 1896 0.160E-02 0.381E-02
DAV: 5 -0.196816383531E+04 0.86086E-05 -0.40457E-05 1408 0.749E-03
358 T= 4397. E= -.17857401E+04 F= -.19681638E+04 E0= -.19681867E+04 EK= 0.18242E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196798095069E+04 0.18289E+00 -0.61348E-04 2790 0.673E-01 0.975E-02
DAV: 2 -0.196798129683E+04 -0.34615E-03 -0.62514E-03 1920 0.826E-02 0.121E-01
DAV: 3 -0.196798117641E+04 0.12042E-03 -0.20020E-03 2048 0.354E-02 0.915E-02
DAV: 4 -0.196798109547E+04 0.80942E-04 -0.27771E-04 1944 0.176E-02 0.400E-02
DAV: 5 -0.196798108624E+04 0.92310E-05 -0.51276E-05 1608 0.822E-03
359 T= 4392. E= -.17857401E+04 F= -.19679811E+04 E0= -.19680035E+04 EK= 0.18224E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196779726982E+04 0.18383E+00 -0.68739E-04 2784 0.672E-01 0.105E-01
DAV: 2 -0.196779751770E+04 -0.24788E-03 -0.56688E-03 1920 0.875E-02 0.919E-02
DAV: 3 -0.196779749344E+04 0.24255E-04 -0.68926E-04 2070 0.367E-02 0.100E-01
DAV: 4 -0.196779738906E+04 0.10438E-03 -0.18170E-04 1960 0.167E-02 0.342E-02
DAV: 5 -0.196779737844E+04 0.10621E-04 -0.41210E-05 1670 0.874E-03 0.212E-02
DAV: 6 -0.196779735324E+04 0.25207E-04 -0.33989E-05 1544 0.119E-02 0.119E-02
DAV: 7 -0.196779733442E+04 0.18811E-04 -0.67182E-05 1800 0.157E-02 0.166E-02
DAV: 8 -0.196779732564E+04 0.87817E-05 -0.60392E-05 1720 0.125E-02
360 T= 4388. E= -.17857401E+04 F= -.19677973E+04 E0= -.19678201E+04 EK= 0.18206E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196761284213E+04 0.18449E+00 -0.74469E-04 2420 0.671E-01 0.431E-02
DAV: 2 -0.196761299358E+04 -0.15145E-03 -0.18908E-03 1960 0.419E-02 0.721E-02
DAV: 3 -0.196761293392E+04 0.59668E-04 -0.26694E-04 2000 0.192E-02 0.459E-02
DAV: 4 -0.196761291277E+04 0.21143E-04 -0.46908E-05 1696 0.936E-03 0.276E-02
DAV: 5 -0.196761289855E+04 0.14228E-04 -0.40285E-05 1208 0.855E-03 0.263E-02
DAV: 6 -0.196761286500E+04 0.33546E-04 -0.11286E-04 1808 0.182E-02 0.208E-02
DAV: 7 -0.196761285151E+04 0.13488E-04 -0.71630E-05 1832 0.129E-02 0.169E-02
DAV: 8 -0.196761284267E+04 0.88402E-05 -0.16095E-05 1216 0.848E-03
361 T= 4383. E= -.17857401E+04 F= -.19676128E+04 E0= -.19676363E+04 EK= 0.18187E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196742783554E+04 0.18502E+00 -0.39622E-04 2382 0.668E-01 0.530E-02
DAV: 2 -0.196742791460E+04 -0.79054E-04 -0.17147E-03 1920 0.427E-02 0.450E-02
DAV: 3 -0.196742791897E+04 -0.43764E-05 -0.21952E-04 1984 0.167E-02 0.450E-02
DAV: 4 -0.196742790054E+04 0.18430E-04 -0.61170E-05 1264 0.854E-03 0.280E-02
DAV: 5 -0.196742790129E+04 -0.74637E-06 -0.44395E-05 1184 0.732E-03
362 T= 4379. E= -.17857400E+04 F= -.19674279E+04 E0= -.19674519E+04 EK= 0.18169E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196724266961E+04 0.18523E+00 -0.39941E-04 2486 0.666E-01 0.434E-02
DAV: 2 -0.196724282024E+04 -0.15063E-03 -0.20848E-03 1936 0.438E-02 0.506E-02
DAV: 3 -0.196724279408E+04 0.26157E-04 -0.24673E-04 1982 0.164E-02 0.425E-02
DAV: 4 -0.196724277979E+04 0.14287E-04 -0.43054E-05 1352 0.758E-03 0.238E-02
DAV: 5 -0.196724277585E+04 0.39423E-05 -0.13744E-05 1006 0.463E-03
363 T= 4374. E= -.17857400E+04 F= -.19672428E+04 E0= -.19672666E+04 EK= 0.18150E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196705766993E+04 0.18511E+00 -0.37510E-04 2390 0.668E-01 0.558E-02
DAV: 2 -0.196705790532E+04 -0.23538E-03 -0.26347E-03 1912 0.501E-02 0.788E-02
DAV: 3 -0.196705784103E+04 0.64280E-04 -0.28465E-04 1968 0.209E-02 0.583E-02
DAV: 4 -0.196705780905E+04 0.31989E-04 -0.66952E-05 1768 0.106E-02 0.286E-02
DAV: 5 -0.196705780432E+04 0.47279E-05 -0.24518E-05 1048 0.605E-03
364 T= 4370. E= -.17857400E+04 F= -.19670578E+04 E0= -.19670818E+04 EK= 0.18132E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196687320886E+04 0.18460E+00 -0.52380E-04 2702 0.668E-01 0.744E-02
DAV: 2 -0.196687352931E+04 -0.32045E-03 -0.43130E-03 1904 0.667E-02 0.105E-01
DAV: 3 -0.196687343114E+04 0.98173E-04 -0.79414E-04 1982 0.286E-02 0.848E-02
DAV: 4 -0.196687336567E+04 0.65468E-04 -0.12669E-04 1880 0.141E-02 0.322E-02
DAV: 5 -0.196687336146E+04 0.42074E-05 -0.34403E-05 1312 0.697E-03
365 T= 4365. E= -.17857399E+04 F= -.19668734E+04 E0= -.19668972E+04 EK= 0.18113E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196668970114E+04 0.18366E+00 -0.58316E-04 2790 0.669E-01 0.968E-02
DAV: 2 -0.196669005200E+04 -0.35086E-03 -0.57713E-03 1904 0.845E-02 0.104E-01
DAV: 3 -0.196668996739E+04 0.84611E-04 -0.70830E-04 1968 0.354E-02 0.961E-02
DAV: 4 -0.196668987591E+04 0.91474E-04 -0.15794E-04 1912 0.164E-02 0.373E-02
DAV: 5 -0.196668986905E+04 0.68608E-05 -0.43326E-05 1584 0.816E-03
366 T= 4361. E= -.17857400E+04 F= -.19666899E+04 E0= -.19667139E+04 EK= 0.18095E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196650760585E+04 0.18227E+00 -0.77539E-04 2814 0.667E-01 0.113E-01
DAV: 2 -0.196650781950E+04 -0.21365E-03 -0.62197E-03 1904 0.914E-02 0.763E-02
DAV: 3 -0.196650778074E+04 0.38756E-04 -0.71841E-04 1966 0.352E-02 0.729E-02
DAV: 4 -0.196650773438E+04 0.46363E-04 -0.15655E-04 1888 0.146E-02 0.359E-02
DAV: 5 -0.196650772278E+04 0.11594E-04 -0.32658E-05 1320 0.781E-03 0.196E-02
DAV: 6 -0.196650771446E+04 0.83201E-05 -0.23866E-05 1224 0.729E-03
367 T= 4357. E= -.17857399E+04 F= -.19665077E+04 E0= -.19665320E+04 EK= 0.18077E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196632721955E+04 0.18050E+00 -0.66494E-04 2724 0.664E-01 0.890E-02
DAV: 2 -0.196632748476E+04 -0.26520E-03 -0.50316E-03 1904 0.732E-02 0.960E-02
DAV: 3 -0.196632739799E+04 0.86763E-04 -0.16482E-03 2008 0.303E-02 0.662E-02
DAV: 4 -0.196632734485E+04 0.53146E-04 -0.30681E-04 1840 0.150E-02 0.220E-02
DAV: 5 -0.196632734499E+04 -0.13907E-06 -0.36991E-05 1472 0.725E-03
368 T= 4352. E= -.17857399E+04 F= -.19663273E+04 E0= -.19663523E+04 EK= 0.18059E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196614920286E+04 0.17814E+00 -0.26827E-04 2044 0.664E-01 0.669E-02
DAV: 2 -0.196614945613E+04 -0.25327E-03 -0.27666E-03 1912 0.559E-02 0.122E-01
DAV: 3 -0.196614932197E+04 0.13416E-03 -0.56994E-04 1992 0.256E-02 0.696E-02
DAV: 4 -0.196614927871E+04 0.43257E-04 -0.10759E-04 1792 0.138E-02 0.305E-02
DAV: 5 -0.196614927041E+04 0.83045E-05 -0.57013E-05 1216 0.688E-03
369 T= 4348. E= -.17857399E+04 F= -.19661493E+04 E0= -.19661753E+04 EK= 0.18041E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196597384126E+04 0.17544E+00 -0.57373E-04 2596 0.663E-01 0.677E-02
DAV: 2 -0.196597414182E+04 -0.30056E-03 -0.29897E-03 1952 0.574E-02 0.129E-01
DAV: 3 -0.196597399578E+04 0.14604E-03 -0.46888E-04 1990 0.268E-02 0.750E-02
DAV: 4 -0.196597394289E+04 0.52893E-04 -0.10063E-04 1784 0.146E-02 0.283E-02
DAV: 5 -0.196597393566E+04 0.72274E-05 -0.33131E-05 1380 0.748E-03
370 T= 4344. E= -.17857399E+04 F= -.19659739E+04 E0= -.19660006E+04 EK= 0.18023E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196580157320E+04 0.17237E+00 -0.52779E-04 2670 0.663E-01 0.652E-02
DAV: 2 -0.196580183283E+04 -0.25964E-03 -0.34067E-03 1912 0.619E-02 0.970E-02
DAV: 3 -0.196580174822E+04 0.84614E-04 -0.49315E-04 1976 0.267E-02 0.731E-02
DAV: 4 -0.196580169771E+04 0.50508E-04 -0.85909E-05 1824 0.127E-02 0.335E-02
DAV: 5 -0.196580169171E+04 0.60068E-05 -0.23227E-05 1112 0.588E-03
371 T= 4340. E= -.17857397E+04 F= -.19658017E+04 E0= -.19658285E+04 EK= 0.18006E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196563282854E+04 0.16887E+00 -0.61872E-04 2734 0.670E-01 0.870E-02
DAV: 2 -0.196563303779E+04 -0.20926E-03 -0.44561E-03 1912 0.742E-02 0.691E-02
DAV: 3 -0.196563299486E+04 0.42929E-04 -0.50356E-04 1990 0.287E-02 0.598E-02
DAV: 4 -0.196563296444E+04 0.30420E-04 -0.10081E-04 1880 0.125E-02 0.305E-02
DAV: 5 -0.196563295886E+04 0.55790E-05 -0.21984E-05 1136 0.617E-03
372 T= 4336. E= -.17857396E+04 F= -.19656330E+04 E0= -.19656590E+04 EK= 0.17989E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196546841119E+04 0.16455E+00 -0.13521E-03 2806 0.677E-01 0.110E-01
DAV: 2 -0.196546846562E+04 -0.54429E-04 -0.54496E-03 1920 0.870E-02 0.863E-02
DAV: 3 -0.196546842394E+04 0.41683E-04 -0.10724E-03 1976 0.386E-02 0.785E-02
DAV: 4 -0.196546834440E+04 0.79542E-04 -0.41597E-04 1936 0.204E-02 0.367E-02
DAV: 5 -0.196546832463E+04 0.19766E-04 -0.10980E-04 1840 0.141E-02 0.332E-02
DAV: 6 -0.196546830799E+04 0.16638E-04 -0.55332E-05 1512 0.118E-02 0.336E-02
DAV: 7 -0.196546828041E+04 0.27586E-04 -0.60297E-05 1368 0.143E-02 0.201E-02
DAV: 8 -0.196546826344E+04 0.16966E-04 -0.63960E-05 1624 0.133E-02 0.142E-02
DAV: 9 -0.196546825956E+04 0.38845E-05 -0.27375E-05 1464 0.776E-03
373 T= 4332. E= -.17857395E+04 F= -.19654683E+04 E0= -.19654940E+04 EK= 0.17973E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196530775267E+04 0.16051E+00 -0.63453E-04 2598 0.660E-01 0.562E-02
DAV: 2 -0.196530782961E+04 -0.76937E-04 -0.17478E-03 1968 0.414E-02 0.412E-02
DAV: 3 -0.196530782458E+04 0.50327E-05 -0.17079E-04 1918 0.170E-02 0.418E-02
DAV: 4 -0.196530780900E+04 0.15574E-04 -0.64224E-05 1440 0.951E-03 0.298E-02
DAV: 5 -0.196530780515E+04 0.38534E-05 -0.33529E-05 1232 0.823E-03
374 T= 4328. E= -.17857395E+04 F= -.19653078E+04 E0= -.19653339E+04 EK= 0.17957E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196515177466E+04 0.15603E+00 -0.58321E-04 2422 0.660E-01 0.440E-02
DAV: 2 -0.196515196279E+04 -0.18813E-03 -0.18029E-03 2024 0.329E-02 0.120E-01
DAV: 3 -0.196515179884E+04 0.16395E-03 -0.53684E-04 1992 0.184E-02 0.370E-02
DAV: 4 -0.196515179494E+04 0.38905E-05 -0.49072E-05 1520 0.854E-03
375 T= 4324. E= -.17857395E+04 F= -.19651518E+04 E0= -.19651788E+04 EK= 0.17941E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196500031101E+04 0.15149E+00 -0.49074E-04 2204 0.661E-01 0.604E-02
DAV: 2 -0.196500061939E+04 -0.30838E-03 -0.32029E-03 2032 0.474E-02 0.141E-01
DAV: 3 -0.196500032823E+04 0.29117E-03 -0.10798E-03 2016 0.265E-02 0.412E-02
DAV: 4 -0.196500032607E+04 0.21595E-05 -0.68301E-05 1784 0.103E-02
376 T= 4320. E= -.17857396E+04 F= -.19650003E+04 E0= -.19650278E+04 EK= 0.17926E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196485329298E+04 0.14704E+00 -0.76593E-04 2814 0.658E-01 0.138E-01
DAV: 2 -0.196485661944E+04 -0.33265E-02 -0.62494E-03 2064 0.101E-01 0.587E-01
DAV: 3 -0.196485305365E+04 0.35658E-02 -0.27984E-03 2152 0.687E-02 0.717E-02
DAV: 4 -0.196485324785E+04 -0.19420E-03 -0.45117E-04 1848 0.223E-02 0.462E-02
DAV: 5 -0.196485322861E+04 0.19242E-04 -0.12435E-04 1888 0.117E-02 0.274E-02
DAV: 6 -0.196485318922E+04 0.39389E-04 -0.55242E-05 1816 0.169E-02 0.188E-02
DAV: 7 -0.196485316171E+04 0.27511E-04 -0.72806E-05 2024 0.193E-02 0.223E-02
DAV: 8 -0.196485314753E+04 0.14176E-04 -0.55928E-05 1920 0.136E-02 0.188E-02
DAV: 9 -0.196485313203E+04 0.15498E-04 -0.10492E-05 1264 0.118E-02 0.127E-02
DAV: 10 -0.196485312242E+04 0.96164E-05 -0.36372E-05 1648 0.149E-02
377 T= 4317. E= -.17857395E+04 F= -.19648531E+04 E0= -.19648800E+04 EK= 0.17911E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196471089162E+04 0.14224E+00 -0.10318E-03 2694 0.683E-01 0.135E-01
DAV: 2 -0.196471340214E+04 -0.25105E-02 -0.43963E-03 2088 0.910E-02 0.494E-01
DAV: 3 -0.196471045200E+04 0.29501E-02 -0.18769E-03 2208 0.632E-02 0.600E-02
DAV: 4 -0.196471053667E+04 -0.84667E-04 -0.47838E-04 1936 0.286E-02 0.565E-02
DAV: 5 -0.196471047130E+04 0.65372E-04 -0.33386E-04 2136 0.214E-02 0.345E-02
DAV: 6 -0.196471038499E+04 0.86306E-04 -0.10061E-04 1912 0.288E-02 0.240E-02
DAV: 7 -0.196471034461E+04 0.40383E-04 -0.10763E-04 2096 0.241E-02 0.239E-02
DAV: 8 -0.196471033002E+04 0.14585E-04 -0.81674E-05 1944 0.169E-02 0.176E-02
DAV: 9 -0.196471032542E+04 0.46022E-05 -0.30540E-05 1472 0.797E-03
378 T= 4313. E= -.17857395E+04 F= -.19647103E+04 E0= -.19647373E+04 EK= 0.17897E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196457148218E+04 0.13885E+00 -0.36900E-04 2120 0.658E-01 0.454E-02
DAV: 2 -0.196457170636E+04 -0.22418E-03 -0.10284E-03 1968 0.312E-02 0.141E-01
DAV: 3 -0.196457150751E+04 0.19885E-03 -0.14347E-04 1992 0.175E-02 0.370E-02
DAV: 4 -0.196457150878E+04 -0.12644E-05 -0.46468E-05 1704 0.953E-03
379 T= 4310. E= -.17857395E+04 F= -.19645715E+04 E0= -.19645990E+04 EK= 0.17883E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196443631005E+04 0.13520E+00 -0.89711E-04 2694 0.657E-01 0.864E-02
DAV: 2 -0.196443691053E+04 -0.60049E-03 -0.50197E-03 2072 0.584E-02 0.202E-01
DAV: 3 -0.196443625729E+04 0.65324E-03 -0.18197E-03 2142 0.367E-02 0.424E-02
DAV: 4 -0.196443628227E+04 -0.24974E-04 -0.10019E-04 1856 0.105E-02 0.355E-02
DAV: 5 -0.196443626936E+04 0.12906E-04 -0.14534E-05 1168 0.672E-03 0.207E-02
DAV: 6 -0.196443626281E+04 0.65477E-05 -0.20691E-05 1208 0.737E-03
380 T= 4307. E= -.17857395E+04 F= -.19644363E+04 E0= -.19644641E+04 EK= 0.17870E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196430402972E+04 0.13224E+00 -0.11023E-03 2614 0.657E-01 0.888E-02
DAV: 2 -0.196430472576E+04 -0.69604E-03 -0.76928E-03 2088 0.581E-02 0.231E-01
DAV: 3 -0.196430398581E+04 0.73995E-03 -0.47140E-03 2168 0.381E-02 0.370E-02
DAV: 4 -0.196430402484E+04 -0.39035E-04 -0.10072E-04 1800 0.109E-02 0.277E-02
DAV: 5 -0.196430401996E+04 0.48765E-05 -0.27218E-05 1216 0.788E-03
381 T= 4304. E= -.17857395E+04 F= -.19643040E+04 E0= -.19643323E+04 EK= 0.17856E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196417414099E+04 0.12988E+00 -0.48691E-04 1862 0.656E-01 0.844E-02
DAV: 2 -0.196417537996E+04 -0.12390E-02 -0.24124E-03 2112 0.598E-02 0.350E-01
DAV: 3 -0.196417408874E+04 0.12912E-02 -0.93871E-04 2158 0.417E-02 0.569E-02
DAV: 4 -0.196417414826E+04 -0.59520E-04 -0.13445E-04 1800 0.120E-02 0.299E-02
DAV: 5 -0.196417414676E+04 0.15016E-05 -0.21264E-05 1288 0.614E-03
382 T= 4300. E= -.17857396E+04 F= -.19641741E+04 E0= -.19642031E+04 EK= 0.17843E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196404582011E+04 0.12833E+00 -0.60166E-04 2726 0.658E-01 0.930E-02
DAV: 2 -0.196404709511E+04 -0.12750E-02 -0.29187E-03 2048 0.699E-02 0.322E-01
DAV: 3 -0.196404586783E+04 0.12273E-02 -0.84385E-04 2078 0.440E-02 0.692E-02
DAV: 4 -0.196404589277E+04 -0.24940E-04 -0.17114E-04 1816 0.144E-02 0.340E-02
DAV: 5 -0.196404588751E+04 0.52619E-05 -0.40110E-05 1600 0.807E-03
383 T= 4297. E= -.17857396E+04 F= -.19640459E+04 E0= -.19640754E+04 EK= 0.17831E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196391829408E+04 0.12760E+00 -0.53244E-04 2710 0.656E-01 0.889E-02
DAV: 2 -0.196391884916E+04 -0.55508E-03 -0.41973E-03 1952 0.735E-02 0.191E-01
DAV: 3 -0.196391848408E+04 0.36509E-03 -0.72064E-04 1966 0.364E-02 0.915E-02
DAV: 4 -0.196391842249E+04 0.61588E-04 -0.15576E-04 1856 0.169E-02 0.442E-02
DAV: 5 -0.196391841056E+04 0.11925E-04 -0.52986E-05 1688 0.907E-03 0.268E-02
DAV: 6 -0.196391839520E+04 0.15368E-04 -0.48054E-05 1720 0.119E-02 0.136E-02
DAV: 7 -0.196391839071E+04 0.44857E-05 -0.33958E-05 1664 0.104E-02
384 T= 4294. E= -.17857396E+04 F= -.19639184E+04 E0= -.19639488E+04 EK= 0.17818E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196379066757E+04 0.12773E+00 -0.47562E-04 2390 0.656E-01 0.565E-02
DAV: 2 -0.196379099475E+04 -0.32718E-03 -0.28244E-03 1952 0.510E-02 0.129E-01
DAV: 3 -0.196379078377E+04 0.21098E-03 -0.83600E-04 1952 0.250E-02 0.528E-02
DAV: 4 -0.196379077687E+04 0.68985E-05 -0.56550E-05 1704 0.912E-03
385 T= 4291. E= -.17857397E+04 F= -.19637908E+04 E0= -.19638226E+04 EK= 0.17805E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196366220582E+04 0.12858E+00 0.11481E-04 2286 0.656E-01 0.102E-01
DAV: 2 -0.196366239219E+04 -0.18637E-03 -0.31773E-03 1904 0.688E-02 0.156E-01
DAV: 3 -0.196366226677E+04 0.12542E-03 -0.53009E-04 2022 0.324E-02 0.105E-01
DAV: 4 -0.196366215722E+04 0.10955E-03 -0.15240E-04 1968 0.191E-02 0.372E-02
DAV: 5 -0.196366215308E+04 0.41369E-05 -0.78191E-05 1840 0.109E-02
386 T= 4288. E= -.17857398E+04 F= -.19636622E+04 E0= -.19636942E+04 EK= 0.17792E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196353158476E+04 0.13057E+00 -0.29171E-04 2038 0.653E-01 0.994E-02
DAV: 2 -0.196353194823E+04 -0.36347E-03 -0.29079E-03 1904 0.668E-02 0.183E-01
DAV: 3 -0.196353167374E+04 0.27449E-03 -0.66685E-04 2072 0.362E-02 0.105E-01
DAV: 4 -0.196353158701E+04 0.86734E-04 -0.17635E-04 1952 0.187E-02 0.366E-02
DAV: 5 -0.196353157641E+04 0.10592E-04 -0.93375E-05 1840 0.111E-02 0.253E-02
DAV: 6 -0.196353156576E+04 0.10653E-04 -0.23620E-05 1368 0.945E-03 0.148E-02
DAV: 7 -0.196353155833E+04 0.74262E-05 -0.14160E-05 1280 0.818E-03
387 T= 4285. E= -.17857398E+04 F= -.19635316E+04 E0= -.19635620E+04 EK= 0.17779E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196339818408E+04 0.13338E+00 -0.37748E-04 2054 0.658E-01 0.555E-02
DAV: 2 -0.196339838065E+04 -0.19656E-03 -0.14576E-03 2016 0.403E-02 0.120E-01
DAV: 3 -0.196339821140E+04 0.16924E-03 -0.27492E-04 1960 0.223E-02 0.597E-02
DAV: 4 -0.196339818988E+04 0.21517E-04 -0.56955E-05 1648 0.944E-03 0.306E-02
DAV: 5 -0.196339817655E+04 0.13330E-04 -0.38711E-05 1592 0.115E-02 0.341E-02
DAV: 6 -0.196339815570E+04 0.20856E-04 -0.58228E-05 1856 0.160E-02 0.196E-02
DAV: 7 -0.196339815190E+04 0.37964E-05 -0.43946E-05 1488 0.830E-03
388 T= 4282. E= -.17857398E+04 F= -.19633982E+04 E0= -.19634263E+04 EK= 0.17766E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196326122036E+04 0.13694E+00 -0.23881E-04 2630 0.657E-01 0.557E-02
DAV: 2 -0.196326125776E+04 -0.37397E-04 -0.12715E-03 2024 0.400E-02 0.685E-02
DAV: 3 -0.196326121305E+04 0.44705E-04 -0.26466E-04 1998 0.201E-02 0.430E-02
DAV: 4 -0.196326119790E+04 0.15157E-04 -0.61173E-05 1680 0.121E-02 0.435E-02
DAV: 5 -0.196326117000E+04 0.27892E-04 -0.24858E-05 1272 0.893E-03 0.185E-02
DAV: 6 -0.196326115024E+04 0.19768E-04 -0.19817E-05 1304 0.129E-02 0.179E-02
DAV: 7 -0.196326113272E+04 0.17516E-04 -0.36944E-05 1544 0.128E-02 0.126E-02
DAV: 8 -0.196326112063E+04 0.12089E-04 -0.20433E-05 1384 0.131E-02 0.960E-03
DAV: 9 -0.196326111713E+04 0.35030E-05 -0.29736E-05 1640 0.955E-03
389 T= 4278. E= -.17857399E+04 F= -.19632611E+04 E0= -.19632884E+04 EK= 0.17752E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196311967295E+04 0.14145E+00 -0.12540E-04 1910 0.656E-01 0.421E-02
DAV: 2 -0.196311974127E+04 -0.68322E-04 -0.94017E-04 1944 0.293E-02 0.561E-02
DAV: 3 -0.196311972345E+04 0.17825E-04 -0.10255E-04 1934 0.145E-02 0.455E-02
DAV: 4 -0.196311970708E+04 0.16369E-04 -0.32686E-05 1320 0.791E-03 0.242E-02
DAV: 5 -0.196311969871E+04 0.83662E-05 -0.20656E-05 1152 0.647E-03
390 T= 4275. E= -.17857399E+04 F= -.19631197E+04 E0= -.19631471E+04 EK= 0.17738E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196297316566E+04 0.14654E+00 0.13153E-04 1814 0.658E-01 0.303E-02
DAV: 2 -0.196297320803E+04 -0.42367E-04 -0.86871E-04 1936 0.282E-02 0.397E-02
DAV: 3 -0.196297318321E+04 0.24821E-04 -0.13034E-04 1936 0.136E-02 0.257E-02
DAV: 4 -0.196297317450E+04 0.87114E-05 -0.14305E-05 1200 0.617E-03
391 T= 4271. E= -.17857399E+04 F= -.19629732E+04 E0= -.19630005E+04 EK= 0.17723E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196282086383E+04 0.15232E+00 0.61514E-04 1366 0.660E-01 0.538E-02
DAV: 2 -0.196282114069E+04 -0.27686E-03 -0.13104E-03 2048 0.377E-02 0.161E-01
DAV: 3 -0.196282084890E+04 0.29179E-03 -0.36978E-04 2056 0.233E-02 0.458E-02
DAV: 4 -0.196282084017E+04 0.87321E-05 -0.63820E-05 1632 0.114E-02
392 T= 4268. E= -.17857400E+04 F= -.19628208E+04 E0= -.19628475E+04 EK= 0.17708E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196266197217E+04 0.15888E+00 0.89165E-06 2510 0.656E-01 0.614E-02
DAV: 2 -0.196266224994E+04 -0.27776E-03 -0.22823E-03 1976 0.536E-02 0.143E-01
DAV: 3 -0.196266204973E+04 0.20021E-03 -0.48742E-04 2016 0.255E-02 0.594E-02
DAV: 4 -0.196266203119E+04 0.18537E-04 -0.74424E-05 1808 0.129E-02 0.329E-02
DAV: 5 -0.196266201760E+04 0.13594E-04 -0.27678E-05 1240 0.739E-03 0.183E-02
DAV: 6 -0.196266199749E+04 0.20109E-04 -0.36456E-05 1648 0.129E-02 0.157E-02
DAV: 7 -0.196266198408E+04 0.13402E-04 -0.38411E-05 1616 0.125E-02 0.140E-02
DAV: 8 -0.196266197373E+04 0.10349E-04 -0.13411E-05 1360 0.134E-02 0.135E-02
DAV: 9 -0.196266196732E+04 0.64146E-05 -0.27927E-05 1624 0.138E-02
393 T= 4264. E= -.17857399E+04 F= -.19626620E+04 E0= -.19626868E+04 EK= 0.17692E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196249660498E+04 0.16537E+00 0.26574E-04 2118 0.661E-01 0.446E-02
DAV: 2 -0.196249655003E+04 0.54953E-04 -0.10615E-03 2048 0.426E-02 0.626E-02
DAV: 3 -0.196249649961E+04 0.50422E-04 -0.27943E-04 2008 0.212E-02 0.397E-02
DAV: 4 -0.196249642664E+04 0.72974E-04 -0.54155E-05 1568 0.208E-02 0.239E-02
DAV: 5 -0.196249636464E+04 0.61997E-04 -0.82951E-05 1992 0.292E-02 0.292E-02
DAV: 6 -0.196249633299E+04 0.31649E-04 -0.98803E-05 2096 0.248E-02 0.315E-02
DAV: 7 -0.196249632594E+04 0.70505E-05 -0.84737E-05 1856 0.126E-02
394 T= 4260. E= -.17857399E+04 F= -.19624963E+04 E0= -.19625203E+04 EK= 0.17676E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196232336006E+04 0.17297E+00 -0.34038E-04 2334 0.655E-01 0.503E-02
DAV: 2 -0.196232342742E+04 -0.67362E-04 -0.14076E-03 1960 0.369E-02 0.427E-02
DAV: 3 -0.196232342269E+04 0.47351E-05 -0.11981E-04 1896 0.144E-02 0.330E-02
DAV: 4 -0.196232342704E+04 -0.43571E-05 -0.35580E-05 1224 0.878E-03
395 T= 4256. E= -.17857398E+04 F= -.19623234E+04 E0= -.19623472E+04 EK= 0.17658E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196214296074E+04 0.18046E+00 -0.68056E-04 2822 0.657E-01 0.884E-02
DAV: 2 -0.196214378782E+04 -0.82708E-03 -0.28499E-03 2080 0.633E-02 0.256E-01
DAV: 3 -0.196214302893E+04 0.75889E-03 -0.69471E-04 2104 0.388E-02 0.824E-02
DAV: 4 -0.196214300684E+04 0.22097E-04 -0.20693E-04 1936 0.168E-02 0.298E-02
DAV: 5 -0.196214299838E+04 0.84565E-05 -0.47212E-05 1680 0.910E-03
396 T= 4251. E= -.17857398E+04 F= -.19621430E+04 E0= -.19621658E+04 EK= 0.17640E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196195484571E+04 0.18816E+00 -0.55051E-04 2590 0.655E-01 0.885E-02
DAV: 2 -0.196195566728E+04 -0.82158E-03 -0.28659E-03 2016 0.656E-02 0.276E-01
DAV: 3 -0.196195488960E+04 0.77768E-03 -0.72488E-04 2088 0.397E-02 0.834E-02
DAV: 4 -0.196195487662E+04 0.12985E-04 -0.19555E-04 1880 0.173E-02 0.350E-02
DAV: 5 -0.196195486382E+04 0.12799E-04 -0.57636E-05 1776 0.998E-03 0.221E-02
DAV: 6 -0.196195484335E+04 0.20466E-04 -0.54524E-05 1680 0.158E-02 0.172E-02
DAV: 7 -0.196195483534E+04 0.80070E-05 -0.59134E-05 1568 0.115E-02
397 T= 4247. E= -.17857397E+04 F= -.19619548E+04 E0= -.19619768E+04 EK= 0.17622E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196175874703E+04 0.19610E+00 -0.34967E-04 2606 0.650E-01 0.495E-02
DAV: 2 -0.196175905425E+04 -0.30722E-03 -0.15139E-03 2040 0.390E-02 0.141E-01
DAV: 3 -0.196175883715E+04 0.21710E-03 -0.21581E-04 2046 0.212E-02 0.481E-02
DAV: 4 -0.196175882682E+04 0.10322E-04 -0.65744E-05 1640 0.990E-03 0.206E-02
DAV: 5 -0.196175882334E+04 0.34864E-05 -0.36548E-05 1462 0.915E-03
398 T= 4242. E= -.17857397E+04 F= -.19617588E+04 E0= -.19617803E+04 EK= 0.17602E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196155488779E+04 0.20394E+00 -0.57692E-04 2654 0.650E-01 0.411E-02
DAV: 2 -0.196155506457E+04 -0.17678E-03 -0.16738E-03 2000 0.420E-02 0.101E-01
DAV: 3 -0.196155495469E+04 0.10988E-03 -0.33626E-04 2008 0.189E-02 0.415E-02
DAV: 4 -0.196155494579E+04 0.89012E-05 -0.37961E-05 1568 0.800E-03
399 T= 4237. E= -.17857397E+04 F= -.19615549E+04 E0= -.19615756E+04 EK= 0.17582E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196134308971E+04 0.21186E+00 -0.21826E-04 2166 0.649E-01 0.806E-02
DAV: 2 -0.196134367652E+04 -0.58681E-03 -0.37571E-03 1976 0.598E-02 0.223E-01
DAV: 3 -0.196134313279E+04 0.54373E-03 -0.14851E-03 2078 0.356E-02 0.742E-02
DAV: 4 -0.196134313014E+04 0.26561E-05 -0.16818E-04 1864 0.156E-02 0.404E-02
DAV: 5 -0.196134311148E+04 0.18654E-04 -0.61981E-05 1624 0.104E-02 0.195E-02
DAV: 6 -0.196134309530E+04 0.16180E-04 -0.64046E-05 1608 0.156E-02 0.241E-02
DAV: 7 -0.196134308621E+04 0.90947E-05 -0.10854E-04 1824 0.116E-02 0.168E-02
DAV: 8 -0.196134307955E+04 0.66560E-05 -0.17469E-05 1152 0.806E-03
400 T= 4232. E= -.17857396E+04 F= -.19613431E+04 E0= -.19613636E+04 EK= 0.17560E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196112331937E+04 0.21977E+00 -0.47300E-04 2100 0.659E-01 0.652E-02
DAV: 2 -0.196112377518E+04 -0.45581E-03 -0.27968E-03 1968 0.478E-02 0.192E-01
DAV: 3 -0.196112336525E+04 0.40993E-03 -0.88815E-04 2056 0.291E-02 0.563E-02
DAV: 4 -0.196112337372E+04 -0.84661E-05 -0.12214E-04 1784 0.133E-02 0.317E-02
DAV: 5 -0.196112335779E+04 0.15932E-04 -0.45419E-05 1400 0.101E-02 0.169E-02
DAV: 6 -0.196112334036E+04 0.17431E-04 -0.58962E-05 1448 0.169E-02 0.225E-02
DAV: 7 -0.196112333200E+04 0.83521E-05 -0.11262E-04 1840 0.126E-02 0.182E-02
DAV: 8 -0.196112332721E+04 0.47987E-05 -0.28143E-05 1184 0.712E-03
401 T= 4227. E= -.17857396E+04 F= -.19611233E+04 E0= -.19611438E+04 EK= 0.17538E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196089567558E+04 0.22766E+00 -0.22791E-04 2302 0.648E-01 0.412E-02
DAV: 2 -0.196089577010E+04 -0.94522E-04 -0.13108E-03 1944 0.317E-02 0.798E-02
DAV: 3 -0.196089572137E+04 0.48731E-04 -0.61151E-04 2014 0.153E-02 0.446E-02
DAV: 4 -0.196089571607E+04 0.53018E-05 -0.82859E-05 1440 0.810E-03
402 T= 4221. E= -.17857396E+04 F= -.19608957E+04 E0= -.19609154E+04 EK= 0.17516E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196066027287E+04 0.23545E+00 -0.42420E-04 2014 0.647E-01 0.647E-02
DAV: 2 -0.196066080284E+04 -0.52997E-03 -0.21500E-03 1952 0.470E-02 0.222E-01
DAV: 3 -0.196066030005E+04 0.50279E-03 -0.73434E-04 2016 0.281E-02 0.423E-02
DAV: 4 -0.196066033462E+04 -0.34566E-04 -0.26797E-04 1704 0.114E-02 0.449E-02
DAV: 5 -0.196066031991E+04 0.14712E-04 -0.14786E-04 1248 0.712E-03 0.121E-02
DAV: 6 -0.196066032156E+04 -0.16541E-05 -0.14156E-05 1000 0.504E-03
403 T= 4216. E= -.17857396E+04 F= -.19606603E+04 E0= -.19606800E+04 EK= 0.17492E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196041722892E+04 0.24309E+00 -0.36713E-04 2198 0.646E-01 0.595E-02
DAV: 2 -0.196041775136E+04 -0.52244E-03 -0.21183E-03 2008 0.431E-02 0.207E-01
DAV: 3 -0.196041727636E+04 0.47500E-03 -0.55586E-04 2064 0.264E-02 0.406E-02
DAV: 4 -0.196041730219E+04 -0.25821E-04 -0.20685E-04 1632 0.963E-03 0.357E-02
DAV: 5 -0.196041729366E+04 0.85266E-05 -0.78341E-05 1152 0.656E-03
404 T= 4210. E= -.17857395E+04 F= -.19604173E+04 E0= -.19604367E+04 EK= 0.17468E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196016672343E+04 0.25058E+00 -0.45815E-04 2630 0.646E-01 0.406E-02
DAV: 2 -0.196016693543E+04 -0.21200E-03 -0.17526E-03 1960 0.401E-02 0.102E-01
DAV: 3 -0.196016683748E+04 0.97956E-04 -0.26421E-04 2008 0.191E-02 0.567E-02
DAV: 4 -0.196016681277E+04 0.24708E-04 -0.58540E-05 1472 0.860E-03 0.231E-02
DAV: 5 -0.196016681256E+04 0.20697E-06 -0.12360E-05 1016 0.401E-03
405 T= 4204. E= -.17857395E+04 F= -.19601668E+04 E0= -.19601860E+04 EK= 0.17443E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195990896245E+04 0.25785E+00 -0.76006E-04 2654 0.646E-01 0.806E-02
DAV: 2 -0.195990953966E+04 -0.57721E-03 -0.70021E-03 1936 0.625E-02 0.234E-01
DAV: 3 -0.195990900574E+04 0.53392E-03 -0.45162E-03 2174 0.338E-02 0.736E-02
DAV: 4 -0.195990905486E+04 -0.49116E-04 -0.37659E-04 1768 0.152E-02 0.321E-02
DAV: 5 -0.195990904993E+04 0.49284E-05 -0.29887E-05 1240 0.674E-03
406 T= 4198. E= -.17857395E+04 F= -.19599090E+04 E0= -.19599279E+04 EK= 0.17417E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195964421303E+04 0.26484E+00 -0.63001E-04 2614 0.646E-01 0.105E-01
DAV: 2 -0.195964488917E+04 -0.67614E-03 -0.96719E-03 1952 0.761E-02 0.334E-01
DAV: 3 -0.195964416880E+04 0.72037E-03 -0.89004E-03 2246 0.405E-02 0.123E-01
DAV: 4 -0.195964429202E+04 -0.12322E-03 -0.44248E-04 1832 0.221E-02 0.590E-02
DAV: 5 -0.195964426492E+04 0.27095E-04 -0.85925E-05 1816 0.109E-02 0.215E-02
DAV: 6 -0.195964426323E+04 0.16897E-05 -0.20825E-05 1072 0.514E-03
407 T= 4191. E= -.17857394E+04 F= -.19596443E+04 E0= -.19596631E+04 EK= 0.17390E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195937266325E+04 0.27160E+00 -0.77831E-04 2700 0.644E-01 0.801E-02
DAV: 2 -0.195937297958E+04 -0.31633E-03 -0.47762E-03 1952 0.648E-02 0.173E-01
DAV: 3 -0.195937280076E+04 0.17882E-03 -0.29778E-03 2232 0.309E-02 0.119E-01
DAV: 4 -0.195937275417E+04 0.46597E-04 -0.47221E-04 1960 0.170E-02 0.354E-02
DAV: 5 -0.195937275783E+04 -0.36600E-05 -0.55514E-05 1408 0.771E-03
408 T= 4185. E= -.17857394E+04 F= -.19593728E+04 E0= -.19593914E+04 EK= 0.17363E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195909477515E+04 0.27798E+00 -0.64961E-04 2764 0.643E-01 0.680E-02
DAV: 2 -0.195909510254E+04 -0.32739E-03 -0.27707E-03 1960 0.565E-02 0.146E-01
DAV: 3 -0.195909490591E+04 0.19662E-03 -0.49347E-04 2008 0.278E-02 0.669E-02
DAV: 4 -0.195909488273E+04 0.23185E-04 -0.14481E-04 1832 0.137E-02 0.511E-02
DAV: 5 -0.195909486532E+04 0.17410E-04 -0.12291E-04 1272 0.742E-03 0.184E-02
DAV: 6 -0.195909486618E+04 -0.86185E-06 -0.23547E-05 984 0.455E-03
409 T= 4178. E= -.17857394E+04 F= -.19590949E+04 E0= -.19591134E+04 EK= 0.17336E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195881090212E+04 0.28396E+00 -0.41088E-04 2422 0.642E-01 0.630E-02
DAV: 2 -0.195881127298E+04 -0.37086E-03 -0.38145E-03 1952 0.551E-02 0.160E-01
DAV: 3 -0.195881102396E+04 0.24902E-03 -0.16656E-03 2070 0.266E-02 0.595E-02
DAV: 4 -0.195881101217E+04 0.11795E-04 -0.17441E-04 1744 0.129E-02 0.242E-02
DAV: 5 -0.195881101138E+04 0.78592E-06 -0.22619E-05 1040 0.533E-03
410 T= 4171. E= -.17857393E+04 F= -.19588110E+04 E0= -.19588293E+04 EK= 0.17307E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195852171145E+04 0.28930E+00 -0.39193E-04 2086 0.641E-01 0.823E-02
DAV: 2 -0.195852204914E+04 -0.33769E-03 -0.54555E-03 1928 0.648E-02 0.204E-01
DAV: 3 -0.195852178329E+04 0.26585E-03 -0.43238E-03 2198 0.317E-02 0.130E-01
DAV: 4 -0.195852175614E+04 0.27150E-04 -0.72841E-04 1944 0.189E-02 0.417E-02
DAV: 5 -0.195852175854E+04 -0.24044E-05 -0.76115E-05 1584 0.849E-03
411 T= 4164. E= -.17857393E+04 F= -.19585218E+04 E0= -.19585398E+04 EK= 0.17278E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195822775394E+04 0.29400E+00 -0.14143E-04 1262 0.640E-01 0.985E-02
DAV: 2 -0.195822823167E+04 -0.47773E-03 -0.39689E-03 1928 0.712E-02 0.276E-01
DAV: 3 -0.195822773850E+04 0.49317E-03 -0.34926E-03 2134 0.385E-02 0.135E-01
DAV: 4 -0.195822774514E+04 -0.66378E-05 -0.12927E-03 2088 0.219E-02 0.667E-02
DAV: 5 -0.195822772001E+04 0.25132E-04 -0.25374E-04 1760 0.115E-02 0.210E-02
DAV: 6 -0.195822771815E+04 0.18549E-05 -0.36195E-05 1112 0.588E-03
412 T= 4157. E= -.17857392E+04 F= -.19582277E+04 E0= -.19582458E+04 EK= 0.17249E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195792962083E+04 0.29810E+00 -0.22621E-04 2156 0.640E-01 0.797E-02
DAV: 2 -0.195793012491E+04 -0.50408E-03 -0.30361E-03 1928 0.607E-02 0.219E-01
DAV: 3 -0.195792970830E+04 0.41661E-03 -0.12640E-03 2080 0.329E-02 0.110E-01
DAV: 4 -0.195792969344E+04 0.14852E-04 -0.10115E-03 2000 0.171E-02 0.695E-02
DAV: 5 -0.195792966956E+04 0.23885E-04 -0.29387E-04 1696 0.101E-02 0.193E-02
DAV: 6 -0.195792967272E+04 -0.31661E-05 -0.14433E-05 984 0.466E-03
413 T= 4150. E= -.17857391E+04 F= -.19579297E+04 E0= -.19579477E+04 EK= 0.17219E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195762852348E+04 0.30115E+00 -0.31926E-04 2094 0.640E-01 0.619E-02
DAV: 2 -0.195762875979E+04 -0.23631E-03 -0.25959E-03 1920 0.533E-02 0.124E-01
DAV: 3 -0.195762863162E+04 0.12817E-03 -0.64610E-04 1982 0.253E-02 0.755E-02
DAV: 4 -0.195762858638E+04 0.45244E-04 -0.17678E-04 1848 0.136E-02 0.462E-02
DAV: 5 -0.195762857442E+04 0.11961E-04 -0.12428E-04 1248 0.715E-03 0.226E-02
DAV: 6 -0.195762857028E+04 0.41388E-05 -0.27724E-05 1096 0.544E-03
414 T= 4143. E= -.17857390E+04 F= -.19576286E+04 E0= -.19576465E+04 EK= 0.17189E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195732529093E+04 0.30328E+00 -0.76225E-04 2836 0.636E-01 0.701E-02
DAV: 2 -0.195732578059E+04 -0.48967E-03 -0.49268E-03 1968 0.605E-02 0.187E-01
DAV: 3 -0.195732542496E+04 0.35564E-03 -0.25584E-03 2184 0.318E-02 0.969E-02
DAV: 4 -0.195732540404E+04 0.20915E-04 -0.60692E-04 1952 0.140E-02 0.475E-02
DAV: 5 -0.195732539789E+04 0.61497E-05 -0.58696E-05 1184 0.733E-03
415 T= 4135. E= -.17857389E+04 F= -.19573254E+04 E0= -.19573433E+04 EK= 0.17159E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195702135167E+04 0.30405E+00 -0.31824E-04 1916 0.635E-01 0.102E-01
DAV: 2 -0.195702172741E+04 -0.37574E-03 -0.65952E-03 1944 0.787E-02 0.178E-01
DAV: 3 -0.195702153077E+04 0.19664E-03 -0.42613E-03 2192 0.389E-02 0.171E-01
DAV: 4 -0.195702140932E+04 0.12145E-03 -0.17740E-03 2072 0.205E-02 0.895E-02
DAV: 5 -0.195702139423E+04 0.15091E-04 -0.33758E-04 1744 0.135E-02 0.212E-02
DAV: 6 -0.195702139814E+04 -0.39099E-05 -0.29641E-05 1248 0.658E-03
416 T= 4128. E= -.17857388E+04 F= -.19570214E+04 E0= -.19570392E+04 EK= 0.17128E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195671794426E+04 0.30345E+00 -0.37384E-04 2558 0.634E-01 0.963E-02
DAV: 2 -0.195671821111E+04 -0.26685E-03 -0.43165E-03 1912 0.748E-02 0.140E-01
DAV: 3 -0.195671810243E+04 0.10868E-03 -0.18265E-03 2080 0.352E-02 0.114E-01
DAV: 4 -0.195671798647E+04 0.11596E-03 -0.72404E-04 2008 0.191E-02 0.405E-02
DAV: 5 -0.195671798995E+04 -0.34877E-05 -0.14100E-04 1736 0.859E-03 0.303E-02
DAV: 6 -0.195671798353E+04 0.64235E-05 -0.43006E-05 976 0.482E-03
417 T= 4121. E= -.17857387E+04 F= -.19567180E+04 E0= -.19567356E+04 EK= 0.17098E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195641658416E+04 0.30141E+00 -0.39729E-04 2046 0.633E-01 0.787E-02
DAV: 2 -0.195641705920E+04 -0.47503E-03 -0.39390E-03 1936 0.628E-02 0.204E-01
DAV: 3 -0.195641668082E+04 0.37838E-03 -0.13393E-03 2072 0.323E-02 0.909E-02
DAV: 4 -0.195641667319E+04 0.76257E-05 -0.64096E-04 1888 0.165E-02 0.838E-02
DAV: 5 -0.195641663091E+04 0.42281E-04 -0.35222E-04 1768 0.103E-02 0.241E-02
DAV: 6 -0.195641663874E+04 -0.78321E-05 -0.23422E-05 1040 0.548E-03
418 T= 4113. E= -.17857386E+04 F= -.19564166E+04 E0= -.19564343E+04 EK= 0.17068E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195611888572E+04 0.29775E+00 -0.27175E-04 2174 0.633E-01 0.644E-02
DAV: 2 -0.195611922679E+04 -0.34106E-03 -0.28756E-03 1936 0.559E-02 0.147E-01
DAV: 3 -0.195611903809E+04 0.18870E-03 -0.57726E-04 2032 0.266E-02 0.103E-01
DAV: 4 -0.195611898185E+04 0.56236E-04 -0.56403E-04 1888 0.143E-02 0.592E-02
DAV: 5 -0.195611897247E+04 0.93826E-05 -0.15119E-04 1384 0.809E-03 0.233E-02
DAV: 6 -0.195611897374E+04 -0.12641E-05 -0.89436E-06 952 0.390E-03
419 T= 4106. E= -.17857384E+04 F= -.19561190E+04 E0= -.19561365E+04 EK= 0.17038E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195582662220E+04 0.29235E+00 -0.23665E-04 1990 0.633E-01 0.839E-02
DAV: 2 -0.195582687623E+04 -0.25403E-03 -0.44032E-03 1912 0.698E-02 0.115E-01
DAV: 3 -0.195582675911E+04 0.11712E-03 -0.12666E-03 2038 0.322E-02 0.799E-02
DAV: 4 -0.195582669322E+04 0.65897E-04 -0.22392E-04 1928 0.160E-02 0.335E-02
DAV: 5 -0.195582668707E+04 0.61423E-05 -0.73135E-05 1422 0.756E-03
420 T= 4099. E= -.17857383E+04 F= -.19558267E+04 E0= -.19558441E+04 EK= 0.17009E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195554139460E+04 0.28530E+00 -0.38022E-04 2352 0.629E-01 0.101E-01
DAV: 2 -0.195554176458E+04 -0.36999E-03 -0.73908E-03 1944 0.775E-02 0.243E-01
DAV: 3 -0.195554157062E+04 0.19396E-03 -0.79758E-03 2192 0.375E-02 0.219E-01
DAV: 4 -0.195554137549E+04 0.19514E-03 -0.13470E-03 2040 0.255E-02 0.562E-02
DAV: 5 -0.195554141809E+04 -0.42605E-04 -0.82533E-05 1816 0.123E-02 0.263E-02
DAV: 6 -0.195554141231E+04 0.57847E-05 -0.31500E-05 1128 0.619E-03
421 T= 4092. E= -.17857382E+04 F= -.19555414E+04 E0= -.19555583E+04 EK= 0.16980E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195526455224E+04 0.27687E+00 -0.56517E-04 2544 0.630E-01 0.825E-02
DAV: 2 -0.195526495661E+04 -0.40437E-03 -0.64652E-03 1936 0.695E-02 0.215E-01
DAV: 3 -0.195526470994E+04 0.24667E-03 -0.51332E-03 2240 0.326E-02 0.178E-01
DAV: 4 -0.195526462140E+04 0.88547E-04 -0.10561E-03 1968 0.215E-02 0.566E-02
DAV: 5 -0.195526463440E+04 -0.12998E-04 -0.12067E-04 1792 0.110E-02 0.256E-02
DAV: 6 -0.195526462622E+04 0.81715E-05 -0.17668E-05 1144 0.597E-03
422 T= 4086. E= -.17857380E+04 F= -.19552646E+04 E0= -.19552804E+04 EK= 0.16953E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195499748397E+04 0.26715E+00 -0.32883E-05 2598 0.641E-01 0.702E-02
DAV: 2 -0.195499772242E+04 -0.23845E-03 -0.39603E-03 1920 0.658E-02 0.112E-01
DAV: 3 -0.195499765777E+04 0.64658E-04 -0.17956E-03 2120 0.280E-02 0.111E-01
DAV: 4 -0.195499757690E+04 0.80864E-04 -0.76540E-04 2064 0.156E-02 0.577E-02
DAV: 5 -0.195499757378E+04 0.31240E-05 -0.74637E-05 1296 0.813E-03
423 T= 4079. E= -.17857375E+04 F= -.19549976E+04 E0= -.19550109E+04 EK= 0.16926E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195474287470E+04 0.25470E+00 0.14227E-03 2846 0.664E-01 0.123E-01
DAV: 2 -0.195474269208E+04 0.18263E-03 -0.69443E-03 1952 0.965E-02 0.165E-01
DAV: 3 -0.195474278884E+04 -0.96759E-04 -0.80909E-03 2102 0.489E-02 0.308E-01
DAV: 4 -0.195474221540E+04 0.57343E-03 -0.39148E-03 2104 0.299E-02 0.916E-02
DAV: 5 -0.195474232383E+04 -0.10843E-03 -0.18296E-04 1856 0.220E-02 0.548E-02
DAV: 6 -0.195474227613E+04 0.47695E-04 -0.18470E-04 1984 0.172E-02 0.496E-02
DAV: 7 -0.195474217147E+04 0.10466E-03 -0.13805E-04 1960 0.243E-02 0.189E-02
DAV: 8 -0.195474213356E+04 0.37911E-04 -0.14331E-04 2000 0.268E-02 0.227E-02
DAV: 9 -0.195474213364E+04 -0.76019E-07 -0.14094E-04 1856 0.126E-02 0.183E-02
DAV: 10 -0.195474212729E+04 0.63518E-05 -0.14101E-05 1144 0.692E-03
424 T= 4073. E= -.17857373E+04 F= -.19547421E+04 E0= -.19547545E+04 EK= 0.16900E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195449954909E+04 0.24258E+00 -0.51084E-04 2340 0.633E-01 0.887E-02
DAV: 2 -0.195449958021E+04 -0.31112E-04 -0.35803E-03 1968 0.576E-02 0.141E-01
DAV: 3 -0.195449960749E+04 -0.27286E-04 -0.38150E-03 2136 0.320E-02 0.206E-01
DAV: 4 -0.195449934191E+04 0.26559E-03 -0.15365E-03 2072 0.209E-02 0.543E-02
DAV: 5 -0.195449938498E+04 -0.43079E-04 -0.20738E-04 1728 0.143E-02 0.338E-02
DAV: 6 -0.195449937233E+04 0.12651E-04 -0.92351E-05 1344 0.968E-03 0.311E-02
DAV: 7 -0.195449933987E+04 0.32460E-04 -0.44123E-05 1488 0.134E-02 0.146E-02
DAV: 8 -0.195449933463E+04 0.52470E-05 -0.79104E-05 1424 0.905E-03
425 T= 4067. E= -.17857372E+04 F= -.19544993E+04 E0= -.19545113E+04 EK= 0.16876E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195426986523E+04 0.22947E+00 -0.31657E-04 2374 0.626E-01 0.322E-02
DAV: 2 -0.195426994195E+04 -0.76723E-04 -0.11412E-03 1968 0.277E-02 0.650E-02
DAV: 3 -0.195426992074E+04 0.21217E-04 -0.29028E-04 1958 0.122E-02 0.589E-02
DAV: 4 -0.195426990368E+04 0.17058E-04 -0.12995E-04 1304 0.772E-03 0.314E-02
DAV: 5 -0.195426989804E+04 0.56341E-05 -0.58962E-05 1222 0.854E-03
426 T= 4062. E= -.17857371E+04 F= -.19542699E+04 E0= -.19542819E+04 EK= 0.16853E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195405418905E+04 0.21571E+00 -0.62528E-04 2654 0.626E-01 0.565E-02
DAV: 2 -0.195405459597E+04 -0.40691E-03 -0.34748E-03 2016 0.475E-02 0.177E-01
DAV: 3 -0.195405421836E+04 0.37760E-03 -0.15130E-03 2064 0.268E-02 0.586E-02
DAV: 4 -0.195405421946E+04 -0.10940E-05 -0.16790E-04 1816 0.102E-02 0.389E-02
DAV: 5 -0.195405421305E+04 0.64061E-05 -0.56641E-05 1088 0.566E-03
427 T= 4057. E= -.17857371E+04 F= -.19540542E+04 E0= -.19540659E+04 EK= 0.16832E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195385217527E+04 0.20204E+00 -0.15799E-03 2846 0.626E-01 0.974E-02
DAV: 2 -0.195385329870E+04 -0.11234E-02 -0.14238E-02 2024 0.730E-02 0.354E-01
DAV: 3 -0.195385231419E+04 0.98451E-03 -0.10681E-02 2288 0.435E-02 0.234E-01
DAV: 4 -0.195385221259E+04 0.10160E-03 -0.14730E-03 1840 0.231E-02 0.523E-02
DAV: 5 -0.195385227270E+04 -0.60107E-04 -0.57318E-05 1744 0.937E-03 0.403E-02
DAV: 6 -0.195385226216E+04 0.10539E-04 -0.16154E-05 1128 0.649E-03 0.361E-02
DAV: 7 -0.195385225306E+04 0.90950E-05 -0.37188E-05 1240 0.851E-03
428 T= 4052. E= -.17857371E+04 F= -.19538523E+04 E0= -.19538630E+04 EK= 0.16812E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195366339096E+04 0.18887E+00 -0.10583E-03 2918 0.631E-01 0.104E-01
DAV: 2 -0.195366443187E+04 -0.10409E-02 -0.11813E-02 1952 0.881E-02 0.290E-01
DAV: 3 -0.195366385115E+04 0.58072E-03 -0.67751E-03 2216 0.435E-02 0.228E-01
DAV: 4 -0.195366362057E+04 0.23058E-03 -0.18620E-03 2000 0.244E-02 0.682E-02
DAV: 5 -0.195366366384E+04 -0.43269E-04 -0.19194E-04 1768 0.139E-02 0.437E-02
DAV: 6 -0.195366365421E+04 0.96335E-05 -0.56416E-05 1568 0.885E-03
429 T= 4047. E= -.17857370E+04 F= -.19536637E+04 E0= -.19536749E+04 EK= 0.16793E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195348734167E+04 0.17632E+00 -0.15703E-03 3118 0.627E-01 0.107E-01
DAV: 2 -0.195348843309E+04 -0.10914E-02 -0.98069E-03 1912 0.992E-02 0.240E-01
DAV: 3 -0.195348781026E+04 0.62283E-03 -0.16991E-03 2016 0.460E-02 0.137E-01
DAV: 4 -0.195348772868E+04 0.81583E-04 -0.91325E-04 1952 0.213E-02 0.105E-01
DAV: 5 -0.195348768629E+04 0.42386E-04 -0.40900E-04 1848 0.122E-02 0.465E-02
DAV: 6 -0.195348768257E+04 0.37153E-05 -0.58110E-05 1416 0.843E-03
430 T= 4043. E= -.17857371E+04 F= -.19534877E+04 E0= -.19534981E+04 EK= 0.16775E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195332284854E+04 0.16484E+00 -0.15291E-03 3068 0.627E-01 0.126E-01
DAV: 2 -0.195332394720E+04 -0.10987E-02 -0.12357E-02 1896 0.113E-01 0.237E-01
DAV: 3 -0.195332338741E+04 0.55979E-03 -0.22264E-03 2032 0.515E-02 0.136E-01
DAV: 4 -0.195332325638E+04 0.13102E-03 -0.42244E-04 1896 0.250E-02 0.927E-02
DAV: 5 -0.195332322437E+04 0.32015E-04 -0.31568E-04 1832 0.114E-02 0.460E-02
DAV: 6 -0.195332322313E+04 0.12390E-05 -0.43521E-05 1088 0.658E-03
431 T= 4039. E= -.17857372E+04 F= -.19533232E+04 E0= -.19533336E+04 EK= 0.16759E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195316862351E+04 0.15460E+00 -0.10465E-03 3070 0.625E-01 0.145E-01
DAV: 2 -0.195316930690E+04 -0.68339E-03 -0.12240E-02 1880 0.121E-01 0.165E-01
DAV: 3 -0.195316914922E+04 0.15768E-03 -0.37362E-03 2126 0.514E-02 0.165E-01
DAV: 4 -0.195316894806E+04 0.20117E-03 -0.20345E-03 2096 0.262E-02 0.905E-02
DAV: 5 -0.195316893761E+04 0.10451E-04 -0.33129E-04 1872 0.124E-02 0.411E-02
DAV: 6 -0.195316893481E+04 0.27935E-05 -0.33270E-05 1200 0.730E-03
432 T= 4035. E= -.17857372E+04 F= -.19531689E+04 E0= -.19531784E+04 EK= 0.16743E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195302305905E+04 0.14588E+00 -0.76071E-04 2958 0.625E-01 0.140E-01
DAV: 2 -0.195302344515E+04 -0.38610E-03 -0.99799E-03 1856 0.116E-01 0.117E-01
DAV: 3 -0.195302348619E+04 -0.41037E-04 -0.34740E-03 2198 0.457E-02 0.217E-01
DAV: 4 -0.195302320838E+04 0.27781E-03 -0.22466E-03 2088 0.214E-02 0.716E-02
DAV: 5 -0.195302326699E+04 -0.58610E-04 -0.13875E-04 1680 0.123E-02 0.354E-02
DAV: 6 -0.195302325205E+04 0.14935E-04 -0.34997E-05 1472 0.853E-03 0.254E-02
DAV: 7 -0.195302323622E+04 0.15829E-04 -0.31163E-05 1328 0.804E-03 0.144E-02
DAV: 8 -0.195302321602E+04 0.20203E-04 -0.31805E-05 1384 0.118E-02 0.123E-02
DAV: 9 -0.195302320032E+04 0.15695E-04 -0.41490E-05 1640 0.114E-02 0.133E-02
DAV: 10 -0.195302319025E+04 0.10071E-04 -0.17282E-05 1288 0.749E-03 0.126E-02
DAV: 11 -0.195302318063E+04 0.96223E-05 -0.38317E-06 1120 0.544E-03
433 T= 4032. E= -.17857372E+04 F= -.19530232E+04 E0= -.19530311E+04 EK= 0.16729E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195288433095E+04 0.13886E+00 -0.46945E-04 1470 0.645E-01 0.683E-02
DAV: 2 -0.195288441965E+04 -0.88702E-04 -0.25859E-03 1928 0.562E-02 0.553E-02
DAV: 3 -0.195288438213E+04 0.37517E-04 -0.30673E-04 2078 0.228E-02 0.422E-02
DAV: 4 -0.195288438426E+04 -0.21298E-05 -0.25993E-04 1856 0.107E-02 0.593E-02
DAV: 5 -0.195288436505E+04 0.19216E-04 -0.16827E-04 1288 0.748E-03 0.301E-02
DAV: 6 -0.195288436019E+04 0.48585E-05 -0.56450E-05 1272 0.770E-03
434 T= 4028. E= -.17857371E+04 F= -.19528844E+04 E0= -.19528901E+04 EK= 0.16715E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195275159720E+04 0.13277E+00 -0.69908E-04 2196 0.649E-01 0.712E-02
DAV: 2 -0.195275151004E+04 0.87161E-04 -0.29131E-03 2184 0.570E-02 0.162E-01
DAV: 3 -0.195275126172E+04 0.24832E-03 -0.26102E-03 2064 0.310E-02 0.957E-02
DAV: 4 -0.195275125577E+04 0.59575E-05 -0.11053E-03 2072 0.193E-02 0.128E-01
DAV: 5 -0.195275108371E+04 0.17206E-03 -0.45091E-04 1928 0.220E-02 0.432E-02
DAV: 6 -0.195275098866E+04 0.95048E-04 -0.32294E-04 2088 0.349E-02 0.322E-02
DAV: 7 -0.195275093350E+04 0.55163E-04 -0.22138E-04 2032 0.249E-02 0.232E-02
DAV: 8 -0.195275092981E+04 0.36915E-05 -0.92489E-05 1856 0.118E-02
435 T= 4025. E= -.17857373E+04 F= -.19527509E+04 E0= -.19527554E+04 EK= 0.16701E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195262105697E+04 0.12988E+00 -0.10135E-03 1102 0.631E-01 0.665E-02
DAV: 2 -0.195262114235E+04 -0.85376E-04 -0.15333E-03 2008 0.372E-02 0.124E-01
DAV: 3 -0.195262098132E+04 0.16103E-03 -0.11015E-03 2070 0.226E-02 0.572E-02
DAV: 4 -0.195262100023E+04 -0.18914E-04 -0.57466E-04 1952 0.110E-02 0.970E-02
DAV: 5 -0.195262094527E+04 0.54965E-04 -0.35564E-04 1528 0.889E-03 0.402E-02
DAV: 6 -0.195262094287E+04 0.23951E-05 -0.11395E-04 1376 0.101E-02 0.206E-02
DAV: 7 -0.195262092690E+04 0.15975E-04 -0.48960E-05 1528 0.115E-02 0.885E-03
DAV: 8 -0.195262092589E+04 0.10085E-05 -0.25711E-05 1376 0.659E-03
436 T= 4022. E= -.17857373E+04 F= -.19526209E+04 E0= -.19526244E+04 EK= 0.16688E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195249302629E+04 0.12790E+00 0.24103E-03 1372 0.630E-01 0.516E-02
DAV: 2 -0.195249300677E+04 0.19525E-04 -0.77970E-04 1984 0.259E-02 0.528E-02
DAV: 3 -0.195249298902E+04 0.17746E-04 -0.24234E-04 1896 0.163E-02 0.505E-02
DAV: 4 -0.195249292606E+04 0.62959E-04 -0.97582E-05 1512 0.169E-02 0.233E-02
DAV: 5 -0.195249287370E+04 0.52362E-04 -0.27519E-05 1768 0.237E-02 0.202E-02
DAV: 6 -0.195249284580E+04 0.27899E-04 -0.10589E-04 1912 0.172E-02 0.132E-02
DAV: 7 -0.195249283070E+04 0.15103E-04 -0.36268E-05 1384 0.125E-02 0.120E-02
DAV: 8 -0.195249281874E+04 0.11959E-04 -0.25431E-05 1304 0.114E-02 0.145E-02
DAV: 9 -0.195249281777E+04 0.97048E-06 -0.63603E-05 1416 0.780E-03
437 T= 4019. E= -.17857374E+04 F= -.19524928E+04 E0= -.19524957E+04 EK= 0.16676E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195236504393E+04 0.12777E+00 -0.94482E-05 964 0.622E-01 0.315E-02
DAV: 2 -0.195236508359E+04 -0.39666E-04 -0.46680E-04 2008 0.171E-02 0.557E-02
DAV: 3 -0.195236507138E+04 0.12213E-04 -0.20600E-04 1406 0.749E-03 0.450E-02
DAV: 4 -0.195236505948E+04 0.11897E-04 -0.11322E-04 1248 0.793E-03 0.245E-02
DAV: 5 -0.195236505448E+04 0.50072E-05 -0.37561E-05 1192 0.650E-03
438 T= 4016. E= -.17857374E+04 F= -.19523651E+04 E0= -.19523676E+04 EK= 0.16663E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195223624825E+04 0.12881E+00 -0.17380E-04 1464 0.622E-01 0.424E-02
DAV: 2 -0.195223641006E+04 -0.16181E-03 -0.22792E-03 1992 0.310E-02 0.150E-01
DAV: 3 -0.195223627475E+04 0.13530E-03 -0.18556E-03 2120 0.173E-02 0.988E-02
DAV: 4 -0.195223625613E+04 0.18618E-04 -0.24566E-04 1592 0.104E-02 0.281E-02
DAV: 5 -0.195223626002E+04 -0.38819E-05 -0.21934E-05 1288 0.585E-03
439 T= 4013. E= -.17857375E+04 F= -.19522363E+04 E0= -.19522382E+04 EK= 0.16650E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195210520004E+04 0.13106E+00 -0.64467E-04 1670 0.621E-01 0.548E-02
DAV: 2 -0.195210542283E+04 -0.22278E-03 -0.20217E-03 2024 0.376E-02 0.127E-01
DAV: 3 -0.195210527368E+04 0.14915E-03 -0.10435E-03 2048 0.220E-02 0.120E-01
DAV: 4 -0.195210519914E+04 0.74546E-04 -0.43085E-04 1800 0.106E-02 0.258E-02
DAV: 5 -0.195210521628E+04 -0.17140E-04 -0.22816E-05 1144 0.578E-03 0.180E-02
DAV: 6 -0.195210521231E+04 0.39697E-05 -0.27312E-05 1112 0.729E-03
440 T= 4010. E= -.17857375E+04 F= -.19521052E+04 E0= -.19521073E+04 EK= 0.16637E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195197084169E+04 0.13437E+00 0.34649E-05 1734 0.623E-01 0.522E-02
DAV: 2 -0.195197109778E+04 -0.25609E-03 -0.19861E-03 1928 0.400E-02 0.110E-01
DAV: 3 -0.195197093968E+04 0.15810E-03 -0.27459E-04 1926 0.206E-02 0.549E-02
DAV: 4 -0.195197092523E+04 0.14453E-04 -0.12808E-04 1536 0.911E-03 0.412E-02
DAV: 5 -0.195197091783E+04 0.74019E-05 -0.66374E-05 1038 0.511E-03
441 T= 4006. E= -.17857375E+04 F= -.19519709E+04 E0= -.19519727E+04 EK= 0.16623E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195183252529E+04 0.13840E+00 -0.35528E-04 1864 0.622E-01 0.672E-02
DAV: 2 -0.195183267178E+04 -0.14649E-03 -0.26386E-03 1888 0.538E-02 0.115E-01
DAV: 3 -0.195183270382E+04 -0.32047E-04 -0.21044E-03 2104 0.238E-02 0.178E-01
DAV: 4 -0.195183251822E+04 0.18560E-03 -0.11131E-03 1944 0.155E-02 0.349E-02
DAV: 5 -0.195183256060E+04 -0.42379E-04 -0.77290E-05 1448 0.895E-03 0.175E-02
DAV: 6 -0.195183255398E+04 0.66253E-05 -0.33742E-05 1216 0.749E-03
442 T= 4003. E= -.17857376E+04 F= -.19518326E+04 E0= -.19518346E+04 EK= 0.16609E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195168936684E+04 0.14319E+00 -0.67693E-05 1144 0.620E-01 0.592E-02
DAV: 2 -0.195168953211E+04 -0.16527E-03 -0.18764E-03 1912 0.444E-02 0.115E-01
DAV: 3 -0.195168950169E+04 0.30418E-04 -0.91318E-04 2048 0.217E-02 0.151E-01
DAV: 4 -0.195168938727E+04 0.11442E-03 -0.10309E-03 1848 0.138E-02 0.510E-02
DAV: 5 -0.195168940678E+04 -0.19508E-04 -0.13022E-04 1312 0.877E-03 0.167E-02
DAV: 6 -0.195168940349E+04 0.32839E-05 -0.26079E-05 1088 0.684E-03
443 T= 4000. E= -.17857375E+04 F= -.19516894E+04 E0= -.19516911E+04 EK= 0.16595E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195154089707E+04 0.14851E+00 -0.24353E-04 1862 0.622E-01 0.406E-02
DAV: 2 -0.195154112944E+04 -0.23238E-03 -0.23458E-03 1944 0.408E-02 0.103E-01
DAV: 3 -0.195154100683E+04 0.12262E-03 -0.55855E-04 1950 0.191E-02 0.419E-02
DAV: 4 -0.195154099864E+04 0.81875E-05 -0.49995E-05 1552 0.786E-03
444 T= 3996. E= -.17857375E+04 F= -.19515410E+04 E0= -.19515426E+04 EK= 0.16580E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195138693148E+04 0.15408E+00 -0.28830E-04 2324 0.622E-01 0.847E-02
DAV: 2 -0.195138704918E+04 -0.11770E-03 -0.36214E-03 1904 0.671E-02 0.744E-02
DAV: 3 -0.195138700198E+04 0.47196E-04 -0.11970E-03 2016 0.279E-02 0.864E-02
DAV: 4 -0.195138697296E+04 0.29025E-04 -0.75473E-04 2040 0.130E-02 0.830E-02
DAV: 5 -0.195138693841E+04 0.34552E-04 -0.22031E-04 1408 0.904E-03 0.197E-02
DAV: 6 -0.195138693425E+04 0.41587E-05 -0.22236E-05 1296 0.804E-03
445 T= 3992. E= -.17857375E+04 F= -.19513869E+04 E0= -.19513886E+04 EK= 0.16565E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195122690936E+04 0.16003E+00 -0.34985E-04 1880 0.620E-01 0.991E-02
DAV: 2 -0.195122743902E+04 -0.52966E-03 -0.46345E-03 1896 0.702E-02 0.204E-01
DAV: 3 -0.195122694365E+04 0.49537E-03 -0.19353E-03 2016 0.381E-02 0.607E-02
DAV: 4 -0.195122692494E+04 0.18709E-04 -0.20177E-04 1856 0.172E-02 0.348E-02
DAV: 5 -0.195122692530E+04 -0.36170E-06 -0.16654E-04 1632 0.809E-03 0.418E-02
DAV: 6 -0.195122691674E+04 0.85632E-05 -0.78544E-05 1088 0.539E-03
446 T= 3988. E= -.17857375E+04 F= -.19512269E+04 E0= -.19512285E+04 EK= 0.16549E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195106080813E+04 0.16612E+00 -0.15058E-04 1686 0.620E-01 0.697E-02
DAV: 2 -0.195106134742E+04 -0.53929E-03 -0.34568E-03 1952 0.548E-02 0.207E-01
DAV: 3 -0.195106085352E+04 0.49389E-03 -0.13750E-03 1984 0.317E-02 0.438E-02
DAV: 4 -0.195106086321E+04 -0.96844E-05 -0.12064E-04 1824 0.123E-02 0.430E-02
DAV: 5 -0.195106085502E+04 0.81876E-05 -0.75031E-05 1088 0.551E-03
447 T= 3984. E= -.17857375E+04 F= -.19510609E+04 E0= -.19510625E+04 EK= 0.16532E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195088856831E+04 0.17229E+00 -0.47090E-04 2414 0.619E-01 0.664E-02
DAV: 2 -0.195088879907E+04 -0.23076E-03 -0.28388E-03 1960 0.554E-02 0.122E-01
DAV: 3 -0.195088872733E+04 0.71739E-04 -0.10051E-03 2088 0.271E-02 0.143E-01
DAV: 4 -0.195088862054E+04 0.10679E-03 -0.94447E-04 2008 0.146E-02 0.626E-02
DAV: 5 -0.195088862478E+04 -0.42443E-05 -0.17569E-04 1464 0.942E-03 0.239E-02
DAV: 6 -0.195088861660E+04 0.81779E-05 -0.27246E-05 1152 0.716E-03
448 T= 3980. E= -.17857375E+04 F= -.19508886E+04 E0= -.19508901E+04 EK= 0.16515E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195070993534E+04 0.17869E+00 -0.55675E-04 2838 0.619E-01 0.537E-02
DAV: 2 -0.195071023135E+04 -0.29601E-03 -0.36010E-03 1936 0.571E-02 0.103E-01
DAV: 3 -0.195071022283E+04 0.85180E-05 -0.11861E-03 2152 0.221E-02 0.142E-01
DAV: 4 -0.195071009801E+04 0.12482E-03 -0.61688E-04 1984 0.135E-02 0.384E-02
DAV: 5 -0.195071012442E+04 -0.26403E-04 -0.24866E-05 1152 0.600E-03 0.312E-02
DAV: 6 -0.195071011167E+04 0.12741E-04 -0.45863E-05 1416 0.998E-03 0.189E-02
DAV: 7 -0.195071010699E+04 0.46817E-05 -0.37954E-05 1520 0.868E-03
449 T= 3976. E= -.17857374E+04 F= -.19507101E+04 E0= -.19507117E+04 EK= 0.16497E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195052534943E+04 0.18476E+00 -0.37792E-04 2536 0.622E-01 0.267E-02
DAV: 2 -0.195052553698E+04 -0.18755E-03 -0.23222E-03 1928 0.428E-02 0.879E-02
DAV: 3 -0.195052549967E+04 0.37318E-04 -0.38852E-04 2008 0.146E-02 0.665E-02
DAV: 4 -0.195052548159E+04 0.18075E-04 -0.82032E-05 1224 0.692E-03 0.450E-02
DAV: 5 -0.195052546265E+04 0.18946E-04 -0.38790E-05 1376 0.895E-03 0.341E-02
DAV: 6 -0.195052544479E+04 0.17859E-04 -0.92632E-05 1824 0.142E-02 0.287E-02
DAV: 7 -0.195052543165E+04 0.13133E-04 -0.84047E-05 1856 0.151E-02 0.148E-02
DAV: 8 -0.195052543171E+04 -0.58266E-07 -0.26991E-05 1368 0.918E-03
450 T= 3971. E= -.17857374E+04 F= -.19505254E+04 E0= -.19505271E+04 EK= 0.16479E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195033455774E+04 0.19087E+00 -0.26699E-04 2318 0.617E-01 0.509E-02
DAV: 2 -0.195033458384E+04 -0.26108E-04 -0.98474E-04 2040 0.304E-02 0.805E-02
DAV: 3 -0.195033457794E+04 0.59010E-05 -0.74245E-04 1998 0.149E-02 0.779E-02
DAV: 4 -0.195033455800E+04 0.19943E-04 -0.35197E-04 1880 0.162E-02 0.262E-02
DAV: 5 -0.195033456007E+04 -0.20691E-05 -0.98104E-05 1280 0.820E-03
451 T= 3967. E= -.17857374E+04 F= -.19503346E+04 E0= -.19503362E+04 EK= 0.16460E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195013749508E+04 0.19706E+00 -0.36016E-04 2534 0.617E-01 0.649E-02
DAV: 2 -0.195013765006E+04 -0.15499E-03 -0.24463E-03 1960 0.478E-02 0.103E-01
DAV: 3 -0.195013758819E+04 0.61877E-04 -0.17386E-03 2096 0.237E-02 0.910E-02
DAV: 4 -0.195013758811E+04 0.78842E-07 -0.10324E-03 1920 0.122E-02 0.986E-02
DAV: 5 -0.195013753189E+04 0.56223E-04 -0.19468E-04 1456 0.924E-03 0.141E-02
DAV: 6 -0.195013754395E+04 -0.12069E-04 -0.22841E-05 1040 0.497E-03 0.870E-03
DAV: 7 -0.195013754149E+04 0.24641E-05 -0.11459E-05 1048 0.502E-03
452 T= 3962. E= -.17857374E+04 F= -.19501375E+04 E0= -.19501394E+04 EK= 0.16440E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194993433260E+04 0.20321E+00 -0.22465E-04 2174 0.615E-01 0.367E-02
DAV: 2 -0.194993453318E+04 -0.20058E-03 -0.15073E-03 1944 0.351E-02 0.971E-02
DAV: 3 -0.194993442113E+04 0.11205E-03 -0.18337E-04 1942 0.168E-02 0.383E-02
DAV: 4 -0.194993441796E+04 0.31658E-05 -0.91393E-05 1328 0.687E-03
453 T= 3957. E= -.17857374E+04 F= -.19499344E+04 E0= -.19499365E+04 EK= 0.16420E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194972512966E+04 0.20929E+00 -0.25620E-04 2318 0.615E-01 0.599E-02
DAV: 2 -0.194972524628E+04 -0.11662E-03 -0.19126E-03 1920 0.461E-02 0.635E-02
DAV: 3 -0.194972530249E+04 -0.56209E-04 -0.59189E-04 2064 0.201E-02 0.135E-01
DAV: 4 -0.194972518728E+04 0.11521E-03 -0.74200E-04 1880 0.125E-02 0.422E-02
DAV: 5 -0.194972520475E+04 -0.17464E-04 -0.12798E-04 1272 0.750E-03 0.162E-02
DAV: 6 -0.194972520058E+04 0.41656E-05 -0.30079E-05 1072 0.660E-03
454 T= 3952. E= -.17857374E+04 F= -.19497252E+04 E0= -.19497273E+04 EK= 0.16399E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194950981015E+04 0.21539E+00 -0.26618E-04 2392 0.615E-01 0.594E-02
DAV: 2 -0.194950993437E+04 -0.12422E-03 -0.21036E-03 1912 0.486E-02 0.398E-02
DAV: 3 -0.194950992285E+04 0.11524E-04 -0.20091E-04 2080 0.177E-02 0.463E-02
DAV: 4 -0.194950991111E+04 0.11737E-04 -0.10981E-04 1288 0.715E-03 0.278E-02
DAV: 5 -0.194950991062E+04 0.48747E-06 -0.54903E-05 1016 0.468E-03
455 T= 3947. E= -.17857374E+04 F= -.19495099E+04 E0= -.19495121E+04 EK= 0.16377E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194928846386E+04 0.22145E+00 -0.41438E-04 2630 0.615E-01 0.468E-02
DAV: 2 -0.194928864744E+04 -0.18358E-03 -0.22880E-03 1936 0.451E-02 0.741E-02
DAV: 3 -0.194928858113E+04 0.66311E-04 -0.45075E-04 2016 0.184E-02 0.463E-02
DAV: 4 -0.194928856239E+04 0.18741E-04 -0.11656E-04 1592 0.912E-03 0.252E-02
DAV: 5 -0.194928856098E+04 0.14064E-05 -0.25546E-05 976 0.411E-03
456 T= 3942. E= -.17857374E+04 F= -.19492886E+04 E0= -.19492909E+04 EK= 0.16355E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194906102927E+04 0.22753E+00 -0.66200E-04 2806 0.614E-01 0.747E-02
DAV: 2 -0.194906138227E+04 -0.35301E-03 -0.53928E-03 1944 0.571E-02 0.221E-01
DAV: 3 -0.194906113907E+04 0.24321E-03 -0.45212E-03 2296 0.275E-02 0.155E-01
DAV: 4 -0.194906108878E+04 0.50287E-04 -0.79363E-04 1928 0.183E-02 0.357E-02
DAV: 5 -0.194906109852E+04 -0.97426E-05 -0.76846E-05 1720 0.983E-03
457 T= 3936. E= -.17857374E+04 F= -.19490611E+04 E0= -.19490634E+04 EK= 0.16332E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194882741392E+04 0.23367E+00 -0.58339E-04 2790 0.612E-01 0.952E-02
DAV: 2 -0.194882826923E+04 -0.85531E-03 -0.45389E-03 1976 0.724E-02 0.319E-01
DAV: 3 -0.194882751678E+04 0.75245E-03 -0.39859E-03 2144 0.430E-02 0.189E-01
DAV: 4 -0.194882746670E+04 0.50074E-04 -0.24053E-03 2056 0.214E-02 0.796E-02
DAV: 5 -0.194882746048E+04 0.62205E-05 -0.35877E-04 1872 0.130E-02 0.204E-02
DAV: 6 -0.194882746107E+04 -0.58567E-06 -0.37247E-05 1104 0.602E-03
458 T= 3931. E= -.17857373E+04 F= -.19488275E+04 E0= -.19488301E+04 EK= 0.16309E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194858758045E+04 0.23988E+00 -0.29165E-04 2300 0.612E-01 0.793E-02
DAV: 2 -0.194858821755E+04 -0.63710E-03 -0.33987E-03 1952 0.631E-02 0.224E-01
DAV: 3 -0.194858768112E+04 0.53643E-03 -0.11045E-03 2032 0.366E-02 0.125E-01
DAV: 4 -0.194858765053E+04 0.30595E-04 -0.11807E-03 2016 0.146E-02 0.729E-02
DAV: 5 -0.194858763512E+04 0.15405E-04 -0.22097E-04 1592 0.102E-02 0.207E-02
DAV: 6 -0.194858763454E+04 0.58374E-06 -0.24144E-05 1072 0.612E-03
459 T= 3925. E= -.17857373E+04 F= -.19485876E+04 E0= -.19485903E+04 EK= 0.16285E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194834140398E+04 0.24623E+00 -0.13393E-04 2326 0.611E-01 0.485E-02
DAV: 2 -0.194834164848E+04 -0.24450E-03 -0.22081E-03 1920 0.476E-02 0.106E-01
DAV: 3 -0.194834153656E+04 0.11192E-03 -0.20118E-04 2008 0.208E-02 0.617E-02
DAV: 4 -0.194834151651E+04 0.20046E-04 -0.18836E-04 1776 0.105E-02 0.467E-02
DAV: 5 -0.194834150799E+04 0.85223E-05 -0.74991E-05 1070 0.551E-03
460 T= 3919. E= -.17857374E+04 F= -.19483415E+04 E0= -.19483444E+04 EK= 0.16260E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194808878824E+04 0.25273E+00 -0.28285E-04 2526 0.612E-01 0.639E-02
DAV: 2 -0.194808913114E+04 -0.34290E-03 -0.41639E-03 1864 0.654E-02 0.105E-01
DAV: 3 -0.194808904448E+04 0.86659E-04 -0.48101E-04 2032 0.256E-02 0.112E-01
DAV: 4 -0.194808897169E+04 0.72796E-04 -0.47469E-04 1928 0.129E-02 0.477E-02
DAV: 5 -0.194808897926E+04 -0.75702E-05 -0.63874E-05 1168 0.643E-03
461 T= 3913. E= -.17857373E+04 F= -.19480890E+04 E0= -.19480921E+04 EK= 0.16235E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194782995553E+04 0.25902E+00 -0.43615E-04 2790 0.612E-01 0.135E-01
DAV: 2 -0.194783029628E+04 -0.34075E-03 -0.89673E-03 1864 0.105E-01 0.164E-01
DAV: 3 -0.194783035613E+04 -0.59852E-04 -0.59867E-03 2086 0.475E-02 0.258E-01
DAV: 4 -0.194782996922E+04 0.38691E-03 -0.35469E-03 2096 0.258E-02 0.926E-02
DAV: 5 -0.194783001367E+04 -0.44447E-04 -0.36082E-04 1840 0.158E-02 0.293E-02
DAV: 6 -0.194783001214E+04 0.15305E-05 -0.40226E-05 1512 0.717E-03
462 T= 3907. E= -.17857373E+04 F= -.19478300E+04 E0= -.19478330E+04 EK= 0.16209E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194756458750E+04 0.26543E+00 -0.53197E-04 2788 0.609E-01 0.135E-01
DAV: 2 -0.194756478160E+04 -0.19410E-03 -0.73575E-03 1896 0.992E-02 0.128E-01
DAV: 3 -0.194756480640E+04 -0.24803E-04 -0.40725E-03 2104 0.453E-02 0.178E-01
DAV: 4 -0.194756463245E+04 0.17395E-03 -0.29643E-03 2112 0.237E-02 0.120E-01
DAV: 5 -0.194756457771E+04 0.54734E-04 -0.51340E-04 1984 0.144E-02 0.276E-02
DAV: 6 -0.194756458802E+04 -0.10303E-04 -0.32229E-05 1376 0.711E-03 0.162E-02
DAV: 7 -0.194756458163E+04 0.63852E-05 -0.14693E-05 1008 0.609E-03
463 T= 3900. E= -.17857373E+04 F= -.19475646E+04 E0= -.19475678E+04 EK= 0.16183E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194729257811E+04 0.27201E+00 -0.28354E-04 2644 0.609E-01 0.664E-02
DAV: 2 -0.194729274843E+04 -0.17031E-03 -0.29766E-03 1904 0.579E-02 0.623E-02
DAV: 3 -0.194729275057E+04 -0.21418E-05 -0.58276E-04 2160 0.232E-02 0.999E-02
DAV: 4 -0.194729268726E+04 0.63312E-04 -0.39380E-04 1944 0.114E-02 0.357E-02
DAV: 5 -0.194729269501E+04 -0.77567E-05 -0.63266E-05 1104 0.601E-03
464 T= 3894. E= -.17857373E+04 F= -.19472927E+04 E0= -.19472962E+04 EK= 0.16156E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194701437832E+04 0.27831E+00 -0.21968E-04 2156 0.609E-01 0.577E-02
DAV: 2 -0.194701453821E+04 -0.15989E-03 -0.27540E-03 1904 0.535E-02 0.808E-02
DAV: 3 -0.194701451698E+04 0.21225E-04 -0.13815E-03 2104 0.221E-02 0.102E-01
DAV: 4 -0.194701445552E+04 0.61460E-04 -0.56915E-04 1984 0.120E-02 0.438E-02
DAV: 5 -0.194701445632E+04 -0.80015E-06 -0.31190E-05 1160 0.675E-03
465 T= 3887. E= -.17857373E+04 F= -.19470145E+04 E0= -.19470182E+04 EK= 0.16128E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194672994719E+04 0.28451E+00 -0.26224E-04 1996 0.608E-01 0.857E-02
DAV: 2 -0.194673014936E+04 -0.20217E-03 -0.43095E-03 1936 0.661E-02 0.973E-02
DAV: 3 -0.194673002786E+04 0.12149E-03 -0.18072E-03 2024 0.306E-02 0.685E-02
DAV: 4 -0.194673001071E+04 0.17152E-04 -0.56787E-04 1976 0.147E-02 0.745E-02
DAV: 5 -0.194672997797E+04 0.32742E-04 -0.17613E-04 1416 0.843E-03 0.195E-02
DAV: 6 -0.194672998153E+04 -0.35626E-05 -0.23216E-05 1056 0.579E-03
466 T= 3880. E= -.17857373E+04 F= -.19467300E+04 E0= -.19467335E+04 EK= 0.16099E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194643946983E+04 0.29051E+00 -0.25303E-04 2254 0.608E-01 0.780E-02
DAV: 2 -0.194643974940E+04 -0.27956E-03 -0.38926E-03 1920 0.633E-02 0.121E-01
DAV: 3 -0.194643959311E+04 0.15629E-03 -0.11871E-03 2048 0.300E-02 0.658E-02
DAV: 4 -0.194643955126E+04 0.41857E-04 -0.16094E-04 1888 0.144E-02 0.248E-02
DAV: 5 -0.194643954849E+04 0.27629E-05 -0.37299E-05 1272 0.652E-03
467 T= 3873. E= -.17857373E+04 F= -.19464395E+04 E0= -.19464435E+04 EK= 0.16070E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194614354309E+04 0.29601E+00 -0.33761E-05 1396 0.608E-01 0.765E-02
DAV: 2 -0.194614386870E+04 -0.32561E-03 -0.37496E-03 1912 0.619E-02 0.208E-01
DAV: 3 -0.194614361845E+04 0.25025E-03 -0.28789E-03 2192 0.302E-02 0.140E-01
DAV: 4 -0.194614357916E+04 0.39290E-04 -0.10481E-03 2016 0.189E-02 0.510E-02
DAV: 5 -0.194614357325E+04 0.59130E-05 -0.11393E-04 1648 0.972E-03 0.191E-02
DAV: 6 -0.194614356381E+04 0.94404E-05 -0.39337E-05 1520 0.915E-03
468 T= 3866. E= -.17857372E+04 F= -.19461436E+04 E0= -.19461473E+04 EK= 0.16041E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194584238809E+04 0.30119E+00 -0.79578E-05 1702 0.606E-01 0.500E-02
DAV: 2 -0.194584262746E+04 -0.23937E-03 -0.22423E-03 1920 0.472E-02 0.138E-01
DAV: 3 -0.194584252754E+04 0.99921E-04 -0.10481E-03 2182 0.188E-02 0.953E-02
DAV: 4 -0.194584249108E+04 0.36464E-04 -0.41833E-04 1864 0.130E-02 0.332E-02
DAV: 5 -0.194584249284E+04 -0.17628E-05 -0.36140E-05 1134 0.630E-03
469 T= 3859. E= -.17857372E+04 F= -.19458425E+04 E0= -.19458464E+04 EK= 0.16011E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194553689628E+04 0.30559E+00 -0.29122E-04 2488 0.606E-01 0.615E-02
DAV: 2 -0.194553719254E+04 -0.29626E-03 -0.37307E-03 1912 0.594E-02 0.110E-01
DAV: 3 -0.194553706754E+04 0.12499E-03 -0.92094E-04 2024 0.254E-02 0.103E-01
DAV: 4 -0.194553701129E+04 0.56254E-04 -0.43430E-04 2008 0.120E-02 0.387E-02
DAV: 5 -0.194553701592E+04 -0.46328E-05 -0.33067E-05 1064 0.609E-03
470 T= 3851. E= -.17857372E+04 F= -.19455370E+04 E0= -.19455410E+04 EK= 0.15980E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194522770408E+04 0.30931E+00 -0.47036E-04 2822 0.606E-01 0.952E-02
DAV: 2 -0.194522821064E+04 -0.50656E-03 -0.63404E-03 1904 0.850E-02 0.144E-01
DAV: 3 -0.194522801347E+04 0.19717E-03 -0.55248E-04 2016 0.355E-02 0.114E-01
DAV: 4 -0.194522791995E+04 0.93520E-04 -0.50327E-04 1960 0.186E-02 0.672E-02
DAV: 5 -0.194522790668E+04 0.13265E-04 -0.20691E-04 1760 0.933E-03 0.346E-02
DAV: 6 -0.194522790072E+04 0.59575E-05 -0.23056E-05 968 0.571E-03
471 T= 3844. E= -.17857371E+04 F= -.19452279E+04 E0= -.19452319E+04 EK= 0.15949E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194491572943E+04 0.31218E+00 -0.99879E-04 3028 0.606E-01 0.103E-01
DAV: 2 -0.194491641472E+04 -0.68530E-03 -0.79637E-03 1888 0.955E-02 0.161E-01
DAV: 3 -0.194491615361E+04 0.26112E-03 -0.75785E-04 2032 0.399E-02 0.103E-01
DAV: 4 -0.194491606155E+04 0.92053E-04 -0.29574E-04 1896 0.207E-02 0.603E-02
DAV: 5 -0.194491605185E+04 0.97036E-05 -0.13936E-04 1744 0.880E-03 0.368E-02
DAV: 6 -0.194491603959E+04 0.12265E-04 -0.28976E-05 1240 0.798E-03 0.244E-02
DAV: 7 -0.194491603315E+04 0.64306E-05 -0.29997E-05 1256 0.740E-03
472 T= 3836. E= -.17857370E+04 F= -.19449160E+04 E0= -.19449199E+04 EK= 0.15918E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194460225901E+04 0.31378E+00 -0.41493E-04 2852 0.606E-01 0.733E-02
DAV: 2 -0.194460267279E+04 -0.41378E-03 -0.52972E-03 1880 0.756E-02 0.108E-01
DAV: 3 -0.194460256203E+04 0.11076E-03 -0.37072E-04 2118 0.293E-02 0.793E-02
DAV: 4 -0.194460251324E+04 0.48790E-04 -0.13696E-04 1832 0.141E-02 0.457E-02
DAV: 5 -0.194460250984E+04 0.33943E-05 -0.54760E-05 1088 0.596E-03
473 T= 3829. E= -.17857370E+04 F= -.19446025E+04 E0= -.19446062E+04 EK= 0.15887E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194428817716E+04 0.31434E+00 -0.45055E-04 2872 0.605E-01 0.101E-01
DAV: 2 -0.194428850404E+04 -0.32688E-03 -0.64482E-03 1880 0.883E-02 0.885E-02
DAV: 3 -0.194428847247E+04 0.31565E-04 -0.10402E-03 2224 0.345E-02 0.129E-01
DAV: 4 -0.194428836872E+04 0.10375E-03 -0.58195E-04 2048 0.149E-02 0.367E-02
DAV: 5 -0.194428837839E+04 -0.96706E-05 -0.63182E-05 1576 0.967E-03
474 T= 3821. E= -.17857369E+04 F= -.19442884E+04 E0= -.19442919E+04 EK= 0.15855E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194397467721E+04 0.31369E+00 -0.36619E-04 2798 0.604E-01 0.119E-01
DAV: 2 -0.194397495993E+04 -0.28272E-03 -0.69729E-03 1856 0.958E-02 0.947E-02
DAV: 3 -0.194397490345E+04 0.56483E-04 -0.10523E-03 2192 0.379E-02 0.942E-02
DAV: 4 -0.194397482419E+04 0.79254E-04 -0.48618E-04 2040 0.174E-02 0.378E-02
DAV: 5 -0.194397482546E+04 -0.12623E-05 -0.80167E-05 1528 0.767E-03
475 T= 3814. E= -.17857368E+04 F= -.19439748E+04 E0= -.19439782E+04 EK= 0.15824E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194366287858E+04 0.31195E+00 -0.16976E-04 2656 0.602E-01 0.107E-01
DAV: 2 -0.194366310083E+04 -0.22225E-03 -0.54272E-03 1872 0.853E-02 0.955E-02
DAV: 3 -0.194366310382E+04 -0.29824E-05 -0.19714E-03 2192 0.355E-02 0.138E-01
DAV: 4 -0.194366297172E+04 0.13210E-03 -0.10557E-03 2136 0.177E-02 0.464E-02
DAV: 5 -0.194366298185E+04 -0.10127E-04 -0.48971E-05 1432 0.834E-03 0.232E-02
DAV: 6 -0.194366297145E+04 0.10400E-04 -0.26521E-05 1200 0.845E-03 0.120E-02
DAV: 7 -0.194366296669E+04 0.47518E-05 -0.29672E-05 1312 0.868E-03
476 T= 3806. E= -.17857367E+04 F= -.19436630E+04 E0= -.19436662E+04 EK= 0.15793E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194335380767E+04 0.30916E+00 -0.84648E-05 1256 0.599E-01 0.500E-02
DAV: 2 -0.194335396693E+04 -0.15926E-03 -0.22346E-03 1896 0.489E-02 0.570E-02
DAV: 3 -0.194335391960E+04 0.47326E-04 -0.19420E-04 2152 0.183E-02 0.385E-02
DAV: 4 -0.194335391311E+04 0.64891E-05 -0.64177E-05 1392 0.738E-03
477 T= 3799. E= -.17857366E+04 F= -.19433539E+04 E0= -.19433575E+04 EK= 0.15762E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194304861292E+04 0.30531E+00 -0.18372E-04 1478 0.599E-01 0.847E-02
DAV: 2 -0.194304904390E+04 -0.43098E-03 -0.44941E-03 1920 0.639E-02 0.264E-01
DAV: 3 -0.194304862547E+04 0.41843E-03 -0.37047E-03 2262 0.321E-02 0.112E-01
DAV: 4 -0.194304860603E+04 0.19442E-04 -0.50561E-04 2000 0.191E-02 0.330E-02
DAV: 5 -0.194304859864E+04 0.73838E-05 -0.69973E-05 1808 0.954E-03
478 T= 3791. E= -.17857366E+04 F= -.19430486E+04 E0= -.19430526E+04 EK= 0.15731E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194274762142E+04 0.30098E+00 -0.31979E-04 2478 0.596E-01 0.103E-01
DAV: 2 -0.194274825847E+04 -0.63704E-03 -0.64204E-03 1952 0.758E-02 0.254E-01
DAV: 3 -0.194274765629E+04 0.60218E-03 -0.41137E-03 2216 0.405E-02 0.117E-01
DAV: 4 -0.194274767280E+04 -0.16510E-04 -0.10171E-03 2136 0.206E-02 0.643E-02
DAV: 5 -0.194274764006E+04 0.32745E-04 -0.92308E-05 1856 0.114E-02 0.231E-02
DAV: 6 -0.194274763605E+04 0.40033E-05 -0.23888E-05 1160 0.671E-03
479 T= 3784. E= -.17857365E+04 F= -.19427476E+04 E0= -.19427517E+04 EK= 0.15701E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194245158103E+04 0.29606E+00 -0.38437E-04 2704 0.603E-01 0.802E-02
DAV: 2 -0.194245221872E+04 -0.63769E-03 -0.46155E-03 1960 0.685E-02 0.199E-01
DAV: 3 -0.194245167863E+04 0.54009E-03 -0.12255E-03 1992 0.364E-02 0.562E-02
DAV: 4 -0.194245167648E+04 0.21512E-05 -0.11736E-04 1848 0.131E-02 0.364E-02
DAV: 5 -0.194245167380E+04 0.26834E-05 -0.20627E-05 1104 0.501E-03
480 T= 3777. E= -.17857365E+04 F= -.19424517E+04 E0= -.19424553E+04 EK= 0.15672E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194216105646E+04 0.29062E+00 -0.39368E-04 2494 0.603E-01 0.103E-01
DAV: 2 -0.194216140810E+04 -0.35164E-03 -0.62164E-03 1944 0.853E-02 0.198E-01
DAV: 3 -0.194216114455E+04 0.26355E-03 -0.30417E-03 2158 0.422E-02 0.138E-01
DAV: 4 -0.194216101628E+04 0.12827E-03 -0.72360E-04 2144 0.235E-02 0.558E-02
DAV: 5 -0.194216099309E+04 0.23196E-04 -0.14441E-04 1886 0.125E-02 0.294E-02
DAV: 6 -0.194216095334E+04 0.39746E-04 -0.10101E-04 1792 0.163E-02 0.315E-02
DAV: 7 -0.194216090462E+04 0.48720E-04 -0.12537E-04 2048 0.223E-02 0.207E-02
DAV: 8 -0.194216088880E+04 0.15816E-04 -0.74749E-05 1976 0.192E-02 0.228E-02
DAV: 9 -0.194216088235E+04 0.64540E-05 -0.55619E-05 1736 0.115E-02
481 T= 3770. E= -.17857364E+04 F= -.19421609E+04 E0= -.19421649E+04 EK= 0.15642E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194187543012E+04 0.28546E+00 -0.29222E-04 2254 0.599E-01 0.674E-02
DAV: 2 -0.194187554650E+04 -0.11638E-03 -0.25236E-03 2016 0.492E-02 0.124E-01
DAV: 3 -0.194187542850E+04 0.11799E-03 -0.12654E-03 2168 0.242E-02 0.829E-02
DAV: 4 -0.194187539386E+04 0.34647E-04 -0.29924E-04 1904 0.149E-02 0.397E-02
DAV: 5 -0.194187536754E+04 0.26314E-04 -0.68974E-05 1592 0.104E-02 0.210E-02
DAV: 6 -0.194187532765E+04 0.39890E-04 -0.53295E-05 1672 0.194E-02 0.273E-02
DAV: 7 -0.194187531002E+04 0.17631E-04 -0.74981E-05 1856 0.127E-02 0.162E-02
DAV: 8 -0.194187529801E+04 0.12013E-04 -0.17548E-05 1376 0.124E-02 0.957E-03
DAV: 9 -0.194187529787E+04 0.14252E-06 -0.41024E-05 1640 0.908E-03
482 T= 3763. E= -.17857364E+04 F= -.19418753E+04 E0= -.19418797E+04 EK= 0.15614E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194159454365E+04 0.28075E+00 -0.88565E-05 1496 0.593E-01 0.397E-02
DAV: 2 -0.194159458829E+04 -0.44640E-04 -0.71920E-04 1952 0.246E-02 0.410E-02
DAV: 3 -0.194159459352E+04 -0.52279E-05 -0.20831E-04 1648 0.103E-02 0.500E-02
DAV: 4 -0.194159457567E+04 0.17854E-04 -0.84656E-05 1264 0.678E-03 0.199E-02
DAV: 5 -0.194159457676E+04 -0.10963E-05 -0.27309E-05 1024 0.528E-03
483 T= 3756. E= -.17857365E+04 F= -.19415946E+04 E0= -.19415992E+04 EK= 0.15586E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194131811582E+04 0.27646E+00 -0.22922E-05 1270 0.592E-01 0.363E-02
DAV: 2 -0.194131823297E+04 -0.11715E-03 -0.69621E-04 1952 0.251E-02 0.909E-02
DAV: 3 -0.194131813106E+04 0.10191E-03 -0.24984E-04 1942 0.146E-02 0.180E-02
DAV: 4 -0.194131813660E+04 -0.55383E-05 -0.21623E-05 1216 0.522E-03
484 T= 3750. E= -.17857365E+04 F= -.19413181E+04 E0= -.19413233E+04 EK= 0.15558E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194104513375E+04 0.27300E+00 -0.22806E-04 2262 0.592E-01 0.498E-02
DAV: 2 -0.194104541053E+04 -0.27678E-03 -0.93804E-04 2048 0.330E-02 0.144E-01
DAV: 3 -0.194104515970E+04 0.25083E-03 -0.32149E-04 2144 0.214E-02 0.301E-02
DAV: 4 -0.194104517591E+04 -0.16209E-04 -0.92346E-05 1488 0.735E-03 0.234E-02
DAV: 5 -0.194104516953E+04 0.63741E-05 -0.27370E-05 1016 0.509E-03
485 T= 3743. E= -.17857365E+04 F= -.19410452E+04 E0= -.19410505E+04 EK= 0.15531E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194077462115E+04 0.27055E+00 -0.17958E-04 1694 0.592E-01 0.428E-02
DAV: 2 -0.194077482762E+04 -0.20647E-03 -0.11445E-03 1928 0.304E-02 0.137E-01
DAV: 3 -0.194077464997E+04 0.17766E-03 -0.50390E-04 2160 0.173E-02 0.359E-02
DAV: 4 -0.194077466154E+04 -0.11572E-04 -0.65269E-05 1360 0.768E-03 0.159E-02
DAV: 5 -0.194077465981E+04 0.17264E-05 -0.14498E-05 992 0.518E-03
486 T= 3737. E= -.17857366E+04 F= -.19407747E+04 E0= -.19407803E+04 EK= 0.15504E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194050544563E+04 0.26922E+00 -0.90650E-05 1574 0.590E-01 0.500E-02
DAV: 2 -0.194050569223E+04 -0.24661E-03 -0.18048E-03 1968 0.388E-02 0.132E-01
DAV: 3 -0.194050547550E+04 0.21673E-03 -0.60795E-04 2144 0.216E-02 0.352E-02
DAV: 4 -0.194050548411E+04 -0.86101E-05 -0.49772E-05 1560 0.719E-03
487 T= 3730. E= -.17857367E+04 F= -.19405055E+04 E0= -.19405118E+04 EK= 0.15477E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194023637792E+04 0.26910E+00 -0.26670E-04 2118 0.591E-01 0.766E-02
DAV: 2 -0.194023655124E+04 -0.17333E-03 -0.28101E-03 1928 0.581E-02 0.919E-02
DAV: 3 -0.194023644674E+04 0.10451E-03 -0.70577E-04 2080 0.275E-02 0.496E-02
DAV: 4 -0.194023642055E+04 0.26192E-04 -0.79876E-05 1832 0.119E-02 0.223E-02
DAV: 5 -0.194023641668E+04 0.38677E-05 -0.21007E-05 1104 0.581E-03
488 T= 3724. E= -.17857367E+04 F= -.19402364E+04 E0= -.19402430E+04 EK= 0.15450E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193996620785E+04 0.27021E+00 -0.42412E-04 2350 0.590E-01 0.875E-02
DAV: 2 -0.193996641213E+04 -0.20428E-03 -0.35952E-03 1912 0.615E-02 0.140E-01
DAV: 3 -0.193996626451E+04 0.14762E-03 -0.17897E-03 2216 0.305E-02 0.755E-02
DAV: 4 -0.193996622699E+04 0.37523E-04 -0.18991E-04 2064 0.147E-02 0.211E-02
DAV: 5 -0.193996622573E+04 0.12570E-05 -0.28966E-05 1296 0.702E-03
489 T= 3717. E= -.17857368E+04 F= -.19399662E+04 E0= -.19399735E+04 EK= 0.15423E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193969366591E+04 0.27256E+00 -0.13802E-04 2054 0.589E-01 0.613E-02
DAV: 2 -0.193969386167E+04 -0.19575E-03 -0.23153E-03 1920 0.493E-02 0.102E-01
DAV: 3 -0.193969374021E+04 0.12145E-03 -0.57271E-04 2214 0.238E-02 0.432E-02
DAV: 4 -0.193969372973E+04 0.10483E-04 -0.63469E-05 1728 0.102E-02 0.174E-02
DAV: 5 -0.193969372848E+04 0.12489E-05 -0.13912E-05 1040 0.483E-03
490 T= 3710. E= -.17857368E+04 F= -.19396937E+04 E0= -.19397013E+04 EK= 0.15396E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193941771169E+04 0.27602E+00 -0.25487E-04 2414 0.588E-01 0.497E-02
DAV: 2 -0.193941791784E+04 -0.20615E-03 -0.19906E-03 1944 0.466E-02 0.924E-02
DAV: 3 -0.193941781033E+04 0.10750E-03 -0.28609E-04 1992 0.215E-02 0.369E-02
DAV: 4 -0.193941780005E+04 0.10290E-04 -0.45942E-05 1712 0.856E-03 0.203E-02
DAV: 5 -0.193941779792E+04 0.21294E-05 -0.91940E-06 984 0.383E-03
491 T= 3704. E= -.17857369E+04 F= -.19394178E+04 E0= -.19394260E+04 EK= 0.15368E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193913727196E+04 0.28053E+00 -0.34207E-04 2630 0.588E-01 0.552E-02
DAV: 2 -0.193913748996E+04 -0.21799E-03 -0.25502E-03 1920 0.513E-02 0.783E-02
DAV: 3 -0.193913741313E+04 0.76833E-04 -0.27502E-04 1968 0.223E-02 0.437E-02
DAV: 4 -0.193913739624E+04 0.16886E-04 -0.61799E-05 1776 0.102E-02 0.216E-02
DAV: 5 -0.193913739341E+04 0.28268E-05 -0.14759E-05 1024 0.520E-03
492 T= 3697. E= -.17857369E+04 F= -.19391374E+04 E0= -.19391460E+04 EK= 0.15340E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193885150679E+04 0.28589E+00 -0.38939E-04 2744 0.587E-01 0.580E-02
DAV: 2 -0.193885171670E+04 -0.20990E-03 -0.30065E-03 1896 0.561E-02 0.637E-02
DAV: 3 -0.193885166706E+04 0.49643E-04 -0.20269E-04 2136 0.222E-02 0.420E-02
DAV: 4 -0.193885165385E+04 0.13202E-04 -0.56986E-05 1696 0.919E-03 0.232E-02
DAV: 5 -0.193885164941E+04 0.44479E-05 -0.13377E-05 984 0.530E-03
493 T= 3690. E= -.17857369E+04 F= -.19388516E+04 E0= -.19388610E+04 EK= 0.15311E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193855969326E+04 0.29196E+00 -0.20585E-04 2430 0.587E-01 0.680E-02
DAV: 2 -0.193855988580E+04 -0.19253E-03 -0.33981E-03 1888 0.639E-02 0.624E-02
DAV: 3 -0.193855983279E+04 0.53005E-04 -0.21154E-04 2190 0.235E-02 0.394E-02
DAV: 4 -0.193855982319E+04 0.96066E-05 -0.51916E-05 1672 0.872E-03
494 T= 3683. E= -.17857370E+04 F= -.19385598E+04 E0= -.19385698E+04 EK= 0.15282E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193826117704E+04 0.29866E+00 -0.45608E-04 2856 0.586E-01 0.871E-02
DAV: 2 -0.193826136103E+04 -0.18398E-03 -0.42519E-03 1880 0.724E-02 0.590E-02
DAV: 3 -0.193826130699E+04 0.54033E-04 -0.27342E-04 2240 0.267E-02 0.321E-02
DAV: 4 -0.193826130267E+04 0.43257E-05 -0.67433E-05 1736 0.100E-02
495 T= 3676. E= -.17857370E+04 F= -.19382613E+04 E0= -.19382717E+04 EK= 0.15252E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193795558272E+04 0.30572E+00 -0.24560E-04 2544 0.585E-01 0.910E-02
DAV: 2 -0.193795573213E+04 -0.14940E-03 -0.39925E-03 1888 0.719E-02 0.605E-02
DAV: 3 -0.193795568573E+04 0.46394E-04 -0.32007E-04 2176 0.270E-02 0.375E-02
DAV: 4 -0.193795567536E+04 0.10373E-04 -0.78607E-05 1760 0.107E-02 0.177E-02
DAV: 5 -0.193795567235E+04 0.30060E-05 -0.15173E-05 1024 0.551E-03
496 T= 3669. E= -.17857370E+04 F= -.19379557E+04 E0= -.19379669E+04 EK= 0.15222E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193764258279E+04 0.31309E+00 -0.15636E-04 1942 0.584E-01 0.707E-02
DAV: 2 -0.193764269990E+04 -0.11711E-03 -0.26212E-03 1872 0.581E-02 0.549E-02
DAV: 3 -0.193764266574E+04 0.34160E-04 -0.20589E-04 2200 0.222E-02 0.388E-02
DAV: 4 -0.193764265101E+04 0.14726E-04 -0.54990E-05 1720 0.944E-03 0.171E-02
DAV: 5 -0.193764264633E+04 0.46831E-05 -0.18352E-05 1064 0.600E-03
497 T= 3661. E= -.17857370E+04 F= -.19376426E+04 E0= -.19376542E+04 EK= 0.15191E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193732186501E+04 0.32079E+00 -0.41305E-04 2462 0.584E-01 0.512E-02
DAV: 2 -0.193732195551E+04 -0.90502E-04 -0.20633E-03 1928 0.476E-02 0.580E-02
DAV: 3 -0.193732189761E+04 0.57898E-04 -0.14796E-04 1960 0.182E-02 0.461E-02
DAV: 4 -0.193732188091E+04 0.16701E-04 -0.27144E-05 1352 0.664E-03 0.419E-02
DAV: 5 -0.193732190942E+04 -0.28512E-04 -0.10391E-05 1184 0.651E-03 0.417E-02
DAV: 6 -0.193732202517E+04 -0.11575E-03 -0.41979E-04 2192 0.344E-02 0.471E-02
DAV: 7 -0.193732211758E+04 -0.92400E-04 -0.25715E-04 1832 0.197E-02 0.546E-02
DAV: 8 -0.193732207147E+04 0.46101E-04 -0.10227E-04 1816 0.165E-02 0.495E-02
DAV: 9 -0.193732185025E+04 0.22123E-03 -0.59692E-04 2296 0.454E-02 0.527E-02
DAV: 10 -0.193732163149E+04 0.21876E-03 -0.56595E-04 2096 0.404E-02 0.633E-02
DAV: 11 -0.193732174020E+04 -0.10871E-03 -0.20450E-04 1904 0.190E-02 0.526E-02
DAV: 12 -0.193732176260E+04 -0.22406E-04 -0.33092E-05 1568 0.839E-03 0.489E-02
DAV: 13 -0.193732185445E+04 -0.91845E-04 -0.85472E-05 1816 0.233E-02 0.355E-02
DAV: 14 -0.193732196454E+04 -0.11009E-03 -0.38749E-04 2136 0.390E-02 0.271E-02
DAV: 15 -0.193732204797E+04 -0.83433E-04 -0.25190E-04 1880 0.188E-02 0.374E-02
DAV: 16 -0.193732210446E+04 -0.56488E-04 -0.45203E-05 1568 0.125E-02 0.451E-02
DAV: 17 -0.193732207174E+04 0.32721E-04 -0.31626E-05 1496 0.944E-03 0.427E-02
DAV: 18 -0.193732204056E+04 0.31175E-04 -0.27360E-05 1448 0.886E-03 0.388E-02
DAV: 19 -0.193732170007E+04 0.34050E-03 -0.10153E-03 2440 0.698E-02 0.605E-02
DAV: 20 -0.193732112500E+04 0.57507E-03 -0.15676E-03 2208 0.776E-02 0.837E-02
DAV: 21 -0.193732138051E+04 -0.25551E-03 -0.65868E-04 1856 0.320E-02 0.767E-02
DAV: 22 -0.193732136131E+04 0.19202E-04 -0.32560E-05 1448 0.588E-03 0.771E-02
DAV: 23 -0.193732145608E+04 -0.94773E-04 -0.32397E-05 1656 0.141E-02 0.711E-02
DAV: 24 -0.193732162015E+04 -0.16407E-03 -0.17497E-04 2064 0.284E-02 0.574E-02
DAV: 25 -0.193732171410E+04 -0.93954E-04 -0.17357E-04 1888 0.171E-02 0.538E-02
DAV: 26 -0.193732173847E+04 -0.24362E-04 -0.16541E-05 1224 0.480E-03 0.518E-02
DAV: 27 -0.193732174267E+04 -0.42007E-05 -0.12441E-06 896 0.122E-03
498 T= 3653. E= -.17857368E+04 F= -.19373217E+04 E0= -.19373321E+04 EK= 0.15158E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193699148392E+04 0.33025E+00 0.91341E-04 2712 0.598E-01 0.111E-01
DAV: 2 -0.193699129404E+04 0.18988E-03 -0.16645E-03 2128 0.599E-02 0.969E-02
DAV: 3 -0.193699120447E+04 0.89573E-04 -0.40849E-04 1896 0.286E-02 0.760E-02
DAV: 4 -0.193699114469E+04 0.59778E-04 -0.14843E-04 1888 0.188E-02 0.547E-02
DAV: 5 -0.193699105709E+04 0.87598E-04 -0.10508E-04 1920 0.233E-02 0.246E-02
DAV: 6 -0.193699103714E+04 0.19950E-04 -0.12306E-04 1960 0.170E-02 0.194E-02
DAV: 7 -0.193699103021E+04 0.69279E-05 -0.45244E-05 1664 0.935E-03
499 T= 3645. E= -.17857350E+04 F= -.19369910E+04 E0= -.19369982E+04 EK= 0.15126E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193666445883E+04 0.32658E+00 0.28517E-03 1576 0.702E-01 0.502E-01
DAV: 2 -0.193665722367E+04 0.72352E-02 -0.31404E-02 2632 0.253E-01 0.397E-01
DAV: 3 -0.193665526785E+04 0.19558E-02 -0.77402E-03 2016 0.969E-02 0.199E-01
DAV: 4 -0.193665526934E+04 -0.14954E-05 -0.26466E-03 1896 0.717E-02 0.229E-01
DAV: 5 -0.193665431407E+04 0.95528E-03 -0.94845E-04 2032 0.591E-02 0.652E-02
DAV: 6 -0.193665419294E+04 0.12113E-03 -0.54645E-04 2072 0.408E-02 0.399E-02
DAV: 7 -0.193665418270E+04 0.10232E-04 -0.26667E-04 1896 0.196E-02 0.338E-02
DAV: 8 -0.193665416077E+04 0.21931E-04 -0.35307E-05 1616 0.863E-03 0.178E-02
DAV: 9 -0.193665414508E+04 0.15693E-04 -0.15595E-05 1376 0.964E-03 0.655E-03
DAV: 10 -0.193665414139E+04 0.36940E-05 -0.12735E-05 1240 0.737E-03
500 T= 3637. E= -.17857350E+04 F= -.19366541E+04 E0= -.19366619E+04 EK= 0.15092E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193631236994E+04 0.34178E+00 0.15945E-03 2342 0.607E-01 0.200E-01
DAV: 2 -0.193631075172E+04 0.16182E-02 -0.21402E-03 2208 0.953E-02 0.164E-01
DAV: 3 -0.193631035291E+04 0.39882E-03 -0.12300E-03 1886 0.432E-02 0.110E-01
DAV: 4 -0.193631021484E+04 0.13806E-03 -0.49487E-04 1856 0.396E-02 0.111E-01
DAV: 5 -0.193630995665E+04 0.25820E-03 -0.32457E-04 2040 0.365E-02 0.358E-02
DAV: 6 -0.193630993328E+04 0.23370E-04 -0.20756E-04 2008 0.232E-02 0.234E-02
DAV: 7 -0.193630993162E+04 0.16612E-05 -0.68939E-05 1824 0.916E-03
501 T= 3629. E= -.17857349E+04 F= -.19363099E+04 E0= -.19363183E+04 EK= 0.15058E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193595867279E+04 0.35126E+00 -0.22775E-04 2398 0.578E-01 0.446E-02
DAV: 2 -0.193595869068E+04 -0.17887E-04 -0.99475E-04 1976 0.252E-02 0.292E-02
DAV: 3 -0.193595866387E+04 0.26812E-04 -0.83113E-05 1902 0.166E-02 0.287E-02
DAV: 4 -0.193595864130E+04 0.22574E-04 -0.45850E-05 1624 0.130E-02 0.205E-02
DAV: 5 -0.193595861946E+04 0.21837E-04 -0.20736E-05 1392 0.135E-02 0.998E-03
DAV: 6 -0.193595861662E+04 0.28388E-05 -0.24797E-05 1376 0.686E-03
502 T= 3620. E= -.17857349E+04 F= -.19359586E+04 E0= -.19359674E+04 EK= 0.15022E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193560052120E+04 0.35810E+00 -0.12074E-04 1886 0.581E-01 0.406E-02
DAV: 2 -0.193560057067E+04 -0.49474E-04 -0.78801E-04 1976 0.212E-02 0.263E-02
DAV: 3 -0.193560055771E+04 0.12964E-04 -0.51588E-05 1702 0.122E-02 0.196E-02
DAV: 4 -0.193560055224E+04 0.54650E-05 -0.34900E-05 1456 0.942E-03
503 T= 3612. E= -.17857348E+04 F= -.19356006E+04 E0= -.19356102E+04 EK= 0.14987E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193523598054E+04 0.36458E+00 -0.27638E-04 2638 0.577E-01 0.298E-02
DAV: 2 -0.193523607811E+04 -0.97575E-04 -0.94994E-04 2032 0.253E-02 0.463E-02
DAV: 3 -0.193523604906E+04 0.29052E-04 -0.49578E-05 1792 0.104E-02 0.203E-02
DAV: 4 -0.193523604673E+04 0.23240E-05 -0.13667E-05 1088 0.413E-03
504 T= 3603. E= -.17857348E+04 F= -.19352360E+04 E0= -.19352463E+04 EK= 0.14950E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193486536993E+04 0.37068E+00 -0.40190E-04 2662 0.576E-01 0.331E-02
DAV: 2 -0.193486549375E+04 -0.12383E-03 -0.11462E-03 2048 0.285E-02 0.506E-02
DAV: 3 -0.193486545047E+04 0.43286E-04 -0.79824E-05 1832 0.122E-02 0.195E-02
DAV: 4 -0.193486544850E+04 0.19646E-05 -0.14957E-05 1152 0.457E-03
505 T= 3594. E= -.17857348E+04 F= -.19348654E+04 E0= -.19348764E+04 EK= 0.14913E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193448902361E+04 0.37643E+00 -0.68706E-04 2774 0.574E-01 0.448E-02
DAV: 2 -0.193448917865E+04 -0.15504E-03 -0.18407E-03 2016 0.355E-02 0.570E-02
DAV: 3 -0.193448911482E+04 0.63838E-04 -0.22932E-04 1976 0.165E-02 0.223E-02
DAV: 4 -0.193448911321E+04 0.16077E-05 -0.26271E-05 1416 0.623E-03
506 T= 3585. E= -.17857347E+04 F= -.19344891E+04 E0= -.19345008E+04 EK= 0.14875E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193410728898E+04 0.38183E+00 -0.41195E-04 2494 0.574E-01 0.525E-02
DAV: 2 -0.193410744401E+04 -0.15503E-03 -0.19597E-03 1968 0.407E-02 0.530E-02
DAV: 3 -0.193410739664E+04 0.47367E-04 -0.21737E-04 1918 0.164E-02 0.235E-02
DAV: 4 -0.193410739096E+04 0.56887E-05 -0.37994E-05 1664 0.718E-03
507 T= 3576. E= -.17857347E+04 F= -.19341074E+04 E0= -.19341197E+04 EK= 0.14837E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193372050376E+04 0.38689E+00 -0.71765E-04 2806 0.572E-01 0.426E-02
DAV: 2 -0.193372066491E+04 -0.16115E-03 -0.20263E-03 2008 0.392E-02 0.459E-02
DAV: 3 -0.193372063279E+04 0.32122E-04 -0.16551E-04 1944 0.145E-02 0.217E-02
DAV: 4 -0.193372062975E+04 0.30376E-05 -0.27707E-05 1320 0.652E-03
508 T= 3567. E= -.17857346E+04 F= -.19337206E+04 E0= -.19337338E+04 EK= 0.14799E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193332906375E+04 0.39157E+00 -0.36347E-04 2460 0.573E-01 0.467E-02
DAV: 2 -0.193332922099E+04 -0.15725E-03 -0.21180E-03 1952 0.407E-02 0.450E-02
DAV: 3 -0.193332918941E+04 0.31587E-04 -0.16508E-04 1968 0.154E-02 0.236E-02
DAV: 4 -0.193332918623E+04 0.31791E-05 -0.36501E-05 1496 0.726E-03
509 T= 3557. E= -.17857346E+04 F= -.19333292E+04 E0= -.19333432E+04 EK= 0.14759E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193293327432E+04 0.39592E+00 -0.49337E-04 2814 0.571E-01 0.495E-02
DAV: 2 -0.193293343787E+04 -0.16354E-03 -0.22029E-03 1944 0.452E-02 0.441E-02
DAV: 3 -0.193293340884E+04 0.29022E-04 -0.12854E-04 1952 0.158E-02 0.246E-02
DAV: 4 -0.193293340451E+04 0.43302E-05 -0.31291E-05 1488 0.667E-03
510 T= 3548. E= -.17857346E+04 F= -.19329334E+04 E0= -.19329483E+04 EK= 0.14720E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193253350304E+04 0.39991E+00 -0.11736E-04 2000 0.569E-01 0.530E-02
DAV: 2 -0.193253364587E+04 -0.14283E-03 -0.22448E-03 1912 0.464E-02 0.450E-02
DAV: 3 -0.193253361534E+04 0.30529E-04 -0.13873E-04 2032 0.166E-02 0.249E-02
DAV: 4 -0.193253361249E+04 0.28487E-05 -0.38088E-05 1544 0.705E-03
511 T= 3538. E= -.17857345E+04 F= -.19325336E+04 E0= -.19325492E+04 EK= 0.14680E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193213005500E+04 0.40356E+00 -0.30240E-04 2694 0.567E-01 0.568E-02
DAV: 2 -0.193213019082E+04 -0.13582E-03 -0.23163E-03 1912 0.474E-02 0.428E-02
DAV: 3 -0.193213016333E+04 0.27485E-04 -0.14791E-04 2038 0.172E-02 0.241E-02
DAV: 4 -0.193213016022E+04 0.31126E-05 -0.40261E-05 1536 0.741E-03
512 T= 3528. E= -.17857345E+04 F= -.19321302E+04 E0= -.19321466E+04 EK= 0.14640E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193172331343E+04 0.40685E+00 -0.16669E-04 2158 0.567E-01 0.590E-02
DAV: 2 -0.193172343357E+04 -0.12014E-03 -0.23156E-03 1920 0.501E-02 0.417E-02
DAV: 3 -0.193172340879E+04 0.24777E-04 -0.13890E-04 2040 0.169E-02 0.231E-02
DAV: 4 -0.193172340555E+04 0.32405E-05 -0.46993E-05 1592 0.785E-03
513 T= 3518. E= -.17857344E+04 F= -.19317234E+04 E0= -.19317407E+04 EK= 0.14599E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193131362396E+04 0.40978E+00 -0.22583E-04 2478 0.566E-01 0.487E-02
DAV: 2 -0.193131373145E+04 -0.10748E-03 -0.17667E-03 1912 0.418E-02 0.352E-02
DAV: 3 -0.193131371326E+04 0.18187E-04 -0.84393E-05 2048 0.145E-02 0.196E-02
DAV: 4 -0.193131371140E+04 0.18580E-05 -0.30394E-05 1376 0.672E-03
514 T= 3509. E= -.17857344E+04 F= -.19313137E+04 E0= -.19313320E+04 EK= 0.14558E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193090140434E+04 0.41231E+00 -0.13629E-04 1718 0.565E-01 0.420E-02
DAV: 2 -0.193090150846E+04 -0.10412E-03 -0.15450E-03 1912 0.373E-02 0.336E-02
DAV: 3 -0.193090149065E+04 0.17811E-04 -0.67878E-05 1982 0.131E-02 0.186E-02
DAV: 4 -0.193090148842E+04 0.22302E-05 -0.35744E-05 1472 0.766E-03
515 T= 3499. E= -.17857343E+04 F= -.19309015E+04 E0= -.19309206E+04 EK= 0.14517E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193048704637E+04 0.41444E+00 -0.55620E-04 2780 0.563E-01 0.305E-02
DAV: 2 -0.193048717274E+04 -0.12637E-03 -0.15564E-03 1976 0.350E-02 0.315E-02
DAV: 3 -0.193048715843E+04 0.14310E-04 -0.62873E-05 1816 0.110E-02 0.190E-02
DAV: 4 -0.193048715667E+04 0.17578E-05 -0.15765E-05 1072 0.483E-03
516 T= 3489. E= -.17857343E+04 F= -.19304872E+04 E0= -.19305072E+04 EK= 0.14475E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193007105791E+04 0.41610E+00 -0.22464E-04 2158 0.562E-01 0.372E-02
DAV: 2 -0.193007118046E+04 -0.12254E-03 -0.16407E-03 1928 0.379E-02 0.382E-02
DAV: 3 -0.193007115843E+04 0.22031E-04 -0.83898E-05 2024 0.135E-02 0.218E-02
DAV: 4 -0.193007115549E+04 0.29413E-05 -0.28002E-05 1304 0.663E-03
517 T= 3479. E= -.17857343E+04 F= -.19300712E+04 E0= -.19300923E+04 EK= 0.14434E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192965380357E+04 0.41735E+00 -0.34182E-04 2726 0.560E-01 0.411E-02
DAV: 2 -0.192965397003E+04 -0.16646E-03 -0.21810E-03 1912 0.441E-02 0.451E-02
DAV: 3 -0.192965393941E+04 0.30622E-04 -0.95589E-05 2048 0.154E-02 0.271E-02
DAV: 4 -0.192965393399E+04 0.54137E-05 -0.43193E-05 1616 0.827E-03
518 T= 3469. E= -.17857342E+04 F= -.19296539E+04 E0= -.19296760E+04 EK= 0.14392E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192923587882E+04 0.41806E+00 -0.31634E-04 2382 0.558E-01 0.546E-02
DAV: 2 -0.192923602067E+04 -0.14184E-03 -0.24064E-03 1904 0.504E-02 0.445E-02
DAV: 3 -0.192923598952E+04 0.31144E-04 -0.13039E-04 2088 0.171E-02 0.250E-02
DAV: 4 -0.192923598535E+04 0.41766E-05 -0.48745E-05 1624 0.827E-03
519 T= 3458. E= -.17857342E+04 F= -.19292360E+04 E0= -.19292591E+04 EK= 0.14350E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192881771801E+04 0.41827E+00 -0.27707E-04 2304 0.557E-01 0.533E-02
DAV: 2 -0.192881781898E+04 -0.10097E-03 -0.19087E-03 1896 0.447E-02 0.351E-02
DAV: 3 -0.192881779893E+04 0.20053E-04 -0.10188E-04 2064 0.151E-02 0.191E-02
DAV: 4 -0.192881779701E+04 0.19163E-05 -0.38608E-05 1560 0.737E-03
520 T= 3448. E= -.17857341E+04 F= -.19288178E+04 E0= -.19288420E+04 EK= 0.14308E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192839981111E+04 0.41799E+00 -0.39222E-04 2414 0.556E-01 0.393E-02
DAV: 2 -0.192839991858E+04 -0.10747E-03 -0.15497E-03 1928 0.364E-02 0.279E-02
DAV: 3 -0.192839990615E+04 0.12430E-04 -0.58699E-05 1888 0.118E-02 0.156E-02
DAV: 4 -0.192839990457E+04 0.15753E-05 -0.30481E-05 1456 0.709E-03
521 T= 3438. E= -.17857341E+04 F= -.19283999E+04 E0= -.19284252E+04 EK= 0.14267E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192798274208E+04 0.41716E+00 -0.71966E-04 2814 0.555E-01 0.243E-02
DAV: 2 -0.192798285569E+04 -0.11361E-03 -0.13362E-03 2016 0.305E-02 0.223E-02
DAV: 3 -0.192798284838E+04 0.73088E-05 -0.37707E-05 1696 0.873E-03
522 T= 3428. E= -.17857340E+04 F= -.19279828E+04 E0= -.19280094E+04 EK= 0.14225E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192756707320E+04 0.41578E+00 -0.52443E-04 2620 0.553E-01 0.424E-02
DAV: 2 -0.192756719017E+04 -0.11697E-03 -0.17176E-03 1928 0.400E-02 0.363E-02
DAV: 3 -0.192756716979E+04 0.20387E-04 -0.89416E-05 2000 0.140E-02 0.194E-02
DAV: 4 -0.192756716683E+04 0.29581E-05 -0.30072E-05 1336 0.691E-03
523 T= 3418. E= -.17857340E+04 F= -.19275672E+04 E0= -.19275949E+04 EK= 0.14183E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192715328673E+04 0.41388E+00 -0.46410E-04 2678 0.551E-01 0.420E-02
DAV: 2 -0.192715344964E+04 -0.16291E-03 -0.21365E-03 1912 0.444E-02 0.440E-02
DAV: 3 -0.192715342046E+04 0.29180E-04 -0.97978E-05 2016 0.155E-02 0.248E-02
DAV: 4 -0.192715341596E+04 0.45025E-05 -0.41602E-05 1616 0.814E-03
524 T= 3408. E= -.17857340E+04 F= -.19271534E+04 E0= -.19271824E+04 EK= 0.14142E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192674203751E+04 0.41138E+00 -0.42387E-04 2446 0.550E-01 0.427E-02
DAV: 2 -0.192674218314E+04 -0.14563E-03 -0.20770E-03 1904 0.442E-02 0.415E-02
DAV: 3 -0.192674215606E+04 0.27083E-04 -0.96045E-05 2056 0.150E-02 0.243E-02
DAV: 4 -0.192674215044E+04 0.56173E-05 -0.44206E-05 1632 0.819E-03
525 T= 3398. E= -.17857339E+04 F= -.19267422E+04 E0= -.19267723E+04 EK= 0.14101E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192633378088E+04 0.40838E+00 -0.47640E-04 2630 0.548E-01 0.369E-02
DAV: 2 -0.192633391746E+04 -0.13658E-03 -0.17857E-03 1896 0.395E-02 0.390E-02
DAV: 3 -0.192633389459E+04 0.22867E-04 -0.73856E-05 1936 0.132E-02 0.237E-02
DAV: 4 -0.192633389029E+04 0.43038E-05 -0.37604E-05 1584 0.768E-03
526 T= 3389. E= -.17857338E+04 F= -.19263339E+04 E0= -.19263653E+04 EK= 0.14060E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192592906810E+04 0.40483E+00 -0.43899E-04 2376 0.548E-01 0.361E-02
DAV: 2 -0.192592920601E+04 -0.13792E-03 -0.18007E-03 1920 0.390E-02 0.379E-02
DAV: 3 -0.192592918402E+04 0.21999E-04 -0.71388E-05 1942 0.129E-02 0.229E-02
DAV: 4 -0.192592918040E+04 0.36132E-05 -0.33694E-05 1480 0.729E-03
527 T= 3379. E= -.17857338E+04 F= -.19259292E+04 E0= -.19259617E+04 EK= 0.14020E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192552841327E+04 0.40077E+00 -0.67915E-04 2710 0.545E-01 0.419E-02
DAV: 2 -0.192552855855E+04 -0.14528E-03 -0.20243E-03 1912 0.422E-02 0.354E-02
DAV: 3 -0.192552853848E+04 0.20069E-04 -0.88271E-05 2048 0.139E-02 0.207E-02
DAV: 4 -0.192552853449E+04 0.39907E-05 -0.38482E-05 1600 0.766E-03
528 T= 3369. E= -.17857338E+04 F= -.19255285E+04 E0= -.19255621E+04 EK= 0.13979E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192513234443E+04 0.39619E+00 -0.32709E-04 2206 0.543E-01 0.361E-02
DAV: 2 -0.192513246109E+04 -0.11667E-03 -0.16009E-03 1920 0.368E-02 0.326E-02
DAV: 3 -0.192513244432E+04 0.16779E-04 -0.67374E-05 1896 0.123E-02 0.192E-02
DAV: 4 -0.192513244170E+04 0.26161E-05 -0.27838E-05 1312 0.664E-03
529 T= 3360. E= -.17857338E+04 F= -.19251324E+04 E0= -.19251669E+04 EK= 0.13940E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192474126221E+04 0.39118E+00 -0.40484E-04 2600 0.541E-01 0.322E-02
DAV: 2 -0.192474138928E+04 -0.12707E-03 -0.16031E-03 1928 0.353E-02 0.319E-02
DAV: 3 -0.192474137416E+04 0.15123E-04 -0.61745E-05 1848 0.117E-02 0.194E-02
DAV: 4 -0.192474137117E+04 0.29909E-05 -0.26760E-05 1320 0.669E-03
530 T= 3350. E= -.17857337E+04 F= -.19247414E+04 E0= -.19247764E+04 EK= 0.13901E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192435563373E+04 0.38574E+00 -0.61991E-04 2728 0.539E-01 0.356E-02
DAV: 2 -0.192435576668E+04 -0.13295E-03 -0.17741E-03 1936 0.386E-02 0.322E-02
DAV: 3 -0.192435575101E+04 0.15669E-04 -0.73607E-05 1968 0.124E-02 0.193E-02
DAV: 4 -0.192435574741E+04 0.36005E-05 -0.30355E-05 1424 0.693E-03
531 T= 3341. E= -.17857337E+04 F= -.19243557E+04 E0= -.19243911E+04 EK= 0.13862E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192397582624E+04 0.37992E+00 -0.35103E-04 2552 0.539E-01 0.318E-02
DAV: 2 -0.192397595650E+04 -0.13027E-03 -0.16413E-03 1928 0.361E-02 0.338E-02
DAV: 3 -0.192397593971E+04 0.16793E-04 -0.66200E-05 1880 0.120E-02 0.210E-02
DAV: 4 -0.192397593623E+04 0.34816E-05 -0.27118E-05 1304 0.665E-03
532 T= 3332. E= -.17857336E+04 F= -.19239759E+04 E0= -.19240114E+04 EK= 0.13824E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192360216741E+04 0.37377E+00 -0.43597E-05 1854 0.538E-01 0.352E-02
DAV: 2 -0.192360228476E+04 -0.11735E-03 -0.16080E-03 1960 0.374E-02 0.378E-02
DAV: 3 -0.192360226211E+04 0.22644E-04 -0.70653E-05 1926 0.128E-02 0.229E-02
DAV: 4 -0.192360225837E+04 0.37456E-05 -0.32765E-05 1480 0.707E-03
533 T= 3323. E= -.17857336E+04 F= -.19236023E+04 E0= -.19236376E+04 EK= 0.13787E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192323491510E+04 0.36735E+00 0.10986E-04 1814 0.538E-01 0.449E-02
DAV: 2 -0.192323502043E+04 -0.10533E-03 -0.17417E-03 1928 0.417E-02 0.392E-02
DAV: 3 -0.192323499512E+04 0.25302E-04 -0.96577E-05 2056 0.145E-02 0.219E-02
DAV: 4 -0.192323499150E+04 0.36262E-05 -0.38854E-05 1552 0.750E-03
534 T= 3314. E= -.17857336E+04 F= -.19232350E+04 E0= -.19232700E+04 EK= 0.13750E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192287433137E+04 0.36066E+00 0.30394E-04 1272 0.536E-01 0.459E-02
DAV: 2 -0.192287441308E+04 -0.81717E-04 -0.15507E-03 1936 0.404E-02 0.372E-02
DAV: 3 -0.192287438954E+04 0.23541E-04 -0.92668E-05 2064 0.144E-02 0.205E-02
DAV: 4 -0.192287438637E+04 0.31689E-05 -0.39182E-05 1520 0.760E-03
535 T= 3305. E= -.17857336E+04 F= -.19228744E+04 E0= -.19229090E+04 EK= 0.13714E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192252061539E+04 0.35377E+00 0.27302E-04 1262 0.534E-01 0.366E-02
DAV: 2 -0.192252068582E+04 -0.70430E-04 -0.11920E-03 1920 0.343E-02 0.326E-02
DAV: 3 -0.192252066813E+04 0.17692E-04 -0.64018E-05 1902 0.122E-02 0.192E-02
DAV: 4 -0.192252066494E+04 0.31870E-05 -0.29354E-05 1352 0.679E-03
536 T= 3297. E= -.17857336E+04 F= -.19225207E+04 E0= -.19225551E+04 EK= 0.13679E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192217394396E+04 0.34672E+00 0.10537E-04 1692 0.532E-01 0.304E-02
DAV: 2 -0.192217403107E+04 -0.87113E-04 -0.11950E-03 1928 0.321E-02 0.320E-02
DAV: 3 -0.192217401483E+04 0.16241E-04 -0.51372E-05 1744 0.107E-02 0.196E-02
DAV: 4 -0.192217401184E+04 0.29849E-05 -0.24639E-05 1256 0.621E-03
537 T= 3288. E= -.17857336E+04 F= -.19221740E+04 E0= -.19222083E+04 EK= 0.13644E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192183451293E+04 0.33950E+00 0.59098E-05 1664 0.531E-01 0.345E-02
DAV: 2 -0.192183461420E+04 -0.10127E-03 -0.14261E-03 1920 0.356E-02 0.376E-02
DAV: 3 -0.192183459196E+04 0.22241E-04 -0.70527E-05 1936 0.126E-02 0.225E-02
DAV: 4 -0.192183458755E+04 0.44068E-05 -0.32095E-05 1440 0.711E-03
538 T= 3280. E= -.17857336E+04 F= -.19218346E+04 E0= -.19218687E+04 EK= 0.13610E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192150240398E+04 0.33219E+00 0.47010E-05 1760 0.531E-01 0.418E-02
DAV: 2 -0.192150251572E+04 -0.11173E-03 -0.17350E-03 1928 0.406E-02 0.407E-02
DAV: 3 -0.192150248887E+04 0.26842E-04 -0.94021E-05 2030 0.144E-02 0.235E-02
DAV: 4 -0.192150248485E+04 0.40254E-05 -0.36543E-05 1528 0.735E-03
539 T= 3272. E= -.17857335E+04 F= -.19215025E+04 E0= -.19215365E+04 EK= 0.13577E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192117764869E+04 0.32484E+00 -0.14247E-04 2476 0.530E-01 0.461E-02
DAV: 2 -0.192117777472E+04 -0.12603E-03 -0.19833E-03 1896 0.430E-02 0.381E-02
DAV: 3 -0.192117775196E+04 0.22762E-04 -0.10273E-04 2064 0.146E-02 0.215E-02
DAV: 4 -0.192117774924E+04 0.27190E-05 -0.35189E-05 1528 0.700E-03
540 T= 3264. E= -.17857335E+04 F= -.19211777E+04 E0= -.19212115E+04 EK= 0.13544E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192086029237E+04 0.31746E+00 -0.20389E-04 2396 0.529E-01 0.481E-02
DAV: 2 -0.192086039934E+04 -0.10698E-03 -0.18394E-03 1904 0.413E-02 0.321E-02
DAV: 3 -0.192086038304E+04 0.16299E-04 -0.95382E-05 2048 0.141E-02 0.173E-02
DAV: 4 -0.192086038103E+04 0.20173E-05 -0.36582E-05 1576 0.731E-03
541 T= 3257. E= -.17857335E+04 F= -.19208604E+04 E0= -.19208937E+04 EK= 0.13513E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192055026749E+04 0.31012E+00 0.42567E-05 1462 0.528E-01 0.364E-02
DAV: 2 -0.192055033079E+04 -0.63299E-04 -0.11004E-03 1920 0.316E-02 0.246E-02
DAV: 3 -0.192055032020E+04 0.10585E-04 -0.53142E-05 1792 0.107E-02 0.145E-02
DAV: 4 -0.192055031743E+04 0.27762E-05 -0.22287E-05 1168 0.615E-03
542 T= 3249. E= -.17857335E+04 F= -.19205503E+04 E0= -.19205825E+04 EK= 0.13482E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192024730945E+04 0.30301E+00 -0.68451E-05 1838 0.529E-01 0.281E-02
DAV: 2 -0.192024734723E+04 -0.37781E-04 -0.10095E-03 1968 0.290E-02 0.271E-02
DAV: 3 -0.192024732292E+04 0.24310E-04 -0.66629E-05 1904 0.123E-02 0.240E-02
DAV: 4 -0.192024732020E+04 0.27198E-05 -0.12041E-05 1104 0.422E-03
543 T= 3242. E= -.17857334E+04 F= -.19202473E+04 E0= -.19202757E+04 EK= 0.13451E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191995103163E+04 0.29629E+00 -0.66687E-06 1856 0.537E-01 0.631E-02
DAV: 2 -0.191995096549E+04 0.66149E-04 -0.95812E-04 2040 0.377E-02 0.335E-02
DAV: 3 -0.191995090658E+04 0.58906E-04 -0.13041E-04 2112 0.214E-02 0.261E-02
DAV: 4 -0.191995085254E+04 0.54040E-04 -0.54129E-05 1800 0.163E-02 0.200E-02
DAV: 5 -0.191995074755E+04 0.10499E-03 -0.57030E-05 1840 0.328E-02 0.137E-02
DAV: 6 -0.191995069113E+04 0.56421E-04 -0.21154E-04 2208 0.410E-02 0.115E-02
DAV: 7 -0.191995070957E+04 -0.18446E-04 -0.20064E-04 1768 0.142E-02 0.200E-02
DAV: 8 -0.191995070751E+04 0.20642E-05 -0.51068E-06 1088 0.358E-03
544 T= 3235. E= -.17857327E+04 F= -.19199507E+04 E0= -.19199696E+04 EK= 0.13422E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191966696649E+04 0.28374E+00 0.49743E-03 2686 0.636E-01 0.197E-01
DAV: 2 -0.191966369565E+04 0.32708E-02 -0.45279E-03 2616 0.142E-01 0.162E-01
DAV: 3 -0.191966284495E+04 0.85071E-03 -0.23131E-03 1944 0.729E-02 0.968E-02
DAV: 4 -0.191966224312E+04 0.60183E-03 -0.55075E-04 1936 0.568E-02 0.583E-02
DAV: 5 -0.191966182881E+04 0.41430E-03 -0.36708E-04 2288 0.615E-02 0.347E-02
DAV: 6 -0.191966170918E+04 0.11963E-03 -0.45291E-04 1968 0.472E-02 0.268E-02
DAV: 7 -0.191966171400E+04 -0.48213E-05 -0.24291E-04 1840 0.192E-02 0.359E-02
DAV: 8 -0.191966170956E+04 0.44453E-05 -0.64152E-06 1096 0.309E-03
545 T= 3228. E= -.17857327E+04 F= -.19196617E+04 E0= -.19196798E+04 EK= 0.13393E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191938014265E+04 0.28157E+00 0.26751E-05 2718 0.545E-01 0.952E-02
DAV: 2 -0.191937988460E+04 0.25805E-03 -0.15301E-03 1984 0.532E-02 0.828E-02
DAV: 3 -0.191937976757E+04 0.11703E-03 -0.41723E-04 1902 0.251E-02 0.538E-02
DAV: 4 -0.191937964264E+04 0.12492E-03 -0.67190E-05 1960 0.209E-02 0.359E-02
DAV: 5 -0.191937951492E+04 0.12772E-03 -0.13032E-04 2168 0.365E-02 0.176E-02
DAV: 6 -0.191937950408E+04 0.10843E-04 -0.20833E-04 1864 0.222E-02 0.175E-02
DAV: 7 -0.191937950610E+04 -0.20253E-05 -0.42643E-05 1720 0.780E-03
546 T= 3221. E= -.17857327E+04 F= -.19193795E+04 E0= -.19193984E+04 EK= 0.13365E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191910418639E+04 0.27532E+00 -0.13197E-05 1902 0.534E-01 0.962E-02
DAV: 2 -0.191910417483E+04 0.11561E-04 -0.19975E-03 1896 0.404E-02 0.545E-02
DAV: 3 -0.191910408814E+04 0.86693E-04 -0.11645E-04 2158 0.281E-02 0.364E-02
DAV: 4 -0.191910399984E+04 0.88302E-04 -0.11906E-04 2704 0.367E-02 0.201E-02
DAV: 5 -0.191910397814E+04 0.21696E-04 -0.12411E-04 1920 0.170E-02 0.219E-02
DAV: 6 -0.191910394511E+04 0.33031E-04 -0.21093E-05 1648 0.138E-02 0.876E-03
DAV: 7 -0.191910393722E+04 0.78917E-05 -0.37440E-05 1808 0.971E-03
547 T= 3214. E= -.17857328E+04 F= -.19191039E+04 E0= -.19191231E+04 EK= 0.13337E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191883478517E+04 0.26916E+00 0.28794E-04 1814 0.534E-01 0.615E-02
DAV: 2 -0.191883483623E+04 -0.51065E-04 -0.14762E-03 1904 0.361E-02 0.370E-02
DAV: 3 -0.191883479630E+04 0.39931E-04 -0.66787E-05 1974 0.184E-02 0.231E-02
DAV: 4 -0.191883476942E+04 0.26878E-04 -0.88506E-05 2192 0.209E-02 0.145E-02
DAV: 5 -0.191883475709E+04 0.12332E-04 -0.38910E-05 1760 0.119E-02 0.131E-02
DAV: 6 -0.191883473915E+04 0.17936E-04 -0.76398E-06 1328 0.127E-02 0.787E-03
DAV: 7 -0.191883473396E+04 0.51974E-05 -0.29945E-05 1576 0.760E-03
548 T= 3208. E= -.17857328E+04 F= -.19188347E+04 E0= -.19188556E+04 EK= 0.13310E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191857111055E+04 0.26363E+00 0.15517E-05 1566 0.538E-01 0.527E-02
DAV: 2 -0.191857095350E+04 0.15705E-03 -0.12931E-03 1968 0.463E-02 0.591E-02
DAV: 3 -0.191857087889E+04 0.74606E-04 -0.25160E-04 1904 0.203E-02 0.549E-02
DAV: 4 -0.191857081509E+04 0.63800E-04 -0.13436E-05 1296 0.792E-03 0.486E-02
DAV: 5 -0.191857067612E+04 0.13897E-03 -0.11372E-03 2512 0.992E-02 0.952E-02
DAV: 6 -0.191857065020E+04 0.25924E-04 -0.81545E-04 2424 0.735E-02 0.367E-02
DAV: 7 -0.191857053463E+04 0.11557E-03 -0.69113E-05 1848 0.256E-02 0.252E-02
DAV: 8 -0.191857051188E+04 0.22758E-04 -0.64071E-05 1888 0.137E-02 0.157E-02
DAV: 9 -0.191857051033E+04 0.15484E-05 -0.44116E-05 1752 0.898E-03
549 T= 3201. E= -.17857318E+04 F= -.19185705E+04 E0= -.19185970E+04 EK= 0.13284E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191834705803E+04 0.22345E+00 -0.14898E-01 2206 0.665E-01 0.178E+00
DAV: 2 -0.191835959012E+04 -0.12532E-01 -0.23374E+00 2824 0.108E+00 0.140E+00
DAV: 3 -0.191832175209E+04 0.37838E-01 -0.12805E-01 2256 0.448E-01 0.686E-01
DAV: 4 -0.191831587073E+04 0.58814E-02 -0.53509E-02 1856 0.266E-01 0.245E-01
DAV: 5 -0.191831541266E+04 0.45807E-03 -0.83105E-03 1888 0.958E-02 0.129E-01
DAV: 6 -0.191831516098E+04 0.25168E-03 -0.83922E-04 1976 0.324E-02 0.104E-01
DAV: 7 -0.191831502652E+04 0.13446E-03 -0.20089E-04 2040 0.187E-02 0.837E-02
DAV: 8 -0.191831484200E+04 0.18453E-03 -0.17888E-04 2288 0.279E-02 0.582E-02
DAV: 9 -0.191831467400E+04 0.16800E-03 -0.36512E-04 2272 0.324E-02 0.416E-02
DAV: 10 -0.191831462909E+04 0.44903E-04 -0.16096E-04 1888 0.165E-02 0.427E-02
DAV: 11 -0.191831458055E+04 0.48547E-04 -0.14576E-05 1360 0.964E-03 0.424E-02
DAV: 12 -0.191831450199E+04 0.78555E-04 -0.27534E-05 1632 0.144E-02 0.466E-02
DAV: 13 -0.191831437558E+04 0.12641E-03 -0.64827E-05 1976 0.209E-02 0.542E-02
DAV: 14 -0.191831427208E+04 0.10350E-03 -0.92613E-05 2096 0.177E-02 0.569E-02
DAV: 15 -0.191831417964E+04 0.92437E-04 -0.29860E-05 1544 0.136E-02 0.613E-02
DAV: 16 -0.191831412068E+04 0.58966E-04 -0.33388E-05 1680 0.936E-03 0.618E-02
DAV: 17 -0.191831409526E+04 0.25417E-04 -0.51400E-06 1024 0.388E-03 0.629E-02
DAV: 18 -0.191831408830E+04 0.69632E-05 -0.17970E-06 944 0.163E-03
550 T= 3195. E= -.17857327E+04 F= -.19183141E+04 E0= -.19183378E+04 EK= 0.13258E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191806898046E+04 0.24511E+00 0.49544E-02 2318 0.718E-01 0.238E-01
DAV: 2 -0.191806593584E+04 0.30446E-02 -0.72848E-03 2664 0.157E-01 0.157E-01
DAV: 3 -0.191806527201E+04 0.66383E-03 -0.28201E-03 1896 0.778E-02 0.104E-01
DAV: 4 -0.191806476232E+04 0.50969E-03 -0.77998E-04 1912 0.534E-02 0.666E-02
DAV: 5 -0.191806411230E+04 0.65002E-03 -0.26486E-04 2536 0.733E-02 0.436E-02
DAV: 6 -0.191806350902E+04 0.60328E-03 -0.11348E-03 2472 0.925E-02 0.433E-02
DAV: 7 -0.191806304136E+04 0.46766E-03 -0.16527E-03 2304 0.827E-02 0.590E-02
DAV: 8 -0.191806317781E+04 -0.13644E-03 -0.86913E-04 1792 0.300E-02 0.645E-02
DAV: 9 -0.191806314687E+04 0.30940E-04 -0.15175E-05 1384 0.512E-03 0.618E-02
DAV: 10 -0.191806363552E+04 -0.48865E-03 -0.11133E-03 2784 0.983E-02 0.778E-02
DAV: 11 -0.191806605644E+04 -0.24209E-02 0.15923E-03 2928 0.262E-01 0.185E-01
DAV: 12 -0.191806492293E+04 0.11335E-02 -0.36356E-03 1944 0.117E-01 0.152E-01
DAV: 13 -0.191806498173E+04 -0.58796E-04 -0.79702E-04 2016 0.260E-02 0.130E-01
DAV: 14 -0.191806503663E+04 -0.54907E-04 -0.11067E-05 1304 0.527E-03 0.133E-01
DAV: 15 -0.191806455360E+04 0.48304E-03 -0.10760E-04 2336 0.480E-02 0.125E-01
DAV: 16 -0.191806377737E+04 0.77623E-03 -0.14668E-03 2896 0.109E-01 0.913E-02
DAV: 17 -0.191806376035E+04 0.17018E-04 -0.16309E-03 1840 0.452E-02 0.978E-02
DAV: 18 -0.191806372017E+04 0.40185E-04 -0.11485E-04 1968 0.126E-02 0.875E-02
DAV: 19 -0.191806366050E+04 0.59669E-04 -0.11530E-05 1344 0.948E-03 0.852E-02
DAV: 20 -0.191806353344E+04 0.12706E-03 -0.48744E-05 1848 0.184E-02 0.802E-02
DAV: 21 -0.191806298619E+04 0.54725E-03 -0.48342E-04 2664 0.659E-02 0.820E-02
DAV: 22 -0.191806293227E+04 0.53922E-04 -0.46424E-04 1800 0.192E-02 0.874E-02
DAV: 23 -0.191806256084E+04 0.37143E-03 -0.19218E-04 2176 0.419E-02 0.992E-02
DAV: 24 -0.191806275326E+04 -0.19243E-03 -0.77625E-05 1976 0.226E-02 0.973E-02
DAV: 25 -0.191806283413E+04 -0.80863E-04 -0.38681E-05 1712 0.113E-02 0.936E-02
DAV: 26 -0.191806294922E+04 -0.11509E-03 -0.24783E-05 1480 0.152E-02 0.901E-02
DAV: 27 -0.191806311429E+04 -0.16507E-03 -0.97870E-05 2064 0.243E-02 0.841E-02
DAV: 28 -0.191806334026E+04 -0.22597E-03 -0.13967E-04 2248 0.356E-02 0.806E-02
DAV: 29 -0.191806361294E+04 -0.27267E-03 -0.40020E-04 2496 0.547E-02 0.754E-02
DAV: 30 -0.191806385476E+04 -0.24182E-03 -0.62301E-04 2168 0.431E-02 0.628E-02
DAV: 31 -0.191806405561E+04 -0.20085E-03 -0.14778E-04 2168 0.343E-02 0.622E-02
DAV: 32 -0.191806433687E+04 -0.28126E-03 -0.23064E-04 2352 0.429E-02 0.694E-02
DAV: 33 -0.191806450989E+04 -0.17301E-03 -0.30273E-04 1904 0.249E-02 0.736E-02
DAV: 34 -0.191806484485E+04 -0.33497E-03 -0.34747E-05 2048 0.346E-02 0.879E-02
DAV: 35 -0.191806487565E+04 -0.30803E-04 -0.11780E-04 1776 0.877E-03 0.942E-02
DAV: 36 -0.191806488340E+04 -0.77481E-05 -0.17091E-06 1024 0.153E-03
551 T= 3189. E= -.17857347E+04 F= -.19180649E+04 E0= -.19180797E+04 EK= 0.13233E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191783348416E+04 0.23139E+00 0.64736E-03 2158 0.681E-01 0.424E-01
DAV: 2 -0.191782395596E+04 0.95282E-02 -0.19598E-02 2752 0.273E-01 0.265E-01
DAV: 3 -0.191782181031E+04 0.21456E-02 -0.81394E-03 1904 0.133E-01 0.180E-01
DAV: 4 -0.191782050185E+04 0.13085E-02 -0.23960E-03 1896 0.844E-02 0.104E-01
DAV: 5 -0.191781904256E+04 0.14593E-02 -0.45002E-04 2576 0.101E-01 0.592E-02
DAV: 6 -0.191781793117E+04 0.11114E-02 -0.16721E-03 2424 0.121E-01 0.536E-02
DAV: 7 -0.191781677672E+04 0.11545E-02 -0.29067E-03 2448 0.136E-01 0.830E-02
DAV: 8 -0.191781504743E+04 0.17293E-02 -0.35497E-03 2480 0.165E-01 0.394E-02
DAV: 9 -0.191781574979E+04 -0.70236E-03 -0.48884E-03 1904 0.970E-02 0.183E-01
DAV: 10 -0.191781531228E+04 0.43751E-03 -0.77174E-04 1936 0.497E-02 0.105E-01
DAV: 11 -0.191781536164E+04 -0.49360E-04 -0.18839E-04 1736 0.131E-02 0.890E-02
DAV: 12 -0.191781569677E+04 -0.33514E-03 -0.60610E-04 2544 0.692E-02 0.954E-02
DAV: 13 -0.191781568618E+04 0.10593E-04 -0.12843E-03 2632 0.108E-01 0.161E-01
DAV: 14 -0.191781576674E+04 -0.80561E-04 -0.34497E-04 1832 0.162E-02 0.179E-01
DAV: 15 -0.191781537466E+04 0.39208E-03 -0.13369E-04 1936 0.271E-02 0.117E-01
DAV: 16 -0.191781582733E+04 -0.45267E-03 -0.12977E-04 1704 0.307E-02 0.185E-01
DAV: 17 -0.191781526251E+04 0.56481E-03 -0.25711E-04 1760 0.449E-02 0.815E-02
DAV: 18 -0.191781531432E+04 -0.51809E-04 -0.15003E-04 1768 0.957E-03 0.670E-02
DAV: 19 -0.191781531717E+04 -0.28499E-05 -0.34073E-06 1032 0.192E-03
552 T= 3183. E= -.17857310E+04 F= -.19178153E+04 E0= -.19178395E+04 EK= 0.13208E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191825131128E+04 -0.43600E+00 -0.59559E-01 2344 0.128E+00 0.102E+01
DAV: 2 -0.191989373347E+04 -0.16424E+01 -0.39778E+01 2952 0.597E+00 0.901E+00
DAV: 3 -0.191813532794E+04 0.17584E+01 -0.45160E+00 2392 0.275E+00 0.510E+00
DAV: 4 -0.191769957948E+04 0.43575E+00 -0.28008E+00 1880 0.212E+00 0.185E+00
DAV: 5 -0.191767902730E+04 0.20552E-01 -0.43810E-01 1896 0.741E-01 0.127E+00
DAV: 6 -0.191764455004E+04 0.34477E-01 -0.36368E-02 2264 0.297E-01 0.101E+00
DAV: 7 -0.191762552652E+04 0.19024E-01 -0.12294E-02 2144 0.216E-01 0.841E-01
DAV: 8 -0.191759870886E+04 0.26818E-01 -0.10560E-02 2888 0.357E-01 0.591E-01
DAV: 9 -0.191758748813E+04 0.11221E-01 -0.22964E-02 1928 0.276E-01 0.382E-01
DAV: 10 -0.191758773615E+04 -0.24803E-03 -0.10841E-02 1832 0.110E-01 0.334E-01
DAV: 11 -0.191758771864E+04 0.17516E-04 -0.19263E-04 2184 0.129E-02 0.328E-01
DAV: 12 -0.191758763378E+04 0.84861E-04 -0.21180E-05 1472 0.545E-03 0.329E-01
DAV: 13 -0.191758676391E+04 0.86987E-03 -0.32454E-04 1920 0.291E-02 0.331E-01
DAV: 14 -0.191758112171E+04 0.56422E-02 -0.99130E-03 2200 0.246E-01 0.423E-01
DAV: 15 -0.191758085442E+04 0.26729E-03 -0.45502E-03 1856 0.673E-02 0.308E-01
DAV: 16 -0.191758023627E+04 0.61815E-03 -0.47292E-04 2192 0.384E-02 0.292E-01
DAV: 17 -0.191758013764E+04 0.98626E-04 -0.51512E-04 1832 0.224E-02 0.239E-01
DAV: 18 -0.191757896444E+04 0.11732E-02 -0.51660E-04 2576 0.727E-02 0.197E-01
DAV: 19 -0.191757866065E+04 0.30378E-03 -0.92149E-04 1840 0.328E-02 0.132E-01
DAV: 20 -0.191757854721E+04 0.11344E-03 -0.13140E-04 2008 0.153E-02 0.119E-01
DAV: 21 -0.191757848007E+04 0.67141E-04 -0.10424E-05 1272 0.689E-03 0.118E-01
DAV: 22 -0.191757822384E+04 0.25623E-03 -0.10013E-04 2176 0.232E-02 0.946E-02
DAV: 23 -0.191757797790E+04 0.24594E-03 -0.13189E-04 2192 0.256E-02 0.852E-02
DAV: 24 -0.191757775459E+04 0.22331E-03 -0.10211E-04 2144 0.253E-02 0.826E-02
DAV: 25 -0.191757765652E+04 0.98068E-04 -0.11494E-04 1888 0.153E-02 0.771E-02
DAV: 26 -0.191757762230E+04 0.34223E-04 -0.84749E-06 1120 0.446E-03 0.776E-02
DAV: 27 -0.191757752711E+04 0.95189E-04 -0.74384E-06 1328 0.101E-02 0.794E-02
DAV: 28 -0.191757732024E+04 0.20687E-03 -0.70395E-05 1968 0.218E-02 0.837E-02
DAV: 29 -0.191757727418E+04 0.46062E-04 -0.62973E-05 1760 0.812E-03 0.806E-02
DAV: 30 -0.191757725560E+04 0.18577E-04 -0.34268E-06 1032 0.272E-03 0.808E-02
DAV: 31 -0.191757723290E+04 0.22699E-04 -0.10280E-06 984 0.258E-03 0.814E-02
DAV: 32 -0.191757714153E+04 0.91373E-04 -0.64441E-06 1320 0.925E-03 0.844E-02
DAV: 33 -0.191757710938E+04 0.32149E-04 -0.16872E-05 1304 0.436E-03 0.832E-02
DAV: 34 -0.191757708677E+04 0.22610E-04 -0.15193E-06 952 0.256E-03 0.839E-02
DAV: 35 -0.191757708407E+04 0.26982E-05 -0.11917E-06 904 0.110E-03
553 T= 3178. E= -.17857336E+04 F= -.19175771E+04 E0= -.19175970E+04 EK= 0.13184E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191738244235E+04 0.19464E+00 0.11430E-01 2438 0.108E+00 0.730E-01
DAV: 2 -0.191735508613E+04 0.27356E-01 -0.59872E-02 2784 0.475E-01 0.462E-01
DAV: 3 -0.191735023128E+04 0.48549E-02 -0.25510E-02 1880 0.228E-01 0.284E-01
DAV: 4 -0.191734709739E+04 0.31339E-02 -0.71138E-03 1904 0.141E-01 0.173E-01
DAV: 5 -0.191734408522E+04 0.30122E-02 -0.14477E-03 2504 0.145E-01 0.972E-02
DAV: 6 -0.191734190789E+04 0.21773E-02 -0.32966E-03 2504 0.166E-01 0.712E-02
DAV: 7 -0.191733989363E+04 0.20143E-02 -0.48471E-03 2352 0.169E-01 0.108E-01
DAV: 8 -0.191733833535E+04 0.15583E-02 -0.49159E-03 2312 0.152E-01 0.879E-02
DAV: 9 -0.191733932838E+04 -0.99303E-03 -0.31696E-03 1928 0.902E-02 0.121E-01
DAV: 10 -0.191733930142E+04 0.26963E-04 -0.42414E-04 1816 0.165E-02 0.112E-01
DAV: 11 -0.191733849232E+04 0.80910E-03 -0.82960E-04 2672 0.909E-02 0.110E-01
DAV: 12 -0.191733877614E+04 -0.28382E-03 -0.57906E-04 2104 0.405E-02 0.135E-01
DAV: 13 -0.191733864812E+04 0.12802E-03 -0.54429E-04 2472 0.763E-02 0.170E-01
DAV: 14 -0.191733874671E+04 -0.98590E-04 -0.43056E-04 2032 0.435E-02 0.184E-01
DAV: 15 -0.191733873597E+04 0.10739E-04 -0.92200E-05 1904 0.884E-03 0.175E-01
DAV: 16 -0.191733908423E+04 -0.34826E-03 -0.10978E-04 2056 0.225E-02 0.213E-01
DAV: 17 -0.191733908297E+04 0.12662E-05 -0.35394E-05 1680 0.519E-03
554 T= 3172. E= -.17857315E+04 F= -.19173391E+04 E0= -.19173625E+04 EK= 0.13161E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191727269927E+04 0.66385E-01 -0.35815E-01 2824 0.898E-01 0.527E+00
DAV: 2 -0.191767161452E+04 -0.39892E+00 -0.18954E+01 2848 0.320E+00 0.462E+00
DAV: 3 -0.191723215959E+04 0.43945E+00 -0.12071E+00 2536 0.155E+00 0.238E+00
DAV: 4 -0.191713558183E+04 0.96578E-01 -0.60254E-01 1888 0.991E-01 0.835E-01
DAV: 5 -0.191713252459E+04 0.30572E-02 -0.10529E-01 1888 0.358E-01 0.566E-01
DAV: 6 -0.191712734218E+04 0.51824E-02 -0.54870E-03 2144 0.103E-01 0.472E-01
DAV: 7 -0.191712442355E+04 0.29186E-02 -0.10113E-03 1984 0.665E-02 0.421E-01
DAV: 8 -0.191711612966E+04 0.82939E-02 -0.41201E-03 2808 0.212E-01 0.295E-01
DAV: 9 -0.191711341140E+04 0.27183E-02 -0.83472E-03 2016 0.141E-01 0.210E-01
DAV: 10 -0.191711350899E+04 -0.97590E-04 -0.29668E-03 1808 0.567E-02 0.159E-01
DAV: 11 -0.191711327289E+04 0.23611E-03 -0.10052E-04 2120 0.156E-02 0.147E-01
DAV: 12 -0.191711260024E+04 0.67265E-03 -0.18378E-04 2368 0.404E-02 0.137E-01
DAV: 13 -0.191711167190E+04 0.92834E-03 -0.59565E-04 2480 0.647E-02 0.135E-01
DAV: 14 -0.191711156797E+04 0.10392E-03 -0.52779E-04 1816 0.223E-02 0.122E-01
DAV: 15 -0.191711185608E+04 -0.28810E-03 -0.80601E-05 1936 0.223E-02 0.121E-01
DAV: 16 -0.191711186630E+04 -0.10224E-04 -0.34672E-05 1544 0.517E-03 0.123E-01
DAV: 17 -0.191711196766E+04 -0.10136E-03 -0.75379E-06 1272 0.777E-03 0.124E-01
DAV: 18 -0.191711061602E+04 0.13516E-02 -0.80477E-04 2440 0.982E-02 0.157E-01
DAV: 19 -0.191711019939E+04 0.41663E-03 -0.78447E-04 1896 0.354E-02 0.161E-01
DAV: 20 -0.191711018298E+04 0.16407E-04 -0.18555E-04 1784 0.137E-02 0.147E-01
DAV: 21 -0.191711035729E+04 -0.17430E-03 -0.10164E-05 1320 0.127E-02 0.134E-01
DAV: 22 -0.191711046891E+04 -0.11162E-03 -0.25383E-05 1528 0.824E-03 0.129E-01
DAV: 23 -0.191711056616E+04 -0.97256E-04 -0.11355E-05 1272 0.755E-03 0.125E-01
DAV: 24 -0.191711064758E+04 -0.81417E-04 -0.12494E-05 1352 0.656E-03 0.125E-01
DAV: 25 -0.191711079610E+04 -0.14852E-03 -0.72264E-06 1328 0.115E-02 0.117E-01
DAV: 26 -0.191711099451E+04 -0.19841E-03 -0.44539E-05 1784 0.154E-02 0.112E-01
DAV: 27 -0.191711144903E+04 -0.45452E-03 -0.13207E-04 2360 0.356E-02 0.105E-01
DAV: 28 -0.191711133228E+04 0.11675E-03 -0.90591E-05 1824 0.136E-02 0.110E-01
DAV: 29 -0.191711130014E+04 0.32142E-04 -0.12632E-05 1264 0.466E-03 0.109E-01
DAV: 30 -0.191711144742E+04 -0.14728E-03 -0.11950E-05 1328 0.114E-02 0.106E-01
DAV: 31 -0.191711176088E+04 -0.31346E-03 -0.83651E-05 2096 0.226E-02 0.110E-01
DAV: 32 -0.191711185387E+04 -0.92991E-04 -0.46178E-05 1816 0.726E-03 0.116E-01
DAV: 33 -0.191711187642E+04 -0.22555E-04 -0.76538E-06 1024 0.334E-03 0.115E-01
DAV: 34 -0.191711190968E+04 -0.33258E-04 -0.20026E-05 1328 0.506E-03 0.124E-01
DAV: 35 -0.191711146218E+04 0.44750E-03 -0.10677E-04 2144 0.345E-02 0.124E-01
DAV: 36 -0.191711108749E+04 0.37469E-03 -0.27997E-04 2280 0.325E-02 0.127E-01
DAV: 37 -0.191711103780E+04 0.49683E-04 -0.13084E-04 1792 0.116E-02 0.131E-01
DAV: 38 -0.191711096560E+04 0.72203E-04 -0.27393E-06 1216 0.563E-03 0.132E-01
DAV: 39 -0.191711115655E+04 -0.19095E-03 -0.12604E-05 1296 0.148E-02 0.133E-01
DAV: 40 -0.191711195828E+04 -0.80173E-03 -0.46422E-04 2552 0.641E-02 0.140E-01
DAV: 41 -0.191711169023E+04 0.26804E-03 -0.15950E-04 1920 0.266E-02 0.131E-01
DAV: 42 -0.191711149620E+04 0.19403E-03 -0.55364E-05 1768 0.173E-02 0.131E-01
DAV: 43 -0.191711158488E+04 -0.88678E-04 -0.34670E-05 1712 0.778E-03 0.139E-01
DAV: 44 -0.191711157232E+04 0.12557E-04 -0.27191E-06 904 0.284E-03 0.140E-01
DAV: 45 -0.191711160135E+04 -0.29024E-04 -0.24142E-05 1280 0.510E-03 0.153E-01
DAV: 46 -0.191711156425E+04 0.37096E-04 -0.14726E-06 968 0.342E-03 0.153E-01
DAV: 47 -0.191711420283E+04 -0.26386E-02 -0.19937E-03 2032 0.125E-01 0.371E-01
DAV: 48 -0.191711442136E+04 -0.21853E-03 -0.91569E-04 1848 0.242E-02 0.344E-01
DAV: 49 -0.191711441815E+04 0.32113E-05 -0.21249E-05 1520 0.472E-03
555 T= 3166. E= -.17857379E+04 F= -.19171144E+04 E0= -.19171278E+04 EK= 0.13138E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191695877376E+04 0.15565E+00 0.21956E-02 2440 0.118E+00 0.941E-01
DAV: 2 -0.191691275819E+04 0.46016E-01 -0.75728E-02 2856 0.575E-01 0.625E-01
DAV: 3 -0.191690087213E+04 0.11886E-01 -0.33394E-02 1912 0.290E-01 0.405E-01
DAV: 4 -0.191689324499E+04 0.76271E-02 -0.12775E-02 2016 0.222E-01 0.212E-01
DAV: 5 -0.191688758570E+04 0.56593E-02 -0.32477E-03 2424 0.220E-01 0.122E-01
DAV: 6 -0.191688415609E+04 0.34296E-02 -0.60003E-03 2296 0.208E-01 0.101E-01
DAV: 7 -0.191688190179E+04 0.22543E-02 -0.69024E-03 2256 0.166E-01 0.130E-01
DAV: 8 -0.191688004231E+04 0.18595E-02 -0.29963E-03 2872 0.170E-01 0.143E-01
DAV: 9 -0.191688211766E+04 -0.20754E-02 -0.51799E-03 2328 0.167E-01 0.136E-01
DAV: 10 -0.191688122756E+04 0.89011E-03 -0.86938E-04 1864 0.527E-02 0.138E-01
DAV: 11 -0.191687979793E+04 0.14296E-02 -0.11196E-03 2528 0.979E-02 0.431E-02
DAV: 12 -0.191687996732E+04 -0.16939E-03 -0.12642E-03 2080 0.575E-02 0.915E-02
DAV: 13 -0.191687983151E+04 0.13581E-03 -0.50497E-04 1912 0.310E-02 0.348E-02
DAV: 14 -0.191688013630E+04 -0.30479E-03 -0.17171E-04 1792 0.359E-02 0.125E-01
DAV: 15 -0.191687982802E+04 0.30828E-03 -0.11888E-04 1424 0.287E-02 0.395E-02
DAV: 16 -0.191687983565E+04 -0.76377E-05 -0.11887E-04 1864 0.194E-02 0.190E-02
DAV: 17 -0.191687983629E+04 -0.63927E-06 -0.45589E-05 1728 0.732E-03
556 T= 3161. E= -.17857301E+04 F= -.19168798E+04 E0= -.19169022E+04 EK= 0.13115E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191751794959E+04 -0.63811E+00 -0.70003E-01 2392 0.140E+00 0.102E+01
DAV: 2 -0.191906500678E+04 -0.15471E+01 -0.40154E+01 2960 0.581E+00 0.926E+00
DAV: 3 -0.191721381130E+04 0.18512E+01 -0.44555E+00 2368 0.278E+00 0.528E+00
DAV: 4 -0.191676944798E+04 0.44436E+00 -0.30061E+00 1848 0.217E+00 0.190E+00
DAV: 5 -0.191675582132E+04 0.13627E-01 -0.42943E-01 1888 0.727E-01 0.130E+00
DAV: 6 -0.191671335521E+04 0.42466E-01 -0.39958E-02 2336 0.365E-01 0.994E-01
DAV: 7 -0.191668948327E+04 0.23872E-01 -0.26375E-02 2240 0.318E-01 0.717E-01
DAV: 8 -0.191667479517E+04 0.14688E-01 -0.16260E-02 2296 0.307E-01 0.466E-01
DAV: 9 -0.191667144771E+04 0.33475E-02 -0.13233E-02 1904 0.166E-01 0.361E-01
DAV: 10 -0.191667142478E+04 0.22928E-04 -0.92910E-04 1832 0.312E-02 0.363E-01
DAV: 11 -0.191667108765E+04 0.33713E-03 -0.14364E-04 1840 0.149E-02 0.357E-01
DAV: 12 -0.191667023398E+04 0.85368E-03 -0.23313E-04 1912 0.282E-02 0.326E-01
DAV: 13 -0.191666418180E+04 0.60522E-02 -0.13885E-02 2104 0.290E-01 0.542E-01
DAV: 14 -0.191666411952E+04 0.62276E-04 -0.60318E-03 1856 0.833E-02 0.335E-01
DAV: 15 -0.191666378152E+04 0.33800E-03 -0.46300E-04 2208 0.224E-02 0.296E-01
DAV: 16 -0.191666319114E+04 0.59038E-03 -0.46340E-04 1856 0.312E-02 0.217E-01
DAV: 17 -0.191666208027E+04 0.11109E-02 -0.71384E-04 2728 0.637E-02 0.156E-01
DAV: 18 -0.191666156239E+04 0.51788E-03 -0.19307E-03 1880 0.597E-02 0.163E-01
DAV: 19 -0.191666119385E+04 0.36854E-03 -0.26209E-04 1896 0.244E-02 0.158E-01
DAV: 20 -0.191666100920E+04 0.18466E-03 -0.45899E-05 1768 0.107E-02 0.152E-01
DAV: 21 -0.191666047840E+04 0.53080E-03 -0.67141E-05 1968 0.271E-02 0.164E-01
DAV: 22 -0.191666062446E+04 -0.14606E-03 -0.32196E-05 1744 0.101E-02 0.157E-01
DAV: 23 -0.191666059202E+04 0.32438E-04 -0.70498E-05 1744 0.822E-03 0.163E-01
DAV: 24 -0.191666055914E+04 0.32876E-04 -0.68621E-06 1104 0.371E-03 0.166E-01
DAV: 25 -0.191666068792E+04 -0.12877E-03 -0.14637E-05 1352 0.998E-03 0.164E-01
DAV: 26 -0.191666104799E+04 -0.36008E-03 -0.98577E-05 2000 0.219E-02 0.163E-01
DAV: 27 -0.191666100386E+04 0.44130E-04 -0.59844E-05 1752 0.801E-03 0.171E-01
DAV: 28 -0.191666100559E+04 -0.17296E-05 -0.28553E-06 944 0.201E-03
557 T= 3155. E= -.17857342E+04 F= -.19166610E+04 E0= -.19166805E+04 EK= 0.13093E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191648701722E+04 0.17399E+00 0.12827E-01 1408 0.106E+00 0.690E-01
DAV: 2 -0.191645940256E+04 0.27615E-01 -0.52457E-02 2784 0.448E-01 0.459E-01
DAV: 3 -0.191645304827E+04 0.63543E-02 -0.20444E-02 1896 0.220E-01 0.291E-01
DAV: 4 -0.191644859187E+04 0.44564E-02 -0.74236E-03 2016 0.173E-01 0.170E-01
DAV: 5 -0.191644445755E+04 0.41343E-02 -0.25504E-03 2520 0.190E-01 0.117E-01
DAV: 6 -0.191643969988E+04 0.47577E-02 -0.67801E-03 2520 0.225E-01 0.156E-01
DAV: 7 -0.191643810865E+04 0.15912E-02 -0.91197E-03 1912 0.142E-01 0.122E-01
DAV: 8 -0.191643790879E+04 0.19986E-03 -0.16026E-03 2136 0.775E-02 0.164E-01
DAV: 9 -0.191643767581E+04 0.23298E-03 -0.11341E-03 2360 0.502E-02 0.908E-02
DAV: 10 -0.191644015265E+04 -0.24768E-02 -0.16329E-02 2480 0.144E-01 0.442E-01
DAV: 11 -0.191644003997E+04 0.11268E-03 -0.52976E-02 2816 0.264E-01 0.166E-01
DAV: 12 -0.191644051057E+04 -0.47061E-03 -0.32864E-03 1832 0.398E-02 0.188E-01
DAV: 13 -0.191644042535E+04 0.85223E-04 -0.89874E-05 1992 0.892E-03 0.190E-01
DAV: 14 -0.191644045591E+04 -0.30564E-04 -0.54863E-06 1144 0.384E-03 0.188E-01
DAV: 15 -0.191644016942E+04 0.28650E-03 -0.16995E-05 1344 0.119E-02 0.190E-01
DAV: 16 -0.191643922955E+04 0.93987E-03 -0.24040E-04 2488 0.381E-02 0.193E-01
DAV: 17 -0.191643875218E+04 0.47736E-03 -0.20551E-04 2096 0.226E-02 0.182E-01
DAV: 18 -0.191643878700E+04 -0.34814E-04 -0.67755E-05 1728 0.807E-03 0.178E-01
DAV: 19 -0.191643877429E+04 0.12704E-04 -0.91300E-07 944 0.108E-03 0.178E-01
DAV: 20 -0.191643872914E+04 0.45153E-04 -0.40479E-07 944 0.208E-03 0.178E-01
DAV: 21 -0.191643819588E+04 0.53326E-03 -0.71313E-05 1824 0.254E-02 0.161E-01
DAV: 22 -0.191643782564E+04 0.37024E-03 -0.14942E-04 2208 0.230E-02 0.133E-01
DAV: 23 -0.191643777832E+04 0.47322E-04 -0.84047E-05 1784 0.981E-03 0.121E-01
DAV: 24 -0.191643777309E+04 0.52269E-05 -0.27066E-06 944 0.200E-03
558 T= 3150. E= -.17857302E+04 F= -.19164378E+04 E0= -.19164601E+04 EK= 0.13071E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191636243044E+04 0.75348E-01 -0.33574E-01 1344 0.849E-01 0.474E+00
DAV: 2 -0.191672320158E+04 -0.36077E+00 -0.16921E+01 2856 0.284E+00 0.434E+00
DAV: 3 -0.191633202166E+04 0.39118E+00 -0.97426E-01 2536 0.139E+00 0.224E+00
DAV: 4 -0.191624790076E+04 0.84121E-01 -0.52200E-01 1864 0.894E-01 0.775E-01
DAV: 5 -0.191624547760E+04 0.24232E-02 -0.82292E-02 1904 0.315E-01 0.529E-01
DAV: 6 -0.191624005058E+04 0.54270E-02 -0.51910E-03 2184 0.113E-01 0.446E-01
DAV: 7 -0.191623722130E+04 0.28293E-02 -0.20009E-03 2136 0.783E-02 0.385E-01
DAV: 8 -0.191623318380E+04 0.40375E-02 -0.11904E-03 2960 0.119E-01 0.300E-01
DAV: 9 -0.191622853466E+04 0.46491E-02 -0.59397E-03 2456 0.182E-01 0.218E-01
DAV: 10 -0.191622873023E+04 -0.19556E-03 -0.47034E-03 1816 0.653E-02 0.173E-01
DAV: 11 -0.191622856251E+04 0.16771E-03 -0.12057E-04 2016 0.135E-02 0.167E-01
DAV: 12 -0.191622817352E+04 0.38899E-03 -0.35144E-05 1608 0.178E-02 0.166E-01
DAV: 13 -0.191622694619E+04 0.12273E-02 -0.42594E-04 2672 0.557E-02 0.182E-01
DAV: 14 -0.191622665167E+04 0.29451E-03 -0.36173E-04 1864 0.200E-02 0.178E-01
DAV: 15 -0.191622662571E+04 0.25967E-04 -0.37027E-05 1712 0.638E-03 0.176E-01
DAV: 16 -0.191622664552E+04 -0.19810E-04 -0.77486E-07 944 0.158E-03 0.175E-01
DAV: 17 -0.191622664857E+04 -0.30525E-05 -0.35043E-07 944 0.632E-04
559 T= 3145. E= -.17857350E+04 F= -.19162266E+04 E0= -.19162456E+04 EK= 0.13049E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191603827924E+04 0.18837E+00 0.66448E-02 1984 0.818E-01 0.555E-01
DAV: 2 -0.191602276440E+04 0.15515E-01 -0.31937E-02 2744 0.348E-01 0.305E-01
DAV: 3 -0.191601949789E+04 0.32665E-02 -0.13503E-02 1888 0.174E-01 0.217E-01
DAV: 4 -0.191601637399E+04 0.31239E-02 -0.40718E-03 2064 0.145E-01 0.140E-01
DAV: 5 -0.191601149522E+04 0.48788E-02 -0.41824E-03 2856 0.204E-01 0.180E-01
DAV: 6 -0.191601036045E+04 0.11348E-02 -0.63926E-03 1856 0.956E-02 0.162E-01
DAV: 7 -0.191601036117E+04 -0.72776E-06 -0.60935E-04 1848 0.247E-02 0.174E-01
DAV: 8 -0.191600942211E+04 0.93907E-03 -0.56852E-04 2584 0.599E-02 0.160E-01
DAV: 9 -0.191601099198E+04 -0.15699E-02 -0.16576E-03 2664 0.801E-02 0.208E-01
DAV: 10 -0.191600913266E+04 0.18593E-02 -0.74909E-04 2440 0.961E-02 0.212E-01
DAV: 11 -0.191600904235E+04 0.90311E-04 -0.12808E-03 2384 0.622E-02 0.275E-01
DAV: 12 -0.191600916715E+04 -0.12480E-03 -0.50182E-04 1936 0.359E-02 0.290E-01
DAV: 13 -0.191600923244E+04 -0.65289E-04 -0.78252E-05 2016 0.840E-03 0.308E-01
DAV: 14 -0.191600932781E+04 -0.95365E-04 -0.59545E-06 1160 0.495E-03 0.330E-01
DAV: 15 -0.191600970599E+04 -0.37819E-03 -0.29717E-04 1784 0.184E-02 0.444E-01
DAV: 16 -0.191600966962E+04 0.36376E-04 -0.16786E-05 1160 0.510E-03 0.434E-01
DAV: 17 -0.191600970315E+04 -0.33535E-04 -0.27388E-06 952 0.248E-03 0.436E-01
DAV: 18 -0.191600947266E+04 0.23049E-03 -0.35001E-05 1704 0.832E-03 0.402E-01
DAV: 19 -0.191600927020E+04 0.20246E-03 -0.65169E-05 1816 0.768E-03 0.356E-01
DAV: 20 -0.191600921144E+04 0.58759E-04 -0.42973E-05 1496 0.961E-03 0.323E-01
DAV: 21 -0.191600880651E+04 0.40493E-03 -0.43956E-04 1832 0.204E-02 0.191E-01
DAV: 22 -0.191600857194E+04 0.23457E-03 -0.23113E-04 1928 0.191E-02 0.937E-02
DAV: 23 -0.191600853838E+04 0.33559E-04 -0.15113E-04 1808 0.115E-02 0.472E-02
DAV: 24 -0.191600854661E+04 -0.82355E-05 -0.72786E-06 1032 0.376E-03
560 T= 3140. E= -.17857297E+04 F= -.19160085E+04 E0= -.19160295E+04 EK= 0.13028E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191603822587E+04 -0.29687E-01 -0.35095E-01 1584 0.921E-01 0.660E+00
DAV: 2 -0.191682375402E+04 -0.78553E+00 -0.50867E+00 2888 0.396E+00 0.603E+00
DAV: 3 -0.191603348333E+04 0.79027E+00 -0.19186E+00 2504 0.198E+00 0.326E+00
DAV: 4 -0.191585429965E+04 0.17918E+00 -0.11025E+00 1864 0.132E+00 0.121E+00
DAV: 5 -0.191584822854E+04 0.60711E-02 -0.18601E-01 1912 0.466E-01 0.805E-01
DAV: 6 -0.191583487574E+04 0.13353E-01 -0.12189E-02 2232 0.177E-01 0.681E-01
DAV: 7 -0.191582918830E+04 0.56874E-02 -0.44959E-03 2024 0.109E-01 0.596E-01
DAV: 8 -0.191582161704E+04 0.75713E-02 -0.15995E-03 3008 0.140E-01 0.485E-01
DAV: 9 -0.191580986767E+04 0.11749E-01 -0.67202E-03 2640 0.276E-01 0.329E-01
DAV: 10 -0.191580935459E+04 0.51309E-03 -0.10958E-02 1832 0.106E-01 0.239E-01
DAV: 11 -0.191580915786E+04 0.19673E-03 -0.50250E-04 1936 0.243E-02 0.228E-01
DAV: 12 -0.191580751414E+04 0.16437E-02 -0.49432E-04 2520 0.610E-02 0.212E-01
DAV: 13 -0.191580608708E+04 0.14271E-02 -0.74917E-04 2368 0.601E-02 0.209E-01
DAV: 14 -0.191580539530E+04 0.69179E-03 -0.60348E-04 1896 0.378E-02 0.203E-01
DAV: 15 -0.191580473305E+04 0.66225E-03 -0.12057E-04 2208 0.288E-02 0.208E-01
DAV: 16 -0.191580434994E+04 0.38311E-03 -0.15884E-04 1880 0.195E-02 0.209E-01
DAV: 17 -0.191580417727E+04 0.17267E-03 -0.22642E-05 1440 0.805E-03 0.211E-01
DAV: 18 -0.191580418640E+04 -0.91307E-05 -0.64519E-06 1016 0.277E-03
561 T= 3135. E= -.17857354E+04 F= -.19158042E+04 E0= -.19158235E+04 EK= 0.13007E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191562877669E+04 0.17540E+00 0.89633E-02 2800 0.894E-01 0.624E-01
DAV: 2 -0.191560829899E+04 0.20478E-01 -0.44951E-02 2816 0.409E-01 0.392E-01
DAV: 3 -0.191560396937E+04 0.43296E-02 -0.19475E-02 1888 0.205E-01 0.250E-01
DAV: 4 -0.191559953070E+04 0.44387E-02 -0.57715E-03 1992 0.174E-01 0.164E-01
DAV: 5 -0.191559200715E+04 0.75235E-02 -0.76631E-03 2920 0.274E-01 0.182E-01
DAV: 6 -0.191559151340E+04 0.49376E-03 -0.10648E-02 1848 0.116E-01 0.152E-01
DAV: 7 -0.191559175463E+04 -0.24123E-03 -0.81780E-04 1864 0.425E-02 0.158E-01
DAV: 8 -0.191559214903E+04 -0.39440E-03 -0.15823E-04 2000 0.163E-02 0.187E-01
DAV: 9 -0.191559111105E+04 0.10380E-02 -0.60412E-03 1888 0.864E-02 0.193E-01
DAV: 10 -0.191559086900E+04 0.24205E-03 -0.46479E-04 2040 0.467E-02 0.204E-01
DAV: 11 -0.191559054017E+04 0.32883E-03 -0.26378E-03 1840 0.776E-02 0.848E-02
DAV: 12 -0.191559095550E+04 -0.41534E-03 -0.11014E-03 2464 0.746E-02 0.125E-01
DAV: 13 -0.191559064174E+04 0.31376E-03 -0.99814E-04 2392 0.745E-02 0.995E-02
DAV: 14 -0.191559050685E+04 0.13490E-03 -0.25829E-04 2040 0.274E-02 0.310E-02
DAV: 15 -0.191559050351E+04 0.33363E-05 -0.88073E-05 2152 0.179E-02
562 T= 3130. E= -.17857294E+04 F= -.19155905E+04 E0= -.19156102E+04 EK= 0.12986E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191569385210E+04 -0.10335E+00 -0.31870E-01 2280 0.970E-01 0.771E+00
DAV: 2 -0.191681802273E+04 -0.11242E+01 -0.79378E+00 2968 0.466E+00 0.701E+00
DAV: 3 -0.191573253621E+04 0.10855E+01 -0.25936E+00 2504 0.223E+00 0.391E+00
DAV: 4 -0.191546886702E+04 0.26367E+00 -0.15690E+00 1872 0.157E+00 0.147E+00
DAV: 5 -0.191545929377E+04 0.95732E-02 -0.26076E-01 1888 0.557E-01 0.101E+00
DAV: 6 -0.191543685016E+04 0.22444E-01 -0.21242E-02 2296 0.236E-01 0.821E-01
DAV: 7 -0.191542591120E+04 0.10939E-01 -0.82229E-03 2152 0.161E-01 0.694E-01
DAV: 8 -0.191541486687E+04 0.11044E-01 -0.27279E-03 2800 0.179E-01 0.565E-01
DAV: 9 -0.191540190179E+04 0.12965E-01 -0.72032E-03 2552 0.264E-01 0.387E-01
DAV: 10 -0.191540085338E+04 0.10484E-02 -0.10879E-02 1864 0.117E-01 0.307E-01
DAV: 11 -0.191540048022E+04 0.37317E-03 -0.40109E-04 1936 0.231E-02 0.300E-01
DAV: 12 -0.191540042953E+04 0.50686E-04 -0.36819E-05 1728 0.607E-03 0.297E-01
DAV: 13 -0.191540049115E+04 -0.61624E-04 -0.15369E-06 1024 0.240E-03 0.298E-01
DAV: 14 -0.191539868449E+04 0.18067E-02 -0.40630E-04 2520 0.566E-02 0.276E-01
DAV: 15 -0.191539615040E+04 0.25341E-02 -0.28833E-03 2584 0.113E-01 0.279E-01
DAV: 16 -0.191539655791E+04 -0.40751E-03 -0.19588E-03 1792 0.424E-02 0.335E-01
DAV: 17 -0.191539629583E+04 0.26208E-03 -0.19785E-04 1808 0.149E-02 0.295E-01
DAV: 18 -0.191539573692E+04 0.55891E-03 -0.23846E-03 1816 0.454E-02 0.243E-01
DAV: 19 -0.191539600148E+04 -0.26456E-03 -0.11861E-03 1896 0.337E-02 0.306E-01
DAV: 20 -0.191539289019E+04 0.31113E-02 -0.13740E-03 2832 0.106E-01 0.272E-01
DAV: 21 -0.191539352762E+04 -0.63743E-03 -0.98039E-04 1856 0.367E-02 0.244E-01
DAV: 22 -0.191539306970E+04 0.45793E-03 -0.18445E-04 1856 0.231E-02 0.269E-01
DAV: 23 -0.191539223236E+04 0.83734E-03 -0.13671E-04 2216 0.282E-02 0.272E-01
DAV: 24 -0.191539158747E+04 0.64489E-03 -0.24336E-04 1920 0.243E-02 0.265E-01
DAV: 25 -0.191539156549E+04 0.21984E-04 -0.63229E-05 1720 0.844E-03 0.262E-01
DAV: 26 -0.191539129987E+04 0.26562E-03 -0.69302E-06 1240 0.823E-03 0.263E-01
DAV: 27 -0.191539137037E+04 -0.70499E-04 -0.47252E-06 976 0.346E-03 0.261E-01
DAV: 28 -0.191539137424E+04 -0.38682E-05 -0.14805E-06 920 0.117E-03
563 T= 3125. E= -.17857359E+04 F= -.19153914E+04 E0= -.19154105E+04 EK= 0.12966E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191522763756E+04 0.16373E+00 0.11352E-01 2064 0.968E-01 0.708E-01
DAV: 2 -0.191520244645E+04 0.25191E-01 -0.56714E-02 2752 0.469E-01 0.426E-01
DAV: 3 -0.191519683560E+04 0.56108E-02 -0.23631E-02 1888 0.232E-01 0.284E-01
DAV: 4 -0.191519071141E+04 0.61242E-02 -0.77121E-03 2064 0.213E-01 0.191E-01
DAV: 5 -0.191518080353E+04 0.99079E-02 -0.13113E-02 2912 0.353E-01 0.108E-01
DAV: 6 -0.191518202850E+04 -0.12250E-02 -0.15967E-02 1848 0.134E-01 0.289E-01
DAV: 7 -0.191518210044E+04 -0.71937E-04 -0.38745E-03 2328 0.117E-01 0.179E-01
DAV: 8 -0.191518697984E+04 -0.48794E-02 -0.41754E-03 2576 0.157E-01 0.262E-01
DAV: 9 -0.191518088780E+04 0.60920E-02 -0.78195E-03 2320 0.239E-01 0.110E-01
DAV: 10 -0.191518163767E+04 -0.74988E-03 -0.35616E-03 2112 0.671E-02 0.267E-01
DAV: 11 -0.191518069309E+04 0.94459E-03 -0.30038E-03 2288 0.681E-02 0.385E-02
DAV: 12 -0.191518151469E+04 -0.82160E-03 -0.17631E-03 2248 0.781E-02 0.229E-01
DAV: 13 -0.191518081168E+04 0.70300E-03 -0.24806E-03 2360 0.813E-02 0.779E-02
DAV: 14 -0.191518092930E+04 -0.11762E-03 -0.35922E-04 1824 0.156E-02 0.925E-02
DAV: 15 -0.191518091941E+04 0.98952E-05 -0.84062E-06 1272 0.323E-03
564 T= 3120. E= -.17857294E+04 F= -.19151809E+04 E0= -.19152008E+04 EK= 0.12945E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191524581950E+04 -0.64890E-01 -0.36681E-01 1368 0.960E-01 0.725E+00
DAV: 2 -0.191626031098E+04 -0.10145E+01 -0.60784E+00 2896 0.442E+00 0.661E+00
DAV: 3 -0.191528775641E+04 0.97255E+00 -0.22955E+00 2480 0.215E+00 0.364E+00
DAV: 4 -0.191505698066E+04 0.23078E+00 -0.13774E+00 1864 0.149E+00 0.137E+00
DAV: 5 -0.191504748267E+04 0.94980E-02 -0.23508E-01 1912 0.533E-01 0.937E-01
DAV: 6 -0.191503030776E+04 0.17175E-01 -0.15550E-02 2176 0.199E-01 0.802E-01
DAV: 7 -0.191502000845E+04 0.10299E-01 -0.58907E-03 2208 0.144E-01 0.684E-01
DAV: 8 -0.191500749396E+04 0.12514E-01 -0.31445E-03 2840 0.195E-01 0.543E-01
DAV: 9 -0.191499602914E+04 0.11465E-01 -0.77786E-03 2360 0.245E-01 0.382E-01
DAV: 10 -0.191499526268E+04 0.76646E-03 -0.93020E-03 1840 0.106E-01 0.321E-01
DAV: 11 -0.191499467535E+04 0.58734E-03 -0.24235E-04 2128 0.219E-02 0.312E-01
DAV: 12 -0.191499441606E+04 0.25928E-03 -0.52127E-05 1776 0.100E-02 0.308E-01
DAV: 13 -0.191499382458E+04 0.59148E-03 -0.86069E-06 1400 0.165E-02 0.303E-01
DAV: 14 -0.191498883260E+04 0.49920E-02 -0.17835E-03 2608 0.141E-01 0.299E-01
DAV: 15 -0.191498829607E+04 0.53653E-03 -0.15047E-03 1824 0.341E-02 0.282E-01
DAV: 16 -0.191498763571E+04 0.66036E-03 -0.71565E-05 2064 0.205E-02 0.284E-01
DAV: 17 -0.191498768865E+04 -0.52935E-04 -0.62285E-05 1792 0.919E-03 0.279E-01
DAV: 18 -0.191498749069E+04 0.19795E-03 -0.53032E-06 1152 0.659E-03 0.281E-01
DAV: 19 -0.191498731736E+04 0.17334E-03 -0.50692E-05 1736 0.144E-02 0.282E-01
DAV: 20 -0.191498710374E+04 0.21362E-03 -0.28321E-05 1616 0.803E-03 0.282E-01
DAV: 21 -0.191498665571E+04 0.44802E-03 -0.11108E-05 1400 0.133E-02 0.288E-01
DAV: 22 -0.191498694975E+04 -0.29404E-03 -0.99655E-06 1304 0.100E-02 0.282E-01
DAV: 23 -0.191498767162E+04 -0.72187E-03 -0.61991E-05 1824 0.245E-02 0.271E-01
DAV: 24 -0.191498790992E+04 -0.23830E-03 -0.77918E-05 1800 0.959E-03 0.273E-01
DAV: 25 -0.191498796850E+04 -0.58582E-04 -0.90512E-06 1032 0.356E-03 0.273E-01
DAV: 26 -0.191498841814E+04 -0.44964E-03 -0.19398E-05 1480 0.160E-02 0.267E-01
DAV: 27 -0.191498896205E+04 -0.54391E-03 -0.87751E-05 2000 0.201E-02 0.262E-01
DAV: 28 -0.191498931528E+04 -0.35323E-03 -0.74182E-05 1976 0.133E-02 0.264E-01
DAV: 29 -0.191498920591E+04 0.10936E-03 -0.18963E-05 1320 0.582E-03 0.266E-01
DAV: 30 -0.191498916662E+04 0.39294E-04 -0.27052E-06 928 0.180E-03 0.266E-01
DAV: 31 -0.191498946099E+04 -0.29437E-03 -0.51031E-06 1192 0.105E-02 0.264E-01
DAV: 32 -0.191498883065E+04 0.63034E-03 -0.19813E-05 1384 0.205E-02 0.268E-01
DAV: 33 -0.191498972782E+04 -0.89716E-03 -0.46211E-05 1456 0.308E-02 0.261E-01
DAV: 34 -0.191498941524E+04 0.31258E-03 -0.11066E-05 1344 0.112E-02 0.265E-01
DAV: 35 -0.191498906974E+04 0.34549E-03 -0.10189E-05 1384 0.112E-02 0.267E-01
DAV: 36 -0.191498991934E+04 -0.84960E-03 -0.55686E-05 1600 0.294E-02 0.262E-01
DAV: 37 -0.191498996256E+04 -0.43219E-04 -0.56007E-05 1704 0.499E-03 0.266E-01
DAV: 38 -0.191498984895E+04 0.11362E-03 -0.12967E-06 968 0.415E-03 0.267E-01
DAV: 39 -0.191499006113E+04 -0.21218E-03 -0.24579E-06 1072 0.774E-03 0.266E-01
DAV: 40 -0.191499068172E+04 -0.62060E-03 -0.49407E-05 1736 0.192E-02 0.266E-01
DAV: 41 -0.191498743515E+04 0.32466E-02 -0.81780E-04 2600 0.987E-02 0.282E-01
DAV: 42 -0.191498721253E+04 0.22262E-03 -0.54046E-04 1824 0.173E-02 0.270E-01
DAV: 43 -0.191498655916E+04 0.65337E-03 -0.45419E-05 1744 0.201E-02 0.278E-01
DAV: 44 -0.191498752436E+04 -0.96521E-03 -0.93655E-05 1960 0.316E-02 0.262E-01
DAV: 45 -0.191499010765E+04 -0.25833E-02 -0.89986E-04 2632 0.865E-02 0.251E-01
DAV: 46 -0.191499082446E+04 -0.71682E-03 -0.76420E-04 1832 0.285E-02 0.265E-01
DAV: 47 -0.191506233528E+04 -0.71511E-01 -0.48225E-02 3008 0.986E-01 0.101E+00
DAV: 48 -0.191509087020E+04 -0.28535E-01 -0.83910E-02 1840 0.284E-01 0.127E+00
DAV: 49 -0.191509155055E+04 -0.68035E-03 -0.68609E-03 1920 0.850E-02 0.132E+00
DAV: 50 -0.191509047377E+04 0.10768E-02 -0.28195E-04 2144 0.156E-02 0.131E+00
DAV: 51 -0.191506391689E+04 0.26557E-01 -0.37069E-03 2928 0.193E-01 0.115E+00
DAV: 52 -0.191506376827E+04 0.14862E-03 -0.25541E-03 1800 0.398E-02 0.113E+00
DAV: 53 -0.191504392444E+04 0.19844E-01 -0.29780E-03 2968 0.176E-01 0.990E-01
DAV: 54 -0.191502758546E+04 0.16339E-01 -0.72922E-03 2616 0.175E-01 0.838E-01
DAV: 55 -0.191502056075E+04 0.70247E-02 -0.57609E-03 1888 0.113E-01 0.734E-01
DAV: 56 -0.191502406201E+04 -0.35013E-02 -0.16073E-03 1944 0.596E-02 0.729E-01
DAV: 57 -0.191500419544E+04 0.19867E-01 -0.69103E-03 3016 0.274E-01 0.527E-01
DAV: 58 -0.191500172567E+04 0.24698E-02 -0.65009E-03 1880 0.863E-02 0.457E-01
DAV: 59 -0.191500351736E+04 -0.17917E-02 -0.75131E-04 1920 0.417E-02 0.466E-01
DAV: 60 -0.191500466484E+04 -0.11475E-02 -0.14092E-04 1936 0.231E-02 0.482E-01
DAV: 61 -0.191500233866E+04 0.23262E-02 -0.17941E-04 2248 0.425E-02 0.453E-01
DAV: 62 -0.191500697055E+04 -0.46319E-02 -0.76342E-04 2848 0.875E-02 0.506E-01
DAV: 63 -0.191500485520E+04 0.21153E-02 -0.68718E-04 2016 0.475E-02 0.492E-01
DAV: 64 -0.191499420242E+04 0.10653E-01 -0.43876E-03 2952 0.233E-01 0.365E-01
DAV: 65 -0.191498635837E+04 0.78441E-02 -0.11119E-02 2616 0.234E-01 0.315E-01
DAV: 66 -0.191498565866E+04 0.69971E-03 -0.75058E-03 1816 0.868E-02 0.280E-01
DAV: 67 -0.191498119847E+04 0.44602E-02 -0.18325E-03 3056 0.119E-01 0.286E-01
DAV: 68 -0.191498111577E+04 0.82698E-04 -0.88485E-04 1848 0.236E-02 0.274E-01
DAV: 69 -0.191498037569E+04 0.74008E-03 -0.49178E-05 1640 0.215E-02 0.261E-01
DAV: 70 -0.191498007668E+04 0.29901E-03 -0.71464E-05 1824 0.113E-02 0.249E-01
DAV: 71 -0.191498017074E+04 -0.94054E-04 -0.17560E-05 1256 0.485E-03 0.252E-01
DAV: 72 -0.191497893737E+04 0.12334E-02 -0.22628E-04 2160 0.461E-02 0.194E-01
DAV: 73 -0.191497978278E+04 -0.84542E-03 -0.12666E-04 2144 0.288E-02 0.238E-01
DAV: 74 -0.191497928936E+04 0.49342E-03 -0.29887E-05 1424 0.161E-02 0.214E-01
DAV: 75 -0.191498000345E+04 -0.71409E-03 -0.42771E-05 1456 0.231E-02 0.246E-01
DAV: 76 -0.191498036154E+04 -0.35809E-03 -0.62269E-05 1808 0.129E-02 0.260E-01
DAV: 77 -0.191498331040E+04 -0.29489E-02 -0.83483E-04 2680 0.884E-02 0.275E-01
DAV: 78 -0.191498219615E+04 0.11142E-02 -0.37565E-04 1928 0.355E-02 0.284E-01
DAV: 79 -0.191497918129E+04 0.30149E-02 -0.10473E-03 2736 0.904E-02 0.214E-01
DAV: 80 -0.191497983784E+04 -0.65654E-03 -0.21201E-04 1824 0.246E-02 0.238E-01
DAV: 81 -0.191497995933E+04 -0.12150E-03 -0.42829E-05 1784 0.747E-03 0.243E-01
DAV: 82 -0.191498820762E+04 -0.82483E-02 -0.68797E-03 2960 0.256E-01 0.237E-01
DAV: 83 -0.191499029659E+04 -0.20890E-02 -0.53370E-03 1824 0.676E-02 0.262E-01
DAV: 84 -0.191499329011E+04 -0.29935E-02 -0.10355E-03 2880 0.861E-02 0.293E-01
DAV: 85 -0.191499371818E+04 -0.42807E-03 -0.62940E-04 1864 0.222E-02 0.307E-01
DAV: 86 -0.191499267406E+04 0.10441E-02 -0.88559E-05 2112 0.282E-02 0.298E-01
DAV: 87 -0.191498912465E+04 0.35494E-02 -0.13218E-03 2688 0.986E-02 0.276E-01
DAV: 88 -0.191498822723E+04 0.89742E-03 -0.10771E-03 1880 0.375E-02 0.264E-01
DAV: 89 -0.191498563723E+04 0.25900E-02 -0.65693E-04 2712 0.778E-02 0.287E-01
DAV: 90 -0.191498418058E+04 0.14567E-02 -0.79285E-04 2048 0.458E-02 0.295E-01
DAV: 91 -0.191498390705E+04 0.27353E-03 -0.35135E-04 1832 0.201E-02 0.291E-01
DAV: 92 -0.191498569231E+04 -0.17853E-02 -0.25480E-04 2424 0.500E-02 0.269E-01
DAV: 93 -0.191498804617E+04 -0.23539E-02 -0.89975E-04 2664 0.756E-02 0.252E-01
DAV: 94 -0.191498926548E+04 -0.12193E-02 -0.92584E-04 1896 0.442E-02 0.263E-01
DAV: 95 -0.191499024501E+04 -0.97953E-03 -0.29661E-04 2376 0.365E-02 0.268E-01
DAV: 96 -0.191499046869E+04 -0.22368E-03 -0.18057E-04 1824 0.158E-02 0.272E-01
DAV: 97 -0.191499138351E+04 -0.91482E-03 -0.11128E-04 1976 0.312E-02 0.274E-01
DAV: 98 -0.191499004834E+04 0.13352E-02 -0.13651E-04 2096 0.405E-02 0.272E-01
DAV: 99 -0.191499001809E+04 0.30248E-04 -0.41139E-05 1616 0.460E-03 0.269E-01
DAV: 100 -0.191499036403E+04 -0.34594E-03 -0.69981E-06 1312 0.112E-02 0.269E-01
DAV: 101 -0.191499104135E+04 -0.67732E-03 -0.73406E-05 1992 0.217E-02 0.273E-01
DAV: 102 -0.191499068070E+04 0.36066E-03 -0.44475E-05 1760 0.121E-02 0.274E-01
DAV: 103 -0.191499034536E+04 0.33533E-03 -0.24801E-05 1544 0.107E-02 0.271E-01
DAV: 104 -0.191498991634E+04 0.42903E-03 -0.33419E-05 1744 0.139E-02 0.269E-01
DAV: 105 -0.191498948380E+04 0.43254E-03 -0.39871E-05 1824 0.146E-02 0.268E-01
DAV: 106 -0.191498940955E+04 0.74247E-04 -0.29575E-05 1544 0.602E-03 0.265E-01
DAV: 107 -0.191499050489E+04 -0.10953E-02 -0.10275E-04 2000 0.346E-02 0.267E-01
DAV: 108 -0.191499098559E+04 -0.48070E-03 -0.17476E-04 1880 0.171E-02 0.278E-01
DAV: 109 -0.191499119389E+04 -0.20830E-03 -0.46223E-05 1808 0.903E-03 0.283E-01
DAV: 110 -0.191499098074E+04 0.21315E-03 -0.40684E-06 1136 0.683E-03 0.282E-01
DAV: 111 -0.191499113763E+04 -0.15689E-03 -0.12465E-06 976 0.480E-03 0.283E-01
DAV: 112 -0.191499162603E+04 -0.48840E-03 -0.14231E-05 1376 0.146E-02 0.284E-01
DAV: 113 -0.191498999344E+04 0.16326E-02 -0.15184E-04 1888 0.494E-02 0.276E-01
DAV: 114 -0.191498964532E+04 0.34812E-03 -0.21022E-04 1872 0.148E-02 0.267E-01
DAV: 115 -0.191498844776E+04 0.11976E-02 -0.12902E-04 1920 0.378E-02 0.268E-01
DAV: 116 -0.191498852405E+04 -0.76293E-04 -0.12277E-04 1776 0.903E-03 0.260E-01
DAV: 117 -0.191498926051E+04 -0.73645E-03 -0.56321E-05 1752 0.250E-02 0.260E-01
DAV: 118 -0.191498832108E+04 0.93943E-03 -0.86961E-05 2032 0.298E-02 0.267E-01
DAV: 119 -0.191498585036E+04 0.24707E-02 -0.69776E-04 2664 0.747E-02 0.286E-01
DAV: 120 -0.191498577037E+04 0.79989E-04 -0.45376E-04 1792 0.165E-02 0.273E-01
DAV: 121 -0.191498589770E+04 -0.12733E-03 -0.62861E-06 1256 0.532E-03 0.271E-01
DAV: 122 -0.191498938027E+04 -0.34826E-02 -0.12913E-03 2832 0.114E-01 0.251E-01
DAV: 123 -0.191498601569E+04 0.33646E-02 -0.11444E-03 2584 0.109E-01 0.290E-01
DAV: 124 -0.191498452017E+04 0.14955E-02 -0.62735E-04 2432 0.433E-02 0.301E-01
DAV: 125 -0.191498514799E+04 -0.62781E-03 -0.13084E-04 1888 0.221E-02 0.286E-01
DAV: 126 -0.191498533514E+04 -0.18715E-03 -0.32409E-05 1696 0.730E-03 0.285E-01
DAV: 127 -0.191497828259E+04 0.70526E-02 -0.46140E-03 2944 0.211E-01 0.172E-01
DAV: 128 -0.191498444502E+04 -0.61624E-02 -0.34850E-03 2824 0.180E-01 0.273E-01
DAV: 129 -0.191498488099E+04 -0.43598E-03 -0.60396E-04 1808 0.199E-02 0.276E-01
DAV: 130 -0.191498485288E+04 0.28109E-04 -0.39483E-05 1776 0.633E-03 0.279E-01
DAV: 131 -0.191498493346E+04 -0.80580E-04 -0.16434E-06 1064 0.264E-03 0.278E-01
DAV: 132 -0.191498714211E+04 -0.22086E-02 -0.58913E-04 2704 0.699E-02 0.260E-01
DAV: 133 -0.191498560084E+04 0.15413E-02 -0.28309E-04 2464 0.505E-02 0.279E-01
DAV: 134 -0.191498522675E+04 0.37409E-03 -0.86463E-05 1832 0.119E-02 0.280E-01
DAV: 135 -0.191498454894E+04 0.67781E-03 -0.47989E-05 1776 0.200E-02 0.286E-01
DAV: 136 -0.191498368312E+04 0.86582E-03 -0.11487E-04 2176 0.256E-02 0.292E-01
DAV: 137 -0.191498041750E+04 0.32656E-02 -0.82194E-04 2688 0.913E-02 0.281E-01
DAV: 138 -0.191498028080E+04 0.13670E-03 -0.85089E-04 1792 0.241E-02 0.261E-01
DAV: 139 -0.191497885825E+04 0.14225E-02 -0.29095E-04 2288 0.495E-02 0.194E-01
DAV: 140 -0.191497848283E+04 0.37542E-03 -0.30458E-04 2064 0.256E-02 0.137E-01
DAV: 141 -0.191497853427E+04 -0.51446E-04 -0.11556E-04 1736 0.109E-02 0.137E-01
DAV: 142 -0.191497978423E+04 -0.12500E-02 -0.32031E-04 2272 0.529E-02 0.229E-01
DAV: 143 -0.191497974305E+04 0.41180E-04 -0.20267E-04 1768 0.111E-02 0.237E-01
DAV: 144 -0.191497971998E+04 0.23066E-04 -0.28750E-06 1160 0.177E-03 0.237E-01
DAV: 145 -0.191497919108E+04 0.52890E-03 -0.28635E-05 1504 0.188E-02 0.211E-01
DAV: 146 -0.191497841213E+04 0.77895E-03 -0.26634E-04 2408 0.391E-02 0.134E-01
DAV: 147 -0.191497883245E+04 -0.42032E-03 -0.13683E-04 1920 0.191E-02 0.175E-01
DAV: 148 -0.191497875929E+04 0.73166E-04 -0.13001E-05 1136 0.444E-03 0.169E-01
DAV: 149 -0.191497886006E+04 -0.10078E-03 -0.43792E-06 1056 0.479E-03 0.179E-01
DAV: 150 -0.191497883677E+04 0.23290E-04 -0.30984E-06 880 0.178E-03 0.178E-01
DAV: 151 -0.191497873696E+04 0.99810E-04 -0.15344E-06 1008 0.492E-03 0.169E-01
DAV: 152 -0.191497983607E+04 -0.10991E-02 -0.20493E-04 2088 0.432E-02 0.237E-01
DAV: 153 -0.191497887553E+04 0.96055E-03 -0.12874E-04 2048 0.329E-02 0.188E-01
DAV: 154 -0.191497837282E+04 0.50270E-03 -0.15753E-04 2080 0.288E-02 0.125E-01
DAV: 155 -0.191497880902E+04 -0.43620E-03 -0.62252E-05 1664 0.214E-02 0.171E-01
DAV: 156 -0.191497846209E+04 0.34693E-03 -0.31441E-05 1432 0.171E-02 0.133E-01
DAV: 157 -0.191498206293E+04 -0.36008E-02 -0.16587E-03 2784 0.124E-01 0.279E-01
DAV: 158 -0.191498217608E+04 -0.11315E-03 -0.96792E-04 1800 0.235E-02 0.299E-01
DAV: 159 -0.191498188808E+04 0.28800E-03 -0.19214E-05 1480 0.850E-03 0.300E-01
DAV: 160 -0.191498093925E+04 0.94883E-03 -0.80957E-05 1944 0.270E-02 0.294E-01
DAV: 161 -0.191497962873E+04 0.13105E-02 -0.28823E-04 2400 0.416E-02 0.257E-01
DAV: 162 -0.191497904107E+04 0.58766E-03 -0.35989E-04 1904 0.284E-02 0.211E-01
DAV: 163 -0.191497846656E+04 0.57451E-03 -0.12218E-04 2080 0.317E-02 0.148E-01
DAV: 164 -0.191497830121E+04 0.16535E-03 -0.26628E-04 1896 0.233E-02 0.978E-02
DAV: 165 -0.191497834536E+04 -0.44149E-04 -0.35744E-05 1592 0.611E-03 0.101E-01
DAV: 166 -0.191497827666E+04 0.68703E-04 -0.73508E-06 1248 0.762E-03 0.816E-02
DAV: 167 -0.191497834213E+04 -0.65477E-04 -0.46137E-06 1032 0.614E-03 0.949E-02
DAV: 168 -0.191497821509E+04 0.12704E-03 -0.39281E-05 1448 0.163E-02 0.514E-02
DAV: 169 -0.191497826599E+04 -0.50897E-04 -0.11828E-05 1136 0.692E-03 0.650E-02
DAV: 170 -0.191497820934E+04 0.56650E-04 -0.52628E-05 1664 0.164E-02 0.307E-02
DAV: 171 -0.191497822232E+04 -0.12985E-04 -0.15562E-05 1190 0.612E-03 0.355E-02
DAV: 172 -0.191497821666E+04 0.56603E-05 -0.72837E-06 984 0.496E-03
565 T= 3115. E= -.17857293E+04 F= -.19149782E+04 E0= -.19149969E+04 EK= 0.12925E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191478142530E+04 0.19680E+00 -0.21596E-03 2424 0.535E-01 0.329E-01
DAV: 2 -0.191477843553E+04 0.29898E-02 -0.16447E-02 2712 0.193E-01 0.365E-01
DAV: 3 -0.191477745291E+04 0.98262E-03 -0.99967E-03 2600 0.914E-02 0.153E-01
DAV: 4 -0.191477683247E+04 0.62043E-03 -0.10010E-03 1920 0.545E-02 0.465E-02
DAV: 5 -0.191477680454E+04 0.27937E-04 -0.31662E-04 2016 0.326E-02 0.531E-02
DAV: 6 -0.191477678523E+04 0.19304E-04 -0.15636E-04 1928 0.168E-02 0.265E-02
DAV: 7 -0.191477677141E+04 0.13826E-04 -0.43652E-05 1704 0.803E-03 0.122E-02
DAV: 8 -0.191477676789E+04 0.35184E-05 -0.47956E-06 1080 0.461E-03
566 T= 3110. E= -.17857294E+04 F= -.19147768E+04 E0= -.19147951E+04 EK= 0.12905E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191457637942E+04 0.20039E+00 -0.17269E-04 1392 0.503E-01 0.143E-01
DAV: 2 -0.191457692645E+04 -0.54703E-03 -0.47346E-03 2608 0.714E-02 0.261E-01
DAV: 3 -0.191457611677E+04 0.80968E-03 -0.34114E-03 2768 0.471E-02 0.508E-02
DAV: 4 -0.191457616680E+04 -0.50033E-04 -0.18227E-04 1848 0.158E-02 0.261E-02
DAV: 5 -0.191457616516E+04 0.16469E-05 -0.24741E-05 1544 0.821E-03
567 T= 3105. E= -.17857294E+04 F= -.19145762E+04 E0= -.19145940E+04 EK= 0.12885E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191437617040E+04 0.20000E+00 -0.99811E-05 1374 0.502E-01 0.404E-02
DAV: 2 -0.191437624462E+04 -0.74214E-04 -0.55481E-04 2008 0.242E-02 0.668E-02
DAV: 3 -0.191437618543E+04 0.59188E-04 -0.98574E-05 1870 0.136E-02 0.138E-02
DAV: 4 -0.191437618872E+04 -0.32886E-05 -0.19916E-05 1304 0.499E-03
568 T= 3100. E= -.17857294E+04 F= -.19143762E+04 E0= -.19143937E+04 EK= 0.12865E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191417660972E+04 0.19958E+00 -0.20952E-04 2248 0.500E-01 0.287E-02
DAV: 2 -0.191417668483E+04 -0.75112E-04 -0.70258E-04 2000 0.227E-02 0.395E-02
DAV: 3 -0.191417666437E+04 0.20463E-04 -0.63938E-05 1664 0.989E-03 0.192E-02
DAV: 4 -0.191417666357E+04 0.80037E-06 -0.10257E-05 1096 0.418E-03
569 T= 3096. E= -.17857294E+04 F= -.19141767E+04 E0= -.19141938E+04 EK= 0.12845E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191397743189E+04 0.19923E+00 -0.89209E-05 1320 0.501E-01 0.286E-02
DAV: 2 -0.191397749241E+04 -0.60521E-04 -0.71733E-04 1912 0.246E-02 0.264E-02
DAV: 3 -0.191397748469E+04 0.77160E-05 -0.30542E-05 1512 0.913E-03
570 T= 3091. E= -.17857294E+04 F= -.19139775E+04 E0= -.19139942E+04 EK= 0.12825E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191377857905E+04 0.19891E+00 -0.15013E-04 1798 0.499E-01 0.577E-02
DAV: 2 -0.191377871347E+04 -0.13442E-03 -0.14319E-03 1888 0.446E-02 0.830E-02
DAV: 3 -0.191377862670E+04 0.86768E-04 -0.22043E-04 2166 0.208E-02 0.292E-02
DAV: 4 -0.191377862501E+04 0.16957E-05 -0.57632E-05 1672 0.878E-03
571 T= 3086. E= -.17857295E+04 F= -.19137786E+04 E0= -.19137950E+04 EK= 0.12805E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191358012573E+04 0.19850E+00 -0.10314E-04 1432 0.498E-01 0.624E-02
DAV: 2 -0.191358027358E+04 -0.14785E-03 -0.19339E-03 1896 0.516E-02 0.862E-02
DAV: 3 -0.191358019334E+04 0.80244E-04 -0.29074E-04 2168 0.223E-02 0.394E-02
DAV: 4 -0.191358018479E+04 0.85443E-05 -0.65442E-05 1728 0.966E-03
572 T= 3081. E= -.17857295E+04 F= -.19135802E+04 E0= -.19135961E+04 EK= 0.12785E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191338231685E+04 0.19788E+00 -0.19679E-04 2368 0.497E-01 0.711E-02
DAV: 2 -0.191338242127E+04 -0.10442E-03 -0.21934E-03 1912 0.537E-02 0.487E-02
DAV: 3 -0.191338239034E+04 0.30931E-04 -0.14417E-04 2040 0.200E-02 0.304E-02
DAV: 4 -0.191338238643E+04 0.39127E-05 -0.53186E-05 1664 0.823E-03
573 T= 3077. E= -.17857294E+04 F= -.19133824E+04 E0= -.19133980E+04 EK= 0.12765E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191318553974E+04 0.19685E+00 -0.15120E-04 2088 0.496E-01 0.804E-02
DAV: 2 -0.191318560718E+04 -0.67438E-04 -0.22605E-03 1888 0.556E-02 0.476E-02
DAV: 3 -0.191318559332E+04 0.13853E-04 -0.21064E-04 2040 0.203E-02 0.322E-02
DAV: 4 -0.191318558634E+04 0.69854E-05 -0.68999E-05 1776 0.987E-03
574 T= 3072. E= -.17857294E+04 F= -.19131856E+04 E0= -.19132008E+04 EK= 0.12746E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191299021942E+04 0.19537E+00 -0.18583E-04 2192 0.495E-01 0.598E-02
DAV: 2 -0.191299031177E+04 -0.92347E-04 -0.18910E-03 1880 0.480E-02 0.460E-02
DAV: 3 -0.191299029294E+04 0.18827E-04 -0.19207E-04 2112 0.179E-02 0.354E-02
DAV: 4 -0.191299028122E+04 0.11728E-04 -0.45727E-05 1472 0.827E-03 0.144E-02
DAV: 5 -0.191299028046E+04 0.75756E-06 -0.21006E-05 1256 0.567E-03
575 T= 3067. E= -.17857294E+04 F= -.19129903E+04 E0= -.19130050E+04 EK= 0.12726E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191279705765E+04 0.19322E+00 -0.14473E-04 1726 0.494E-01 0.329E-02
DAV: 2 -0.191279715665E+04 -0.98999E-04 -0.12531E-03 1896 0.345E-02 0.377E-02
DAV: 3 -0.191279713713E+04 0.19517E-04 -0.63827E-05 1814 0.116E-02 0.237E-02
DAV: 4 -0.191279713512E+04 0.20114E-05 -0.17423E-05 1128 0.508E-03
576 T= 3062. E= -.17857294E+04 F= -.19127971E+04 E0= -.19128114E+04 EK= 0.12707E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191260687499E+04 0.19026E+00 -0.39087E-04 2822 0.493E-01 0.386E-02
DAV: 2 -0.191260701936E+04 -0.14437E-03 -0.18390E-03 1912 0.413E-02 0.427E-02
DAV: 3 -0.191260699243E+04 0.26930E-04 -0.83219E-05 2048 0.141E-02 0.256E-02
DAV: 4 -0.191260698753E+04 0.48990E-05 -0.41505E-05 1624 0.782E-03
577 T= 3058. E= -.17857293E+04 F= -.19126070E+04 E0= -.19126209E+04 EK= 0.12688E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191242072872E+04 0.18626E+00 -0.36390E-04 2790 0.492E-01 0.504E-02
DAV: 2 -0.191242089361E+04 -0.16490E-03 -0.23511E-03 1904 0.491E-02 0.555E-02
DAV: 3 -0.191242085881E+04 0.34804E-04 -0.17387E-04 2136 0.181E-02 0.370E-02
DAV: 4 -0.191242085036E+04 0.84511E-05 -0.49420E-05 1640 0.752E-03
578 T= 3053. E= -.17857293E+04 F= -.19124209E+04 E0= -.19124343E+04 EK= 0.12669E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191223976809E+04 0.18109E+00 -0.39108E-04 2848 0.491E-01 0.748E-02
DAV: 2 -0.191223987150E+04 -0.10341E-03 -0.27587E-03 1896 0.588E-02 0.486E-02
DAV: 3 -0.191223985160E+04 0.19900E-04 -0.25510E-04 2112 0.217E-02 0.396E-02
DAV: 4 -0.191223983991E+04 0.11687E-04 -0.77031E-05 1720 0.867E-03 0.155E-02
DAV: 5 -0.191223983868E+04 0.12310E-05 -0.12549E-05 1080 0.488E-03
579 T= 3049. E= -.17857292E+04 F= -.19122398E+04 E0= -.19122529E+04 EK= 0.12651E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191206510324E+04 0.17474E+00 -0.32773E-04 2694 0.490E-01 0.677E-02
DAV: 2 -0.191206519322E+04 -0.89976E-04 -0.23598E-03 1888 0.536E-02 0.387E-02
DAV: 3 -0.191206517292E+04 0.20296E-04 -0.16082E-04 2102 0.185E-02 0.224E-02
DAV: 4 -0.191206517179E+04 0.11323E-05 -0.41849E-05 1576 0.679E-03
580 T= 3045. E= -.17857291E+04 F= -.19120652E+04 E0= -.19120777E+04 EK= 0.12634E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191189804323E+04 0.16713E+00 -0.20256E-04 2222 0.489E-01 0.510E-02
DAV: 2 -0.191189813472E+04 -0.91496E-04 -0.16823E-03 1904 0.427E-02 0.347E-02
DAV: 3 -0.191189811827E+04 0.16459E-04 -0.10756E-04 2072 0.146E-02 0.207E-02
DAV: 4 -0.191189811635E+04 0.19153E-05 -0.26850E-05 1224 0.573E-03
581 T= 3041. E= -.17857290E+04 F= -.19118981E+04 E0= -.19119102E+04 EK= 0.12617E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191173989629E+04 0.15822E+00 -0.21595E-04 2230 0.488E-01 0.461E-02
DAV: 2 -0.191174000010E+04 -0.10381E-03 -0.17135E-03 1920 0.416E-02 0.360E-02
DAV: 3 -0.191173998045E+04 0.19651E-04 -0.96636E-05 2080 0.143E-02 0.203E-02
DAV: 4 -0.191173997930E+04 0.11554E-05 -0.24078E-05 1224 0.558E-03
582 T= 3037. E= -.17857290E+04 F= -.19117400E+04 E0= -.19117516E+04 EK= 0.12601E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191159191572E+04 0.14806E+00 -0.15837E-04 1958 0.487E-01 0.514E-02
DAV: 2 -0.191159201720E+04 -0.10148E-03 -0.18774E-03 1904 0.456E-02 0.395E-02
DAV: 3 -0.191159199357E+04 0.23629E-04 -0.11506E-04 2088 0.159E-02 0.222E-02
DAV: 4 -0.191159199163E+04 0.19392E-05 -0.34857E-05 1496 0.665E-03
583 T= 3033. E= -.17857289E+04 F= -.19115920E+04 E0= -.19116032E+04 EK= 0.12586E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191145515411E+04 0.13684E+00 -0.14664E-04 1752 0.486E-01 0.564E-02
DAV: 2 -0.191145523685E+04 -0.82742E-04 -0.18601E-03 1904 0.464E-02 0.386E-02
DAV: 3 -0.191145521879E+04 0.18062E-04 -0.16053E-04 2086 0.163E-02 0.278E-02
DAV: 4 -0.191145521372E+04 0.50661E-05 -0.40726E-05 1224 0.621E-03
584 T= 3030. E= -.17857288E+04 F= -.19114552E+04 E0= -.19114659E+04 EK= 0.12573E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191133040936E+04 0.12481E+00 -0.39405E-04 2630 0.486E-01 0.592E-02
DAV: 2 -0.191133051285E+04 -0.10350E-03 -0.21324E-03 1904 0.487E-02 0.372E-02
DAV: 3 -0.191133049416E+04 0.18699E-04 -0.14111E-04 2096 0.167E-02 0.222E-02
DAV: 4 -0.191133049224E+04 0.19182E-05 -0.35215E-05 1344 0.634E-03
585 T= 3027. E= -.17857288E+04 F= -.19113305E+04 E0= -.19113407E+04 EK= 0.12560E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191121828075E+04 0.11221E+00 -0.42778E-04 2742 0.485E-01 0.578E-02
DAV: 2 -0.191121840707E+04 -0.12632E-03 -0.23472E-03 1904 0.504E-02 0.469E-02
DAV: 3 -0.191121839140E+04 0.15668E-04 -0.35275E-04 2120 0.195E-02 0.421E-02
DAV: 4 -0.191121837491E+04 0.16492E-04 -0.94792E-05 1664 0.824E-03 0.142E-02
DAV: 5 -0.191121837517E+04 -0.26196E-06 -0.95986E-06 1008 0.421E-03
586 T= 3024. E= -.17857288E+04 F= -.19112184E+04 E0= -.19112281E+04 EK= 0.12549E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191111898089E+04 0.99394E-01 -0.43708E-04 2702 0.485E-01 0.520E-02
DAV: 2 -0.191111910606E+04 -0.12518E-03 -0.20730E-03 1920 0.464E-02 0.442E-02
DAV: 3 -0.191111909131E+04 0.14757E-04 -0.32703E-04 2110 0.177E-02 0.393E-02
DAV: 4 -0.191111907808E+04 0.13229E-04 -0.10691E-04 1512 0.763E-03 0.142E-02
DAV: 5 -0.191111907819E+04 -0.11714E-06 -0.86641E-06 992 0.378E-03
587 T= 3022. E= -.17857288E+04 F= -.19111191E+04 E0= -.19111283E+04 EK= 0.12539E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191103227005E+04 0.86808E-01 -0.48300E-04 2718 0.484E-01 0.451E-02
DAV: 2 -0.191103239268E+04 -0.12263E-03 -0.18582E-03 1920 0.427E-02 0.358E-02
DAV: 3 -0.191103237690E+04 0.15779E-04 -0.13124E-04 2064 0.150E-02 0.252E-02
DAV: 4 -0.191103237362E+04 0.32890E-05 -0.38251E-05 1264 0.565E-03
588 T= 3020. E= -.17857289E+04 F= -.19110324E+04 E0= -.19110411E+04 EK= 0.12530E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191095749787E+04 0.74879E-01 -0.47094E-04 2684 0.483E-01 0.516E-02
DAV: 2 -0.191095762084E+04 -0.12297E-03 -0.20779E-03 1920 0.464E-02 0.372E-02
DAV: 3 -0.191095760084E+04 0.20005E-04 -0.12693E-04 2080 0.164E-02 0.215E-02
DAV: 4 -0.191095759981E+04 0.10307E-05 -0.39411E-05 1456 0.619E-03
589 T= 3018. E= -.17857289E+04 F= -.19109576E+04 E0= -.19109659E+04 EK= 0.12523E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191089359369E+04 0.64007E-01 -0.10875E-04 1848 0.484E-01 0.569E-02
DAV: 2 -0.191089369402E+04 -0.10032E-03 -0.20431E-03 1920 0.481E-02 0.401E-02
DAV: 3 -0.191089367185E+04 0.22162E-04 -0.14920E-04 2112 0.173E-02 0.237E-02
DAV: 4 -0.191089367033E+04 0.15208E-05 -0.48202E-05 1408 0.666E-03
590 T= 3017. E= -.17857290E+04 F= -.19108937E+04 E0= -.19109015E+04 EK= 0.12516E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191083902349E+04 0.54648E-01 -0.31557E-04 2630 0.483E-01 0.582E-02
DAV: 2 -0.191083912810E+04 -0.10461E-03 -0.21493E-03 1912 0.487E-02 0.393E-02
DAV: 3 -0.191083911244E+04 0.15666E-04 -0.22188E-04 2096 0.174E-02 0.318E-02
DAV: 4 -0.191083910528E+04 0.71565E-05 -0.69597E-05 1312 0.670E-03
591 T= 3015. E= -.17857292E+04 F= -.19108391E+04 E0= -.19108464E+04 EK= 0.12511E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191079198314E+04 0.47129E-01 -0.19035E-04 2420 0.483E-01 0.633E-02
DAV: 2 -0.191079208575E+04 -0.10261E-03 -0.23361E-03 1912 0.522E-02 0.394E-02
DAV: 3 -0.191079206391E+04 0.21846E-04 -0.16452E-04 2104 0.183E-02 0.222E-02
DAV: 4 -0.191079206305E+04 0.85734E-06 -0.58147E-05 1608 0.771E-03
592 T= 3014. E= -.17857293E+04 F= -.19107921E+04 E0= -.19107990E+04 EK= 0.12506E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191075030926E+04 0.41755E-01 -0.10690E-04 1838 0.483E-01 0.582E-02
DAV: 2 -0.191075040241E+04 -0.93145E-04 -0.19432E-03 1912 0.475E-02 0.374E-02
DAV: 3 -0.191075038303E+04 0.19375E-04 -0.15178E-04 2072 0.167E-02 0.228E-02
DAV: 4 -0.191075038164E+04 0.13918E-05 -0.53683E-05 1336 0.629E-03
593 T= 3013. E= -.17857295E+04 F= -.19107504E+04 E0= -.19107569E+04 EK= 0.12502E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191071161508E+04 0.38768E-01 -0.12930E-04 2134 0.482E-01 0.527E-02
DAV: 2 -0.191071170142E+04 -0.86337E-04 -0.17562E-03 1920 0.439E-02 0.346E-02
DAV: 3 -0.191071168401E+04 0.17406E-04 -0.11816E-04 2064 0.153E-02 0.190E-02
DAV: 4 -0.191071168272E+04 0.12915E-05 -0.37472E-05 1376 0.645E-03
594 T= 3012. E= -.17857296E+04 F= -.19107117E+04 E0= -.19107180E+04 EK= 0.12498E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191067343075E+04 0.38253E-01 -0.18194E-04 2214 0.482E-01 0.512E-02
DAV: 2 -0.191067355438E+04 -0.12363E-03 -0.18995E-03 1928 0.426E-02 0.720E-02
DAV: 3 -0.191067352620E+04 0.28175E-04 -0.87457E-04 2144 0.186E-02 0.557E-02
DAV: 4 -0.191067349909E+04 0.27106E-04 -0.20405E-04 1576 0.992E-03 0.142E-02
DAV: 5 -0.191067350156E+04 -0.24677E-05 -0.17286E-05 1120 0.489E-03
595 T= 3011. E= -.17857298E+04 F= -.19106735E+04 E0= -.19106796E+04 EK= 0.12494E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191063329052E+04 0.40209E-01 -0.15819E-04 2030 0.482E-01 0.444E-02
DAV: 2 -0.191063342382E+04 -0.13330E-03 -0.18170E-03 1928 0.388E-02 0.746E-02
DAV: 3 -0.191063337725E+04 0.46571E-04 -0.76346E-04 2104 0.168E-02 0.459E-02
DAV: 4 -0.191063336267E+04 0.14576E-04 -0.13018E-04 1456 0.896E-03 0.152E-02
DAV: 5 -0.191063336276E+04 -0.88097E-07 -0.14099E-05 1040 0.453E-03
596 T= 3010. E= -.17857299E+04 F= -.19106334E+04 E0= -.19106398E+04 EK= 0.12490E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191058868064E+04 0.44682E-01 -0.29303E-04 2542 0.483E-01 0.377E-02
DAV: 2 -0.191058877235E+04 -0.91714E-04 -0.17236E-03 1920 0.387E-02 0.448E-02
DAV: 3 -0.191058874086E+04 0.31495E-04 -0.26855E-04 2070 0.149E-02 0.381E-02
DAV: 4 -0.191058872608E+04 0.14781E-04 -0.62025E-05 1256 0.630E-03 0.254E-02
DAV: 5 -0.191058873873E+04 -0.12655E-04 -0.37298E-06 1008 0.300E-03 0.261E-02
DAV: 6 -0.191058884505E+04 -0.10631E-03 -0.11098E-04 1952 0.240E-02 0.393E-02
DAV: 7 -0.191058890182E+04 -0.56771E-04 -0.15169E-04 2112 0.169E-02 0.472E-02
DAV: 8 -0.191058893002E+04 -0.28199E-04 -0.45441E-05 1808 0.973E-03 0.486E-02
DAV: 9 -0.191058895948E+04 -0.29463E-04 -0.98768E-06 1288 0.791E-03 0.494E-02
DAV: 10 -0.191058895903E+04 0.44616E-06 -0.10533E-05 1104 0.300E-03
597 T= 3009. E= -.17857301E+04 F= -.19105890E+04 E0= -.19105951E+04 EK= 0.12486E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191053827129E+04 0.50688E-01 -0.44584E-04 2704 0.482E-01 0.164E-01
DAV: 2 -0.191053785913E+04 0.41216E-03 -0.54435E-03 1928 0.102E-01 0.603E-02
DAV: 3 -0.191053786039E+04 -0.12590E-05 -0.10001E-03 1968 0.371E-02 0.737E-02
DAV: 4 -0.191053780493E+04 0.55454E-04 -0.50932E-04 1960 0.165E-02 0.493E-02
DAV: 5 -0.191053774453E+04 0.60404E-04 -0.15885E-04 1728 0.119E-02 0.332E-02
DAV: 6 -0.191053769117E+04 0.53360E-04 -0.40472E-05 1608 0.905E-03 0.319E-02
DAV: 7 -0.191053773517E+04 -0.44005E-04 -0.14423E-05 1304 0.645E-03 0.326E-02
DAV: 8 -0.191053777438E+04 -0.39210E-04 -0.15934E-05 1384 0.705E-03 0.306E-02
DAV: 9 -0.191053810378E+04 -0.32940E-03 -0.71881E-04 2592 0.637E-02 0.333E-02
DAV: 10 -0.191053828821E+04 -0.18443E-03 -0.69164E-04 1904 0.297E-02 0.554E-02
DAV: 11 -0.191053816976E+04 0.11845E-03 -0.12612E-04 1904 0.198E-02 0.631E-02
DAV: 12 -0.191053796581E+04 0.20395E-03 -0.29389E-04 2232 0.350E-02 0.492E-02
DAV: 13 -0.191053735429E+04 0.61152E-03 -0.10995E-03 2720 0.824E-02 0.534E-02
DAV: 14 -0.191053756156E+04 -0.20727E-03 -0.69204E-04 1824 0.256E-02 0.494E-02
DAV: 15 -0.191053765505E+04 -0.93491E-04 -0.52523E-05 1720 0.146E-02 0.401E-02
DAV: 16 -0.191053816387E+04 -0.50882E-03 -0.14533E-03 2928 0.102E-01 0.395E-02
DAV: 17 -0.191053918484E+04 -0.10210E-02 -0.31492E-03 2408 0.105E-01 0.113E-01
DAV: 18 -0.191053929878E+04 -0.11393E-03 -0.13839E-03 1800 0.354E-02 0.160E-01
DAV: 19 -0.191053916808E+04 0.13069E-03 -0.22898E-05 1456 0.933E-03 0.158E-01
DAV: 20 -0.191053865095E+04 0.51713E-03 -0.24766E-04 2304 0.406E-02 0.139E-01
DAV: 21 -0.191053834807E+04 0.30288E-03 -0.48183E-04 2272 0.377E-02 0.120E-01
DAV: 22 -0.191053811505E+04 0.23302E-03 -0.34700E-04 2400 0.386E-02 0.996E-02
DAV: 23 -0.191053795165E+04 0.16340E-03 -0.30569E-04 2328 0.334E-02 0.750E-02
DAV: 24 -0.191053789455E+04 0.57107E-04 -0.11796E-04 1912 0.157E-02 0.589E-02
DAV: 25 -0.191053783639E+04 0.58155E-04 -0.23144E-05 1536 0.103E-02 0.599E-02
DAV: 26 -0.191053757605E+04 0.26034E-03 -0.19216E-04 2216 0.345E-02 0.611E-02
DAV: 27 -0.191053748338E+04 0.92666E-04 -0.20564E-04 1880 0.163E-02 0.544E-02
DAV: 28 -0.191053747933E+04 0.40488E-05 -0.24014E-05 1368 0.497E-03
598 T= 3008. E= -.17857297E+04 F= -.19105375E+04 E0= -.19105457E+04 EK= 0.12481E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191047651501E+04 0.60968E-01 -0.83777E-05 2436 0.502E-01 0.165E-01
DAV: 2 -0.191047618199E+04 0.33301E-03 -0.42119E-03 2024 0.930E-02 0.963E-02
DAV: 3 -0.191047651983E+04 -0.33784E-03 -0.40386E-03 2160 0.464E-02 0.218E-01
DAV: 4 -0.191047608239E+04 0.43744E-03 -0.21907E-03 2320 0.270E-02 0.320E-02
DAV: 5 -0.191047615483E+04 -0.72443E-04 -0.15492E-04 1776 0.113E-02 0.178E-02
DAV: 6 -0.191047615218E+04 0.26554E-05 -0.30624E-05 1112 0.695E-03
599 T= 3007. E= -.17857281E+04 F= -.19104762E+04 E0= -.19104856E+04 EK= 0.12475E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191043016058E+04 0.45994E-01 -0.13364E-01 2190 0.526E-01 0.134E+00
DAV: 2 -0.191044187532E+04 -0.11715E-01 -0.19223E+00 2776 0.671E-01 0.168E+00
DAV: 3 -0.191044505270E+04 -0.31774E-02 -0.73898E-01 2352 0.437E-01 0.116E+00
DAV: 4 -0.191041459001E+04 0.30463E-01 -0.27175E-02 2448 0.245E-01 0.561E-01
DAV: 5 -0.191041196313E+04 0.26269E-02 -0.34144E-02 1912 0.181E-01 0.465E-01
DAV: 6 -0.191041034320E+04 0.16199E-02 -0.44444E-03 1880 0.853E-02 0.216E-01
DAV: 7 -0.191040999572E+04 0.34748E-03 -0.47749E-03 1872 0.469E-02 0.139E-01
DAV: 8 -0.191040981049E+04 0.18523E-03 -0.20327E-03 1936 0.268E-02 0.118E-01
DAV: 9 -0.191040941238E+04 0.39811E-03 -0.71216E-04 2088 0.267E-02 0.703E-02
DAV: 10 -0.191040901680E+04 0.39558E-03 -0.55327E-04 2248 0.348E-02 0.613E-02
DAV: 11 -0.191040884029E+04 0.17651E-03 -0.24947E-04 1872 0.214E-02 0.624E-02
DAV: 12 -0.191040876547E+04 0.74810E-04 -0.24559E-05 1416 0.762E-03 0.634E-02
DAV: 13 -0.191040871893E+04 0.46546E-04 -0.94146E-06 1200 0.419E-03 0.642E-02
DAV: 14 -0.191040872734E+04 -0.84157E-05 -0.27927E-06 976 0.179E-03
600 T= 3005. E= -.17857304E+04 F= -.19104087E+04 E0= -.19104156E+04 EK= 0.12468E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191033694402E+04 0.71775E-01 0.26158E-02 2788 0.619E-01 0.239E-01
DAV: 2 -0.191033266486E+04 0.42792E-02 -0.12073E-02 2336 0.125E-01 0.266E-01
DAV: 3 -0.191033254826E+04 0.11659E-03 -0.16985E-02 2072 0.870E-02 0.363E-01
DAV: 4 -0.191033045860E+04 0.20897E-02 -0.53153E-03 2328 0.716E-02 0.105E-01
DAV: 5 -0.191032981379E+04 0.64480E-03 -0.10690E-03 2040 0.535E-02 0.619E-02
DAV: 6 -0.191032911349E+04 0.70030E-03 -0.95115E-04 2280 0.630E-02 0.652E-02
DAV: 7 -0.191032848009E+04 0.63340E-03 -0.91060E-04 2208 0.531E-02 0.530E-02
DAV: 8 -0.191032765107E+04 0.82902E-03 -0.50221E-04 2168 0.545E-02 0.666E-02
DAV: 9 -0.191032774212E+04 -0.91043E-04 -0.49586E-04 1800 0.213E-02 0.750E-02
DAV: 10 -0.191032771548E+04 0.26639E-04 -0.68294E-06 1224 0.301E-03 0.723E-02
DAV: 11 -0.191032778922E+04 -0.73742E-04 -0.76581E-06 1080 0.334E-03 0.781E-02
DAV: 12 -0.191032837495E+04 -0.58573E-03 -0.21914E-04 2088 0.268E-02 0.115E-01
DAV: 13 -0.191033040425E+04 -0.20293E-02 -0.32882E-03 2448 0.154E-01 0.202E-01
DAV: 14 -0.191033582870E+04 -0.54244E-02 -0.64185E-03 2200 0.159E-01 0.407E-01
DAV: 15 -0.191033441011E+04 0.14186E-02 -0.43471E-03 1824 0.643E-02 0.229E-01
DAV: 16 -0.191033563945E+04 -0.12293E-02 -0.51871E-04 2728 0.451E-02 0.219E-01
DAV: 17 -0.191033290932E+04 0.27301E-02 -0.17976E-03 1944 0.720E-02 0.191E-01
DAV: 18 -0.191032795536E+04 0.49540E-02 -0.24407E-02 2144 0.315E-01 0.751E-01
DAV: 19 -0.191032844516E+04 -0.48980E-03 -0.14246E-02 1920 0.991E-02 0.744E-01
DAV: 20 -0.191032855179E+04 -0.10663E-03 -0.97024E-04 1880 0.300E-02 0.699E-01
DAV: 21 -0.191032841494E+04 0.13685E-03 -0.35025E-04 2040 0.378E-02 0.620E-01
DAV: 22 -0.191032940216E+04 -0.98722E-03 -0.26463E-03 2144 0.101E-01 0.433E-01
DAV: 23 -0.191033103359E+04 -0.16314E-02 -0.86013E-03 2136 0.188E-01 0.142E-01
DAV: 24 -0.191033381180E+04 -0.27782E-02 -0.67636E-03 1968 0.947E-02 0.178E-01
DAV: 25 -0.191033567888E+04 -0.18671E-02 -0.14200E-03 2216 0.573E-02 0.212E-01
DAV: 26 -0.191033586204E+04 -0.18316E-03 -0.30716E-04 1808 0.169E-02 0.218E-01
DAV: 27 -0.191033865106E+04 -0.27890E-02 -0.46247E-04 2288 0.538E-02 0.258E-01
DAV: 28 -0.191033768906E+04 0.96199E-03 -0.10592E-04 1824 0.201E-02 0.245E-01
DAV: 29 -0.191033765507E+04 0.33998E-04 -0.33438E-05 1512 0.471E-03 0.244E-01
DAV: 30 -0.191033636684E+04 0.12882E-02 -0.99845E-05 2032 0.252E-02 0.225E-01
DAV: 31 -0.191033164057E+04 0.47263E-02 -0.23092E-03 2464 0.124E-01 0.163E-01
DAV: 32 -0.191032945815E+04 0.21824E-02 -0.43447E-03 2208 0.115E-01 0.182E-01
DAV: 33 -0.191032924429E+04 0.21386E-03 -0.22673E-03 1904 0.509E-02 0.142E-01
DAV: 34 -0.191032917463E+04 0.69655E-04 -0.12161E-04 1872 0.119E-02 0.143E-01
DAV: 35 -0.191032909381E+04 0.80827E-04 -0.19376E-05 1448 0.725E-03 0.144E-01
DAV: 36 -0.191032905242E+04 0.41384E-04 -0.79725E-06 1096 0.437E-03 0.145E-01
DAV: 37 -0.191032902842E+04 0.23998E-04 -0.28262E-06 1016 0.253E-03 0.144E-01
DAV: 38 -0.191032901943E+04 0.89934E-05 -0.20782E-06 920 0.153E-03
601 T= 3003. E= -.17857314E+04 F= -.19103290E+04 E0= -.19103333E+04 EK= 0.12460E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191023518854E+04 0.93840E-01 -0.11798E-03 2830 0.488E-01 0.521E-01
DAV: 2 -0.191023280526E+04 0.23833E-02 -0.10127E-02 2336 0.131E-01 0.338E-01
DAV: 3 -0.191023603104E+04 -0.32258E-02 -0.20714E-02 2288 0.123E-01 0.750E-01
DAV: 4 -0.191023174963E+04 0.42814E-02 -0.21395E-02 2488 0.937E-02 0.204E-01
DAV: 5 -0.191023232291E+04 -0.57328E-03 -0.22458E-03 2192 0.547E-02 0.703E-02
DAV: 6 -0.191023222497E+04 0.97932E-04 -0.48442E-04 1896 0.250E-02 0.456E-02
DAV: 7 -0.191023219413E+04 0.30844E-04 -0.16727E-04 1776 0.149E-02 0.293E-02
DAV: 8 -0.191023218456E+04 0.95698E-05 -0.60776E-05 1624 0.886E-03
602 T= 3001. E= -.17857275E+04 F= -.19102322E+04 E0= -.19102400E+04 EK= 0.12450E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191024964531E+04 -0.17451E-01 -0.37356E-01 2848 0.635E-01 0.347E+00
DAV: 2 -0.191039377229E+04 -0.14413E+00 -0.13486E+01 2744 0.177E+00 0.302E+00
DAV: 3 -0.191025700960E+04 0.13676E+00 -0.15010E+00 2120 0.882E-01 0.172E+00
DAV: 4 -0.191017725194E+04 0.79758E-01 -0.13873E-01 2160 0.479E-01 0.929E-01
DAV: 5 -0.191015510931E+04 0.22143E-01 -0.74902E-02 1888 0.360E-01 0.107E+00
DAV: 6 -0.191014512085E+04 0.99885E-02 -0.41533E-02 2024 0.189E-01 0.521E-01
DAV: 7 -0.191014234252E+04 0.27783E-02 -0.47342E-03 1880 0.753E-02 0.391E-01
DAV: 8 -0.191013908460E+04 0.32579E-02 -0.14715E-03 2096 0.516E-02 0.294E-01
DAV: 9 -0.191013397054E+04 0.51141E-02 -0.39925E-03 2392 0.113E-01 0.167E-01
DAV: 10 -0.191013291482E+04 0.10557E-02 -0.40843E-03 1904 0.690E-02 0.123E-01
DAV: 11 -0.191013243466E+04 0.48016E-03 -0.55021E-04 1968 0.325E-02 0.104E-01
DAV: 12 -0.191013230381E+04 0.13085E-03 -0.12530E-04 1880 0.122E-02 0.107E-01
DAV: 13 -0.191013241751E+04 -0.11369E-03 -0.18073E-05 1264 0.572E-03 0.113E-01
DAV: 14 -0.191013154975E+04 0.86776E-03 -0.30264E-04 2240 0.411E-02 0.857E-02
DAV: 15 -0.191013098890E+04 0.56084E-03 -0.41919E-04 2184 0.321E-02 0.783E-02
DAV: 16 -0.191013075435E+04 0.23456E-03 -0.20981E-04 1896 0.191E-02 0.811E-02
DAV: 17 -0.191013075036E+04 0.39867E-05 -0.34664E-05 1512 0.586E-03
603 T= 2998. E= -.17857316E+04 F= -.19101308E+04 E0= -.19101354E+04 EK= 0.12440E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191004507746E+04 0.85677E-01 0.64666E-02 2814 0.781E-01 0.472E-01
DAV: 2 -0.191002488779E+04 0.20190E-01 -0.26338E-02 2576 0.245E-01 0.337E-01
DAV: 3 -0.191002296733E+04 0.19205E-02 -0.31269E-02 2048 0.180E-01 0.672E-01
DAV: 4 -0.191001816823E+04 0.47991E-02 -0.27967E-02 2096 0.120E-01 0.290E-01
DAV: 5 -0.191001646920E+04 0.16990E-02 -0.19094E-03 1976 0.738E-02 0.140E-01
DAV: 6 -0.191001488989E+04 0.15793E-02 -0.30565E-03 2216 0.778E-02 0.127E-01
DAV: 7 -0.191001309395E+04 0.17959E-02 -0.17303E-03 2296 0.921E-02 0.856E-02
DAV: 8 -0.191001071883E+04 0.23751E-02 -0.25011E-03 2376 0.110E-01 0.107E-01
DAV: 9 -0.191000835948E+04 0.23593E-02 -0.41036E-03 2360 0.143E-01 0.132E-01
DAV: 10 -0.191001277205E+04 -0.44126E-02 -0.10405E-02 2328 0.217E-01 0.136E-01
DAV: 11 -0.191001283239E+04 -0.60339E-04 -0.27775E-03 1808 0.343E-02 0.948E-02
DAV: 12 -0.191001205664E+04 0.77575E-03 -0.18245E-04 1976 0.367E-02 0.104E-01
DAV: 13 -0.191001090454E+04 0.11521E-02 -0.56989E-04 2112 0.473E-02 0.123E-01
DAV: 14 -0.191000830358E+04 0.26010E-02 -0.17426E-03 2464 0.997E-02 0.762E-02
DAV: 15 -0.191000827471E+04 0.28865E-04 -0.20438E-03 1904 0.556E-02 0.764E-02
DAV: 16 -0.191000973589E+04 -0.14612E-02 -0.45951E-04 2440 0.466E-02 0.276E-01
DAV: 17 -0.191000837086E+04 0.13650E-02 -0.14465E-03 2296 0.823E-02 0.974E-02
DAV: 18 -0.191000825139E+04 0.11948E-03 -0.23957E-04 1768 0.182E-02 0.532E-02
DAV: 19 -0.191000826725E+04 -0.15866E-04 -0.10123E-04 1744 0.231E-02 0.620E-02
DAV: 20 -0.191000828197E+04 -0.14720E-04 -0.50464E-05 1624 0.564E-03 0.725E-02
DAV: 21 -0.191000822482E+04 0.57156E-04 -0.57467E-06 1208 0.675E-03 0.575E-02
DAV: 22 -0.191000821998E+04 0.48414E-05 -0.13144E-05 1088 0.366E-03
604 T= 2995. E= -.17857271E+04 F= -.19100082E+04 E0= -.19100147E+04 EK= 0.12428E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191033084027E+04 -0.32262E+00 -0.70153E-01 2622 0.808E-01 0.662E+00
DAV: 2 -0.191098928623E+04 -0.65845E+00 -0.27915E+00 2744 0.346E+00 0.487E+00
DAV: 3 -0.191028436537E+04 0.70492E+00 -0.10168E+00 2072 0.142E+00 0.292E+00
DAV: 4 -0.191005777240E+04 0.22659E+00 -0.53840E-01 2000 0.860E-01 0.165E+00
DAV: 5 -0.190997150403E+04 0.86268E-01 -0.19019E-01 2008 0.530E-01 0.110E+00
DAV: 6 -0.190994631910E+04 0.25185E-01 -0.92103E-02 1968 0.252E-01 0.110E+00
DAV: 7 -0.190992483002E+04 0.21489E-01 -0.17433E-02 2000 0.156E-01 0.679E-01
DAV: 8 -0.190991431964E+04 0.10510E-01 -0.54064E-03 1952 0.102E-01 0.557E-01
DAV: 9 -0.190990188521E+04 0.12434E-01 -0.53190E-03 2384 0.128E-01 0.433E-01
DAV: 10 -0.190989183390E+04 0.10051E-01 -0.90960E-03 2264 0.151E-01 0.248E-01
DAV: 11 -0.190989063192E+04 0.12020E-02 -0.38020E-03 1896 0.668E-02 0.223E-01
DAV: 12 -0.190988953606E+04 0.10959E-02 -0.27001E-04 2288 0.248E-02 0.201E-01
DAV: 13 -0.190988853403E+04 0.10020E-02 -0.15675E-04 2088 0.226E-02 0.180E-01
DAV: 14 -0.190988651702E+04 0.20170E-02 -0.44196E-04 2304 0.520E-02 0.148E-01
DAV: 15 -0.190988580672E+04 0.71030E-03 -0.62160E-04 1912 0.303E-02 0.134E-01
DAV: 16 -0.190988575253E+04 0.54193E-04 -0.14613E-04 1808 0.115E-02 0.127E-01
DAV: 17 -0.190988519866E+04 0.55387E-03 -0.66178E-05 1792 0.194E-02 0.118E-01
DAV: 18 -0.190988442872E+04 0.76994E-03 -0.22867E-04 2288 0.315E-02 0.108E-01
DAV: 19 -0.190988406553E+04 0.36318E-03 -0.20905E-04 1944 0.198E-02 0.102E-01
DAV: 20 -0.190988409548E+04 -0.29947E-04 -0.47709E-05 1656 0.677E-03 0.102E-01
DAV: 21 -0.190988386765E+04 0.22783E-03 -0.11090E-05 1304 0.938E-03 0.100E-01
DAV: 22 -0.190988340169E+04 0.46596E-03 -0.10354E-04 1976 0.205E-02 0.997E-02
DAV: 23 -0.190988308922E+04 0.31247E-03 -0.10563E-04 2032 0.156E-02 0.100E-01
DAV: 24 -0.190988307872E+04 0.10499E-04 -0.35226E-05 1560 0.570E-03 0.989E-02
DAV: 25 -0.190988305433E+04 0.24392E-04 -0.67774E-07 976 0.136E-03 0.991E-02
DAV: 26 -0.190988305110E+04 0.32283E-05 -0.50396E-07 920 0.675E-04
605 T= 2992. E= -.17857323E+04 F= -.19098831E+04 E0= -.19098869E+04 EK= 0.12415E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190978795366E+04 0.95101E-01 0.73732E-02 2800 0.849E-01 0.559E-01
DAV: 2 -0.190975847716E+04 0.29476E-01 -0.35866E-02 2736 0.306E-01 0.433E-01
DAV: 3 -0.190975435253E+04 0.41246E-02 -0.50724E-02 1960 0.193E-01 0.588E-01
DAV: 4 -0.190974983420E+04 0.45183E-02 -0.50648E-02 2072 0.143E-01 0.459E-01
DAV: 5 -0.190974644384E+04 0.33904E-02 -0.51410E-03 2192 0.111E-01 0.214E-01
DAV: 6 -0.190974406806E+04 0.23758E-02 -0.18929E-03 1976 0.791E-02 0.119E-01
DAV: 7 -0.190974066128E+04 0.34068E-02 -0.26138E-03 2416 0.133E-01 0.109E-01
DAV: 8 -0.190973673952E+04 0.39218E-02 -0.54883E-03 2304 0.143E-01 0.124E-01
DAV: 9 -0.190973715812E+04 -0.41860E-03 -0.58293E-03 2296 0.141E-01 0.347E-01
DAV: 10 -0.190975231113E+04 -0.15153E-01 -0.93885E-02 2464 0.590E-01 0.328E-01
DAV: 11 -0.190975551851E+04 -0.32074E-02 -0.29118E-02 1808 0.115E-01 0.302E-01
DAV: 12 -0.190975061317E+04 0.49053E-02 -0.12610E-03 2104 0.802E-02 0.254E-01
DAV: 13 -0.190974699414E+04 0.36190E-02 -0.20933E-03 2224 0.818E-02 0.197E-01
DAV: 14 -0.190974639873E+04 0.59541E-03 -0.11988E-03 1904 0.372E-02 0.178E-01
DAV: 15 -0.190974449430E+04 0.19044E-02 -0.46480E-04 2400 0.541E-02 0.147E-01
DAV: 16 -0.190974443130E+04 0.62992E-04 -0.29959E-04 1856 0.130E-02 0.143E-01
DAV: 17 -0.190974412092E+04 0.31038E-03 -0.12327E-05 1344 0.103E-02 0.138E-01
DAV: 18 -0.190974355460E+04 0.56632E-03 -0.91728E-05 2000 0.195E-02 0.130E-01
DAV: 19 -0.190974237468E+04 0.11799E-02 -0.36181E-04 2312 0.428E-02 0.118E-01
DAV: 20 -0.190974121813E+04 0.11565E-02 -0.70104E-04 2248 0.481E-02 0.118E-01
DAV: 21 -0.190974133942E+04 -0.12128E-03 -0.32874E-04 1800 0.162E-02 0.119E-01
DAV: 22 -0.190974126277E+04 0.76645E-04 -0.56442E-06 1216 0.385E-03 0.119E-01
DAV: 23 -0.190974074494E+04 0.51783E-03 -0.96120E-05 1984 0.228E-02 0.122E-01
DAV: 24 -0.190974047850E+04 0.26644E-03 -0.12998E-04 1896 0.149E-02 0.125E-01
DAV: 25 -0.190973988732E+04 0.59118E-03 -0.64384E-05 1688 0.227E-02 0.134E-01
DAV: 26 -0.190974005910E+04 -0.17178E-03 -0.53020E-05 1744 0.840E-03 0.133E-01
DAV: 27 -0.190974002556E+04 0.33545E-04 -0.35671E-06 976 0.204E-03 0.133E-01
DAV: 28 -0.190974001803E+04 0.75211E-05 -0.85359E-07 920 0.832E-04
606 T= 2989. E= -.17857312E+04 F= -.19097400E+04 E0= -.19097442E+04 EK= 0.12401E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190959748017E+04 0.14255E+00 -0.81050E-02 1560 0.588E-01 0.109E+00
DAV: 2 -0.190960703265E+04 -0.95525E-02 -0.10777E+00 2712 0.555E-01 0.108E+00
DAV: 3 -0.190960949723E+04 -0.24646E-02 -0.32938E-01 2216 0.302E-01 0.109E+00
DAV: 4 -0.190959069166E+04 0.18806E-01 -0.57910E-02 2424 0.195E-01 0.320E-01
DAV: 5 -0.190958880132E+04 0.18903E-02 -0.85595E-03 1856 0.106E-01 0.199E-01
DAV: 6 -0.190958773720E+04 0.10641E-02 -0.17278E-03 1928 0.480E-02 0.177E-01
DAV: 7 -0.190958710334E+04 0.63386E-03 -0.28585E-04 1968 0.238E-02 0.174E-01
DAV: 8 -0.190958649479E+04 0.60855E-03 -0.16180E-04 2128 0.193E-02 0.173E-01
DAV: 9 -0.190958444042E+04 0.20544E-02 -0.67252E-04 2480 0.560E-02 0.176E-01
DAV: 10 -0.190958227422E+04 0.21662E-02 -0.19460E-03 2320 0.831E-02 0.352E-02
DAV: 11 -0.190958237795E+04 -0.10373E-03 -0.10543E-03 1832 0.293E-02 0.508E-02
DAV: 12 -0.190958237531E+04 0.26465E-05 -0.18047E-05 1384 0.420E-03
607 T= 2985. E= -.17857263E+04 F= -.19095824E+04 E0= -.19095877E+04 EK= 0.12386E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190949833008E+04 0.84048E-01 -0.29693E-01 1920 0.570E-01 0.273E+00
DAV: 2 -0.190960633720E+04 -0.10801E+00 -0.88495E+00 2744 0.136E+00 0.288E+00
DAV: 3 -0.190954073716E+04 0.65600E-01 -0.19321E+00 2352 0.781E-01 0.170E+00
DAV: 4 -0.190946249130E+04 0.78246E-01 -0.99149E-02 2304 0.432E-01 0.105E+00
DAV: 5 -0.190945789415E+04 0.45971E-02 -0.18448E-01 2128 0.368E-01 0.175E+00
DAV: 6 -0.190943443620E+04 0.23458E-01 -0.22918E-02 1920 0.196E-01 0.551E-01
DAV: 7 -0.190943397754E+04 0.45866E-03 -0.15298E-02 1872 0.102E-01 0.338E-01
DAV: 8 -0.190943309542E+04 0.88212E-03 -0.73755E-03 1960 0.566E-02 0.327E-01
DAV: 9 -0.190943027267E+04 0.28227E-02 -0.18542E-03 2224 0.570E-02 0.206E-01
DAV: 10 -0.190942760330E+04 0.26694E-02 -0.24242E-03 2296 0.846E-02 0.177E-01
DAV: 11 -0.190942685585E+04 0.74745E-03 -0.18050E-03 1904 0.445E-02 0.151E-01
DAV: 12 -0.190942677955E+04 0.76297E-04 -0.95013E-05 1816 0.979E-03 0.142E-01
DAV: 13 -0.190942644182E+04 0.33773E-03 -0.27290E-05 1456 0.113E-02 0.140E-01
DAV: 14 -0.190942495968E+04 0.14821E-02 -0.43508E-04 2352 0.455E-02 0.150E-01
DAV: 15 -0.190942387714E+04 0.10825E-02 -0.53716E-04 2160 0.355E-02 0.161E-01
DAV: 16 -0.190942342505E+04 0.45210E-03 -0.22198E-04 1920 0.191E-02 0.161E-01
DAV: 17 -0.190942309887E+04 0.32617E-03 -0.21004E-05 1416 0.938E-03 0.163E-01
DAV: 18 -0.190942324661E+04 -0.14773E-03 -0.14437E-05 1344 0.514E-03 0.161E-01
DAV: 19 -0.190942328927E+04 -0.42668E-04 -0.16932E-06 992 0.163E-03 0.161E-01
DAV: 20 -0.190942340985E+04 -0.12058E-03 -0.20623E-06 1128 0.419E-03 0.160E-01
DAV: 21 -0.190942331425E+04 0.95597E-04 -0.17651E-06 968 0.294E-03 0.161E-01
DAV: 22 -0.190942350956E+04 -0.19530E-03 -0.24899E-06 1008 0.621E-03 0.159E-01
DAV: 23 -0.190942351683E+04 -0.72736E-05 -0.63275E-06 1008 0.199E-03
608 T= 2981. E= -.17857298E+04 F= -.19094235E+04 E0= -.19094292E+04 EK= 0.12369E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190927101882E+04 0.15249E+00 0.44227E-02 1392 0.660E-01 0.331E-01
DAV: 2 -0.190926202296E+04 0.89959E-02 -0.14084E-02 2744 0.183E-01 0.255E-01
DAV: 3 -0.190926146639E+04 0.55657E-03 -0.22095E-02 2000 0.117E-01 0.469E-01
DAV: 4 -0.190925851837E+04 0.29480E-02 -0.82701E-03 2144 0.857E-02 0.231E-01
DAV: 5 -0.190925714814E+04 0.13702E-02 -0.12797E-03 2176 0.676E-02 0.132E-01
DAV: 6 -0.190925426791E+04 0.28802E-02 -0.12873E-03 2328 0.805E-02 0.123E-01
DAV: 7 -0.190926247095E+04 -0.82030E-02 -0.10875E-01 2560 0.288E-01 0.106E+00
DAV: 8 -0.190926069762E+04 0.17733E-02 -0.82026E-01 2544 0.482E-01 0.193E-01
DAV: 9 -0.190926269536E+04 -0.19977E-02 -0.12404E-02 1832 0.672E-02 0.185E-01
DAV: 10 -0.190926229361E+04 0.40175E-03 -0.35938E-04 1960 0.183E-02 0.188E-01
DAV: 11 -0.190926068276E+04 0.16109E-02 -0.22041E-04 2152 0.410E-02 0.168E-01
DAV: 12 -0.190926016828E+04 0.51448E-03 -0.26886E-04 1936 0.227E-02 0.161E-01
DAV: 13 -0.190925920789E+04 0.96039E-03 -0.12171E-04 1984 0.293E-02 0.150E-01
DAV: 14 -0.190925875666E+04 0.45123E-03 -0.20830E-04 1904 0.186E-02 0.144E-01
DAV: 15 -0.190925876386E+04 -0.72078E-05 -0.38800E-05 1480 0.554E-03
609 T= 2977. E= -.17857353E+04 F= -.19092588E+04 E0= -.19092586E+04 EK= 0.12352E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190909382223E+04 0.16493E+00 0.48119E-03 1208 0.539E-01 0.340E-01
DAV: 2 -0.190908724386E+04 0.65784E-02 -0.18389E-02 2592 0.154E-01 0.514E-01
DAV: 3 -0.190908482418E+04 0.24197E-02 -0.27661E-02 2336 0.107E-01 0.385E-01
DAV: 4 -0.190908160833E+04 0.32158E-02 -0.12760E-02 2360 0.105E-01 0.195E-01
DAV: 5 -0.190907947190E+04 0.21364E-02 -0.62676E-03 2208 0.858E-02 0.149E-01
DAV: 6 -0.190907337404E+04 0.60979E-02 -0.37172E-03 2472 0.156E-01 0.127E-01
DAV: 7 -0.190907245933E+04 0.91471E-03 -0.53252E-03 1920 0.952E-02 0.170E-01
DAV: 8 -0.190907551695E+04 -0.30576E-02 -0.45574E-03 2152 0.127E-01 0.173E-01
DAV: 9 -0.190907822576E+04 -0.27088E-02 -0.32843E-03 2256 0.758E-02 0.155E-01
DAV: 10 -0.190907514724E+04 0.30785E-02 -0.17016E-03 2096 0.784E-02 0.159E-01
DAV: 11 -0.190907974730E+04 -0.46001E-02 -0.18641E-03 2448 0.118E-01 0.158E-01
DAV: 12 -0.190908027696E+04 -0.52966E-03 -0.13019E-03 1848 0.250E-02 0.204E-01
DAV: 13 -0.190908106721E+04 -0.79025E-03 -0.12471E-04 2136 0.225E-02 0.230E-01
DAV: 14 -0.190908309004E+04 -0.20228E-02 -0.52887E-04 2416 0.542E-02 0.306E-01
DAV: 15 -0.190908360053E+04 -0.51048E-03 -0.40008E-04 1904 0.191E-02 0.308E-01
DAV: 16 -0.190908375196E+04 -0.15143E-03 -0.36955E-05 1608 0.663E-03 0.311E-01
DAV: 17 -0.190908369035E+04 0.61606E-04 -0.23867E-06 1024 0.210E-03 0.303E-01
DAV: 18 -0.190908387772E+04 -0.18737E-03 -0.21898E-06 1112 0.455E-03 0.313E-01
DAV: 19 -0.190908233255E+04 0.15452E-02 -0.18973E-04 2168 0.387E-02 0.265E-01
DAV: 20 -0.190907910659E+04 0.32260E-02 -0.15814E-03 2424 0.928E-02 0.193E-01
DAV: 21 -0.190907454186E+04 0.45647E-02 -0.35413E-03 2352 0.118E-01 0.195E-01
DAV: 22 -0.190907449510E+04 0.46767E-04 -0.19704E-03 1816 0.383E-02 0.198E-01
DAV: 23 -0.190907172335E+04 0.27717E-02 -0.13498E-03 2376 0.911E-02 0.542E-02
DAV: 24 -0.190907199638E+04 -0.27304E-03 -0.45689E-04 1856 0.228E-02 0.101E-01
DAV: 25 -0.190907204983E+04 -0.53448E-04 -0.32363E-04 2056 0.430E-02 0.125E-01
DAV: 26 -0.190907212786E+04 -0.78031E-04 -0.19200E-04 1840 0.108E-02 0.143E-01
DAV: 27 -0.190907208534E+04 0.42521E-04 -0.70175E-06 1136 0.327E-03 0.148E-01
DAV: 28 -0.190907180249E+04 0.28286E-03 -0.73001E-05 1800 0.175E-02 0.113E-01
DAV: 29 -0.190907271632E+04 -0.91383E-03 -0.66796E-04 2504 0.620E-02 0.163E-01
DAV: 30 -0.190907212603E+04 0.59029E-03 -0.33321E-04 1864 0.244E-02 0.133E-01
DAV: 31 -0.190907193440E+04 0.19163E-03 -0.59806E-05 1712 0.109E-02 0.109E-01
DAV: 32 -0.190907189254E+04 0.41858E-04 -0.17108E-05 1336 0.507E-03 0.101E-01
DAV: 33 -0.190907189906E+04 -0.65176E-05 -0.19008E-06 944 0.146E-03
610 T= 2973. E= -.17857254E+04 F= -.19090719E+04 E0= -.19090764E+04 EK= 0.12335E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190952949753E+04 -0.45760E+00 -0.98346E-01 1696 0.900E-01 0.754E+00
DAV: 2 -0.191038216175E+04 -0.85266E+00 -0.55078E+00 2720 0.388E+00 0.552E+00
DAV: 3 -0.190944599491E+04 0.93617E+00 -0.13215E+00 2056 0.160E+00 0.337E+00
DAV: 4 -0.190915582451E+04 0.29017E+00 -0.69564E-01 1928 0.942E-01 0.196E+00
DAV: 5 -0.190903263526E+04 0.12319E+00 -0.18679E-01 2048 0.650E-01 0.179E+00
DAV: 6 -0.190899949367E+04 0.33142E-01 -0.17644E-01 1952 0.307E-01 0.119E+00
DAV: 7 -0.190896216594E+04 0.37328E-01 -0.26717E-02 2032 0.193E-01 0.879E-01
DAV: 8 -0.190893093285E+04 0.31233E-01 -0.24216E-02 2232 0.211E-01 0.584E-01
DAV: 9 -0.190892065947E+04 0.10273E-01 -0.12397E-02 1936 0.148E-01 0.490E-01
DAV: 10 -0.190891243998E+04 0.82195E-02 -0.46396E-03 2200 0.108E-01 0.356E-01
DAV: 11 -0.190890942774E+04 0.30122E-02 -0.21134E-03 1912 0.619E-02 0.305E-01
DAV: 12 -0.190890506710E+04 0.43606E-02 -0.10095E-03 2584 0.689E-02 0.253E-01
DAV: 13 -0.190890217944E+04 0.28877E-02 -0.15214E-03 2168 0.623E-02 0.200E-01
DAV: 14 -0.190890067007E+04 0.15094E-02 -0.96223E-04 2128 0.479E-02 0.170E-01
DAV: 15 -0.190889970312E+04 0.96695E-03 -0.20357E-04 2128 0.310E-02 0.163E-01
DAV: 16 -0.190889910436E+04 0.59875E-03 -0.17736E-04 1856 0.204E-02 0.156E-01
DAV: 17 -0.190889881995E+04 0.28442E-03 -0.45153E-05 1664 0.102E-02 0.154E-01
DAV: 18 -0.190889886664E+04 -0.46693E-04 -0.11691E-05 1136 0.344E-03 0.155E-01
DAV: 19 -0.190889876780E+04 0.98838E-04 -0.17240E-06 1000 0.305E-03 0.155E-01
DAV: 20 -0.190889757718E+04 0.11906E-02 -0.19471E-04 2192 0.340E-02 0.160E-01
DAV: 21 -0.190889754141E+04 0.35770E-04 -0.11867E-04 1784 0.761E-03 0.156E-01
DAV: 22 -0.190889606784E+04 0.14736E-02 -0.25216E-04 2224 0.399E-02 0.172E-01
DAV: 23 -0.190889588145E+04 0.18639E-03 -0.16503E-04 1848 0.990E-03 0.170E-01
DAV: 24 -0.190889565009E+04 0.23137E-03 -0.61568E-06 1232 0.657E-03 0.173E-01
DAV: 25 -0.190889582061E+04 -0.17053E-03 -0.89764E-06 1224 0.508E-03 0.170E-01
DAV: 26 -0.190889605620E+04 -0.23559E-03 -0.66532E-06 1240 0.619E-03 0.168E-01
DAV: 27 -0.190889623185E+04 -0.17565E-03 -0.10824E-05 1288 0.514E-03 0.167E-01
DAV: 28 -0.190889597221E+04 0.25964E-03 -0.86441E-06 1232 0.710E-03 0.171E-01
DAV: 29 -0.190889587922E+04 0.92990E-04 -0.57459E-06 1064 0.254E-03 0.171E-01
DAV: 30 -0.190889665850E+04 -0.77928E-03 -0.54932E-05 1608 0.212E-02 0.162E-01
DAV: 31 -0.190889796449E+04 -0.13060E-02 -0.32991E-04 2320 0.385E-02 0.156E-01
DAV: 32 -0.190889999347E+04 -0.20290E-02 -0.71384E-04 2400 0.597E-02 0.169E-01
DAV: 33 -0.190889935378E+04 0.63969E-03 -0.40288E-04 1848 0.245E-02 0.161E-01
DAV: 34 -0.190889929839E+04 0.55386E-04 -0.36791E-05 1592 0.474E-03 0.161E-01
DAV: 35 -0.190889922277E+04 0.75619E-04 -0.19823E-06 1024 0.259E-03 0.161E-01
DAV: 36 -0.190889966241E+04 -0.43964E-03 -0.15845E-05 1336 0.123E-02 0.162E-01
DAV: 37 -0.190889984776E+04 -0.18534E-03 -0.32158E-05 1568 0.639E-03 0.164E-01
DAV: 38 -0.190889854932E+04 0.12984E-02 -0.18842E-04 2176 0.360E-02 0.159E-01
DAV: 39 -0.190889701452E+04 0.15348E-02 -0.50725E-04 2328 0.445E-02 0.162E-01
DAV: 40 -0.190889686387E+04 0.15064E-03 -0.27514E-04 1824 0.141E-02 0.157E-01
DAV: 41 -0.190889676541E+04 0.98466E-04 -0.60741E-06 1224 0.367E-03 0.158E-01
DAV: 42 -0.190889649708E+04 0.26832E-03 -0.91281E-06 1304 0.773E-03 0.161E-01
DAV: 43 -0.190889664040E+04 -0.14332E-03 -0.65314E-06 1128 0.438E-03 0.159E-01
DAV: 44 -0.190889711312E+04 -0.47272E-03 -0.23636E-05 1352 0.133E-02 0.154E-01
DAV: 45 -0.190889799661E+04 -0.88349E-03 -0.15780E-04 2136 0.264E-02 0.150E-01
DAV: 46 -0.190889928654E+04 -0.12899E-02 -0.34252E-04 2328 0.394E-02 0.154E-01
DAV: 47 -0.190889929448E+04 -0.79447E-05 -0.17880E-04 1824 0.137E-02 0.160E-01
DAV: 48 -0.190889916501E+04 0.12947E-03 -0.10099E-05 1144 0.522E-03 0.159E-01
DAV: 49 -0.190889981607E+04 -0.65106E-03 -0.38646E-05 1504 0.183E-02 0.163E-01
DAV: 50 -0.190889960162E+04 0.21446E-03 -0.11751E-05 1272 0.645E-03 0.162E-01
DAV: 51 -0.190889985276E+04 -0.25115E-03 -0.82773E-06 1200 0.714E-03 0.164E-01
DAV: 52 -0.190889876037E+04 0.10924E-02 -0.94320E-05 1744 0.309E-02 0.160E-01
DAV: 53 -0.190889849308E+04 0.26729E-03 -0.11402E-04 1792 0.110E-02 0.157E-01
DAV: 54 -0.190889877285E+04 -0.27978E-03 -0.24503E-05 1520 0.849E-03 0.159E-01
DAV: 55 -0.190889874343E+04 0.29427E-04 -0.28161E-06 944 0.175E-03 0.159E-01
DAV: 56 -0.190889889186E+04 -0.14844E-03 -0.38952E-06 1064 0.466E-03 0.159E-01
DAV: 57 -0.190889831525E+04 0.57662E-03 -0.39432E-05 1600 0.162E-02 0.157E-01
DAV: 58 -0.190889897029E+04 -0.65504E-03 -0.26227E-05 1368 0.188E-02 0.157E-01
DAV: 59 -0.190890008691E+04 -0.11166E-02 -0.26482E-04 2240 0.329E-02 0.165E-01
DAV: 60 -0.190889990396E+04 0.18296E-03 -0.10129E-04 1776 0.935E-03 0.166E-01
DAV: 61 -0.190889970026E+04 0.20370E-03 -0.66804E-06 1256 0.572E-03 0.165E-01
DAV: 62 -0.190891238239E+04 -0.12682E-01 -0.26403E-03 2488 0.250E-01 0.324E-01
DAV: 63 -0.190891312200E+04 -0.73962E-03 -0.52388E-03 1808 0.492E-02 0.333E-01
DAV: 64 -0.190891261418E+04 0.50782E-03 -0.97205E-05 1864 0.110E-02 0.329E-01
DAV: 65 -0.190891218445E+04 0.42973E-03 -0.16075E-05 1328 0.732E-03 0.324E-01
DAV: 66 -0.190891085720E+04 0.13273E-02 -0.52256E-05 1704 0.202E-02 0.310E-01
DAV: 67 -0.190890218287E+04 0.86743E-02 -0.34328E-03 2512 0.155E-01 0.219E-01
DAV: 68 -0.190890040819E+04 0.17747E-02 -0.38609E-03 1904 0.651E-02 0.174E-01
DAV: 69 -0.190889733415E+04 0.30740E-02 -0.14769E-03 2528 0.923E-02 0.167E-01
DAV: 70 -0.190889636047E+04 0.97368E-03 -0.16027E-03 1904 0.444E-02 0.163E-01
DAV: 71 -0.190889399445E+04 0.23660E-02 -0.66209E-04 2584 0.624E-02 0.194E-01
DAV: 72 -0.190889285414E+04 0.11403E-02 -0.64270E-04 1896 0.331E-02 0.198E-01
DAV: 73 -0.190889297350E+04 -0.11935E-03 -0.17038E-04 1768 0.129E-02 0.199E-01
DAV: 74 -0.190889318583E+04 -0.21233E-03 -0.39815E-06 1160 0.520E-03 0.198E-01
DAV: 75 -0.190889320734E+04 -0.21517E-04 -0.45318E-06 976 0.196E-03 0.198E-01
DAV: 76 -0.190889329782E+04 -0.90477E-04 -0.12014E-06 976 0.228E-03 0.197E-01
DAV: 77 -0.190889407212E+04 -0.77430E-03 -0.62668E-05 1704 0.195E-02 0.189E-01
DAV: 78 -0.190889441003E+04 -0.33791E-03 -0.75481E-05 1816 0.104E-02 0.187E-01
DAV: 79 -0.190889434808E+04 0.61948E-04 -0.11648E-05 1088 0.370E-03 0.187E-01
DAV: 80 -0.190889566185E+04 -0.13138E-02 -0.15722E-04 2072 0.328E-02 0.171E-01
DAV: 81 -0.190889634401E+04 -0.68216E-03 -0.21276E-04 2080 0.201E-02 0.167E-01
DAV: 82 -0.190889461727E+04 0.17267E-02 -0.37336E-04 2200 0.426E-02 0.188E-01
DAV: 83 -0.190889455805E+04 0.59213E-04 -0.11763E-04 1680 0.665E-03 0.185E-01
DAV: 84 -0.190889374392E+04 0.81413E-03 -0.57550E-05 1696 0.183E-02 0.196E-01
DAV: 85 -0.190889372727E+04 0.16652E-04 -0.35977E-05 1512 0.416E-03 0.195E-01
DAV: 86 -0.190889436292E+04 -0.63565E-03 -0.29445E-05 1456 0.153E-02 0.186E-01
DAV: 87 -0.190889447202E+04 -0.10910E-03 -0.28831E-05 1480 0.426E-03 0.186E-01
DAV: 88 -0.190889551399E+04 -0.10420E-02 -0.10387E-04 1864 0.266E-02 0.171E-01
DAV: 89 -0.190889711485E+04 -0.16009E-02 -0.48964E-04 2432 0.463E-02 0.156E-01
DAV: 90 -0.190889833359E+04 -0.12187E-02 -0.58673E-04 2256 0.400E-02 0.156E-01
DAV: 91 -0.190889958644E+04 -0.12529E-02 -0.33664E-04 2296 0.407E-02 0.161E-01
DAV: 92 -0.190890190811E+04 -0.23217E-02 -0.63557E-04 2408 0.659E-02 0.184E-01
DAV: 93 -0.190890202050E+04 -0.11238E-03 -0.64188E-04 1808 0.221E-02 0.195E-01
DAV: 94 -0.190890226591E+04 -0.24541E-03 -0.10144E-05 1320 0.665E-03 0.198E-01
DAV: 95 -0.190890176001E+04 0.50590E-03 -0.15421E-05 1272 0.121E-02 0.194E-01
DAV: 96 -0.190890171373E+04 0.46288E-04 -0.12123E-05 1176 0.257E-03 0.192E-01
DAV: 97 -0.190890143574E+04 0.27799E-03 -0.61467E-06 1280 0.720E-03 0.190E-01
DAV: 98 -0.190890098116E+04 0.45457E-03 -0.40516E-05 1648 0.119E-02 0.186E-01
DAV: 99 -0.190890049985E+04 0.48132E-03 -0.52901E-05 1832 0.135E-02 0.181E-01
DAV: 100 -0.190889956731E+04 0.93254E-03 -0.10547E-04 1960 0.261E-02 0.177E-01
DAV: 101 -0.190889868149E+04 0.88581E-03 -0.24205E-04 2144 0.279E-02 0.170E-01
DAV: 102 -0.190889917999E+04 -0.49849E-03 -0.12916E-04 1854 0.162E-02 0.163E-01
DAV: 103 -0.190889937929E+04 -0.19930E-03 -0.30801E-05 1584 0.667E-03 0.165E-01
DAV: 104 -0.190889916062E+04 0.21867E-03 -0.97738E-06 1248 0.639E-03 0.165E-01
DAV: 105 -0.190889863864E+04 0.52198E-03 -0.44748E-05 1648 0.151E-02 0.165E-01
DAV: 106 -0.190889891859E+04 -0.27995E-03 -0.13519E-05 1288 0.822E-03 0.163E-01
DAV: 107 -0.190889870801E+04 0.21058E-03 -0.49019E-06 1144 0.693E-03 0.160E-01
DAV: 108 -0.190889565173E+04 0.30563E-02 -0.12007E-03 2536 0.859E-02 0.181E-01
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DAV: 114 -0.190890144466E+04 0.66587E-03 -0.13089E-03 1816 0.343E-02 0.184E-01
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DAV: 160 -0.190891150016E+04 -0.72832E-02 -0.20436E-03 2496 0.126E-01 0.311E-01
DAV: 161 -0.190890690476E+04 0.45954E-02 -0.92987E-04 2248 0.749E-02 0.266E-01
DAV: 162 -0.190890360688E+04 0.32979E-02 -0.99338E-04 2464 0.651E-02 0.223E-01
DAV: 163 -0.190890088299E+04 0.27239E-02 -0.11856E-03 2304 0.663E-02 0.193E-01
DAV: 164 -0.190889937651E+04 0.15065E-02 -0.10392E-03 2240 0.499E-02 0.168E-01
DAV: 165 -0.190889870450E+04 0.67201E-03 -0.32566E-04 1912 0.272E-02 0.160E-01
DAV: 166 -0.190889728939E+04 0.14151E-02 -0.29474E-04 2456 0.414E-02 0.162E-01
DAV: 167 -0.190889750042E+04 -0.21102E-03 -0.14139E-04 1800 0.105E-02 0.155E-01
DAV: 168 -0.190889725458E+04 0.24584E-03 -0.94920E-06 1248 0.760E-03 0.157E-01
DAV: 169 -0.190889722238E+04 0.32200E-04 -0.94058E-06 1088 0.242E-03 0.157E-01
DAV: 170 -0.190889703403E+04 0.18835E-03 -0.34339E-06 1224 0.543E-03 0.158E-01
DAV: 171 -0.190889694238E+04 0.91651E-04 -0.90522E-06 1120 0.335E-03 0.158E-01
DAV: 172 -0.190889807806E+04 -0.11357E-02 -0.15980E-04 2088 0.330E-02 0.151E-01
DAV: 173 -0.190889801364E+04 0.64421E-04 -0.87422E-05 1704 0.682E-03 0.156E-01
DAV: 174 -0.190889828476E+04 -0.27113E-03 -0.90580E-06 1264 0.814E-03 0.155E-01
DAV: 175 -0.190889824674E+04 0.38020E-04 -0.76799E-06 1048 0.242E-03 0.157E-01
DAV: 176 -0.190889817486E+04 0.71888E-04 -0.13439E-06 1024 0.208E-03 0.158E-01
DAV: 177 -0.190889569644E+04 0.24784E-02 -0.71607E-04 2384 0.685E-02 0.182E-01
DAV: 178 -0.190889570067E+04 -0.42300E-05 -0.41724E-04 1808 0.141E-02 0.171E-01
DAV: 179 -0.190889500841E+04 0.69226E-03 -0.50717E-05 1640 0.179E-02 0.181E-01
DAV: 180 -0.190889507509E+04 -0.66682E-04 -0.28782E-05 1464 0.423E-03 0.177E-01
DAV: 181 -0.190889504089E+04 0.34195E-04 -0.19540E-06 968 0.153E-03 0.178E-01
DAV: 182 -0.190889430599E+04 0.73490E-03 -0.48934E-05 1656 0.182E-02 0.189E-01
DAV: 183 -0.190889437772E+04 -0.71734E-04 -0.28258E-05 1488 0.414E-03 0.185E-01
DAV: 184 -0.190889441822E+04 -0.40497E-04 -0.12371E-06 928 0.157E-03 0.185E-01
DAV: 185 -0.190889426397E+04 0.15425E-03 -0.20772E-06 1016 0.365E-03 0.187E-01
DAV: 186 -0.190889426481E+04 -0.84004E-06 -0.11762E-06 920 0.771E-04
611 T= 2968. E= -.17857301E+04 F= -.19088943E+04 E0= -.19088979E+04 EK= 0.12316E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190873198295E+04 0.16228E+00 0.53542E-02 2816 0.677E-01 0.456E-01
DAV: 2 -0.190872060348E+04 0.11379E-01 -0.30005E-02 2496 0.201E-01 0.472E-01
DAV: 3 -0.190872121658E+04 -0.61310E-03 -0.54462E-02 2160 0.150E-01 0.802E-01
DAV: 4 -0.190871300237E+04 0.82142E-02 -0.10616E-02 2352 0.128E-01 0.185E-01
DAV: 5 -0.190870902164E+04 0.39807E-02 -0.35293E-03 2272 0.131E-01 0.148E-01
DAV: 6 -0.190870575392E+04 0.32677E-02 -0.17444E-02 2456 0.227E-01 0.469E-01
DAV: 7 -0.190870912078E+04 -0.33669E-02 -0.40634E-02 2256 0.211E-01 0.190E-01
DAV: 8 -0.190870717254E+04 0.19482E-02 -0.14285E-03 1808 0.535E-02 0.179E-01
DAV: 9 -0.190870557606E+04 0.15965E-02 -0.54929E-04 2048 0.424E-02 0.175E-01
DAV: 10 -0.190870551408E+04 0.61973E-04 -0.46052E-04 1936 0.233E-02 0.194E-01
DAV: 11 -0.190870314566E+04 0.23684E-02 -0.70046E-04 2352 0.701E-02 0.899E-02
DAV: 12 -0.190870300434E+04 0.14132E-03 -0.83345E-04 1968 0.382E-02 0.604E-02
DAV: 13 -0.190870348397E+04 -0.47964E-03 -0.26990E-04 2312 0.255E-02 0.168E-01
DAV: 14 -0.190870343421E+04 0.49765E-04 -0.60920E-05 1704 0.757E-03 0.164E-01
DAV: 15 -0.190870329994E+04 0.13427E-03 -0.35980E-06 1128 0.496E-03 0.142E-01
DAV: 16 -0.190870367902E+04 -0.37907E-03 -0.45818E-05 1704 0.988E-03 0.197E-01
DAV: 17 -0.190870338282E+04 0.29619E-03 -0.11616E-05 1200 0.875E-03 0.153E-01
DAV: 18 -0.190870323464E+04 0.14819E-03 -0.31396E-05 1544 0.702E-03 0.120E-01
DAV: 19 -0.190870326356E+04 -0.28918E-04 -0.95555E-06 1016 0.326E-03 0.124E-01
DAV: 20 -0.190870306294E+04 0.20061E-03 -0.17436E-05 1328 0.754E-03 0.748E-02
DAV: 21 -0.190870298120E+04 0.81739E-04 -0.40102E-05 1584 0.716E-03 0.356E-02
DAV: 22 -0.190870296521E+04 0.15995E-04 -0.14438E-05 1232 0.580E-03 0.192E-02
DAV: 23 -0.190870296696E+04 -0.17464E-05 -0.33594E-06 912 0.201E-03
612 T= 2964. E= -.17857249E+04 F= -.19087030E+04 E0= -.19087057E+04 EK= 0.12298E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190863424335E+04 0.68722E-01 -0.34997E-01 2808 0.588E-01 0.351E+00
DAV: 2 -0.190884619450E+04 -0.21195E+00 -0.14097E+01 2704 0.178E+00 0.334E+00
DAV: 3 -0.190868583598E+04 0.16036E+00 -0.20076E+00 2224 0.948E-01 0.195E+00
DAV: 4 -0.190858525101E+04 0.10058E+00 -0.15097E-01 2168 0.505E-01 0.112E+00
DAV: 5 -0.190856571513E+04 0.19536E-01 -0.14228E-01 1992 0.409E-01 0.177E+00
DAV: 6 -0.190854342392E+04 0.22291E-01 -0.25654E-02 1936 0.195E-01 0.622E-01
DAV: 7 -0.190853740408E+04 0.60198E-02 -0.11344E-02 1960 0.117E-01 0.422E-01
DAV: 8 -0.190853345966E+04 0.39444E-02 -0.57787E-03 2152 0.845E-02 0.399E-01
DAV: 9 -0.190852870250E+04 0.47572E-02 -0.45866E-03 2208 0.857E-02 0.240E-01
DAV: 10 -0.190852583752E+04 0.28650E-02 -0.25407E-03 2112 0.806E-02 0.196E-01
DAV: 11 -0.190852419142E+04 0.16461E-02 -0.12728E-03 1928 0.524E-02 0.181E-01
DAV: 12 -0.190852377796E+04 0.41347E-03 -0.23443E-04 1912 0.183E-02 0.180E-01
DAV: 13 -0.190852363055E+04 0.14740E-03 -0.26891E-05 1520 0.573E-03 0.179E-01
DAV: 14 -0.190852347740E+04 0.15315E-03 -0.36359E-06 1168 0.417E-03 0.179E-01
DAV: 15 -0.190852145858E+04 0.20188E-02 -0.43429E-04 2376 0.463E-02 0.196E-01
DAV: 16 -0.190852075253E+04 0.70604E-03 -0.36311E-04 1880 0.206E-02 0.199E-01
DAV: 17 -0.190851948890E+04 0.12636E-02 -0.12468E-04 1880 0.283E-02 0.209E-01
DAV: 18 -0.190851874320E+04 0.74571E-03 -0.19410E-04 1944 0.189E-02 0.210E-01
DAV: 19 -0.190851823412E+04 0.50908E-03 -0.64248E-05 1984 0.132E-02 0.209E-01
DAV: 20 -0.190851778200E+04 0.45212E-03 -0.13272E-05 1296 0.990E-03 0.210E-01
DAV: 21 -0.190851697185E+04 0.81015E-03 -0.66003E-05 1784 0.176E-02 0.204E-01
DAV: 22 -0.190851650667E+04 0.46518E-03 -0.76078E-05 1872 0.123E-02 0.194E-01
DAV: 23 -0.190851518590E+04 0.13208E-02 -0.16490E-04 1968 0.332E-02 0.145E-01
DAV: 24 -0.190851498164E+04 0.20426E-03 -0.18530E-04 1840 0.124E-02 0.120E-01
DAV: 25 -0.190851453986E+04 0.44178E-03 -0.78632E-05 1680 0.218E-02 0.528E-02
DAV: 26 -0.190851447888E+04 0.60974E-04 -0.12183E-04 1960 0.150E-02 0.162E-02
DAV: 27 -0.190851449248E+04 -0.13594E-04 -0.35693E-05 1640 0.732E-03 0.204E-02
DAV: 28 -0.190851448400E+04 0.84767E-05 -0.17672E-06 1008 0.383E-03
613 T= 2959. E= -.17857248E+04 F= -.19085145E+04 E0= -.19085171E+04 EK= 0.12279E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190833195193E+04 0.18254E+00 -0.18003E-04 1216 0.505E-01 0.207E-01
DAV: 2 -0.190832719170E+04 0.47602E-02 -0.51968E-03 2592 0.973E-02 0.247E-01
DAV: 3 -0.190832627288E+04 0.91882E-03 -0.43511E-03 1944 0.481E-02 0.177E-01
DAV: 4 -0.190832668350E+04 -0.41063E-03 -0.41323E-03 2480 0.789E-02 0.362E-01
DAV: 5 -0.190832930512E+04 -0.26216E-02 -0.68544E-03 2456 0.136E-01 0.209E-01
DAV: 6 -0.190832914874E+04 0.15638E-03 -0.16301E-03 1800 0.273E-02 0.219E-01
DAV: 7 -0.190832653473E+04 0.26140E-02 -0.47165E-04 2280 0.530E-02 0.176E-01
DAV: 8 -0.190832593954E+04 0.59519E-03 -0.49427E-04 1880 0.233E-02 0.136E-01
DAV: 9 -0.190832566374E+04 0.27580E-03 -0.10038E-04 2080 0.138E-02 0.113E-01
DAV: 10 -0.190832516260E+04 0.50114E-03 -0.12506E-04 1968 0.260E-02 0.261E-02
DAV: 11 -0.190832514385E+04 0.18750E-04 -0.70206E-05 1856 0.107E-02 0.279E-02
DAV: 12 -0.190832514841E+04 -0.45613E-05 -0.24794E-05 1408 0.132E-02
614 T= 2955. E= -.17857247E+04 F= -.19083251E+04 E0= -.19083269E+04 EK= 0.12260E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190813777158E+04 0.18737E+00 -0.25194E-04 1280 0.466E-01 0.321E-01
DAV: 2 -0.190814198586E+04 -0.42143E-02 -0.94925E-03 2776 0.156E-01 0.514E-01
DAV: 3 -0.190813958349E+04 0.24024E-02 -0.41542E-02 2512 0.992E-02 0.517E-01
DAV: 4 -0.190813648474E+04 0.30987E-02 -0.16418E-02 2640 0.679E-02 0.183E-01
DAV: 5 -0.190813604440E+04 0.44035E-03 -0.10713E-03 2136 0.429E-02 0.410E-02
DAV: 6 -0.190813609403E+04 -0.49635E-04 -0.29142E-04 1848 0.167E-02 0.442E-02
DAV: 7 -0.190813608751E+04 0.65192E-05 -0.16067E-05 1232 0.498E-03
615 T= 2950. E= -.17857246E+04 F= -.19081361E+04 E0= -.19081374E+04 EK= 0.12241E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190794833494E+04 0.18776E+00 -0.37096E-05 1374 0.463E-01 0.617E-02
DAV: 2 -0.190794855487E+04 -0.21993E-03 -0.11733E-03 1992 0.342E-02 0.150E-01
DAV: 3 -0.190794833518E+04 0.21969E-03 -0.11367E-03 2222 0.214E-02 0.820E-02
DAV: 4 -0.190794831554E+04 0.19639E-04 -0.14477E-04 1640 0.103E-02 0.237E-02
DAV: 5 -0.190794831845E+04 -0.29055E-05 -0.12438E-05 1056 0.436E-03
616 T= 2946. E= -.17857246E+04 F= -.19079483E+04 E0= -.19079497E+04 EK= 0.12222E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190776267306E+04 0.18564E+00 -0.32486E-05 1270 0.462E-01 0.821E-02
DAV: 2 -0.190776284169E+04 -0.16863E-03 -0.16488E-03 1824 0.465E-02 0.103E-01
DAV: 3 -0.190776270700E+04 0.13469E-03 -0.23468E-04 2048 0.225E-02 0.469E-02
DAV: 4 -0.190776272487E+04 -0.17874E-04 -0.34360E-04 1888 0.148E-02 0.697E-02
DAV: 5 -0.190776268952E+04 0.35354E-04 -0.18643E-04 1592 0.946E-03 0.238E-02
DAV: 6 -0.190776269601E+04 -0.64936E-05 -0.15193E-05 1032 0.505E-03
617 T= 2941. E= -.17857245E+04 F= -.19077627E+04 E0= -.19077637E+04 EK= 0.12204E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190757981179E+04 0.18288E+00 -0.40193E-05 1102 0.460E-01 0.460E-02
DAV: 2 -0.190757989909E+04 -0.87299E-04 -0.66604E-04 1856 0.284E-02 0.725E-02
DAV: 3 -0.190757983027E+04 0.68823E-04 -0.26730E-04 1912 0.156E-02 0.390E-02
DAV: 4 -0.190757982882E+04 0.14459E-05 -0.92839E-05 1608 0.823E-03
618 T= 2937. E= -.17857245E+04 F= -.19075798E+04 E0= -.19075802E+04 EK= 0.12186E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190740011018E+04 0.17972E+00 -0.54272E-06 942 0.460E-01 0.516E-02
DAV: 2 -0.190740027549E+04 -0.16531E-03 -0.47430E-04 1992 0.333E-02 0.116E-01
DAV: 3 -0.190740012828E+04 0.14721E-03 -0.24667E-04 2040 0.213E-02 0.556E-02
DAV: 4 -0.190740012403E+04 0.42536E-05 -0.14413E-04 1600 0.819E-03 0.209E-02
DAV: 5 -0.190740012344E+04 0.58574E-06 -0.40387E-05 1440 0.739E-03
619 T= 2932. E= -.17857245E+04 F= -.19074001E+04 E0= -.19074003E+04 EK= 0.12168E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190722379985E+04 0.17632E+00 -0.37517E-05 1222 0.459E-01 0.471E-02
DAV: 2 -0.190722396055E+04 -0.16070E-03 -0.48270E-04 2000 0.303E-02 0.121E-01
DAV: 3 -0.190722381548E+04 0.14507E-03 -0.29512E-04 2072 0.185E-02 0.477E-02
DAV: 4 -0.190722382425E+04 -0.87704E-05 -0.94768E-05 1512 0.826E-03
620 T= 2928. E= -.17857244E+04 F= -.19072238E+04 E0= -.19072236E+04 EK= 0.12150E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190705094604E+04 0.17287E+00 -0.59483E-05 1440 0.460E-01 0.303E-02
DAV: 2 -0.190705108355E+04 -0.13750E-03 -0.12161E-03 1904 0.342E-02 0.723E-02
DAV: 3 -0.190705101203E+04 0.71515E-04 -0.20985E-04 1880 0.146E-02 0.394E-02
DAV: 4 -0.190705101490E+04 -0.28716E-05 -0.15483E-05 1120 0.424E-03
621 T= 2924. E= -.17857244E+04 F= -.19070510E+04 E0= -.19070504E+04 EK= 0.12133E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190688161714E+04 0.16939E+00 -0.79040E-05 1830 0.458E-01 0.110E-01
DAV: 2 -0.190688169920E+04 -0.82066E-04 -0.32252E-03 1856 0.720E-02 0.889E-02
DAV: 3 -0.190688164797E+04 0.51228E-04 -0.50599E-04 2104 0.358E-02 0.731E-02
DAV: 4 -0.190688159916E+04 0.48812E-04 -0.19610E-04 1936 0.167E-02 0.495E-02
DAV: 5 -0.190688158617E+04 0.12991E-04 -0.11905E-04 1544 0.811E-03 0.174E-02
DAV: 6 -0.190688158706E+04 -0.88906E-06 -0.20337E-05 1016 0.550E-03
622 T= 2920. E= -.17857244E+04 F= -.19068816E+04 E0= -.19068808E+04 EK= 0.12116E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190671549532E+04 0.16609E+00 -0.22805E-05 1100 0.457E-01 0.103E-01
DAV: 2 -0.190671548758E+04 0.77405E-05 -0.21258E-03 1880 0.605E-02 0.841E-02
DAV: 3 -0.190671556244E+04 -0.74865E-04 -0.61493E-04 2144 0.328E-02 0.134E-01
DAV: 4 -0.190671542054E+04 0.14190E-03 -0.53586E-04 2120 0.176E-02 0.481E-02
DAV: 5 -0.190671542730E+04 -0.67621E-05 -0.11044E-04 1520 0.910E-03 0.146E-02
DAV: 6 -0.190671542810E+04 -0.79902E-06 -0.18619E-05 1032 0.528E-03
623 T= 2916. E= -.17857244E+04 F= -.19067154E+04 E0= -.19067143E+04 EK= 0.12099E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190655221163E+04 0.16322E+00 -0.96365E-05 1916 0.457E-01 0.284E-02
DAV: 2 -0.190655226416E+04 -0.52523E-04 -0.66386E-04 1944 0.251E-02 0.301E-02
DAV: 3 -0.190655226182E+04 0.23419E-05 -0.41032E-05 1512 0.103E-02
624 T= 2912. E= -.17857244E+04 F= -.19065523E+04 E0= -.19065505E+04 EK= 0.12083E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190639167266E+04 0.16059E+00 -0.24530E-04 2340 0.457E-01 0.412E-02
DAV: 2 -0.190639190066E+04 -0.22800E-03 -0.13718E-03 1992 0.331E-02 0.147E-01
DAV: 3 -0.190639171151E+04 0.18916E-03 -0.40169E-04 2056 0.170E-02 0.349E-02
DAV: 4 -0.190639174305E+04 -0.31547E-04 -0.31185E-05 1392 0.766E-03 0.155E-02
DAV: 5 -0.190639174141E+04 0.16389E-05 -0.12003E-05 1056 0.464E-03
625 T= 2908. E= -.17857245E+04 F= -.19063917E+04 E0= -.19063901E+04 EK= 0.12067E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190623343115E+04 0.15831E+00 -0.14359E-04 2284 0.456E-01 0.505E-02
DAV: 2 -0.190623378390E+04 -0.35276E-03 -0.35673E-03 1928 0.444E-02 0.181E-01
DAV: 3 -0.190623348466E+04 0.29925E-03 -0.18367E-03 2128 0.224E-02 0.495E-02
DAV: 4 -0.190623352476E+04 -0.40105E-04 -0.61655E-05 1728 0.100E-02 0.223E-02
DAV: 5 -0.190623352324E+04 0.15163E-05 -0.11106E-05 1040 0.401E-03
626 T= 2904. E= -.17857245E+04 F= -.19062335E+04 E0= -.19062315E+04 EK= 0.12051E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190607714005E+04 0.15638E+00 -0.16783E-04 2580 0.456E-01 0.598E-02
DAV: 2 -0.190607735858E+04 -0.21853E-03 -0.25585E-03 1904 0.518E-02 0.115E-01
DAV: 3 -0.190607728127E+04 0.77312E-04 -0.74284E-04 2208 0.236E-02 0.928E-02
DAV: 4 -0.190607722658E+04 0.54689E-04 -0.19223E-04 1952 0.133E-02 0.245E-02
DAV: 5 -0.190607723208E+04 -0.54930E-05 -0.19714E-05 1176 0.538E-03
627 T= 2901. E= -.17857245E+04 F= -.19060772E+04 E0= -.19060749E+04 EK= 0.12035E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190592239574E+04 0.15483E+00 -0.41159E-04 2868 0.455E-01 0.685E-02
DAV: 2 -0.190592256878E+04 -0.17304E-03 -0.29799E-03 1880 0.578E-02 0.607E-02
DAV: 3 -0.190592253620E+04 0.32580E-04 -0.28600E-04 2096 0.230E-02 0.576E-02
DAV: 4 -0.190592251221E+04 0.23987E-04 -0.11001E-04 1808 0.979E-03 0.245E-02
DAV: 5 -0.190592251173E+04 0.48436E-06 -0.11214E-05 1024 0.403E-03
628 T= 2897. E= -.17857245E+04 F= -.19059225E+04 E0= -.19059199E+04 EK= 0.12020E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190576890404E+04 0.15361E+00 -0.46026E-04 2884 0.454E-01 0.670E-02
DAV: 2 -0.190576907795E+04 -0.17392E-03 -0.31163E-03 1872 0.583E-02 0.540E-02
DAV: 3 -0.190576903642E+04 0.41531E-04 -0.18250E-04 2128 0.211E-02 0.326E-02
DAV: 4 -0.190576903223E+04 0.41906E-05 -0.46266E-05 1592 0.763E-03
629 T= 2893. E= -.17857245E+04 F= -.19057690E+04 E0= -.19057662E+04 EK= 0.12004E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190561642923E+04 0.15261E+00 -0.31664E-04 2702 0.453E-01 0.852E-02
DAV: 2 -0.190561656536E+04 -0.13613E-03 -0.32075E-03 1872 0.637E-02 0.943E-02
DAV: 3 -0.190561660963E+04 -0.44267E-04 -0.10243E-03 2192 0.298E-02 0.142E-01
DAV: 4 -0.190561645402E+04 0.15561E-03 -0.29591E-04 2080 0.166E-02 0.269E-02
DAV: 5 -0.190561648008E+04 -0.26060E-04 -0.31211E-05 1512 0.676E-03 0.131E-02
DAV: 6 -0.190561647764E+04 0.24414E-05 -0.95759E-06 960 0.471E-03
630 T= 2889. E= -.17857245E+04 F= -.19056165E+04 E0= -.19056133E+04 EK= 0.11989E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190546453085E+04 0.15195E+00 -0.14779E-04 2382 0.452E-01 0.615E-02
DAV: 2 -0.190546466321E+04 -0.13236E-03 -0.20253E-03 1896 0.491E-02 0.839E-02
DAV: 3 -0.190546466136E+04 0.18512E-05 -0.59829E-04 2176 0.229E-02 0.101E-01
DAV: 4 -0.190546458457E+04 0.76795E-04 -0.23739E-04 1976 0.129E-02 0.200E-02
DAV: 5 -0.190546459611E+04 -0.11537E-04 -0.18543E-05 1136 0.515E-03 0.112E-02
DAV: 6 -0.190546459497E+04 0.11349E-05 -0.79075E-06 960 0.421E-03
631 T= 2886. E= -.17857245E+04 F= -.19054646E+04 E0= -.19054612E+04 EK= 0.11974E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190531312098E+04 0.15148E+00 -0.10289E-04 2228 0.452E-01 0.289E-02
DAV: 2 -0.190531321930E+04 -0.98314E-04 -0.11599E-03 1904 0.331E-02 0.410E-02
DAV: 3 -0.190531319809E+04 0.21203E-04 -0.56561E-05 1742 0.124E-02 0.260E-02
DAV: 4 -0.190531319499E+04 0.31005E-05 -0.19619E-05 1160 0.524E-03
632 T= 2882. E= -.17857245E+04 F= -.19053132E+04 E0= -.19053095E+04 EK= 0.11959E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190516209671E+04 0.15110E+00 -0.39958E-05 1272 0.451E-01 0.625E-02
DAV: 2 -0.190516222988E+04 -0.13317E-03 -0.20926E-03 1888 0.471E-02 0.114E-01
DAV: 3 -0.190516217126E+04 0.58621E-04 -0.96448E-04 2152 0.225E-02 0.964E-02