N E dE d eps ncg rms rms(c)
DAV: 1 0.968678992936E+04 0.96868E+04 -0.60432E+05 1700 0.121E+03
DAV: 2 -0.818214276875E+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 -0.180184830846E+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 -0.179813768839E+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 -0.179813536032E+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 -0.14802E-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 0.36657E-05 -0.36125E-04 1968 0.203E-02 0.444E-02
DAV: 23 -0.179813344766E+04 0.57332E-05 -0.95062E-05 1832 0.106E-02
1 T= 298. E= -.17857685E+04 F= -.17981334E+04 E0= -.17981093E+04 EK= 0.12365E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179813397090E+04 -0.51751E-03 -0.55313E-03 1704 0.952E-02 0.412E-02
DAV: 2 -0.179813402371E+04 -0.52813E-04 -0.36941E-04 2072 0.206E-02 0.801E-02
DAV: 3 -0.179813398054E+04 0.43178E-04 -0.15781E-04 1592 0.118E-02 0.450E-02
DAV: 4 -0.179813397741E+04 0.31260E-05 -0.34861E-05 1192 0.572E-03
2 T= 298. E= -.17857685E+04 F= -.17981340E+04 E0= -.17981100E+04 EK= 0.12365E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179813487517E+04 -0.89463E-03 -0.55250E-05 1400 0.188E-02 0.275E-02
DAV: 2 -0.179813490692E+04 -0.31752E-04 -0.17048E-04 1648 0.119E-02 0.729E-02
DAV: 3 -0.179813487309E+04 0.33836E-04 -0.91379E-05 1352 0.839E-03 0.207E-02
DAV: 4 -0.179813487377E+04 -0.67927E-06 -0.81877E-06 952 0.293E-03
3 T= 298. E= -.17857685E+04 F= -.17981349E+04 E0= -.17981108E+04 EK= 0.12366E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179813614408E+04 -0.12710E-02 -0.10853E-04 1920 0.201E-02 0.392E-02
DAV: 2 -0.179813617659E+04 -0.32512E-04 -0.25158E-04 1864 0.129E-02 0.108E-01
DAV: 3 -0.179813614085E+04 0.35742E-04 -0.13441E-04 1336 0.828E-03 0.106E-02
DAV: 4 -0.179813614198E+04 -0.11371E-05 -0.12284E-05 1000 0.352E-03
4 T= 298. E= -.17857685E+04 F= -.17981361E+04 E0= -.17981121E+04 EK= 0.12368E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179813777662E+04 -0.16358E-02 -0.46278E-05 1624 0.194E-02 0.240E-02
DAV: 2 -0.179813781300E+04 -0.36384E-04 -0.10280E-04 1608 0.112E-02 0.812E-02
DAV: 3 -0.179813777558E+04 0.37418E-04 -0.56777E-05 1312 0.789E-03 0.199E-02
DAV: 4 -0.179813777640E+04 -0.82010E-06 -0.12837E-05 968 0.297E-03
5 T= 298. E= -.17857685E+04 F= -.17981378E+04 E0= -.17981139E+04 EK= 0.12369E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179813978336E+04 -0.20078E-02 -0.49497E-05 1624 0.202E-02 0.372E-02
DAV: 2 -0.179813989498E+04 -0.11162E-03 -0.33975E-04 1912 0.173E-02 0.155E-01
DAV: 3 -0.179813977517E+04 0.11981E-03 -0.17749E-04 1488 0.128E-02 0.230E-02
DAV: 4 -0.179813977892E+04 -0.37478E-05 -0.18317E-05 1176 0.385E-03
6 T= 298. E= -.17857685E+04 F= -.17981398E+04 E0= -.17981159E+04 EK= 0.12371E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179814214994E+04 -0.23748E-02 -0.53225E-05 1662 0.195E-02 0.279E-02
DAV: 2 -0.179814217214E+04 -0.22198E-04 -0.18853E-04 1792 0.121E-02 0.779E-02
DAV: 3 -0.179814214918E+04 0.22967E-04 -0.94963E-05 1230 0.766E-03 0.137E-02
DAV: 4 -0.179814214988E+04 -0.70196E-06 -0.98597E-06 1000 0.296E-03
7 T= 298. E= -.17857685E+04 F= -.17981421E+04 E0= -.17981184E+04 EK= 0.12374E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179814488633E+04 -0.27372E-02 -0.58756E-05 1740 0.192E-02 0.215E-02
DAV: 2 -0.179814492408E+04 -0.37747E-04 -0.11213E-04 1848 0.116E-02 0.771E-02
DAV: 3 -0.179814488580E+04 0.38285E-04 -0.45271E-05 1312 0.718E-03 0.201E-02
DAV: 4 -0.179814488644E+04 -0.64225E-06 -0.12251E-05 968 0.292E-03
8 T= 298. E= -.17857685E+04 F= -.17981449E+04 E0= -.17981212E+04 EK= 0.12376E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179814799319E+04 -0.31074E-02 -0.48592E-05 1694 0.192E-02 0.422E-02
DAV: 2 -0.179814812702E+04 -0.13384E-03 -0.32606E-04 2008 0.172E-02 0.176E-01
DAV: 3 -0.179814798499E+04 0.14203E-03 -0.24326E-04 1502 0.140E-02 0.208E-02
DAV: 4 -0.179814799111E+04 -0.61216E-05 -0.14866E-05 1232 0.333E-03
9 T= 298. E= -.17857685E+04 F= -.17981480E+04 E0= -.17981243E+04 EK= 0.12379E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179815146189E+04 -0.34769E-02 -0.67185E-05 1806 0.200E-02 0.157E-02
DAV: 2 -0.179815147388E+04 -0.11991E-04 -0.10975E-04 1840 0.102E-02 0.455E-02
DAV: 3 -0.179815146397E+04 0.99089E-05 -0.32503E-05 1096 0.508E-03
10 T= 298. E= -.17857685E+04 F= -.17981515E+04 E0= -.17981278E+04 EK= 0.12383E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179815530665E+04 -0.38328E-02 -0.60029E-05 1678 0.195E-02 0.268E-02
DAV: 2 -0.179815534581E+04 -0.39163E-04 -0.20351E-04 2024 0.142E-02 0.776E-02
DAV: 3 -0.179815530515E+04 0.40662E-04 -0.84683E-05 1400 0.878E-03 0.236E-02
DAV: 4 -0.179815530586E+04 -0.71191E-06 -0.15197E-05 936 0.380E-03
11 T= 299. E= -.17857685E+04 F= -.17981553E+04 E0= -.17981316E+04 EK= 0.12387E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179815951651E+04 -0.42114E-02 -0.97836E-05 1846 0.199E-02 0.456E-02
DAV: 2 -0.179815968751E+04 -0.17100E-03 -0.38519E-04 2264 0.205E-02 0.196E-01
DAV: 3 -0.179815950409E+04 0.18342E-03 -0.23747E-04 1696 0.158E-02 0.223E-02
DAV: 4 -0.179815951194E+04 -0.78524E-05 -0.21246E-05 1304 0.407E-03
12 T= 299. E= -.17857685E+04 F= -.17981595E+04 E0= -.17981359E+04 EK= 0.12391E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179816408383E+04 -0.45797E-02 -0.11599E-04 1942 0.212E-02 0.178E-02
DAV: 2 -0.179816409596E+04 -0.12126E-04 -0.90061E-05 1848 0.103E-02 0.399E-02
DAV: 3 -0.179816408780E+04 0.81565E-05 -0.23841E-05 1168 0.520E-03
13 T= 299. E= -.17857685E+04 F= -.17981641E+04 E0= -.17981406E+04 EK= 0.12396E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179816903688E+04 -0.49409E-02 -0.88849E-05 1902 0.204E-02 0.340E-02
DAV: 2 -0.179816909698E+04 -0.60105E-04 -0.21022E-04 1960 0.165E-02 0.993E-02
DAV: 3 -0.179816903248E+04 0.64500E-04 -0.13286E-04 1592 0.112E-02 0.373E-02
DAV: 4 -0.179816903266E+04 -0.18266E-06 -0.19878E-05 1096 0.381E-03
14 T= 299. E= -.17857685E+04 F= -.17981690E+04 E0= -.17981456E+04 EK= 0.12401E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179817434316E+04 -0.53107E-02 -0.76179E-05 1692 0.194E-02 0.336E-02
DAV: 2 -0.179817437116E+04 -0.28003E-04 -0.26668E-04 1960 0.142E-02 0.111E-01
DAV: 3 -0.179817434126E+04 0.29905E-04 -0.12112E-04 1304 0.820E-03 0.140E-02
DAV: 4 -0.179817434213E+04 -0.86626E-06 -0.90144E-06 984 0.344E-03
15 T= 299. E= -.17857685E+04 F= -.17981743E+04 E0= -.17981510E+04 EK= 0.12406E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179818001756E+04 -0.56763E-02 -0.71714E-05 1758 0.199E-02 0.353E-02
DAV: 2 -0.179818004856E+04 -0.31005E-04 -0.25880E-04 1960 0.137E-02 0.110E-01
DAV: 3 -0.179818001957E+04 0.28992E-04 -0.12649E-04 1296 0.842E-03 0.175E-02
DAV: 4 -0.179818001983E+04 -0.26305E-06 -0.97790E-06 976 0.356E-03
16 T= 299. E= -.17857685E+04 F= -.17981800E+04 E0= -.17981567E+04 EK= 0.12412E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179818606625E+04 -0.60467E-02 -0.99208E-05 1846 0.208E-02 0.217E-02
DAV: 2 -0.179818609420E+04 -0.27954E-04 -0.10997E-04 1896 0.127E-02 0.687E-02
DAV: 3 -0.179818606662E+04 0.27577E-04 -0.51331E-05 1320 0.747E-03 0.204E-02
DAV: 4 -0.179818606705E+04 -0.42925E-06 -0.90150E-06 968 0.286E-03
17 T= 299. E= -.17857685E+04 F= -.17981861E+04 E0= -.17981628E+04 EK= 0.12418E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179819247904E+04 -0.64124E-02 -0.69343E-05 1782 0.202E-02 0.153E-02
DAV: 2 -0.179819248483E+04 -0.57858E-05 -0.87447E-05 1832 0.102E-02
18 T= 299. E= -.17857685E+04 F= -.17981925E+04 E0= -.17981693E+04 EK= 0.12424E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179819926621E+04 -0.67872E-02 -0.56390E-05 1804 0.208E-02 0.355E-02
DAV: 2 -0.179819929245E+04 -0.26242E-04 -0.20522E-04 2176 0.162E-02 0.110E-01
DAV: 3 -0.179819926102E+04 0.31432E-04 -0.11471E-04 1376 0.942E-03 0.208E-02
DAV: 4 -0.179819926004E+04 0.98298E-06 -0.10968E-05 976 0.462E-03
19 T= 300. E= -.17857685E+04 F= -.17981993E+04 E0= -.17981761E+04 EK= 0.12431E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179820641164E+04 -0.71506E-02 -0.72892E-05 1840 0.221E-02 0.306E-02
DAV: 2 -0.179820641570E+04 -0.40657E-05 -0.14680E-04 2152 0.146E-02 0.574E-02
DAV: 3 -0.179820641052E+04 0.51788E-05 -0.73606E-05 1248 0.723E-03
20 T= 300. E= -.17857685E+04 F= -.17982064E+04 E0= -.17981832E+04 EK= 0.12438E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179821393869E+04 -0.75230E-02 -0.15222E-04 2046 0.240E-02 0.424E-02
DAV: 2 -0.179821404318E+04 -0.10449E-03 -0.36725E-04 2128 0.196E-02 0.128E-01
DAV: 3 -0.179821392724E+04 0.11593E-03 -0.22451E-04 1760 0.142E-02 0.474E-02
DAV: 4 -0.179821392759E+04 -0.34070E-06 -0.27338E-05 1168 0.456E-03
21 T= 300. E= -.17857685E+04 F= -.17982139E+04 E0= -.17981909E+04 EK= 0.12445E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179822181290E+04 -0.78857E-02 -0.16048E-04 1880 0.224E-02 0.452E-02
DAV: 2 -0.179822186610E+04 -0.53209E-04 -0.36531E-04 1984 0.166E-02 0.114E-01
DAV: 3 -0.179822180814E+04 0.57966E-04 -0.21749E-04 1432 0.115E-02 0.162E-02
DAV: 4 -0.179822180916E+04 -0.10213E-05 -0.10357E-05 1024 0.363E-03
22 T= 300. E= -.17857685E+04 F= -.17982218E+04 E0= -.17981989E+04 EK= 0.12453E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179823006158E+04 -0.82534E-02 -0.12084E-04 1942 0.212E-02 0.370E-02
DAV: 2 -0.179823016606E+04 -0.10448E-03 -0.23753E-04 1912 0.169E-02 0.160E-01
DAV: 3 -0.179823005269E+04 0.11337E-03 -0.15669E-04 1520 0.125E-02 0.137E-02
DAV: 4 -0.179823005764E+04 -0.49524E-05 -0.13261E-05 1176 0.352E-03
23 T= 300. E= -.17857685E+04 F= -.17982301E+04 E0= -.17982072E+04 EK= 0.12462E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179823868159E+04 -0.86289E-02 -0.68765E-05 1822 0.216E-02 0.278E-02
DAV: 2 -0.179823870302E+04 -0.21430E-04 -0.15063E-04 1840 0.117E-02 0.638E-02
DAV: 3 -0.179823867855E+04 0.24478E-04 -0.78981E-05 1296 0.785E-03 0.187E-02
DAV: 4 -0.179823867778E+04 0.76940E-06 -0.98725E-06 952 0.330E-03
24 T= 301. E= -.17857685E+04 F= -.17982387E+04 E0= -.17982157E+04 EK= 0.12470E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179824766658E+04 -0.89880E-02 -0.46249E-05 1744 0.216E-02 0.190E-02
DAV: 2 -0.179824766741E+04 -0.82277E-06 -0.68825E-05 1768 0.899E-03
25 T= 301. E= -.17857685E+04 F= -.17982477E+04 E0= -.17982248E+04 EK= 0.12479E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179825702737E+04 -0.93608E-02 -0.77130E-05 1720 0.220E-02 0.334E-02
DAV: 2 -0.179825708904E+04 -0.61665E-04 -0.26421E-04 1984 0.177E-02 0.158E-01
DAV: 3 -0.179825701671E+04 0.72326E-04 -0.12014E-04 1560 0.104E-02 0.306E-02
DAV: 4 -0.179825701788E+04 -0.11717E-05 -0.12683E-05 1064 0.477E-03
26 T= 301. E= -.17857685E+04 F= -.17982570E+04 E0= -.17982342E+04 EK= 0.12489E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179826675201E+04 -0.97353E-02 -0.13201E-04 1902 0.226E-02 0.962E-02
DAV: 2 -0.179826705859E+04 -0.30658E-03 -0.15781E-03 2352 0.296E-02 0.365E-01
DAV: 3 -0.179826673086E+04 0.32773E-03 -0.10823E-03 2160 0.241E-02 0.391E-02
DAV: 4 -0.179826673179E+04 -0.92796E-06 -0.39987E-05 1336 0.617E-03
27 T= 301. E= -.17857685E+04 F= -.17982667E+04 E0= -.17982440E+04 EK= 0.12498E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179827682582E+04 -0.10095E-01 -0.17070E-04 1966 0.273E-02 0.381E-02
DAV: 2 -0.179827685704E+04 -0.31221E-04 -0.28495E-04 2008 0.142E-02 0.116E-01
DAV: 3 -0.179827682368E+04 0.33356E-04 -0.13989E-04 1296 0.904E-03 0.260E-02
DAV: 4 -0.179827682146E+04 0.22220E-05 -0.10284E-05 1008 0.376E-03
28 T= 301. E= -.17857685E+04 F= -.17982768E+04 E0= -.17982542E+04 EK= 0.12508E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179828729943E+04 -0.10476E-01 -0.18214E-04 2046 0.266E-02 0.794E-02
DAV: 2 -0.179828758820E+04 -0.28877E-03 -0.79483E-04 2208 0.271E-02 0.297E-01
DAV: 3 -0.179828727165E+04 0.31654E-03 -0.60302E-04 1864 0.229E-02 0.399E-02
DAV: 4 -0.179828727505E+04 -0.34021E-05 -0.30089E-05 1400 0.671E-03
29 T= 302. E= -.17857685E+04 F= -.17982873E+04 E0= -.17982648E+04 EK= 0.12519E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179829809275E+04 -0.10821E-01 -0.96033E-05 1934 0.221E-02 0.354E-02
DAV: 2 -0.179829812016E+04 -0.27415E-04 -0.14991E-04 1904 0.117E-02 0.101E-01
DAV: 3 -0.179829809050E+04 0.29662E-04 -0.10747E-04 1328 0.891E-03 0.327E-02
DAV: 4 -0.179829808696E+04 0.35387E-05 -0.10372E-05 1048 0.423E-03
30 T= 302. E= -.17857685E+04 F= -.17982981E+04 E0= -.17982757E+04 EK= 0.12530E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179830929522E+04 -0.11205E-01 -0.11153E-04 2054 0.270E-02 0.535E-02
DAV: 2 -0.179830950968E+04 -0.21445E-03 -0.57979E-04 2072 0.231E-02 0.239E-01
DAV: 3 -0.179830926724E+04 0.24244E-03 -0.42014E-04 1902 0.174E-02 0.187E-02
DAV: 4 -0.179830927543E+04 -0.81895E-05 -0.23123E-05 1344 0.479E-03
31 T= 302. E= -.17857685E+04 F= -.17983093E+04 E0= -.17982867E+04 EK= 0.12541E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179832085799E+04 -0.11591E-01 -0.12405E-04 1894 0.265E-02 0.417E-02
DAV: 2 -0.179832099617E+04 -0.13818E-03 -0.38807E-04 2072 0.199E-02 0.160E-01
DAV: 3 -0.179832083197E+04 0.16419E-03 -0.20378E-04 1728 0.146E-02 0.372E-02
DAV: 4 -0.179832083425E+04 -0.22784E-05 -0.36317E-05 1280 0.513E-03
32 T= 303. E= -.17857685E+04 F= -.17983208E+04 E0= -.17982983E+04 EK= 0.12552E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179833275448E+04 -0.11923E-01 -0.15138E-04 1968 0.247E-02 0.273E-02
DAV: 2 -0.179833277196E+04 -0.17477E-04 -0.17586E-04 1936 0.129E-02 0.705E-02
DAV: 3 -0.179833274437E+04 0.27588E-04 -0.81896E-05 1336 0.805E-03 0.171E-02
DAV: 4 -0.179833274381E+04 0.55839E-06 -0.10234E-05 1008 0.362E-03
33 T= 303. E= -.17857685E+04 F= -.17983327E+04 E0= -.17983102E+04 EK= 0.12564E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179834503720E+04 -0.12293E-01 -0.13846E-04 2136 0.277E-02 0.194E-02
DAV: 2 -0.179834503158E+04 0.56170E-05 -0.71609E-05 1808 0.110E-02
34 T= 303. E= -.17857685E+04 F= -.17983450E+04 E0= -.17983227E+04 EK= 0.12577E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179835773886E+04 -0.12702E-01 -0.17147E-04 1944 0.332E-02 0.726E-02
DAV: 2 -0.179835813934E+04 -0.40048E-03 -0.12267E-03 2312 0.312E-02 0.340E-01
DAV: 3 -0.179835768075E+04 0.45860E-03 -0.86143E-04 2080 0.236E-02 0.219E-02
DAV: 4 -0.179835768947E+04 -0.87191E-05 -0.45030E-05 1608 0.778E-03
35 T= 303. E= -.17857685E+04 F= -.17983577E+04 E0= -.17983356E+04 EK= 0.12589E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179837075564E+04 -0.13075E-01 -0.37407E-04 1928 0.314E-02 0.998E-02
DAV: 2 -0.179837166990E+04 -0.91426E-03 -0.17767E-03 2520 0.425E-02 0.468E-01
DAV: 3 -0.179837065185E+04 0.10181E-02 -0.10735E-03 2440 0.343E-02 0.336E-02
DAV: 4 -0.179837069240E+04 -0.40548E-04 -0.86572E-05 1696 0.781E-03 0.246E-02
DAV: 5 -0.179837068817E+04 0.42220E-05 -0.12009E-05 1112 0.534E-03
36 T= 304. E= -.17857685E+04 F= -.17983707E+04 E0= -.17983487E+04 EK= 0.12602E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179838410145E+04 -0.13409E-01 -0.17930E-04 1966 0.313E-02 0.543E-02
DAV: 2 -0.179838431795E+04 -0.21650E-03 -0.66266E-04 2192 0.241E-02 0.230E-01
DAV: 3 -0.179838406771E+04 0.25024E-03 -0.41730E-04 1952 0.179E-02 0.284E-02
DAV: 4 -0.179838407363E+04 -0.59242E-05 -0.41075E-05 1496 0.632E-03
37 T= 304. E= -.17857685E+04 F= -.17983841E+04 E0= -.17983619E+04 EK= 0.12616E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179839787163E+04 -0.13804E-01 -0.19721E-04 2102 0.307E-02 0.324E-02
DAV: 2 -0.179839787048E+04 0.11547E-05 -0.21509E-04 1944 0.141E-02 0.735E-02
DAV: 3 -0.179839784251E+04 0.27965E-04 -0.87948E-05 1344 0.806E-03 0.182E-02
DAV: 4 -0.179839783527E+04 0.72424E-05 -0.21722E-05 1184 0.681E-03
38 T= 304. E= -.17857685E+04 F= -.17983978E+04 E0= -.17983756E+04 EK= 0.12629E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179841194377E+04 -0.14101E-01 -0.17998E-04 2174 0.268E-02 0.319E-02
DAV: 2 -0.179841195400E+04 -0.10227E-04 -0.16691E-04 1920 0.137E-02 0.966E-02
DAV: 3 -0.179841193177E+04 0.22231E-04 -0.80872E-05 1264 0.765E-03 0.187E-02
DAV: 4 -0.179841192932E+04 0.24519E-05 -0.13078E-05 1128 0.479E-03
39 T= 305. E= -.17857685E+04 F= -.17984119E+04 E0= -.17983897E+04 EK= 0.12643E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179842644124E+04 -0.14509E-01 -0.16801E-04 2208 0.300E-02 0.316E-02
DAV: 2 -0.179842645192E+04 -0.10677E-04 -0.19197E-04 2016 0.153E-02 0.732E-02
DAV: 3 -0.179842641527E+04 0.36647E-04 -0.92556E-05 1440 0.961E-03 0.319E-02
DAV: 4 -0.179842641063E+04 0.46392E-05 -0.21609E-05 1112 0.497E-03
40 T= 305. E= -.17857685E+04 F= -.17984264E+04 E0= -.17984045E+04 EK= 0.12658E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179844130325E+04 -0.14888E-01 -0.16776E-04 2420 0.313E-02 0.388E-02
DAV: 2 -0.179844130497E+04 -0.17204E-05 -0.23883E-04 1912 0.152E-02 0.718E-02
DAV: 3 -0.179844127051E+04 0.34466E-04 -0.13587E-04 1440 0.103E-02 0.324E-02
DAV: 4 -0.179844126236E+04 0.81490E-05 -0.28024E-05 1200 0.580E-03
41 T= 305. E= -.17857685E+04 F= -.17984413E+04 E0= -.17984195E+04 EK= 0.12673E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179845647705E+04 -0.15207E-01 -0.16937E-04 2238 0.290E-02 0.330E-02
DAV: 2 -0.179845647594E+04 0.11188E-05 -0.16661E-04 1912 0.151E-02 0.773E-02
DAV: 3 -0.179845645682E+04 0.19120E-04 -0.80500E-05 1288 0.796E-03 0.173E-02
DAV: 4 -0.179845645315E+04 0.36697E-05 -0.23901E-05 1224 0.603E-03
42 T= 306. E= -.17857685E+04 F= -.17984565E+04 E0= -.17984348E+04 EK= 0.12688E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179847205333E+04 -0.15597E-01 -0.14540E-04 2206 0.291E-02 0.365E-02
DAV: 2 -0.179847210024E+04 -0.46904E-04 -0.28901E-04 1984 0.178E-02 0.102E-01
DAV: 3 -0.179847202598E+04 0.74253E-04 -0.14507E-04 1528 0.116E-02 0.367E-02
DAV: 4 -0.179847202377E+04 0.22148E-05 -0.27604E-05 1184 0.529E-03
43 T= 306. E= -.17857685E+04 F= -.17984720E+04 E0= -.17984503E+04 EK= 0.12703E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179848799536E+04 -0.15969E-01 -0.21356E-04 2126 0.314E-02 0.487E-02
DAV: 2 -0.179848806580E+04 -0.70442E-04 -0.52529E-04 2072 0.212E-02 0.120E-01
DAV: 3 -0.179848796659E+04 0.99216E-04 -0.24828E-04 1830 0.146E-02 0.483E-02
DAV: 4 -0.179848795864E+04 0.79481E-05 -0.47622E-05 1232 0.611E-03
44 T= 307. E= -.17857685E+04 F= -.17984880E+04 E0= -.17984662E+04 EK= 0.12719E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179850429729E+04 -0.16331E-01 -0.17726E-04 2206 0.328E-02 0.356E-02
DAV: 2 -0.179850432120E+04 -0.23908E-04 -0.26988E-04 2008 0.175E-02 0.886E-02
DAV: 3 -0.179850426646E+04 0.54740E-04 -0.13107E-04 1488 0.109E-02 0.302E-02
DAV: 4 -0.179850426210E+04 0.43648E-05 -0.19712E-05 1120 0.518E-03
45 T= 307. E= -.17857685E+04 F= -.17985043E+04 E0= -.17984823E+04 EK= 0.12736E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179852096124E+04 -0.16695E-01 -0.17294E-04 1926 0.294E-02 0.366E-02
DAV: 2 -0.179852096219E+04 -0.94903E-06 -0.25818E-04 1992 0.158E-02 0.988E-02
DAV: 3 -0.179852092858E+04 0.33606E-04 -0.11312E-04 1368 0.877E-03 0.182E-02
DAV: 4 -0.179852091896E+04 0.96247E-05 -0.22368E-05 1288 0.685E-03
46 T= 307. E= -.17857685E+04 F= -.17985209E+04 E0= -.17984991E+04 EK= 0.12752E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179853798148E+04 -0.17053E-01 -0.21922E-04 2214 0.344E-02 0.549E-02
DAV: 2 -0.179853820795E+04 -0.22647E-03 -0.82563E-04 2384 0.279E-02 0.219E-01
DAV: 3 -0.179853793554E+04 0.27241E-03 -0.46006E-04 1968 0.190E-02 0.403E-02
DAV: 4 -0.179853793621E+04 -0.67151E-06 -0.69294E-05 1488 0.667E-03
47 T= 308. E= -.17857685E+04 F= -.17985379E+04 E0= -.17985164E+04 EK= 0.12769E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179855539876E+04 -0.17463E-01 -0.22084E-04 2022 0.388E-02 0.633E-02
DAV: 2 -0.179855576905E+04 -0.37029E-03 -0.86784E-04 2544 0.308E-02 0.276E-01
DAV: 3 -0.179855532964E+04 0.43940E-03 -0.48863E-04 2134 0.225E-02 0.519E-02
DAV: 4 -0.179855533905E+04 -0.94033E-05 -0.56945E-05 1576 0.658E-03
48 T= 308. E= -.17857686E+04 F= -.17985553E+04 E0= -.17985342E+04 EK= 0.12787E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179857313986E+04 -0.17810E-01 -0.25187E-04 1908 0.326E-02 0.491E-02
DAV: 2 -0.179857320317E+04 -0.63307E-04 -0.57205E-04 2040 0.224E-02 0.132E-01
DAV: 3 -0.179857309536E+04 0.10780E-03 -0.27201E-04 1880 0.146E-02 0.348E-02
DAV: 4 -0.179857309230E+04 0.30644E-05 -0.29632E-05 1240 0.624E-03
49 T= 309. E= -.17857686E+04 F= -.17985731E+04 E0= -.17985519E+04 EK= 0.12805E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179859120294E+04 -0.18108E-01 -0.37786E-04 1998 0.350E-02 0.614E-02
DAV: 2 -0.179859128985E+04 -0.86910E-04 -0.76665E-04 1960 0.218E-02 0.203E-01
DAV: 3 -0.179859118492E+04 0.10492E-03 -0.37918E-04 1864 0.146E-02 0.359E-02
DAV: 4 -0.179859117865E+04 0.62702E-05 -0.40547E-05 1256 0.652E-03
50 T= 309. E= -.17857685E+04 F= -.17985912E+04 E0= -.17985698E+04 EK= 0.12823E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179860972245E+04 -0.18538E-01 -0.28981E-04 2366 0.430E-02 0.466E-02
DAV: 2 -0.179860982693E+04 -0.10448E-03 -0.55200E-04 2080 0.220E-02 0.146E-01
DAV: 3 -0.179860967834E+04 0.14859E-03 -0.28299E-04 1848 0.154E-02 0.495E-02
DAV: 4 -0.179860967462E+04 0.37214E-05 -0.30967E-05 1248 0.523E-03
51 T= 309. E= -.17857686E+04 F= -.17986097E+04 E0= -.17985880E+04 EK= 0.12841E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179862862175E+04 -0.18943E-01 -0.32145E-04 2134 0.377E-02 0.648E-02
DAV: 2 -0.179862883589E+04 -0.21414E-03 -0.81505E-04 2224 0.294E-02 0.208E-01
DAV: 3 -0.179862854268E+04 0.29321E-03 -0.45818E-04 2080 0.208E-02 0.650E-02
DAV: 4 -0.179862853805E+04 0.46316E-05 -0.68047E-05 1544 0.806E-03
52 T= 310. E= -.17857686E+04 F= -.17986285E+04 E0= -.17986069E+04 EK= 0.12860E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179864776318E+04 -0.19220E-01 -0.36572E-04 1886 0.345E-02 0.501E-02
DAV: 2 -0.179864777975E+04 -0.16576E-04 -0.63287E-04 2000 0.210E-02 0.140E-01
DAV: 3 -0.179864771673E+04 0.63025E-04 -0.26716E-04 1736 0.117E-02 0.251E-02
DAV: 4 -0.179864770498E+04 0.11747E-04 -0.37952E-05 1312 0.731E-03 0.348E-02
DAV: 5 -0.179864769014E+04 0.14846E-04 -0.25410E-05 1224 0.693E-03 0.237E-02
DAV: 6 -0.179864767178E+04 0.18358E-04 -0.27062E-05 1336 0.816E-03 0.149E-02
DAV: 7 -0.179864766013E+04 0.11650E-04 -0.22629E-05 1336 0.789E-03 0.882E-03
DAV: 8 -0.179864765856E+04 0.15709E-05 -0.19176E-05 1160 0.533E-03
53 T= 310. E= -.17857685E+04 F= -.17986477E+04 E0= -.17986264E+04 EK= 0.12879E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179866743115E+04 -0.19771E-01 -0.34027E-04 1792 0.683E-02 0.573E-02
DAV: 2 -0.179866743604E+04 -0.48964E-05 -0.61657E-04 1968 0.237E-02 0.164E-01
DAV: 3 -0.179866735507E+04 0.80973E-04 -0.26785E-04 1864 0.135E-02 0.452E-02
DAV: 4 -0.179866732731E+04 0.27758E-04 -0.60612E-05 1328 0.922E-03 0.318E-02
DAV: 5 -0.179866726936E+04 0.57958E-04 -0.11824E-04 2008 0.195E-02 0.422E-02
DAV: 6 -0.179866723164E+04 0.37717E-04 -0.12843E-04 2056 0.175E-02 0.239E-02
DAV: 7 -0.179866722213E+04 0.95076E-05 -0.57244E-05 1720 0.959E-03
54 T= 311. E= -.17857685E+04 F= -.17986672E+04 E0= -.17986462E+04 EK= 0.12899E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179868715072E+04 -0.19919E-01 -0.10945E-04 1902 0.266E-02 0.483E-02
DAV: 2 -0.179868719086E+04 -0.40133E-04 -0.41690E-04 2288 0.214E-02 0.937E-02
DAV: 3 -0.179868714008E+04 0.50775E-04 -0.16973E-04 1792 0.118E-02 0.443E-02
DAV: 4 -0.179868713841E+04 0.16668E-05 -0.45082E-05 1216 0.722E-03
55 T= 311. E= -.17857685E+04 F= -.17986871E+04 E0= -.17986662E+04 EK= 0.12919E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179870749032E+04 -0.20350E-01 -0.39463E-04 1996 0.341E-02 0.675E-02
DAV: 2 -0.179870768419E+04 -0.19387E-03 -0.15218E-03 2320 0.345E-02 0.190E-01
DAV: 3 -0.179870743849E+04 0.24571E-03 -0.73878E-04 2142 0.224E-02 0.403E-02
DAV: 4 -0.179870744219E+04 -0.37039E-05 -0.50004E-05 1496 0.786E-03
56 T= 312. E= -.17857685E+04 F= -.17987074E+04 E0= -.17986861E+04 EK= 0.12939E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179872815910E+04 -0.20721E-01 -0.41776E-04 1934 0.331E-02 0.748E-02
DAV: 2 -0.179872827995E+04 -0.12085E-03 -0.93286E-04 2128 0.258E-02 0.182E-01
DAV: 3 -0.179872811194E+04 0.16801E-03 -0.50543E-04 2048 0.187E-02 0.386E-02
DAV: 4 -0.179872810889E+04 0.30512E-05 -0.51382E-05 1296 0.745E-03
57 T= 312. E= -.17857686E+04 F= -.17987281E+04 E0= -.17987069E+04 EK= 0.12960E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179874906948E+04 -0.20958E-01 -0.44702E-04 1950 0.290E-02 0.430E-02
DAV: 2 -0.179874909674E+04 -0.27259E-04 -0.32713E-04 1992 0.156E-02 0.100E-01
DAV: 3 -0.179874906833E+04 0.28405E-04 -0.16293E-04 1344 0.951E-03 0.296E-02
DAV: 4 -0.179874906811E+04 0.22312E-06 -0.25317E-05 1232 0.552E-03
58 T= 313. E= -.17857685E+04 F= -.17987491E+04 E0= -.17987280E+04 EK= 0.12981E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179877043738E+04 -0.21369E-01 -0.21799E-04 2232 0.389E-02 0.430E-02
DAV: 2 -0.179877050015E+04 -0.62774E-04 -0.34397E-04 1992 0.173E-02 0.138E-01
DAV: 3 -0.179877042989E+04 0.70261E-04 -0.17039E-04 1448 0.115E-02 0.284E-02
DAV: 4 -0.179877042590E+04 0.39961E-05 -0.21510E-05 1144 0.623E-03
59 T= 313. E= -.17857685E+04 F= -.17987704E+04 E0= -.17987498E+04 EK= 0.13002E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179879224369E+04 -0.21814E-01 -0.23639E-04 1982 0.389E-02 0.523E-02
DAV: 2 -0.179879228683E+04 -0.43140E-04 -0.41618E-04 2056 0.194E-02 0.133E-01
DAV: 3 -0.179879220225E+04 0.84572E-04 -0.24521E-04 1656 0.133E-02 0.489E-02
DAV: 4 -0.179879218857E+04 0.13683E-04 -0.50566E-05 1352 0.911E-03 0.253E-02
DAV: 5 -0.179879215886E+04 0.29715E-04 -0.41100E-05 1376 0.114E-02 0.190E-02
DAV: 6 -0.179879214777E+04 0.11082E-04 -0.48699E-05 1632 0.872E-03 0.176E-02
DAV: 7 -0.179879213805E+04 0.97266E-05 -0.17153E-05 1232 0.665E-03
60 T= 314. E= -.17857685E+04 F= -.17987921E+04 E0= -.17987715E+04 EK= 0.13024E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179881427274E+04 -0.22125E-01 -0.10053E-04 1534 0.399E-02 0.410E-02
DAV: 2 -0.179881428226E+04 -0.95147E-05 -0.15639E-04 1904 0.153E-02 0.693E-02
DAV: 3 -0.179881424756E+04 0.34694E-04 -0.94586E-05 1464 0.939E-03 0.384E-02
DAV: 4 -0.179881424244E+04 0.51235E-05 -0.18997E-05 1136 0.484E-03
61 T= 314. E= -.17857685E+04 F= -.17988142E+04 E0= -.17987934E+04 EK= 0.13046E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179883681832E+04 -0.22571E-01 -0.40749E-04 2072 0.369E-02 0.655E-02
DAV: 2 -0.179883711289E+04 -0.29457E-03 -0.88447E-04 2056 0.311E-02 0.259E-01
DAV: 3 -0.179883672837E+04 0.38452E-03 -0.47876E-04 2040 0.227E-02 0.426E-02
DAV: 4 -0.179883672553E+04 0.28409E-05 -0.78040E-05 1592 0.915E-03
62 T= 315. E= -.17857686E+04 F= -.17988367E+04 E0= -.17988157E+04 EK= 0.13068E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179885952668E+04 -0.22798E-01 -0.35773E-04 1886 0.293E-02 0.635E-02
DAV: 2 -0.179885982778E+04 -0.30110E-03 -0.10310E-03 2384 0.298E-02 0.234E-01
DAV: 3 -0.179885947179E+04 0.35599E-03 -0.59297E-04 2064 0.214E-02 0.617E-02
DAV: 4 -0.179885947448E+04 -0.26892E-05 -0.63497E-05 1544 0.696E-03
63 T= 315. E= -.17857685E+04 F= -.17988595E+04 E0= -.17988386E+04 EK= 0.13091E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179888262544E+04 -0.23154E-01 -0.29340E-04 1974 0.354E-02 0.584E-02
DAV: 2 -0.179888272222E+04 -0.96784E-04 -0.73148E-04 2016 0.235E-02 0.168E-01
DAV: 3 -0.179888260365E+04 0.11857E-03 -0.38518E-04 1960 0.155E-02 0.186E-02
DAV: 4 -0.179888260665E+04 -0.30033E-05 -0.20717E-05 1176 0.501E-03
64 T= 316. E= -.17857685E+04 F= -.17988826E+04 E0= -.17988621E+04 EK= 0.13114E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179890623485E+04 -0.23631E-01 -0.24211E-04 2182 0.471E-02 0.659E-02
DAV: 2 -0.179890634694E+04 -0.11209E-03 -0.71666E-04 2080 0.244E-02 0.235E-01
DAV: 3 -0.179890618277E+04 0.16417E-03 -0.42533E-04 1912 0.173E-02 0.312E-02
DAV: 4 -0.179890617284E+04 0.99331E-05 -0.45365E-05 1360 0.841E-03
65 T= 317. E= -.17857686E+04 F= -.17989062E+04 E0= -.17988861E+04 EK= 0.13138E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179893006394E+04 -0.23881E-01 -0.39891E-04 2022 0.295E-02 0.492E-02
DAV: 2 -0.179893007268E+04 -0.87373E-05 -0.45917E-04 2048 0.206E-02 0.890E-02
DAV: 3 -0.179893001957E+04 0.53112E-04 -0.21745E-04 1816 0.126E-02 0.252E-02
DAV: 4 -0.179893001542E+04 0.41473E-05 -0.48967E-05 1336 0.851E-03
66 T= 317. E= -.17857685E+04 F= -.17989300E+04 E0= -.17989100E+04 EK= 0.13161E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179895423886E+04 -0.24219E-01 -0.28587E-04 1982 0.322E-02 0.462E-02
DAV: 2 -0.179895427312E+04 -0.34263E-04 -0.42730E-04 1976 0.217E-02 0.115E-01
DAV: 3 -0.179895421304E+04 0.60087E-04 -0.22606E-04 1856 0.127E-02 0.159E-02
DAV: 4 -0.179895421283E+04 0.20316E-06 -0.20151E-05 1136 0.544E-03
67 T= 318. E= -.17857685E+04 F= -.17989542E+04 E0= -.17989338E+04 EK= 0.13186E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179897890821E+04 -0.24695E-01 -0.19462E-04 1928 0.456E-02 0.669E-02
DAV: 2 -0.179897909194E+04 -0.18374E-03 -0.88545E-04 2264 0.267E-02 0.284E-01
DAV: 3 -0.179897884742E+04 0.24452E-03 -0.55125E-04 1920 0.188E-02 0.270E-02
DAV: 4 -0.179897884286E+04 0.45603E-05 -0.53791E-05 1408 0.789E-03
68 T= 318. E= -.17857686E+04 F= -.17989788E+04 E0= -.17989582E+04 EK= 0.13210E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179900383898E+04 -0.24992E-01 -0.33391E-04 2160 0.337E-02 0.610E-02
DAV: 2 -0.179900388636E+04 -0.47383E-04 -0.10282E-03 2104 0.238E-02 0.178E-01
DAV: 3 -0.179900378671E+04 0.99650E-04 -0.44049E-04 1824 0.151E-02 0.382E-02
DAV: 4 -0.179900377539E+04 0.11316E-04 -0.80326E-05 1376 0.878E-03 0.275E-02
DAV: 5 -0.179900375878E+04 0.16612E-04 -0.29088E-05 1280 0.858E-03 0.225E-02
DAV: 6 -0.179900374430E+04 0.14477E-04 -0.33672E-05 1280 0.759E-03 0.132E-02
DAV: 7 -0.179900372972E+04 0.14589E-04 -0.23873E-05 1344 0.905E-03 0.945E-03
DAV: 8 -0.179900372310E+04 0.66153E-05 -0.33837E-05 1560 0.798E-03
69 T= 319. E= -.17857685E+04 F= -.17990037E+04 E0= -.17989835E+04 EK= 0.13235E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179902921584E+04 -0.25486E-01 -0.43494E-04 2222 0.662E-02 0.542E-02
DAV: 2 -0.179902921436E+04 0.14783E-05 -0.11458E-03 1968 0.255E-02 0.114E-01
DAV: 3 -0.179902912666E+04 0.87699E-04 -0.43263E-04 1936 0.147E-02 0.323E-02
DAV: 4 -0.179902910044E+04 0.26224E-04 -0.87158E-05 1488 0.106E-02 0.282E-02
DAV: 5 -0.179902905239E+04 0.48050E-04 -0.10242E-04 1872 0.170E-02 0.338E-02
DAV: 6 -0.179902903718E+04 0.15212E-04 -0.80588E-05 1848 0.115E-02 0.319E-02
DAV: 7 -0.179902902171E+04 0.15466E-04 -0.31255E-05 1280 0.825E-03 0.145E-02
DAV: 8 -0.179902901878E+04 0.29357E-05 -0.20382E-05 1224 0.476E-03
70 T= 320. E= -.17857685E+04 F= -.17990290E+04 E0= -.17990089E+04 EK= 0.13261E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179905467558E+04 -0.25654E-01 -0.17362E-04 1982 0.245E-02 0.506E-02
DAV: 2 -0.179905468466E+04 -0.90751E-05 -0.22877E-04 1912 0.126E-02 0.675E-02
DAV: 3 -0.179905466848E+04 0.16182E-04 -0.13617E-04 1232 0.814E-03 0.399E-02
DAV: 4 -0.179905467281E+04 -0.43377E-05 -0.44141E-05 1272 0.616E-03
71 T= 320. E= -.17857685E+04 F= -.17990547E+04 E0= -.17990347E+04 EK= 0.13286E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179908072979E+04 -0.26061E-01 -0.22893E-04 1902 0.262E-02 0.816E-02
DAV: 2 -0.179908129859E+04 -0.56881E-03 -0.12387E-03 2416 0.362E-02 0.358E-01
DAV: 3 -0.179908065637E+04 0.64222E-03 -0.71216E-04 2262 0.272E-02 0.371E-02
DAV: 4 -0.179908067918E+04 -0.22810E-04 -0.91187E-05 1624 0.828E-03 0.328E-02
DAV: 5 -0.179908067426E+04 0.49223E-05 -0.33004E-05 1120 0.608E-03
72 T= 321. E= -.17857685E+04 F= -.17990807E+04 E0= -.17990605E+04 EK= 0.13312E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179910707898E+04 -0.26400E-01 -0.18893E-04 1790 0.268E-02 0.720E-02
DAV: 2 -0.179910753998E+04 -0.46101E-03 -0.14287E-03 2352 0.345E-02 0.328E-01
DAV: 3 -0.179910702895E+04 0.51104E-03 -0.87771E-04 2096 0.248E-02 0.369E-02
DAV: 4 -0.179910703778E+04 -0.88317E-05 -0.78449E-05 1560 0.752E-03
73 T= 321. E= -.17857685E+04 F= -.17991070E+04 E0= -.17990868E+04 EK= 0.13339E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179913375775E+04 -0.26729E-01 -0.16332E-04 1870 0.234E-02 0.378E-02
DAV: 2 -0.179913389307E+04 -0.13532E-03 -0.42840E-04 2072 0.201E-02 0.151E-01
DAV: 3 -0.179913374227E+04 0.15080E-03 -0.18744E-04 1656 0.141E-02 0.345E-02
DAV: 4 -0.179913374416E+04 -0.18911E-05 -0.39720E-05 1240 0.508E-03
74 T= 322. E= -.17857685E+04 F= -.17991337E+04 E0= -.17991137E+04 EK= 0.13365E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179916080982E+04 -0.27068E-01 -0.16252E-04 1878 0.288E-02 0.366E-02
DAV: 2 -0.179916088178E+04 -0.71956E-04 -0.39176E-04 2096 0.174E-02 0.104E-01
DAV: 3 -0.179916080577E+04 0.76010E-04 -0.15095E-04 1520 0.111E-02 0.325E-02
DAV: 4 -0.179916080584E+04 -0.69340E-07 -0.27517E-05 1128 0.473E-03
75 T= 323. E= -.17857685E+04 F= -.17991608E+04 E0= -.17991409E+04 EK= 0.13392E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179918824655E+04 -0.27441E-01 -0.15163E-04 1976 0.286E-02 0.371E-02
DAV: 2 -0.179918829997E+04 -0.53417E-04 -0.33317E-04 2032 0.167E-02 0.105E-01
DAV: 3 -0.179918823506E+04 0.64908E-04 -0.15458E-04 1616 0.112E-02 0.298E-02
DAV: 4 -0.179918823435E+04 0.70891E-06 -0.14565E-05 1072 0.388E-03
76 T= 323. E= -.17857685E+04 F= -.17991882E+04 E0= -.17991686E+04 EK= 0.13420E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179921602174E+04 -0.27787E-01 -0.15581E-04 1992 0.250E-02 0.429E-02
DAV: 2 -0.179921605470E+04 -0.32953E-04 -0.35319E-04 1960 0.150E-02 0.122E-01
DAV: 3 -0.179921601050E+04 0.44203E-04 -0.18923E-04 1400 0.982E-03 0.197E-02
DAV: 4 -0.179921600885E+04 0.16476E-05 -0.15394E-05 1136 0.494E-03
77 T= 324. E= -.17857685E+04 F= -.17992160E+04 E0= -.17991965E+04 EK= 0.13448E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179924412194E+04 -0.28111E-01 -0.10622E-04 2000 0.252E-02 0.194E-02
DAV: 2 -0.179924413214E+04 -0.10200E-04 -0.13329E-04 1904 0.109E-02 0.384E-02
DAV: 3 -0.179924412081E+04 0.11332E-04 -0.34135E-05 1216 0.543E-03 0.194E-02
DAV: 4 -0.179924411931E+04 0.14913E-05 -0.10203E-05 928 0.308E-03
78 T= 325. E= -.17857685E+04 F= -.17992441E+04 E0= -.17992245E+04 EK= 0.13476E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179927261782E+04 -0.28497E-01 -0.12534E-04 2062 0.301E-02 0.270E-02
DAV: 2 -0.179927264284E+04 -0.25024E-04 -0.16532E-04 1904 0.137E-02 0.692E-02
DAV: 3 -0.179927260462E+04 0.38222E-04 -0.75437E-05 1350 0.842E-03 0.211E-02
DAV: 4 -0.179927260334E+04 0.12799E-05 -0.94818E-06 1000 0.336E-03
79 T= 325. E= -.17857685E+04 F= -.17992726E+04 E0= -.17992528E+04 EK= 0.13504E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179930147167E+04 -0.28867E-01 -0.11869E-04 2062 0.294E-02 0.532E-02
DAV: 2 -0.179930151934E+04 -0.47662E-04 -0.51480E-04 1968 0.182E-02 0.143E-01
DAV: 3 -0.179930144616E+04 0.73174E-04 -0.29671E-04 1486 0.125E-02 0.209E-02
DAV: 4 -0.179930144299E+04 0.31747E-05 -0.19584E-05 1232 0.605E-03
80 T= 326. E= -.17857685E+04 F= -.17993014E+04 E0= -.17992816E+04 EK= 0.13533E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179933061374E+04 -0.29168E-01 -0.16978E-04 1998 0.260E-02 0.244E-02
DAV: 2 -0.179933063450E+04 -0.20762E-04 -0.15562E-04 1944 0.137E-02 0.654E-02
DAV: 3 -0.179933060553E+04 0.28964E-04 -0.59166E-05 1320 0.761E-03 0.210E-02
DAV: 4 -0.179933060397E+04 0.15674E-05 -0.22882E-05 1024 0.410E-03
81 T= 327. E= -.17857685E+04 F= -.17993306E+04 E0= -.17993109E+04 EK= 0.13562E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179936014223E+04 -0.29537E-01 -0.18444E-04 2196 0.328E-02 0.322E-02
DAV: 2 -0.179936019236E+04 -0.50130E-04 -0.17734E-04 1944 0.152E-02 0.120E-01
DAV: 3 -0.179936012952E+04 0.62843E-04 -0.10393E-04 1408 0.984E-03 0.174E-02
DAV: 4 -0.179936012982E+04 -0.30026E-06 -0.13058E-05 1128 0.437E-03
82 T= 328. E= -.17857685E+04 F= -.17993601E+04 E0= -.17993408E+04 EK= 0.13592E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179939007010E+04 -0.29941E-01 -0.14527E-04 1990 0.365E-02 0.461E-02
DAV: 2 -0.179939011214E+04 -0.42040E-04 -0.35050E-04 2016 0.195E-02 0.105E-01
DAV: 3 -0.179939003566E+04 0.76484E-04 -0.19728E-04 1496 0.129E-02 0.248E-02
DAV: 4 -0.179939003196E+04 0.36996E-05 -0.27630E-05 1200 0.621E-03
83 T= 328. E= -.17857685E+04 F= -.17993900E+04 E0= -.17993709E+04 EK= 0.13622E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179942027644E+04 -0.30241E-01 -0.30115E-04 2214 0.268E-02 0.717E-02
DAV: 2 -0.179942039103E+04 -0.11459E-03 -0.10453E-03 2216 0.247E-02 0.226E-01
DAV: 3 -0.179942024670E+04 0.14433E-03 -0.57290E-04 1800 0.168E-02 0.366E-02
DAV: 4 -0.179942024422E+04 0.24858E-05 -0.48159E-05 1368 0.696E-03
84 T= 329. E= -.17857685E+04 F= -.17994202E+04 E0= -.17994011E+04 EK= 0.13652E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179945082010E+04 -0.30573E-01 -0.20678E-04 2310 0.324E-02 0.300E-02
DAV: 2 -0.179945084017E+04 -0.20077E-04 -0.19628E-04 1960 0.148E-02 0.719E-02
DAV: 3 -0.179945080808E+04 0.32097E-04 -0.90118E-05 1408 0.885E-03 0.237E-02
DAV: 4 -0.179945080889E+04 -0.81029E-06 -0.17458E-05 1000 0.430E-03
85 T= 330. E= -.17857685E+04 F= -.17994508E+04 E0= -.17994314E+04 EK= 0.13682E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179948179855E+04 -0.30990E-01 -0.16001E-04 2406 0.385E-02 0.461E-02
DAV: 2 -0.179948187873E+04 -0.80181E-04 -0.30682E-04 2096 0.202E-02 0.142E-01
DAV: 3 -0.179948176524E+04 0.11349E-03 -0.18655E-04 1704 0.134E-02 0.387E-02
DAV: 4 -0.179948175963E+04 0.56114E-05 -0.33239E-05 1344 0.637E-03
86 T= 330. E= -.17857685E+04 F= -.17994818E+04 E0= -.17994623E+04 EK= 0.13713E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179951306852E+04 -0.31303E-01 -0.21202E-04 2142 0.259E-02 0.449E-02
DAV: 2 -0.179951312772E+04 -0.59199E-04 -0.57112E-04 2072 0.209E-02 0.116E-01
DAV: 3 -0.179951303258E+04 0.95142E-04 -0.27736E-04 1712 0.140E-02 0.352E-02
DAV: 4 -0.179951302967E+04 0.29124E-05 -0.30883E-05 1192 0.577E-03
87 T= 331. E= -.17857685E+04 F= -.17995130E+04 E0= -.17994935E+04 EK= 0.13745E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179954462779E+04 -0.31595E-01 -0.19431E-04 2078 0.336E-02 0.295E-02
DAV: 2 -0.179954465174E+04 -0.23949E-04 -0.21613E-04 1928 0.154E-02 0.773E-02
DAV: 3 -0.179954462081E+04 0.30930E-04 -0.84945E-05 1360 0.837E-03 0.157E-02
DAV: 4 -0.179954462170E+04 -0.88826E-06 -0.16671E-05 1072 0.454E-03
88 T= 332. E= -.17857685E+04 F= -.17995446E+04 E0= -.17995256E+04 EK= 0.13776E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179957663979E+04 -0.32019E-01 -0.22898E-04 2164 0.431E-02 0.272E-02
DAV: 2 -0.179957662562E+04 0.14177E-04 -0.13571E-04 1904 0.134E-02 0.337E-02
DAV: 3 -0.179957661586E+04 0.97512E-05 -0.41244E-05 1264 0.678E-03
89 T= 333. E= -.17857685E+04 F= -.17995766E+04 E0= -.17995579E+04 EK= 0.13808E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179960903610E+04 -0.32410E-01 -0.31424E-04 2126 0.354E-02 0.800E-02
DAV: 2 -0.179960942967E+04 -0.39357E-03 -0.14588E-03 2376 0.351E-02 0.358E-01
DAV: 3 -0.179960894975E+04 0.47992E-03 -0.95290E-04 2104 0.249E-02 0.279E-02
DAV: 4 -0.179960894803E+04 0.17122E-05 -0.94244E-05 1648 0.112E-02
90 T= 334. E= -.17857685E+04 F= -.17996089E+04 E0= -.17995904E+04 EK= 0.13840E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179964160170E+04 -0.32652E-01 -0.53962E-04 2140 0.420E-02 0.976E-02
DAV: 2 -0.179964215891E+04 -0.55722E-03 -0.25996E-03 2472 0.468E-02 0.408E-01
DAV: 3 -0.179964155109E+04 0.60782E-03 -0.11990E-03 2264 0.323E-02 0.429E-02
DAV: 4 -0.179964155320E+04 -0.21110E-05 -0.13808E-04 1672 0.106E-02 0.189E-02
DAV: 5 -0.179964155439E+04 -0.11908E-05 -0.20378E-05 1192 0.517E-03
91 T= 334. E= -.17857685E+04 F= -.17996416E+04 E0= -.17996227E+04 EK= 0.13873E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179967466966E+04 -0.33116E-01 -0.52284E-04 1996 0.495E-02 0.657E-02
DAV: 2 -0.179967485668E+04 -0.18702E-03 -0.15185E-03 2128 0.361E-02 0.239E-01
DAV: 3 -0.179967461275E+04 0.24393E-03 -0.67305E-04 2008 0.233E-02 0.489E-02
DAV: 4 -0.179967460081E+04 0.11948E-04 -0.11945E-04 1568 0.995E-03 0.215E-02
DAV: 5 -0.179967458966E+04 0.11148E-04 -0.28986E-05 1264 0.785E-03 0.203E-02
DAV: 6 -0.179967457785E+04 0.11807E-04 -0.24692E-05 1264 0.739E-03 0.152E-02
DAV: 7 -0.179967456123E+04 0.16617E-04 -0.22178E-05 1320 0.931E-03 0.627E-03
DAV: 8 -0.179967455350E+04 0.77349E-05 -0.40631E-05 1688 0.105E-02
92 T= 335. E= -.17857685E+04 F= -.17996746E+04 E0= -.17996557E+04 EK= 0.13906E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179970792596E+04 -0.33365E-01 -0.10707E-04 1806 0.303E-02 0.412E-02
DAV: 2 -0.179970795150E+04 -0.25536E-04 -0.29871E-04 1984 0.169E-02 0.763E-02
DAV: 3 -0.179970791874E+04 0.32762E-04 -0.99067E-05 1342 0.100E-02 0.432E-02
DAV: 4 -0.179970791370E+04 0.50367E-05 -0.33400E-05 1168 0.526E-03
93 T= 336. E= -.17857685E+04 F= -.17997079E+04 E0= -.17996893E+04 EK= 0.13939E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179974165853E+04 -0.33740E-01 -0.61396E-04 1934 0.312E-02 0.546E-02
DAV: 2 -0.179974177357E+04 -0.11503E-03 -0.83875E-04 2064 0.254E-02 0.155E-01
DAV: 3 -0.179974162215E+04 0.15142E-03 -0.36484E-04 1974 0.169E-02 0.467E-02
DAV: 4 -0.179974161583E+04 0.63172E-05 -0.94982E-05 1448 0.963E-03
94 T= 337. E= -.17857685E+04 F= -.17997416E+04 E0= -.17997232E+04 EK= 0.13973E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179977568230E+04 -0.34060E-01 -0.43240E-04 1902 0.296E-02 0.702E-02
DAV: 2 -0.179977603627E+04 -0.35398E-03 -0.13707E-03 2384 0.321E-02 0.236E-01
DAV: 3 -0.179977563757E+04 0.39870E-03 -0.76760E-04 2224 0.240E-02 0.658E-02
DAV: 4 -0.179977564224E+04 -0.46694E-05 -0.76084E-05 1544 0.759E-03
95 T= 338. E= -.17857685E+04 F= -.17997756E+04 E0= -.17997572E+04 EK= 0.14007E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179981003129E+04 -0.34394E-01 -0.37579E-04 1856 0.316E-02 0.603E-02
DAV: 2 -0.179981020020E+04 -0.16892E-03 -0.81983E-04 2296 0.265E-02 0.165E-01
DAV: 3 -0.179981001693E+04 0.18328E-03 -0.38253E-04 2056 0.182E-02 0.630E-02
DAV: 4 -0.179981001109E+04 0.58395E-05 -0.45174E-05 1320 0.565E-03
96 T= 338. E= -.17857685E+04 F= -.17998100E+04 E0= -.17997915E+04 EK= 0.14042E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179984476515E+04 -0.34748E-01 -0.23267E-04 1880 0.323E-02 0.554E-02
DAV: 2 -0.179984484296E+04 -0.77813E-04 -0.67396E-04 2064 0.199E-02 0.188E-01
DAV: 3 -0.179984474834E+04 0.94623E-04 -0.32456E-04 1696 0.135E-02 0.274E-02
DAV: 4 -0.179984474750E+04 0.83665E-06 -0.31012E-05 1264 0.558E-03
97 T= 339. E= -.17857685E+04 F= -.17998447E+04 E0= -.17998261E+04 EK= 0.14076E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179987983105E+04 -0.35083E-01 -0.23010E-04 2032 0.290E-02 0.416E-02
DAV: 2 -0.179987988348E+04 -0.52427E-04 -0.60395E-04 2104 0.216E-02 0.106E-01
DAV: 3 -0.179987980890E+04 0.74576E-04 -0.26114E-04 1696 0.133E-02 0.197E-02
DAV: 4 -0.179987980718E+04 0.17187E-05 -0.34173E-05 1304 0.627E-03
98 T= 340. E= -.17857685E+04 F= -.17998798E+04 E0= -.17998612E+04 EK= 0.14111E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179991521921E+04 -0.35410E-01 -0.25308E-04 2080 0.273E-02 0.557E-02
DAV: 2 -0.179991535731E+04 -0.13810E-03 -0.80357E-04 2104 0.236E-02 0.191E-01
DAV: 3 -0.179991520536E+04 0.15195E-03 -0.42990E-04 1768 0.167E-02 0.412E-02
DAV: 4 -0.179991519929E+04 0.60676E-05 -0.42152E-05 1248 0.631E-03
99 T= 341. E= -.17857685E+04 F= -.17999152E+04 E0= -.17998968E+04 EK= 0.14147E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179995096657E+04 -0.35761E-01 -0.22017E-04 1966 0.334E-02 0.422E-02
DAV: 2 -0.179995099955E+04 -0.32981E-04 -0.34184E-04 1928 0.163E-02 0.102E-01
DAV: 3 -0.179995095176E+04 0.47799E-04 -0.18190E-04 1358 0.105E-02 0.177E-02
DAV: 4 -0.179995094811E+04 0.36441E-05 -0.16447E-05 1184 0.525E-03
100 T= 342. E= -.17857685E+04 F= -.17999509E+04 E0= -.17999327E+04 EK= 0.14182E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179998706051E+04 -0.36109E-01 -0.17441E-04 2014 0.317E-02 0.334E-02
DAV: 2 -0.179998709548E+04 -0.34968E-04 -0.20214E-04 1952 0.164E-02 0.838E-02
DAV: 3 -0.179998704436E+04 0.51125E-04 -0.94721E-05 1464 0.103E-02 0.334E-02
DAV: 4 -0.179998703926E+04 0.50919E-05 -0.21246E-05 1160 0.555E-03
101 T= 343. E= -.17857685E+04 F= -.17999870E+04 E0= -.17999691E+04 EK= 0.14219E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180002347732E+04 -0.36433E-01 -0.20065E-04 1926 0.278E-02 0.404E-02
DAV: 2 -0.180002351170E+04 -0.34390E-04 -0.28299E-04 1952 0.174E-02 0.115E-01
DAV: 3 -0.180002346167E+04 0.50035E-04 -0.16306E-04 1392 0.110E-02 0.275E-02
DAV: 4 -0.180002345903E+04 0.26436E-05 -0.23269E-05 1248 0.534E-03
102 T= 344. E= -.17857685E+04 F= -.18000235E+04 E0= -.18000054E+04 EK= 0.14255E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180006024248E+04 -0.36781E-01 -0.24038E-04 2158 0.313E-02 0.444E-02
DAV: 2 -0.180006028235E+04 -0.39876E-04 -0.41013E-04 2024 0.191E-02 0.103E-01
DAV: 3 -0.180006022024E+04 0.62111E-04 -0.22830E-04 1632 0.123E-02 0.190E-02
DAV: 4 -0.180006022018E+04 0.64974E-07 -0.21401E-05 1184 0.512E-03
103 T= 344. E= -.17857685E+04 F= -.18000602E+04 E0= -.18000421E+04 EK= 0.14292E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180009735645E+04 -0.37136E-01 -0.13366E-04 2310 0.346E-02 0.284E-02
DAV: 2 -0.180009736555E+04 -0.91014E-05 -0.17113E-04 1904 0.139E-02 0.661E-02
DAV: 3 -0.180009733542E+04 0.30127E-04 -0.84090E-05 1376 0.849E-03 0.244E-02
DAV: 4 -0.180009733148E+04 0.39418E-05 -0.16624E-05 1056 0.472E-03
104 T= 345. E= -.17857685E+04 F= -.18000973E+04 E0= -.18000789E+04 EK= 0.14329E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180013478594E+04 -0.37451E-01 -0.25140E-04 2224 0.286E-02 0.351E-02
DAV: 2 -0.180013479292E+04 -0.69836E-05 -0.16426E-04 2112 0.159E-02 0.716E-02
DAV: 3 -0.180013476600E+04 0.26926E-04 -0.87240E-05 1504 0.937E-03 0.364E-02
DAV: 4 -0.180013476022E+04 0.57798E-05 -0.29655E-05 1208 0.618E-03
105 T= 346. E= -.17857685E+04 F= -.18001348E+04 E0= -.18001167E+04 EK= 0.14366E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180017254951E+04 -0.37784E-01 -0.25600E-04 2104 0.318E-02 0.299E-02
DAV: 2 -0.180017254556E+04 0.39486E-05 -0.17998E-04 1920 0.166E-02 0.532E-02
DAV: 3 -0.180017253248E+04 0.13081E-04 -0.78057E-05 1512 0.821E-03 0.172E-02
DAV: 4 -0.180017253016E+04 0.23225E-05 -0.15160E-05 1120 0.517E-03
106 T= 347. E= -.17857685E+04 F= -.18001725E+04 E0= -.18001546E+04 EK= 0.14404E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180021068740E+04 -0.38155E-01 -0.17279E-04 1886 0.364E-02 0.614E-02
DAV: 2 -0.180021080525E+04 -0.11785E-03 -0.70572E-04 1976 0.223E-02 0.230E-01
DAV: 3 -0.180021065681E+04 0.14844E-03 -0.44384E-04 1704 0.162E-02 0.260E-02
DAV: 4 -0.180021065472E+04 0.20876E-05 -0.25450E-05 1208 0.518E-03
107 T= 348. E= -.17857685E+04 F= -.18002107E+04 E0= -.18001930E+04 EK= 0.14442E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180024913249E+04 -0.38476E-01 -0.22892E-04 2238 0.290E-02 0.650E-02
DAV: 2 -0.180024922775E+04 -0.95262E-04 -0.73763E-04 2168 0.218E-02 0.207E-01
DAV: 3 -0.180024910166E+04 0.12609E-03 -0.44116E-04 1648 0.162E-02 0.338E-02
DAV: 4 -0.180024909885E+04 0.28119E-05 -0.40607E-05 1336 0.663E-03
108 T= 349. E= -.17857685E+04 F= -.18002491E+04 E0= -.18002315E+04 EK= 0.14481E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180028790786E+04 -0.38806E-01 -0.29619E-04 2056 0.329E-02 0.337E-02
DAV: 2 -0.180028793798E+04 -0.30120E-04 -0.26667E-04 1968 0.193E-02 0.929E-02
DAV: 3 -0.180028787962E+04 0.58357E-04 -0.12702E-04 1776 0.110E-02 0.304E-02
DAV: 4 -0.180028787672E+04 0.29053E-05 -0.31304E-05 1208 0.542E-03
109 T= 350. E= -.17857685E+04 F= -.18002879E+04 E0= -.18002702E+04 EK= 0.14519E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180032703155E+04 -0.39152E-01 -0.20196E-04 2206 0.361E-02 0.336E-02
DAV: 2 -0.180032707547E+04 -0.43922E-04 -0.25529E-04 1944 0.173E-02 0.103E-01
DAV: 3 -0.180032700544E+04 0.70029E-04 -0.14550E-04 1536 0.112E-02 0.310E-02
DAV: 4 -0.180032700230E+04 0.31471E-05 -0.24038E-05 1176 0.487E-03
110 T= 351. E= -.17857685E+04 F= -.18003270E+04 E0= -.18003090E+04 EK= 0.14559E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180036649137E+04 -0.39486E-01 -0.21942E-04 2072 0.295E-02 0.534E-02
DAV: 2 -0.180036655826E+04 -0.66891E-04 -0.52085E-04 2112 0.204E-02 0.124E-01
DAV: 3 -0.180036645905E+04 0.99210E-04 -0.30261E-04 1814 0.149E-02 0.401E-02
DAV: 4 -0.180036645468E+04 0.43742E-05 -0.31807E-05 1224 0.559E-03
111 T= 352. E= -.17857685E+04 F= -.18003665E+04 E0= -.18003486E+04 EK= 0.14598E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180040624554E+04 -0.39786E-01 -0.25573E-04 2006 0.322E-02 0.461E-02
DAV: 2 -0.180040628766E+04 -0.42113E-04 -0.46454E-04 1984 0.190E-02 0.139E-01
DAV: 3 -0.180040622794E+04 0.59721E-04 -0.23933E-04 1544 0.119E-02 0.234E-02
DAV: 4 -0.180040622717E+04 0.76403E-06 -0.31001E-05 1264 0.580E-03
112 T= 353. E= -.17857685E+04 F= -.18004062E+04 E0= -.18003886E+04 EK= 0.14638E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180044637115E+04 -0.40143E-01 -0.24422E-04 2480 0.388E-02 0.239E-02
DAV: 2 -0.180044635912E+04 0.12027E-04 -0.12624E-04 1872 0.131E-02 0.384E-02
DAV: 3 -0.180044634981E+04 0.93095E-05 -0.49709E-05 1240 0.671E-03
113 T= 354. E= -.17857685E+04 F= -.18004463E+04 E0= -.18004291E+04 EK= 0.14678E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180048689528E+04 -0.40536E-01 -0.32339E-04 2312 0.380E-02 0.835E-02
DAV: 2 -0.180048742333E+04 -0.52806E-03 -0.16126E-03 2504 0.374E-02 0.358E-01
DAV: 3 -0.180048680223E+04 0.62110E-03 -0.11823E-03 2272 0.276E-02 0.345E-02
DAV: 4 -0.180048681643E+04 -0.14200E-04 -0.81631E-05 1664 0.828E-03 0.261E-02
DAV: 5 -0.180048679471E+04 0.21725E-04 -0.29976E-05 1272 0.101E-02 0.137E-02
DAV: 6 -0.180048678308E+04 0.11623E-04 -0.42328E-05 1504 0.863E-03 0.140E-02
DAV: 7 -0.180048677307E+04 0.10009E-04 -0.21669E-05 1240 0.736E-03 0.720E-03
DAV: 8 -0.180048676950E+04 0.35770E-05 -0.15709E-05 1312 0.632E-03
114 T= 355. E= -.17857685E+04 F= -.18004868E+04 E0= -.18004694E+04 EK= 0.14718E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180052769377E+04 -0.40921E-01 -0.27283E-04 1934 0.550E-02 0.727E-02
DAV: 2 -0.180052808893E+04 -0.39516E-03 -0.10260E-03 2264 0.339E-02 0.309E-01
DAV: 3 -0.180052760882E+04 0.48010E-03 -0.59385E-04 2072 0.244E-02 0.366E-02
DAV: 4 -0.180052761452E+04 -0.56986E-05 -0.73770E-05 1648 0.796E-03
115 T= 356. E= -.17857685E+04 F= -.18005276E+04 E0= -.18005099E+04 EK= 0.14759E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180056888697E+04 -0.41278E-01 -0.59982E-04 1996 0.397E-02 0.607E-02
DAV: 2 -0.180056901042E+04 -0.12344E-03 -0.98027E-04 2016 0.288E-02 0.180E-01
DAV: 3 -0.180056878312E+04 0.22730E-03 -0.48750E-04 1968 0.195E-02 0.558E-02
DAV: 4 -0.180056876845E+04 0.14668E-04 -0.87549E-05 1456 0.936E-03 0.368E-02
DAV: 5 -0.180056872448E+04 0.43967E-04 -0.49659E-05 1432 0.129E-02 0.199E-02
DAV: 6 -0.180056869135E+04 0.33131E-04 -0.10763E-04 1784 0.144E-02 0.220E-02
DAV: 7 -0.180056866769E+04 0.23659E-04 -0.63498E-05 1736 0.112E-02 0.105E-02
DAV: 8 -0.180056865858E+04 0.91102E-05 -0.26486E-05 1352 0.881E-03
116 T= 357. E= -.17857684E+04 F= -.18005687E+04 E0= -.18005513E+04 EK= 0.14800E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180061036209E+04 -0.41694E-01 -0.62346E-04 2076 0.740E-02 0.520E-02
DAV: 2 -0.180061035468E+04 0.74086E-05 -0.87738E-04 1984 0.288E-02 0.129E-01
DAV: 3 -0.180061023720E+04 0.11748E-03 -0.34097E-04 1952 0.166E-02 0.543E-02
DAV: 4 -0.180061021576E+04 0.21434E-04 -0.65291E-05 1352 0.856E-03 0.434E-02
DAV: 5 -0.180061015149E+04 0.64273E-04 -0.15317E-04 2000 0.196E-02 0.398E-02
DAV: 6 -0.180061010833E+04 0.43157E-04 -0.20059E-04 2096 0.202E-02 0.210E-02
DAV: 7 -0.180061010095E+04 0.73798E-05 -0.75658E-05 1776 0.999E-03
117 T= 358. E= -.17857685E+04 F= -.18006101E+04 E0= -.18005929E+04 EK= 0.14842E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180065188567E+04 -0.41777E-01 -0.21899E-04 1932 0.263E-02 0.628E-02
DAV: 2 -0.180065188579E+04 -0.12413E-06 -0.21474E-04 1992 0.168E-02 0.651E-02
DAV: 3 -0.180065187918E+04 0.66130E-05 -0.12922E-04 1512 0.107E-02 0.654E-02
DAV: 4 -0.180065187603E+04 0.31466E-05 -0.79183E-05 1288 0.788E-03
118 T= 359. E= -.17857685E+04 F= -.18006519E+04 E0= -.18006347E+04 EK= 0.14883E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180069400063E+04 -0.42121E-01 -0.47688E-04 1948 0.334E-02 0.603E-02
DAV: 2 -0.180069414613E+04 -0.14549E-03 -0.71532E-04 2088 0.275E-02 0.157E-01
DAV: 3 -0.180069397356E+04 0.17256E-03 -0.35754E-04 2008 0.179E-02 0.492E-02
DAV: 4 -0.180069397062E+04 0.29439E-05 -0.68292E-05 1400 0.867E-03
119 T= 360. E= -.17857685E+04 F= -.18006940E+04 E0= -.18006769E+04 EK= 0.14926E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180073645869E+04 -0.42485E-01 -0.41185E-04 2062 0.351E-02 0.766E-02
DAV: 2 -0.180073681374E+04 -0.35505E-03 -0.14988E-03 2240 0.352E-02 0.241E-01
DAV: 3 -0.180073640942E+04 0.40432E-03 -0.81592E-04 2216 0.243E-02 0.711E-02
DAV: 4 -0.180073641311E+04 -0.36964E-05 -0.83261E-05 1528 0.774E-03
120 T= 361. E= -.17857685E+04 F= -.18007364E+04 E0= -.18007190E+04 EK= 0.14968E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180077918736E+04 -0.42778E-01 -0.36356E-04 1902 0.280E-02 0.560E-02
DAV: 2 -0.180077936113E+04 -0.17376E-03 -0.88075E-04 2304 0.265E-02 0.165E-01
DAV: 3 -0.180077915780E+04 0.20333E-03 -0.40706E-04 1984 0.185E-02 0.596E-02
DAV: 4 -0.180077915567E+04 0.21330E-05 -0.41673E-05 1312 0.554E-03
121 T= 362. E= -.17857685E+04 F= -.18007792E+04 E0= -.18007620E+04 EK= 0.15011E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180082221341E+04 -0.43056E-01 -0.29286E-04 1974 0.346E-02 0.490E-02
DAV: 2 -0.180082227737E+04 -0.63964E-04 -0.45844E-04 2000 0.200E-02 0.132E-01
DAV: 3 -0.180082221418E+04 0.63191E-04 -0.20959E-04 1576 0.122E-02 0.240E-02
DAV: 4 -0.180082221880E+04 -0.46193E-05 -0.45785E-05 1304 0.654E-03
122 T= 363. E= -.17857684E+04 F= -.18008222E+04 E0= -.18008053E+04 EK= 0.15054E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180086566302E+04 -0.43449E-01 -0.27355E-04 2126 0.378E-02 0.405E-02
DAV: 2 -0.180086570040E+04 -0.37379E-04 -0.39336E-04 1984 0.185E-02 0.101E-01
DAV: 3 -0.180086564107E+04 0.59326E-04 -0.18791E-04 1608 0.117E-02 0.187E-02
DAV: 4 -0.180086563951E+04 0.15646E-05 -0.23283E-05 1216 0.663E-03
123 T= 364. E= -.17857685E+04 F= -.18008656E+04 E0= -.18008491E+04 EK= 0.15097E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180090941049E+04 -0.43769E-01 -0.19634E-04 2174 0.299E-02 0.329E-02
DAV: 2 -0.180090942978E+04 -0.19288E-04 -0.23760E-04 1992 0.178E-02 0.680E-02
DAV: 3 -0.180090938233E+04 0.47451E-04 -0.99865E-05 1480 0.109E-02 0.389E-02
DAV: 4 -0.180090937406E+04 0.82623E-05 -0.31917E-05 1176 0.564E-03
124 T= 365. E= -.17857685E+04 F= -.18009094E+04 E0= -.18008928E+04 EK= 0.15141E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180095339801E+04 -0.44016E-01 -0.22066E-04 2270 0.354E-02 0.279E-02
DAV: 2 -0.180095343031E+04 -0.32291E-04 -0.25896E-04 1960 0.155E-02 0.755E-02
DAV: 3 -0.180095339506E+04 0.35243E-04 -0.10255E-04 1448 0.909E-03 0.244E-02
DAV: 4 -0.180095339492E+04 0.13722E-06 -0.10710E-05 952 0.335E-03
125 T= 366. E= -.17857684E+04 F= -.18009534E+04 E0= -.18009367E+04 EK= 0.15185E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180099783936E+04 -0.44444E-01 -0.32871E-04 2238 0.398E-02 0.568E-02
DAV: 2 -0.180099791198E+04 -0.72622E-04 -0.68857E-04 2016 0.226E-02 0.185E-01
DAV: 3 -0.180099780740E+04 0.10459E-03 -0.37145E-04 1792 0.151E-02 0.310E-02
DAV: 4 -0.180099780256E+04 0.48368E-05 -0.26694E-05 1232 0.529E-03
126 T= 367. E= -.17857685E+04 F= -.18009978E+04 E0= -.18009808E+04 EK= 0.15229E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180104257052E+04 -0.44763E-01 -0.19017E-04 2464 0.308E-02 0.468E-02
DAV: 2 -0.180104258925E+04 -0.18733E-04 -0.42768E-04 2016 0.184E-02 0.104E-01
DAV: 3 -0.180104252505E+04 0.64199E-04 -0.23488E-04 1560 0.125E-02 0.225E-02
DAV: 4 -0.180104251543E+04 0.96160E-05 -0.33845E-05 1256 0.794E-03
127 T= 368. E= -.17857685E+04 F= -.18010425E+04 E0= -.18010257E+04 EK= 0.15274E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180108749179E+04 -0.44967E-01 -0.23239E-04 2416 0.357E-02 0.221E-02
DAV: 2 -0.180108749635E+04 -0.45552E-05 -0.14380E-04 1920 0.142E-02 0.315E-02
DAV: 3 -0.180108749109E+04 0.52618E-05 -0.48389E-05 1286 0.714E-03
128 T= 369. E= -.17857684E+04 F= -.18010875E+04 E0= -.18010709E+04 EK= 0.15319E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180113288630E+04 -0.45390E-01 -0.44225E-04 2182 0.434E-02 0.393E-02
DAV: 2 -0.180113288768E+04 -0.13808E-05 -0.27842E-04 1952 0.169E-02 0.984E-02
DAV: 3 -0.180113285877E+04 0.28919E-04 -0.14259E-04 1440 0.937E-03 0.298E-02
DAV: 4 -0.180113285147E+04 0.72988E-05 -0.21332E-05 1168 0.638E-03
129 T= 370. E= -.17857684E+04 F= -.18011329E+04 E0= -.18011166E+04 EK= 0.15364E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180117861100E+04 -0.45752E-01 -0.28920E-04 2574 0.374E-02 0.462E-02
DAV: 2 -0.180117861839E+04 -0.73922E-05 -0.39592E-04 2016 0.201E-02 0.904E-02
DAV: 3 -0.180117855657E+04 0.61821E-04 -0.21019E-04 1728 0.132E-02 0.444E-02
DAV: 4 -0.180117854243E+04 0.14135E-04 -0.44465E-05 1264 0.747E-03 0.353E-02
DAV: 5 -0.180117851468E+04 0.27758E-04 -0.47623E-05 1384 0.119E-02 0.209E-02
DAV: 6 -0.180117849977E+04 0.14901E-04 -0.51455E-05 1608 0.985E-03 0.162E-02
DAV: 7 -0.180117849064E+04 0.91376E-05 -0.23467E-05 1240 0.639E-03
130 T= 371. E= -.17857684E+04 F= -.18011785E+04 E0= -.18011621E+04 EK= 0.15410E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180122457849E+04 -0.46079E-01 -0.21743E-04 1598 0.533E-02 0.429E-02
DAV: 2 -0.180122459941E+04 -0.20922E-04 -0.28616E-04 1904 0.180E-02 0.906E-02
DAV: 3 -0.180122453430E+04 0.65116E-04 -0.17677E-04 1536 0.121E-02 0.425E-02
DAV: 4 -0.180122452466E+04 0.96415E-05 -0.28962E-05 1224 0.559E-03
131 T= 373. E= -.17857685E+04 F= -.18012245E+04 E0= -.18012077E+04 EK= 0.15456E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180127092385E+04 -0.46390E-01 -0.93955E-04 1934 0.365E-02 0.716E-02
DAV: 2 -0.180127097932E+04 -0.55470E-04 -0.98184E-04 2008 0.282E-02 0.146E-01
DAV: 3 -0.180127084483E+04 0.13448E-03 -0.48749E-04 1958 0.180E-02 0.331E-02
DAV: 4 -0.180127083493E+04 0.98993E-05 -0.90140E-05 1504 0.110E-02
132 T= 374. E= -.17857685E+04 F= -.18012708E+04 E0= -.18012542E+04 EK= 0.15502E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180131744384E+04 -0.46599E-01 -0.60028E-04 1990 0.349E-02 0.723E-02
DAV: 2 -0.180131766381E+04 -0.21997E-03 -0.11754E-03 2304 0.311E-02 0.289E-01
DAV: 3 -0.180131740134E+04 0.26247E-03 -0.60034E-04 1952 0.205E-02 0.358E-02
DAV: 4 -0.180131740700E+04 -0.56603E-05 -0.62174E-05 1456 0.759E-03
133 T= 375. E= -.17857684E+04 F= -.18013174E+04 E0= -.18013009E+04 EK= 0.15549E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180136434991E+04 -0.46949E-01 -0.31518E-04 2028 0.427E-02 0.565E-02
DAV: 2 -0.180136448363E+04 -0.13372E-03 -0.79930E-04 2248 0.254E-02 0.223E-01
DAV: 3 -0.180136432912E+04 0.15451E-03 -0.41128E-04 1936 0.163E-02 0.265E-02
DAV: 4 -0.180136432889E+04 0.23050E-06 -0.51090E-05 1328 0.693E-03
134 T= 376. E= -.17857684E+04 F= -.18013643E+04 E0= -.18013482E+04 EK= 0.15596E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180141173292E+04 -0.47404E-01 -0.39699E-04 2294 0.493E-02 0.565E-02
DAV: 2 -0.180141173092E+04 0.20057E-05 -0.67605E-04 2048 0.225E-02 0.141E-01
DAV: 3 -0.180141165898E+04 0.71940E-04 -0.34284E-04 1824 0.137E-02 0.318E-02
DAV: 4 -0.180141164136E+04 0.17622E-04 -0.54317E-05 1432 0.113E-02 0.437E-02
DAV: 5 -0.180141160129E+04 0.40062E-04 -0.85252E-05 1696 0.139E-02 0.258E-02
DAV: 6 -0.180141157868E+04 0.22614E-04 -0.57052E-05 1552 0.117E-02 0.144E-02
DAV: 7 -0.180141157227E+04 0.64090E-05 -0.42537E-05 1488 0.691E-03
135 T= 377. E= -.17857684E+04 F= -.18014116E+04 E0= -.18013955E+04 EK= 0.15643E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180145922623E+04 -0.47648E-01 -0.25684E-04 1878 0.521E-02 0.425E-02
DAV: 2 -0.180145922275E+04 0.34773E-05 -0.27443E-04 1928 0.169E-02 0.785E-02
DAV: 3 -0.180145918960E+04 0.33149E-04 -0.14968E-04 1648 0.980E-03 0.239E-02
DAV: 4 -0.180145917075E+04 0.18846E-04 -0.34766E-05 1312 0.840E-03 0.236E-02
DAV: 5 -0.180145915629E+04 0.14465E-04 -0.44646E-05 1440 0.864E-03 0.281E-02
DAV: 6 -0.180145914482E+04 0.11468E-04 -0.34406E-05 1296 0.856E-03 0.191E-02
DAV: 7 -0.180145913719E+04 0.76353E-05 -0.29175E-05 1328 0.692E-03
136 T= 378. E= -.17857684E+04 F= -.18014591E+04 E0= -.18014430E+04 EK= 0.15691E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180150704492E+04 -0.47900E-01 -0.17947E-04 2046 0.253E-02 0.482E-02
DAV: 2 -0.180150703389E+04 0.11023E-04 -0.11910E-04 1872 0.117E-02 0.327E-02
DAV: 3 -0.180150704115E+04 -0.72577E-05 -0.69160E-05 1278 0.794E-03
137 T= 379. E= -.17857684E+04 F= -.18015070E+04 E0= -.18014908E+04 EK= 0.15739E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180155523517E+04 -0.48201E-01 -0.19290E-04 1872 0.263E-02 0.604E-02
DAV: 2 -0.180155544148E+04 -0.20632E-03 -0.78623E-04 2176 0.284E-02 0.209E-01
DAV: 3 -0.180155521795E+04 0.22353E-03 -0.48425E-04 1824 0.193E-02 0.428E-02
DAV: 4 -0.180155521544E+04 0.25181E-05 -0.68169E-05 1392 0.748E-03
138 T= 380. E= -.17857684E+04 F= -.18015552E+04 E0= -.18015392E+04 EK= 0.15787E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180160373628E+04 -0.48518E-01 -0.16026E-04 1992 0.298E-02 0.524E-02
DAV: 2 -0.180160387776E+04 -0.14148E-03 -0.56044E-04 2136 0.245E-02 0.152E-01
DAV: 3 -0.180160373027E+04 0.14749E-03 -0.26070E-04 1936 0.164E-02 0.508E-02
DAV: 4 -0.180160372467E+04 0.56028E-05 -0.56148E-05 1376 0.652E-03
139 T= 382. E= -.17857684E+04 F= -.18016037E+04 E0= -.18015879E+04 EK= 0.15835E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180165257565E+04 -0.48845E-01 -0.30342E-04 1952 0.329E-02 0.565E-02
DAV: 2 -0.180165262984E+04 -0.54184E-04 -0.56555E-04 2040 0.202E-02 0.139E-01
DAV: 3 -0.180165255901E+04 0.70828E-04 -0.30814E-04 1504 0.130E-02 0.247E-02
DAV: 4 -0.180165256334E+04 -0.43273E-05 -0.41597E-05 1360 0.716E-03
140 T= 383. E= -.17857684E+04 F= -.18016526E+04 E0= -.18016369E+04 EK= 0.15884E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180170169034E+04 -0.49131E-01 -0.20930E-04 1896 0.267E-02 0.444E-02
DAV: 2 -0.180170176016E+04 -0.69813E-04 -0.47626E-04 1976 0.191E-02 0.104E-01
DAV: 3 -0.180170168257E+04 0.77583E-04 -0.24219E-04 1504 0.130E-02 0.304E-02
DAV: 4 -0.180170168383E+04 -0.12520E-05 -0.25812E-05 1200 0.504E-03
141 T= 384. E= -.17857684E+04 F= -.18017017E+04 E0= -.18016861E+04 EK= 0.15933E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180175112661E+04 -0.49444E-01 -0.14161E-04 1936 0.287E-02 0.329E-02
DAV: 2 -0.180175114800E+04 -0.21390E-04 -0.20837E-04 1872 0.126E-02 0.711E-02
DAV: 3 -0.180175112322E+04 0.24784E-04 -0.10695E-04 1312 0.791E-03 0.119E-02
DAV: 4 -0.180175112336E+04 -0.14745E-06 -0.12232E-05 960 0.407E-03
142 T= 385. E= -.17857684E+04 F= -.18017511E+04 E0= -.18017353E+04 EK= 0.15983E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180180091538E+04 -0.49792E-01 -0.14147E-04 2134 0.311E-02 0.485E-02
DAV: 2 -0.180180103361E+04 -0.11823E-03 -0.50451E-04 1992 0.207E-02 0.186E-01
DAV: 3 -0.180180089269E+04 0.14092E-03 -0.34214E-04 1686 0.154E-02 0.204E-02
DAV: 4 -0.180180089235E+04 0.33704E-06 -0.22445E-05 1224 0.526E-03
143 T= 386. E= -.17857684E+04 F= -.18018009E+04 E0= -.18017851E+04 EK= 0.16032E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180185096226E+04 -0.50070E-01 -0.13725E-04 2100 0.250E-02 0.337E-02
DAV: 2 -0.180185099215E+04 -0.29892E-04 -0.24115E-04 1904 0.148E-02 0.109E-01
DAV: 3 -0.180185095137E+04 0.40776E-04 -0.13325E-04 1352 0.988E-03 0.191E-02
DAV: 4 -0.180185094993E+04 0.14470E-05 -0.16014E-05 1096 0.429E-03
144 T= 388. E= -.17857684E+04 F= -.18018509E+04 E0= -.18018352E+04 EK= 0.16083E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180190132002E+04 -0.50369E-01 -0.16495E-04 2222 0.297E-02 0.335E-02
DAV: 2 -0.180190140481E+04 -0.84783E-04 -0.29636E-04 1944 0.179E-02 0.121E-01
DAV: 3 -0.180190131094E+04 0.93869E-04 -0.14995E-04 1480 0.117E-02 0.251E-02
DAV: 4 -0.180190131370E+04 -0.27652E-05 -0.26725E-05 1184 0.426E-03
145 T= 389. E= -.17857684E+04 F= -.18019013E+04 E0= -.18018858E+04 EK= 0.16133E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180195202756E+04 -0.50717E-01 -0.13689E-04 2198 0.326E-02 0.314E-02
DAV: 2 -0.180195207287E+04 -0.45314E-04 -0.20574E-04 1936 0.150E-02 0.105E-01
DAV: 3 -0.180195200985E+04 0.63020E-04 -0.11874E-04 1392 0.101E-02 0.196E-02
DAV: 4 -0.180195200798E+04 0.18705E-05 -0.23856E-05 1168 0.523E-03
146 T= 390. E= -.17857684E+04 F= -.18019520E+04 E0= -.18019367E+04 EK= 0.16184E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180200300752E+04 -0.50998E-01 -0.17982E-04 2064 0.267E-02 0.352E-02
DAV: 2 -0.180200304549E+04 -0.37971E-04 -0.19222E-04 1960 0.151E-02 0.103E-01
DAV: 3 -0.180200299222E+04 0.53273E-04 -0.11893E-04 1424 0.102E-02 0.219E-02
DAV: 4 -0.180200299028E+04 0.19378E-05 -0.22490E-05 1240 0.617E-03
147 T= 391. E= -.17857684E+04 F= -.18020030E+04 E0= -.18019878E+04 EK= 0.16235E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180205427585E+04 -0.51284E-01 -0.19438E-04 1984 0.299E-02 0.223E-02
DAV: 2 -0.180205428108E+04 -0.52304E-05 -0.12706E-04 1848 0.133E-02 0.454E-02
DAV: 3 -0.180205427252E+04 0.85572E-05 -0.44115E-05 1208 0.630E-03
148 T= 392. E= -.17857684E+04 F= -.18020543E+04 E0= -.18020389E+04 EK= 0.16286E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180210590723E+04 -0.51626E-01 -0.21415E-04 1934 0.342E-02 0.377E-02
DAV: 2 -0.180210599737E+04 -0.90139E-04 -0.45548E-04 2112 0.197E-02 0.125E-01
DAV: 3 -0.180210588609E+04 0.11128E-03 -0.19112E-04 1630 0.128E-02 0.376E-02
DAV: 4 -0.180210588639E+04 -0.30411E-06 -0.32967E-05 1216 0.501E-03
149 T= 394. E= -.17857684E+04 F= -.18021059E+04 E0= -.18020905E+04 EK= 0.16337E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180215781592E+04 -0.51930E-01 -0.31324E-04 1992 0.298E-02 0.405E-02
DAV: 2 -0.180215788155E+04 -0.65633E-04 -0.41897E-04 2024 0.195E-02 0.112E-01
DAV: 3 -0.180215779225E+04 0.89301E-04 -0.21319E-04 1680 0.130E-02 0.332E-02
DAV: 4 -0.180215779105E+04 0.11974E-05 -0.32933E-05 1200 0.569E-03
150 T= 395. E= -.17857684E+04 F= -.18021578E+04 E0= -.18021423E+04 EK= 0.16389E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180220998134E+04 -0.52189E-01 -0.30657E-04 1984 0.324E-02 0.263E-02
DAV: 2 -0.180220999996E+04 -0.18617E-04 -0.18225E-04 1912 0.152E-02 0.539E-02
DAV: 3 -0.180220998138E+04 0.18576E-04 -0.69433E-05 1384 0.823E-03 0.265E-02
DAV: 4 -0.180220997968E+04 0.17005E-05 -0.15648E-05 960 0.389E-03
151 T= 396. E= -.17857684E+04 F= -.18022100E+04 E0= -.18021948E+04 EK= 0.16442E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180226251158E+04 -0.52530E-01 -0.25535E-04 2062 0.353E-02 0.261E-02
DAV: 2 -0.180226252259E+04 -0.11019E-04 -0.19769E-04 1880 0.132E-02 0.869E-02
DAV: 3 -0.180226250115E+04 0.21448E-04 -0.67454E-05 1288 0.679E-03 0.190E-02
DAV: 4 -0.180226249868E+04 0.24700E-05 -0.12730E-05 1040 0.458E-03
152 T= 398. E= -.17857684E+04 F= -.18022625E+04 E0= -.18022476E+04 EK= 0.16494E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180231535085E+04 -0.52850E-01 -0.17818E-04 2300 0.295E-02 0.479E-02
DAV: 2 -0.180231539064E+04 -0.39792E-04 -0.51387E-04 1968 0.183E-02 0.125E-01
DAV: 3 -0.180231532033E+04 0.70307E-04 -0.28076E-04 1560 0.124E-02 0.135E-02
DAV: 4 -0.180231531046E+04 0.98732E-05 -0.21162E-05 1272 0.789E-03
153 T= 399. E= -.17857684E+04 F= -.18023153E+04 E0= -.18023004E+04 EK= 0.16547E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180236841966E+04 -0.53099E-01 -0.18168E-04 2348 0.346E-02 0.477E-02
DAV: 2 -0.180236847167E+04 -0.52020E-04 -0.53721E-04 2032 0.187E-02 0.113E-01
DAV: 3 -0.180236840864E+04 0.63032E-04 -0.28529E-04 1502 0.116E-02 0.243E-02
DAV: 4 -0.180236840852E+04 0.12376E-06 -0.19213E-05 1104 0.446E-03
154 T= 400. E= -.17857684E+04 F= -.18023684E+04 E0= -.18023534E+04 EK= 0.16600E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180242187492E+04 -0.53466E-01 -0.26499E-04 1950 0.345E-02 0.328E-02
DAV: 2 -0.180242191571E+04 -0.40795E-04 -0.25947E-04 1944 0.181E-02 0.984E-02
DAV: 3 -0.180242184765E+04 0.68065E-04 -0.12122E-04 1582 0.111E-02 0.280E-02
DAV: 4 -0.180242184239E+04 0.52524E-05 -0.31516E-05 1208 0.567E-03
155 T= 401. E= -.17857684E+04 F= -.18024218E+04 E0= -.18024067E+04 EK= 0.16653E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180247558375E+04 -0.53736E-01 -0.13661E-04 2214 0.274E-02 0.337E-02
DAV: 2 -0.180247562540E+04 -0.41653E-04 -0.28912E-04 2000 0.171E-02 0.997E-02
DAV: 3 -0.180247555749E+04 0.67915E-04 -0.14492E-04 1456 0.108E-02 0.290E-02
DAV: 4 -0.180247555405E+04 0.34319E-05 -0.23238E-05 1144 0.499E-03
156 T= 403. E= -.17857684E+04 F= -.18024756E+04 E0= -.18024604E+04 EK= 0.16707E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180252954602E+04 -0.53989E-01 -0.19539E-04 2382 0.337E-02 0.406E-02
DAV: 2 -0.180252963264E+04 -0.86626E-04 -0.46956E-04 2168 0.194E-02 0.116E-01
DAV: 3 -0.180252953522E+04 0.97428E-04 -0.23444E-04 1664 0.134E-02 0.385E-02
DAV: 4 -0.180252953558E+04 -0.36835E-06 -0.22897E-05 1136 0.442E-03
157 T= 404. E= -.17857684E+04 F= -.18025295E+04 E0= -.18025147E+04 EK= 0.16761E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180258389057E+04 -0.54355E-01 -0.32780E-04 2174 0.384E-02 0.406E-02
DAV: 2 -0.180258390761E+04 -0.17042E-04 -0.41795E-04 1952 0.173E-02 0.999E-02
DAV: 3 -0.180258386518E+04 0.42435E-04 -0.19313E-04 1424 0.102E-02 0.165E-02
DAV: 4 -0.180258385834E+04 0.68436E-05 -0.21293E-05 1224 0.696E-03
158 T= 405. E= -.17857684E+04 F= -.18025839E+04 E0= -.18025693E+04 EK= 0.16815E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180263850771E+04 -0.54643E-01 -0.19745E-04 2408 0.303E-02 0.412E-02
DAV: 2 -0.180263861144E+04 -0.10374E-03 -0.44034E-04 2248 0.213E-02 0.151E-01
DAV: 3 -0.180263846924E+04 0.14220E-03 -0.21863E-04 1582 0.140E-02 0.315E-02
DAV: 4 -0.180263846845E+04 0.79103E-06 -0.39577E-05 1288 0.590E-03
159 T= 407. E= -.17857684E+04 F= -.18026385E+04 E0= -.18026240E+04 EK= 0.16870E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180269335194E+04 -0.54883E-01 -0.20695E-04 2334 0.342E-02 0.349E-02
DAV: 2 -0.180269343152E+04 -0.79582E-04 -0.38150E-04 2112 0.186E-02 0.115E-01
DAV: 3 -0.180269333893E+04 0.92592E-04 -0.18437E-04 1598 0.121E-02 0.327E-02
DAV: 4 -0.180269334025E+04 -0.13213E-05 -0.24028E-05 1144 0.460E-03
160 T= 408. E= -.17857684E+04 F= -.18026933E+04 E0= -.18026787E+04 EK= 0.16925E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180274858936E+04 -0.55250E-01 -0.33838E-04 2216 0.375E-02 0.467E-02
DAV: 2 -0.180274860953E+04 -0.20165E-04 -0.46726E-04 1912 0.184E-02 0.109E-01
DAV: 3 -0.180274855829E+04 0.51237E-04 -0.23490E-04 1528 0.116E-02 0.181E-02
DAV: 4 -0.180274854968E+04 0.86131E-05 -0.20877E-05 1224 0.708E-03
161 T= 409. E= -.17857684E+04 F= -.18027485E+04 E0= -.18027337E+04 EK= 0.16980E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180280410550E+04 -0.55547E-01 -0.18779E-04 2432 0.327E-02 0.524E-02
DAV: 2 -0.180280432292E+04 -0.21742E-03 -0.77511E-04 2440 0.261E-02 0.217E-01
DAV: 3 -0.180280405150E+04 0.27143E-03 -0.46906E-04 1840 0.184E-02 0.322E-02
DAV: 4 -0.180280405368E+04 -0.21876E-05 -0.52598E-05 1480 0.650E-03
162 T= 411. E= -.17857684E+04 F= -.18028041E+04 E0= -.18027892E+04 EK= 0.17036E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180285981527E+04 -0.55764E-01 -0.23842E-04 2294 0.383E-02 0.529E-02
DAV: 2 -0.180286008572E+04 -0.27045E-03 -0.77116E-04 2432 0.269E-02 0.241E-01
DAV: 3 -0.180285978445E+04 0.30127E-03 -0.40417E-04 1952 0.188E-02 0.273E-02
DAV: 4 -0.180285979433E+04 -0.98709E-05 -0.38388E-05 1552 0.578E-03
163 T= 412. E= -.17857684E+04 F= -.18028598E+04 E0= -.18028453E+04 EK= 0.17091E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180291592402E+04 -0.56140E-01 -0.48299E-04 2038 0.414E-02 0.380E-02
DAV: 2 -0.180291594027E+04 -0.16251E-04 -0.36081E-04 1920 0.194E-02 0.827E-02
DAV: 3 -0.180291589525E+04 0.45019E-04 -0.13678E-04 1672 0.109E-02 0.322E-02
DAV: 4 -0.180291589021E+04 0.50355E-05 -0.36481E-05 1192 0.683E-03
164 T= 413. E= -.17857684E+04 F= -.18029159E+04 E0= -.18029015E+04 EK= 0.17148E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180297232104E+04 -0.56426E-01 -0.30021E-04 2086 0.348E-02 0.510E-02
DAV: 2 -0.180297234355E+04 -0.22509E-04 -0.59487E-04 1984 0.199E-02 0.131E-01
DAV: 3 -0.180297227610E+04 0.67444E-04 -0.30017E-04 1528 0.126E-02 0.237E-02
DAV: 4 -0.180297226513E+04 0.10976E-04 -0.44571E-05 1400 0.912E-03 0.342E-02
DAV: 5 -0.180297224746E+04 0.17663E-04 -0.32026E-05 1328 0.819E-03 0.157E-02
DAV: 6 -0.180297223096E+04 0.16507E-04 -0.24011E-05 1320 0.909E-03 0.132E-02
DAV: 7 -0.180297222540E+04 0.55594E-05 -0.25941E-05 1328 0.634E-03
165 T= 415. E= -.17857684E+04 F= -.18029722E+04 E0= -.18029578E+04 EK= 0.17204E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180302901686E+04 -0.56786E-01 -0.24524E-04 1430 0.569E-02 0.498E-02
DAV: 2 -0.180302899468E+04 0.22174E-04 -0.30249E-04 1920 0.168E-02 0.948E-02
DAV: 3 -0.180302896017E+04 0.34513E-04 -0.17960E-04 1520 0.974E-03 0.369E-02
DAV: 4 -0.180302894055E+04 0.19622E-04 -0.47378E-05 1352 0.959E-03 0.397E-02
DAV: 5 -0.180302890092E+04 0.39624E-04 -0.80213E-05 1712 0.145E-02 0.246E-02
DAV: 6 -0.180302888299E+04 0.17938E-04 -0.82002E-05 1768 0.136E-02 0.187E-02
DAV: 7 -0.180302887866E+04 0.43254E-05 -0.32554E-05 1448 0.678E-03
166 T= 416. E= -.17857684E+04 F= -.18030289E+04 E0= -.18030145E+04 EK= 0.17261E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180308583089E+04 -0.56948E-01 -0.87844E-05 1942 0.244E-02 0.515E-02
DAV: 2 -0.180308583895E+04 -0.80616E-05 -0.20598E-04 1944 0.143E-02 0.762E-02
DAV: 3 -0.180308582491E+04 0.14032E-04 -0.11696E-04 1350 0.820E-03 0.442E-02
DAV: 4 -0.180308582499E+04 -0.77271E-07 -0.37245E-05 1272 0.806E-03
167 T= 417. E= -.17857684E+04 F= -.18030858E+04 E0= -.18030713E+04 EK= 0.17317E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180314305502E+04 -0.57230E-01 -0.26638E-04 1916 0.310E-02 0.429E-02
DAV: 2 -0.180314312480E+04 -0.69784E-04 -0.49335E-04 1944 0.193E-02 0.901E-02
DAV: 3 -0.180314305235E+04 0.72454E-04 -0.23928E-04 1648 0.137E-02 0.432E-02
DAV: 4 -0.180314304680E+04 0.55499E-05 -0.34195E-05 1168 0.493E-03
168 T= 419. E= -.17857684E+04 F= -.18031430E+04 E0= -.18031289E+04 EK= 0.17375E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180320059224E+04 -0.57540E-01 -0.28367E-04 1998 0.323E-02 0.466E-02
DAV: 2 -0.180320065632E+04 -0.64088E-04 -0.50234E-04 2016 0.206E-02 0.107E-01
DAV: 3 -0.180320057667E+04 0.79657E-04 -0.24801E-04 1656 0.132E-02 0.348E-02
DAV: 4 -0.180320057490E+04 0.17704E-05 -0.29769E-05 1200 0.525E-03
169 T= 420. E= -.17857684E+04 F= -.18032006E+04 E0= -.18031866E+04 EK= 0.17432E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180325837491E+04 -0.57798E-01 -0.21685E-04 1958 0.279E-02 0.270E-02
DAV: 2 -0.180325839275E+04 -0.17846E-04 -0.15098E-04 1904 0.157E-02 0.689E-02
DAV: 3 -0.180325836976E+04 0.22993E-04 -0.58451E-05 1224 0.775E-03 0.163E-02
DAV: 4 -0.180325836902E+04 0.73860E-06 -0.24413E-05 1208 0.545E-03
170 T= 422. E= -.17857684E+04 F= -.18032584E+04 E0= -.18032443E+04 EK= 0.17490E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180331644876E+04 -0.58079E-01 -0.15527E-04 2286 0.321E-02 0.233E-02
DAV: 2 -0.180331645938E+04 -0.10617E-04 -0.12624E-04 1864 0.117E-02 0.402E-02
DAV: 3 -0.180331644961E+04 0.97690E-05 -0.43841E-05 1208 0.605E-03
171 T= 423. E= -.17857684E+04 F= -.18033164E+04 E0= -.18033023E+04 EK= 0.17548E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180337487453E+04 -0.58415E-01 -0.22597E-04 2284 0.342E-02 0.666E-02
DAV: 2 -0.180337519030E+04 -0.31577E-03 -0.10757E-03 2400 0.301E-02 0.285E-01
DAV: 3 -0.180337482902E+04 0.36128E-03 -0.73544E-04 1952 0.219E-02 0.190E-02
DAV: 4 -0.180337483433E+04 -0.53188E-05 -0.52296E-05 1568 0.822E-03
172 T= 424. E= -.17857684E+04 F= -.18033748E+04 E0= -.18033608E+04 EK= 0.17606E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180343352379E+04 -0.58695E-01 -0.22332E-04 2038 0.293E-02 0.812E-02
DAV: 2 -0.180343413470E+04 -0.61091E-03 -0.15976E-03 2536 0.388E-02 0.377E-01
DAV: 3 -0.180343345640E+04 0.67830E-03 -0.90570E-04 2224 0.291E-02 0.247E-02
DAV: 4 -0.180343347964E+04 -0.23241E-04 -0.62531E-05 1688 0.746E-03 0.207E-02
DAV: 5 -0.180343347782E+04 0.18199E-05 -0.11174E-05 1032 0.400E-03
173 T= 426. E= -.17857684E+04 F= -.18034335E+04 E0= -.18034194E+04 EK= 0.17665E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180349243509E+04 -0.58955E-01 -0.15288E-04 1968 0.325E-02 0.594E-02
DAV: 2 -0.180349264846E+04 -0.21337E-03 -0.84544E-04 2336 0.277E-02 0.241E-01
DAV: 3 -0.180349241206E+04 0.23640E-03 -0.54410E-04 1888 0.201E-02 0.212E-02
DAV: 4 -0.180349241570E+04 -0.36409E-05 -0.43300E-05 1432 0.688E-03
174 T= 427. E= -.17857683E+04 F= -.18034924E+04 E0= -.18034787E+04 EK= 0.17724E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180355167837E+04 -0.59266E-01 -0.19040E-04 2062 0.323E-02 0.480E-02
DAV: 2 -0.180355172346E+04 -0.45093E-04 -0.54087E-04 1936 0.196E-02 0.118E-01
DAV: 3 -0.180355165251E+04 0.70954E-04 -0.29772E-04 1600 0.132E-02 0.160E-02
DAV: 4 -0.180355164368E+04 0.88263E-05 -0.23944E-05 1328 0.798E-03
175 T= 429. E= -.17857684E+04 F= -.18035516E+04 E0= -.18035379E+04 EK= 0.17783E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180361115812E+04 -0.59506E-01 -0.26325E-04 2030 0.310E-02 0.688E-02
DAV: 2 -0.180361155546E+04 -0.39734E-03 -0.12482E-03 2328 0.312E-02 0.281E-01
DAV: 3 -0.180361111588E+04 0.43958E-03 -0.69160E-04 2152 0.236E-02 0.344E-02
DAV: 4 -0.180361112982E+04 -0.13944E-04 -0.53500E-05 1520 0.713E-03 0.133E-02
DAV: 5 -0.180361113045E+04 -0.62204E-06 -0.98203E-06 976 0.326E-03
176 T= 430. E= -.17857683E+04 F= -.18036111E+04 E0= -.18035974E+04 EK= 0.17843E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180367094818E+04 -0.59818E-01 -0.27844E-04 2006 0.326E-02 0.568E-02
DAV: 2 -0.180367108139E+04 -0.13321E-03 -0.97118E-04 2136 0.244E-02 0.187E-01
DAV: 3 -0.180367092356E+04 0.15783E-03 -0.47969E-04 1888 0.164E-02 0.327E-02
DAV: 4 -0.180367091795E+04 0.56130E-05 -0.50149E-05 1336 0.805E-03
177 T= 431. E= -.17857684E+04 F= -.18036709E+04 E0= -.18036570E+04 EK= 0.17903E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180373100901E+04 -0.60085E-01 -0.13787E-04 1934 0.293E-02 0.284E-02
DAV: 2 -0.180373101847E+04 -0.94649E-05 -0.26808E-04 1944 0.162E-02 0.470E-02
DAV: 3 -0.180373098874E+04 0.29728E-04 -0.10772E-04 1446 0.102E-02 0.173E-02
DAV: 4 -0.180373098490E+04 0.38450E-05 -0.20710E-05 1184 0.576E-03
178 T= 433. E= -.17857684E+04 F= -.18037310E+04 E0= -.18037172E+04 EK= 0.17963E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180379131361E+04 -0.60325E-01 -0.23632E-04 2038 0.299E-02 0.526E-02
DAV: 2 -0.180379142690E+04 -0.11329E-03 -0.66389E-04 1952 0.217E-02 0.189E-01
DAV: 3 -0.180379130347E+04 0.12343E-03 -0.35845E-04 1616 0.153E-02 0.222E-02
DAV: 4 -0.180379130503E+04 -0.15666E-05 -0.29393E-05 1192 0.533E-03
179 T= 434. E= -.17857683E+04 F= -.18037913E+04 E0= -.18037776E+04 EK= 0.18023E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180385192943E+04 -0.60626E-01 -0.20954E-04 2286 0.337E-02 0.371E-02
DAV: 2 -0.180385196453E+04 -0.35096E-04 -0.34587E-04 1928 0.158E-02 0.124E-01
DAV: 3 -0.180385192175E+04 0.42779E-04 -0.15708E-04 1376 0.953E-03 0.190E-02
DAV: 4 -0.180385192258E+04 -0.82850E-06 -0.22028E-05 1168 0.508E-03
180 T= 436. E= -.17857683E+04 F= -.18038519E+04 E0= -.18038384E+04 EK= 0.18084E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180391283569E+04 -0.60914E-01 -0.20834E-04 2150 0.310E-02 0.307E-02
DAV: 2 -0.180391284192E+04 -0.62337E-05 -0.20632E-04 1904 0.142E-02 0.779E-02
DAV: 3 -0.180391282143E+04 0.20497E-04 -0.87557E-05 1260 0.788E-03 0.191E-02
DAV: 4 -0.180391281735E+04 0.40813E-05 -0.21374E-05 1160 0.644E-03
181 T= 437. E= -.17857683E+04 F= -.18039128E+04 E0= -.18038994E+04 EK= 0.18144E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180397397623E+04 -0.61155E-01 -0.26379E-04 2118 0.309E-02 0.365E-02
DAV: 2 -0.180397405539E+04 -0.79165E-04 -0.36176E-04 2080 0.192E-02 0.115E-01
DAV: 3 -0.180397396457E+04 0.90825E-04 -0.18259E-04 1680 0.124E-02 0.288E-02
DAV: 4 -0.180397396679E+04 -0.22159E-05 -0.32296E-05 1184 0.510E-03
182 T= 439. E= -.17857683E+04 F= -.18039740E+04 E0= -.18039606E+04 EK= 0.18206E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180403543006E+04 -0.61465E-01 -0.21712E-04 2214 0.336E-02 0.540E-02
DAV: 2 -0.180403558678E+04 -0.15672E-03 -0.56895E-04 2192 0.224E-02 0.170E-01
DAV: 3 -0.180403540524E+04 0.18154E-03 -0.42412E-04 1904 0.176E-02 0.403E-02
DAV: 4 -0.180403540928E+04 -0.40379E-05 -0.44706E-05 1392 0.581E-03
183 T= 440. E= -.17857683E+04 F= -.18040354E+04 E0= -.18040219E+04 EK= 0.18267E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180409714773E+04 -0.61742E-01 -0.18574E-04 1942 0.320E-02 0.282E-02
DAV: 2 -0.180409715068E+04 -0.29541E-05 -0.15948E-04 1904 0.131E-02 0.484E-02
DAV: 3 -0.180409713199E+04 0.18690E-04 -0.68533E-05 1304 0.809E-03 0.319E-02
DAV: 4 -0.180409712571E+04 0.62764E-05 -0.20019E-05 1112 0.514E-03
184 T= 442. E= -.17857683E+04 F= -.18040971E+04 E0= -.18040836E+04 EK= 0.18329E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180415910820E+04 -0.61976E-01 -0.21413E-04 2022 0.298E-02 0.506E-02
DAV: 2 -0.180415925926E+04 -0.15106E-03 -0.57927E-04 2008 0.227E-02 0.200E-01
DAV: 3 -0.180415908841E+04 0.17084E-03 -0.34622E-04 1784 0.165E-02 0.137E-02
DAV: 4 -0.180415909215E+04 -0.37352E-05 -0.23386E-05 1224 0.556E-03
185 T= 443. E= -.17857683E+04 F= -.18041591E+04 E0= -.18041456E+04 EK= 0.18391E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180422135006E+04 -0.62262E-01 -0.21875E-04 2246 0.339E-02 0.378E-02
DAV: 2 -0.180422137694E+04 -0.26872E-04 -0.29918E-04 1912 0.161E-02 0.104E-01
DAV: 3 -0.180422134346E+04 0.33471E-04 -0.16093E-04 1448 0.101E-02 0.207E-02
DAV: 4 -0.180422134306E+04 0.40745E-06 -0.21562E-05 1168 0.503E-03
186 T= 445. E= -.17857683E+04 F= -.18042213E+04 E0= -.18042081E+04 EK= 0.18453E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180428390529E+04 -0.62562E-01 -0.25477E-04 2206 0.342E-02 0.450E-02
DAV: 2 -0.180428398999E+04 -0.84701E-04 -0.42344E-04 1960 0.205E-02 0.125E-01
DAV: 3 -0.180428387846E+04 0.11153E-03 -0.26825E-04 1736 0.144E-02 0.380E-02
DAV: 4 -0.180428387685E+04 0.16167E-05 -0.43346E-05 1288 0.605E-03
187 T= 446. E= -.17857683E+04 F= -.18042839E+04 E0= -.18042707E+04 EK= 0.18516E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180434666927E+04 -0.62791E-01 -0.23113E-04 2240 0.310E-02 0.387E-02
DAV: 2 -0.180434675353E+04 -0.84261E-04 -0.33561E-04 2104 0.190E-02 0.129E-01
DAV: 3 -0.180434664972E+04 0.10381E-03 -0.20054E-04 1656 0.132E-02 0.258E-02
DAV: 4 -0.180434665218E+04 -0.24567E-05 -0.31441E-05 1248 0.516E-03
188 T= 448. E= -.17857683E+04 F= -.18043467E+04 E0= -.18043336E+04 EK= 0.18578E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180440972278E+04 -0.63073E-01 -0.22990E-04 1974 0.345E-02 0.248E-02
DAV: 2 -0.180440972097E+04 0.18139E-05 -0.15796E-04 1896 0.139E-02 0.399E-02
DAV: 3 -0.180440971131E+04 0.96552E-05 -0.54179E-05 1254 0.702E-03
189 T= 449. E= -.17857683E+04 F= -.18044097E+04 E0= -.18043965E+04 EK= 0.18641E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180447309103E+04 -0.63370E-01 -0.25684E-04 1988 0.365E-02 0.477E-02
DAV: 2 -0.180447326462E+04 -0.17359E-03 -0.60066E-04 2208 0.242E-02 0.202E-01
DAV: 3 -0.180447304929E+04 0.21533E-03 -0.31502E-04 1808 0.166E-02 0.213E-02
DAV: 4 -0.180447304819E+04 0.11072E-05 -0.42865E-05 1488 0.743E-03
190 T= 451. E= -.17857683E+04 F= -.18044730E+04 E0= -.18044597E+04 EK= 0.18705E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180453664098E+04 -0.63592E-01 -0.33200E-04 1958 0.347E-02 0.358E-02
DAV: 2 -0.180453672879E+04 -0.87809E-04 -0.41616E-04 2064 0.207E-02 0.134E-01
DAV: 3 -0.180453661955E+04 0.10924E-03 -0.19934E-04 1774 0.127E-02 0.242E-02
DAV: 4 -0.180453662133E+04 -0.17858E-05 -0.40573E-05 1256 0.600E-03
191 T= 452. E= -.17857683E+04 F= -.18045366E+04 E0= -.18045233E+04 EK= 0.18768E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180460048562E+04 -0.63866E-01 -0.35070E-04 1950 0.370E-02 0.306E-02
DAV: 2 -0.180460050747E+04 -0.21852E-04 -0.28377E-04 1952 0.181E-02 0.695E-02
DAV: 3 -0.180460047477E+04 0.32695E-04 -0.98134E-05 1536 0.950E-03 0.267E-02
DAV: 4 -0.180460047388E+04 0.88950E-06 -0.27246E-05 1160 0.565E-03
192 T= 454. E= -.17857683E+04 F= -.18046005E+04 E0= -.18045876E+04 EK= 0.18832E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180466461997E+04 -0.64145E-01 -0.30426E-04 2214 0.371E-02 0.381E-02
DAV: 2 -0.180466463849E+04 -0.18521E-04 -0.30516E-04 1904 0.169E-02 0.100E-01
DAV: 3 -0.180466460512E+04 0.33362E-04 -0.15110E-04 1334 0.976E-03 0.227E-02
DAV: 4 -0.180466460194E+04 0.31842E-05 -0.30626E-05 1264 0.713E-03
193 T= 455. E= -.17857683E+04 F= -.18046646E+04 E0= -.18046518E+04 EK= 0.18896E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180472898936E+04 -0.64384E-01 -0.29311E-04 2334 0.339E-02 0.522E-02
DAV: 2 -0.180472902388E+04 -0.34520E-04 -0.49094E-04 2232 0.189E-02 0.127E-01
DAV: 3 -0.180472896969E+04 0.54191E-04 -0.29678E-04 1584 0.126E-02 0.287E-02
DAV: 4 -0.180472896916E+04 0.53034E-06 -0.30678E-05 1248 0.595E-03
194 T= 457. E= -.17857683E+04 F= -.18047290E+04 E0= -.18047161E+04 EK= 0.18961E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180479365000E+04 -0.64680E-01 -0.33748E-04 1926 0.366E-02 0.429E-02
DAV: 2 -0.180479368339E+04 -0.33385E-04 -0.39424E-04 1968 0.207E-02 0.921E-02
DAV: 3 -0.180479362195E+04 0.61432E-04 -0.21272E-04 1848 0.128E-02 0.346E-02
DAV: 4 -0.180479361799E+04 0.39661E-05 -0.42926E-05 1224 0.655E-03
195 T= 459. E= -.17857683E+04 F= -.18047936E+04 E0= -.18047806E+04 EK= 0.19025E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180485856870E+04 -0.64947E-01 -0.22970E-04 2470 0.357E-02 0.458E-02
DAV: 2 -0.180485863486E+04 -0.66167E-04 -0.36148E-04 2160 0.196E-02 0.127E-01
DAV: 3 -0.180485853102E+04 0.10385E-03 -0.23263E-04 1720 0.142E-02 0.374E-02
DAV: 4 -0.180485852653E+04 0.44907E-05 -0.46591E-05 1368 0.665E-03
196 T= 460. E= -.17857683E+04 F= -.18048585E+04 E0= -.18048455E+04 EK= 0.19090E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180492368639E+04 -0.65155E-01 -0.21935E-04 2206 0.334E-02 0.344E-02
DAV: 2 -0.180492369783E+04 -0.11438E-04 -0.28486E-04 1968 0.161E-02 0.803E-02
DAV: 3 -0.180492367004E+04 0.27794E-04 -0.13938E-04 1352 0.947E-03 0.141E-02
DAV: 4 -0.180492366762E+04 0.24195E-05 -0.23053E-05 1184 0.656E-03
197 T= 462. E= -.17857683E+04 F= -.18049237E+04 E0= -.18049107E+04 EK= 0.19155E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180498910450E+04 -0.65434E-01 -0.21265E-04 2134 0.351E-02 0.365E-02
DAV: 2 -0.180498911236E+04 -0.78589E-05 -0.25164E-04 1920 0.169E-02 0.623E-02
DAV: 3 -0.180498909047E+04 0.21889E-04 -0.12347E-04 1496 0.971E-03 0.198E-02
DAV: 4 -0.180498908780E+04 0.26709E-05 -0.26818E-05 1208 0.687E-03
198 T= 463. E= -.17857683E+04 F= -.18049891E+04 E0= -.18049764E+04 EK= 0.19221E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180505479454E+04 -0.65704E-01 -0.21616E-04 2382 0.361E-02 0.337E-02
DAV: 2 -0.180505478576E+04 0.87730E-05 -0.17837E-04 2032 0.155E-02 0.670E-02
DAV: 3 -0.180505477132E+04 0.14440E-04 -0.10073E-04 1416 0.861E-03 0.264E-02
DAV: 4 -0.180505476556E+04 0.57657E-05 -0.27102E-05 1264 0.771E-03
199 T= 465. E= -.17857683E+04 F= -.18050548E+04 E0= -.18050422E+04 EK= 0.19286E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180512072239E+04 -0.65951E-01 -0.18357E-04 2592 0.337E-02 0.343E-02
DAV: 2 -0.180512074167E+04 -0.19282E-04 -0.25416E-04 2184 0.174E-02 0.811E-02
DAV: 3 -0.180512069437E+04 0.47303E-04 -0.13720E-04 1520 0.108E-02 0.312E-02
DAV: 4 -0.180512069158E+04 0.27850E-05 -0.30108E-05 1136 0.550E-03
200 T= 466. E= -.17857683E+04 F= -.18051207E+04 E0= -.18051082E+04 EK= 0.19352E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180518692767E+04 -0.66233E-01 -0.18579E-04 2184 0.347E-02 0.363E-02
DAV: 2 -0.180518692698E+04 0.68646E-06 -0.28790E-04 1984 0.165E-02 0.723E-02
DAV: 3 -0.180518689126E+04 0.35722E-04 -0.14751E-04 1456 0.103E-02 0.199E-02
DAV: 4 -0.180518688609E+04 0.51694E-05 -0.31229E-05 1224 0.677E-03
201 T= 468. E= -.17857683E+04 F= -.18051869E+04 E0= -.18051741E+04 EK= 0.19419E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180525336020E+04 -0.66469E-01 -0.22477E-04 2392 0.370E-02 0.435E-02
DAV: 2 -0.180525336988E+04 -0.96756E-05 -0.34213E-04 1928 0.173E-02 0.112E-01
DAV: 3 -0.180525332949E+04 0.40381E-04 -0.19563E-04 1536 0.109E-02 0.239E-02
DAV: 4 -0.180525332492E+04 0.45703E-05 -0.34306E-05 1264 0.719E-03
202 T= 470. E= -.17857683E+04 F= -.18052533E+04 E0= -.18052405E+04 EK= 0.19485E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180532004334E+04 -0.66714E-01 -0.19132E-04 2598 0.358E-02 0.325E-02
DAV: 2 -0.180532003336E+04 0.99845E-05 -0.20521E-04 2064 0.152E-02 0.649E-02
DAV: 3 -0.180532001565E+04 0.17705E-04 -0.10837E-04 1358 0.871E-03 0.184E-02
DAV: 4 -0.180532000990E+04 0.57532E-05 -0.25013E-05 1184 0.744E-03
203 T= 471. E= -.17857683E+04 F= -.18053200E+04 E0= -.18053072E+04 EK= 0.19552E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180538698378E+04 -0.66968E-01 -0.21965E-04 2200 0.347E-02 0.404E-02
DAV: 2 -0.180538704778E+04 -0.63997E-04 -0.35780E-04 2080 0.207E-02 0.119E-01
DAV: 3 -0.180538695703E+04 0.90751E-04 -0.19174E-04 1816 0.127E-02 0.276E-02
DAV: 4 -0.180538695581E+04 0.12215E-05 -0.41947E-05 1304 0.633E-03
204 T= 473. E= -.17857683E+04 F= -.18053870E+04 E0= -.18053744E+04 EK= 0.19619E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180545417353E+04 -0.67216E-01 -0.27243E-04 2168 0.385E-02 0.410E-02
DAV: 2 -0.180545421663E+04 -0.43102E-04 -0.38136E-04 2008 0.186E-02 0.947E-02
DAV: 3 -0.180545415082E+04 0.65812E-04 -0.20940E-04 1688 0.127E-02 0.328E-02
DAV: 4 -0.180545414825E+04 0.25645E-05 -0.36814E-05 1224 0.602E-03
205 T= 474. E= -.17857683E+04 F= -.18054541E+04 E0= -.18054417E+04 EK= 0.19686E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180552163355E+04 -0.67483E-01 -0.25745E-04 2414 0.382E-02 0.441E-02
DAV: 2 -0.180552166146E+04 -0.27909E-04 -0.47364E-04 2048 0.192E-02 0.949E-02
DAV: 3 -0.180552160015E+04 0.61307E-04 -0.25556E-04 1702 0.134E-02 0.254E-02
DAV: 4 -0.180552159608E+04 0.40707E-05 -0.28994E-05 1200 0.642E-03
206 T= 476. E= -.17857683E+04 F= -.18055216E+04 E0= -.18055094E+04 EK= 0.19753E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180558933569E+04 -0.67736E-01 -0.31069E-04 2088 0.367E-02 0.360E-02
DAV: 2 -0.180558932752E+04 0.81662E-05 -0.27313E-04 1944 0.177E-02 0.843E-02
DAV: 3 -0.180558930139E+04 0.26127E-04 -0.11704E-04 1432 0.950E-03 0.219E-02
DAV: 4 -0.180558929239E+04 0.89994E-05 -0.30819E-05 1288 0.701E-03
207 T= 478. E= -.17857683E+04 F= -.18055893E+04 E0= -.18055769E+04 EK= 0.19821E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180565726643E+04 -0.67965E-01 -0.28692E-04 2552 0.400E-02 0.364E-02
DAV: 2 -0.180565727012E+04 -0.36897E-05 -0.25996E-04 2136 0.172E-02 0.710E-02
DAV: 3 -0.180565723348E+04 0.36633E-04 -0.13380E-04 1584 0.107E-02 0.321E-02
DAV: 4 -0.180565722724E+04 0.62477E-05 -0.31594E-05 1168 0.605E-03
208 T= 479. E= -.17857683E+04 F= -.18056572E+04 E0= -.18056447E+04 EK= 0.19889E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180572545984E+04 -0.68226E-01 -0.22887E-04 2622 0.416E-02 0.487E-02
DAV: 2 -0.180572548884E+04 -0.28995E-04 -0.53386E-04 2160 0.198E-02 0.106E-01
DAV: 3 -0.180572542200E+04 0.66836E-04 -0.30266E-04 1584 0.136E-02 0.168E-02
DAV: 4 -0.180572541463E+04 0.73716E-05 -0.33380E-05 1384 0.953E-03
209 T= 481. E= -.17857683E+04 F= -.18057254E+04 E0= -.18057126E+04 EK= 0.19957E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180579389394E+04 -0.68472E-01 -0.22229E-04 2118 0.352E-02 0.469E-02
DAV: 2 -0.180579390543E+04 -0.11490E-04 -0.39397E-04 1960 0.188E-02 0.117E-01
DAV: 3 -0.180579385989E+04 0.45539E-04 -0.22611E-04 1664 0.120E-02 0.275E-02
DAV: 4 -0.180579385255E+04 0.73391E-05 -0.41779E-05 1328 0.786E-03
210 T= 483. E= -.17857683E+04 F= -.18057939E+04 E0= -.18057812E+04 EK= 0.20026E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180586253920E+04 -0.68679E-01 -0.27249E-04 2430 0.407E-02 0.313E-02
DAV: 2 -0.180586252187E+04 0.17328E-04 -0.15530E-04 2064 0.155E-02 0.384E-02
DAV: 3 -0.180586251434E+04 0.75340E-05 -0.79892E-05 1472 0.862E-03
211 T= 484. E= -.17857683E+04 F= -.18058625E+04 E0= -.18058502E+04 EK= 0.20094E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180593149767E+04 -0.68976E-01 -0.33210E-04 2534 0.466E-02 0.388E-02
DAV: 2 -0.180593149017E+04 0.75017E-05 -0.32346E-04 2032 0.201E-02 0.723E-02
DAV: 3 -0.180593145336E+04 0.36814E-04 -0.17192E-04 1832 0.119E-02 0.257E-02
DAV: 4 -0.180593144522E+04 0.81356E-05 -0.36763E-05 1232 0.825E-03
212 T= 486. E= -.17857683E+04 F= -.18059314E+04 E0= -.18059196E+04 EK= 0.20163E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180600067202E+04 -0.69219E-01 -0.35512E-04 2182 0.380E-02 0.479E-02
DAV: 2 -0.180600066610E+04 0.59108E-05 -0.48345E-04 1992 0.208E-02 0.107E-01
DAV: 3 -0.180600061936E+04 0.46740E-04 -0.24461E-04 1736 0.121E-02 0.252E-02
DAV: 4 -0.180600061031E+04 0.90549E-05 -0.39491E-05 1320 0.869E-03
213 T= 488. E= -.17857683E+04 F= -.18060006E+04 E0= -.18059886E+04 EK= 0.20232E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180607004324E+04 -0.69424E-01 -0.30846E-04 2560 0.442E-02 0.469E-02
DAV: 2 -0.180607010649E+04 -0.63254E-04 -0.49779E-04 2248 0.219E-02 0.121E-01
DAV: 3 -0.180606999990E+04 0.10659E-03 -0.27477E-04 1910 0.150E-02 0.434E-02
DAV: 4 -0.180606999570E+04 0.42049E-05 -0.45489E-05 1248 0.641E-03
214 T= 489. E= -.17857683E+04 F= -.18060700E+04 E0= -.18060577E+04 EK= 0.20302E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180613970055E+04 -0.69701E-01 -0.26285E-04 2438 0.498E-02 0.491E-02
DAV: 2 -0.180613973583E+04 -0.35288E-04 -0.57350E-04 2104 0.214E-02 0.105E-01
DAV: 3 -0.180613965656E+04 0.79273E-04 -0.31758E-04 1856 0.149E-02 0.280E-02
DAV: 4 -0.180613965139E+04 0.51703E-05 -0.37647E-05 1304 0.756E-03
215 T= 491. E= -.17857683E+04 F= -.18061397E+04 E0= -.18061268E+04 EK= 0.20371E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180620961373E+04 -0.69957E-01 -0.27740E-04 2198 0.408E-02 0.472E-02
DAV: 2 -0.180620960255E+04 0.11187E-04 -0.45656E-04 1952 0.197E-02 0.993E-02
DAV: 3 -0.180620955924E+04 0.43302E-04 -0.22070E-04 1576 0.115E-02 0.248E-02
DAV: 4 -0.180620954175E+04 0.17498E-04 -0.38672E-05 1352 0.106E-02 0.339E-02
DAV: 5 -0.180620952223E+04 0.19522E-04 -0.46006E-05 1416 0.928E-03 0.178E-02
DAV: 6 -0.180620950106E+04 0.21162E-04 -0.18070E-05 1296 0.936E-03 0.104E-02
DAV: 7 -0.180620948735E+04 0.13717E-04 -0.39981E-05 1568 0.114E-02 0.105E-02
DAV: 8 -0.180620948149E+04 0.58553E-05 -0.32841E-05 1544 0.101E-02
216 T= 493. E= -.17857682E+04 F= -.18062095E+04 E0= -.18061972E+04 EK= 0.20441E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180627979982E+04 -0.70312E-01 -0.28906E-04 2230 0.783E-02 0.350E-02
DAV: 2 -0.180627972718E+04 0.72644E-04 -0.35686E-04 1984 0.230E-02 0.553E-02
DAV: 3 -0.180627970442E+04 0.22763E-04 -0.11486E-04 1808 0.108E-02 0.304E-02
DAV: 4 -0.180627966240E+04 0.42014E-04 -0.61759E-05 1592 0.161E-02 0.427E-02
DAV: 5 -0.180627963630E+04 0.26099E-04 -0.11646E-04 1904 0.161E-02 0.361E-02
DAV: 6 -0.180627960832E+04 0.27978E-04 -0.47125E-05 1560 0.126E-02 0.144E-02
DAV: 7 -0.180627960165E+04 0.66791E-05 -0.46064E-05 1592 0.953E-03
217 T= 494. E= -.17857682E+04 F= -.18062796E+04 E0= -.18062675E+04 EK= 0.20511E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180634995236E+04 -0.70344E-01 -0.27759E-04 2030 0.393E-02 0.494E-02
DAV: 2 -0.180634997475E+04 -0.22394E-04 -0.26703E-04 1944 0.170E-02 0.738E-02
DAV: 3 -0.180634995349E+04 0.21263E-04 -0.10545E-04 1350 0.877E-03 0.462E-02
DAV: 4 -0.180634994976E+04 0.37335E-05 -0.26750E-05 1064 0.564E-03
218 T= 496. E= -.17857682E+04 F= -.18063499E+04 E0= -.18063378E+04 EK= 0.20582E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180642064205E+04 -0.70689E-01 -0.95027E-04 1934 0.406E-02 0.803E-02
DAV: 2 -0.180642097772E+04 -0.33567E-03 -0.32562E-03 2656 0.505E-02 0.221E-01
DAV: 3 -0.180642056062E+04 0.41710E-03 -0.12520E-03 2294 0.324E-02 0.700E-02
DAV: 4 -0.180642054520E+04 0.15421E-04 -0.23565E-04 1888 0.119E-02 0.206E-02
DAV: 5 -0.180642054384E+04 0.13560E-05 -0.34615E-05 1246 0.695E-03
219 T= 498. E= -.17857683E+04 F= -.18064205E+04 E0= -.18064081E+04 EK= 0.20652E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180649144534E+04 -0.70900E-01 -0.43804E-04 2078 0.372E-02 0.798E-02
DAV: 2 -0.180649180470E+04 -0.35936E-03 -0.27108E-03 2584 0.477E-02 0.234E-01
DAV: 3 -0.180649138212E+04 0.42258E-03 -0.11723E-03 2296 0.316E-02 0.699E-02
DAV: 4 -0.180649136972E+04 0.12407E-04 -0.21517E-04 1784 0.117E-02 0.214E-02
DAV: 5 -0.180649136556E+04 0.41551E-05 -0.31247E-05 1232 0.747E-03
220 T= 499. E= -.17857683E+04 F= -.18064914E+04 E0= -.18064790E+04 EK= 0.20723E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180656242451E+04 -0.71055E-01 -0.30869E-04 1990 0.303E-02 0.535E-02
DAV: 2 -0.180656257063E+04 -0.14612E-03 -0.99591E-04 2224 0.257E-02 0.135E-01
DAV: 3 -0.180656241253E+04 0.15810E-03 -0.39085E-04 1996 0.181E-02 0.570E-02
DAV: 4 -0.180656240485E+04 0.76704E-05 -0.81418E-05 1360 0.644E-03
221 T= 501. E= -.17857682E+04 F= -.18065624E+04 E0= -.18065502E+04 EK= 0.20794E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180663371176E+04 -0.71299E-01 -0.27594E-04 2078 0.371E-02 0.636E-02
DAV: 2 -0.180663382537E+04 -0.11361E-03 -0.10593E-03 2216 0.261E-02 0.157E-01
DAV: 3 -0.180663368850E+04 0.13686E-03 -0.58552E-04 1936 0.177E-02 0.109E-02
DAV: 4 -0.180663369148E+04 -0.29788E-05 -0.21663E-05 1304 0.584E-03
222 T= 503. E= -.17857682E+04 F= -.18066337E+04 E0= -.18066217E+04 EK= 0.20865E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180670524167E+04 -0.71553E-01 -0.13133E-04 1942 0.346E-02 0.465E-02
DAV: 2 -0.180670534720E+04 -0.10553E-03 -0.64048E-04 2136 0.234E-02 0.177E-01
DAV: 3 -0.180670522241E+04 0.12480E-03 -0.32448E-04 1816 0.152E-02 0.229E-02
DAV: 4 -0.180670522126E+04 0.11436E-05 -0.44849E-05 1288 0.710E-03
223 T= 505. E= -.17857683E+04 F= -.18067052E+04 E0= -.18066935E+04 EK= 0.20937E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180677695665E+04 -0.71734E-01 -0.13795E-04 1998 0.284E-02 0.315E-02
DAV: 2 -0.180677702411E+04 -0.67462E-04 -0.36800E-04 1992 0.169E-02 0.132E-01
DAV: 3 -0.180677695029E+04 0.73825E-04 -0.16212E-04 1584 0.108E-02 0.184E-02
DAV: 4 -0.180677695046E+04 -0.17224E-06 -0.13273E-05 1048 0.397E-03
224 T= 506. E= -.17857682E+04 F= -.18067770E+04 E0= -.18067652E+04 EK= 0.21009E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180684891442E+04 -0.71964E-01 -0.19042E-04 2134 0.379E-02 0.370E-02
DAV: 2 -0.180684894843E+04 -0.34012E-04 -0.46352E-04 1952 0.152E-02 0.860E-02
DAV: 3 -0.180684891837E+04 0.30060E-04 -0.19904E-04 1408 0.865E-03 0.221E-02
DAV: 4 -0.180684891611E+04 0.22654E-05 -0.13758E-05 1016 0.395E-03
225 T= 508. E= -.17857682E+04 F= -.18068489E+04 E0= -.18068368E+04 EK= 0.21081E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180692115750E+04 -0.72239E-01 -0.11819E-04 2398 0.429E-02 0.375E-02
DAV: 2 -0.180692122582E+04 -0.68329E-04 -0.40836E-04 1992 0.193E-02 0.106E-01
DAV: 3 -0.180692114021E+04 0.85610E-04 -0.20803E-04 1728 0.128E-02 0.309E-02
DAV: 4 -0.180692113695E+04 0.32648E-05 -0.33457E-05 1208 0.549E-03
226 T= 510. E= -.17857683E+04 F= -.18069211E+04 E0= -.18069086E+04 EK= 0.21153E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180699358953E+04 -0.72449E-01 -0.21225E-04 2134 0.325E-02 0.526E-02
DAV: 2 -0.180699373261E+04 -0.14307E-03 -0.65308E-04 2176 0.233E-02 0.165E-01
DAV: 3 -0.180699356131E+04 0.17129E-03 -0.39781E-04 1846 0.173E-02 0.362E-02
DAV: 4 -0.180699356211E+04 -0.80383E-06 -0.32810E-05 1384 0.585E-03
227 T= 512. E= -.17857683E+04 F= -.18069936E+04 E0= -.18069811E+04 EK= 0.21225E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180706617732E+04 -0.72616E-01 -0.23657E-04 1996 0.356E-02 0.247E-02
DAV: 2 -0.180706619738E+04 -0.20059E-04 -0.21582E-04 1888 0.145E-02 0.540E-02
DAV: 3 -0.180706618102E+04 0.16362E-04 -0.73569E-05 1256 0.748E-03 0.109E-02
DAV: 4 -0.180706618003E+04 0.99219E-06 -0.92968E-06 976 0.406E-03
228 T= 513. E= -.17857682E+04 F= -.18070662E+04 E0= -.18070541E+04 EK= 0.21298E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180713908634E+04 -0.72905E-01 -0.12908E-04 2350 0.485E-02 0.285E-02
DAV: 2 -0.180713911240E+04 -0.26061E-04 -0.28808E-04 1968 0.168E-02 0.706E-02
DAV: 3 -0.180713907261E+04 0.39792E-04 -0.11484E-04 1440 0.985E-03 0.225E-02
DAV: 4 -0.180713906958E+04 0.30289E-05 -0.19096E-05 1104 0.558E-03
229 T= 515. E= -.17857682E+04 F= -.18071391E+04 E0= -.18071276E+04 EK= 0.21371E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180721224056E+04 -0.73168E-01 -0.19620E-04 2288 0.408E-02 0.342E-02
DAV: 2 -0.180721225669E+04 -0.16132E-04 -0.29477E-04 2016 0.182E-02 0.884E-02
DAV: 3 -0.180721220006E+04 0.56625E-04 -0.13804E-04 1496 0.106E-02 0.268E-02
DAV: 4 -0.180721218936E+04 0.10700E-04 -0.31714E-05 1272 0.744E-03 0.227E-02
DAV: 5 -0.180721216513E+04 0.24236E-04 -0.29582E-05 1400 0.126E-02 0.135E-02
DAV: 6 -0.180721214646E+04 0.18670E-04 -0.37024E-05 1736 0.136E-02 0.904E-03
DAV: 7 -0.180721214143E+04 0.50279E-05 -0.39066E-05 1688 0.106E-02