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
230 T= 517. E= -.17857682E+04 F= -.18072121E+04 E0= -.18072003E+04 EK= 0.21444E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180728555312E+04 -0.73407E-01 0.70769E-05 1534 0.702E-02 0.326E-02
DAV: 2 -0.180728553505E+04 0.18076E-04 -0.21464E-04 2088 0.181E-02 0.472E-02
DAV: 3 -0.180728552203E+04 0.13015E-04 -0.60726E-05 1568 0.803E-03 0.305E-02
DAV: 4 -0.180728550866E+04 0.13369E-04 -0.17875E-05 1208 0.732E-03 0.311E-02
DAV: 5 -0.180728549018E+04 0.18479E-04 -0.48897E-05 1544 0.110E-02 0.385E-02
DAV: 6 -0.180728545896E+04 0.31225E-04 -0.68439E-05 1824 0.189E-02 0.168E-02
DAV: 7 -0.180728545869E+04 0.26895E-06 -0.80885E-05 1744 0.100E-02
231 T= 519. E= -.17857682E+04 F= -.18072855E+04 E0= -.18072734E+04 EK= 0.21517E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180735901724E+04 -0.73558E-01 -0.29110E-04 1894 0.325E-02 0.709E-02
DAV: 2 -0.180735903266E+04 -0.15417E-04 -0.33426E-04 1920 0.192E-02 0.964E-02
DAV: 3 -0.180735900603E+04 0.26631E-04 -0.20318E-04 1560 0.122E-02 0.568E-02
DAV: 4 -0.180735899431E+04 0.11715E-04 -0.50568E-05 1272 0.954E-03 0.229E-02
DAV: 5 -0.180735899429E+04 0.28347E-07 -0.79219E-05 1240 0.742E-03
232 T= 520. E= -.17857682E+04 F= -.18073590E+04 E0= -.18073468E+04 EK= 0.21591E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180743274772E+04 -0.73753E-01 -0.25834E-04 1854 0.342E-02 0.553E-02
DAV: 2 -0.180743278742E+04 -0.39701E-04 -0.33545E-04 1968 0.178E-02 0.887E-02
DAV: 3 -0.180743274666E+04 0.40755E-04 -0.20242E-04 1510 0.123E-02 0.451E-02
DAV: 4 -0.180743274266E+04 0.40043E-05 -0.59952E-05 1256 0.800E-03
233 T= 522. E= -.17857682E+04 F= -.18074327E+04 E0= -.18074209E+04 EK= 0.21665E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180750675159E+04 -0.74005E-01 -0.26117E-04 2352 0.388E-02 0.524E-02
DAV: 2 -0.180750684802E+04 -0.96432E-04 -0.69975E-04 2240 0.234E-02 0.124E-01
DAV: 3 -0.180750672620E+04 0.12182E-03 -0.37262E-04 1936 0.166E-02 0.463E-02
DAV: 4 -0.180750672325E+04 0.29465E-05 -0.42331E-05 1264 0.620E-03
234 T= 524. E= -.17857682E+04 F= -.18075067E+04 E0= -.18074953E+04 EK= 0.21738E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180758093050E+04 -0.74204E-01 -0.33475E-04 1982 0.326E-02 0.535E-02
DAV: 2 -0.180758098974E+04 -0.59247E-04 -0.73352E-04 2048 0.229E-02 0.130E-01
DAV: 3 -0.180758090475E+04 0.84992E-04 -0.38342E-04 1608 0.148E-02 0.180E-02
DAV: 4 -0.180758090593E+04 -0.11781E-05 -0.32219E-05 1328 0.684E-03
235 T= 526. E= -.17857682E+04 F= -.18075809E+04 E0= -.18075694E+04 EK= 0.21813E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180765529225E+04 -0.74388E-01 -0.17217E-04 2254 0.354E-02 0.390E-02
DAV: 2 -0.180765531196E+04 -0.19710E-04 -0.20626E-04 1912 0.145E-02 0.590E-02
DAV: 3 -0.180765529139E+04 0.20574E-04 -0.12957E-04 1406 0.982E-03 0.226E-02
DAV: 4 -0.180765529204E+04 -0.64899E-06 -0.25740E-05 1080 0.543E-03
236 T= 527. E= -.17857682E+04 F= -.18076553E+04 E0= -.18076436E+04 EK= 0.21887E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180772993172E+04 -0.74640E-01 -0.93284E-05 2476 0.439E-02 0.283E-02
DAV: 2 -0.180772993283E+04 -0.11091E-05 -0.12320E-04 1928 0.136E-02 0.536E-02
DAV: 3 -0.180772991928E+04 0.13553E-04 -0.64931E-05 1384 0.786E-03 0.223E-02
DAV: 4 -0.180772991273E+04 0.65415E-05 -0.16579E-05 1088 0.731E-03
237 T= 529. E= -.17857682E+04 F= -.18077299E+04 E0= -.18077178E+04 EK= 0.21962E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180780478229E+04 -0.74863E-01 -0.17424E-04 2558 0.353E-02 0.426E-02
DAV: 2 -0.180780480466E+04 -0.22364E-04 -0.31019E-04 2224 0.203E-02 0.767E-02
DAV: 3 -0.180780475510E+04 0.49558E-04 -0.20834E-04 1792 0.129E-02 0.343E-02
DAV: 4 -0.180780475084E+04 0.42577E-05 -0.39375E-05 1248 0.738E-03
238 T= 531. E= -.17857682E+04 F= -.18078048E+04 E0= -.18077923E+04 EK= 0.22037E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180787977682E+04 -0.75022E-01 -0.14181E-04 1888 0.297E-02 0.258E-02
DAV: 2 -0.180787978817E+04 -0.11354E-04 -0.21267E-04 1848 0.149E-02 0.665E-02
DAV: 3 -0.180787977061E+04 0.17567E-04 -0.90356E-05 1312 0.749E-03 0.113E-02
DAV: 4 -0.180787977015E+04 0.45495E-06 -0.11332E-05 976 0.430E-03
239 T= 533. E= -.17857682E+04 F= -.18078798E+04 E0= -.18078677E+04 EK= 0.22112E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180795502084E+04 -0.75250E-01 -0.86087E-05 1966 0.405E-02 0.228E-02
DAV: 2 -0.180795503387E+04 -0.13025E-04 -0.21208E-04 1912 0.127E-02 0.520E-02
DAV: 3 -0.180795501724E+04 0.16623E-04 -0.73057E-05 1246 0.673E-03 0.153E-02
DAV: 4 -0.180795501636E+04 0.88365E-06 -0.87422E-06 968 0.357E-03
240 T= 535. E= -.17857682E+04 F= -.18079550E+04 E0= -.18079434E+04 EK= 0.22187E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180803053005E+04 -0.75513E-01 -0.13972E-04 2398 0.411E-02 0.431E-02
DAV: 2 -0.180803054568E+04 -0.15632E-04 -0.38261E-04 2032 0.163E-02 0.974E-02
DAV: 3 -0.180803050289E+04 0.42796E-04 -0.22228E-04 1432 0.111E-02 0.215E-02
DAV: 4 -0.180803049725E+04 0.56368E-05 -0.23847E-05 1216 0.689E-03
241 T= 537. E= -.17857682E+04 F= -.18080305E+04 E0= -.18080192E+04 EK= 0.22262E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180810615997E+04 -0.75657E-01 -0.23124E-04 2334 0.319E-02 0.324E-02
DAV: 2 -0.180810616623E+04 -0.62621E-05 -0.22644E-04 1992 0.169E-02 0.605E-02
DAV: 3 -0.180810614417E+04 0.22059E-04 -0.12777E-04 1496 0.974E-03 0.198E-02
DAV: 4 -0.180810614243E+04 0.17402E-05 -0.20164E-05 1216 0.551E-03
242 T= 538. E= -.17857682E+04 F= -.18081061E+04 E0= -.18080946E+04 EK= 0.22338E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180818201181E+04 -0.75868E-01 -0.17968E-04 2408 0.435E-02 0.463E-02
DAV: 2 -0.180818213262E+04 -0.12080E-03 -0.50288E-04 2168 0.232E-02 0.162E-01
DAV: 3 -0.180818199548E+04 0.13714E-03 -0.31243E-04 1896 0.156E-02 0.141E-02
DAV: 4 -0.180818199991E+04 -0.44379E-05 -0.21352E-05 1240 0.546E-03
243 T= 540. E= -.17857682E+04 F= -.18081820E+04 E0= -.18081701E+04 EK= 0.22414E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180825814718E+04 -0.76152E-01 -0.51722E-05 1944 0.500E-02 0.481E-02
DAV: 2 -0.180825826904E+04 -0.12186E-03 -0.58983E-04 2352 0.230E-02 0.157E-01
DAV: 3 -0.180825811080E+04 0.15824E-03 -0.38407E-04 1832 0.164E-02 0.280E-02
DAV: 4 -0.180825810890E+04 0.18933E-05 -0.41386E-05 1352 0.656E-03
244 T= 542. E= -.17857682E+04 F= -.18082581E+04 E0= -.18082457E+04 EK= 0.22490E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180833441575E+04 -0.76305E-01 -0.34927E-04 2160 0.342E-02 0.493E-02
DAV: 2 -0.180833450035E+04 -0.84597E-04 -0.69388E-04 2208 0.256E-02 0.122E-01
DAV: 3 -0.180833438049E+04 0.11986E-03 -0.35708E-04 1974 0.161E-02 0.392E-02
DAV: 4 -0.180833437844E+04 0.20423E-05 -0.48640E-05 1288 0.678E-03
245 T= 544. E= -.17857682E+04 F= -.18083344E+04 E0= -.18083222E+04 EK= 0.22566E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180841083609E+04 -0.76456E-01 -0.31193E-04 2420 0.432E-02 0.312E-02
DAV: 2 -0.180841086112E+04 -0.25027E-04 -0.33579E-04 1920 0.188E-02 0.866E-02
DAV: 3 -0.180841083295E+04 0.28163E-04 -0.13833E-04 1640 0.985E-03 0.170E-02
DAV: 4 -0.180841083383E+04 -0.87527E-06 -0.19783E-05 1048 0.465E-03
246 T= 546. E= -.17857682E+04 F= -.18084108E+04 E0= -.18083991E+04 EK= 0.22643E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180848756841E+04 -0.76735E-01 -0.22990E-04 2556 0.500E-02 0.358E-02
DAV: 2 -0.180848757367E+04 -0.52597E-05 -0.28916E-04 1960 0.159E-02 0.732E-02
DAV: 3 -0.180848754579E+04 0.27882E-04 -0.14267E-04 1446 0.976E-03 0.152E-02
DAV: 4 -0.180848753689E+04 0.88997E-05 -0.22030E-05 1208 0.765E-03
247 T= 548. E= -.17857682E+04 F= -.18084875E+04 E0= -.18084762E+04 EK= 0.22719E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180856450164E+04 -0.76956E-01 -0.23578E-04 2430 0.395E-02 0.654E-02
DAV: 2 -0.180856473622E+04 -0.23458E-03 -0.10961E-03 2536 0.303E-02 0.207E-01
DAV: 3 -0.180856444280E+04 0.29342E-03 -0.72593E-04 2128 0.219E-02 0.391E-02
DAV: 4 -0.180856444377E+04 -0.97367E-06 -0.74449E-05 1504 0.811E-03
248 T= 549. E= -.17857682E+04 F= -.18085644E+04 E0= -.18085532E+04 EK= 0.22796E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180864150252E+04 -0.77060E-01 -0.24702E-04 2510 0.430E-02 0.521E-02
DAV: 2 -0.180864171641E+04 -0.21389E-03 -0.86876E-04 2448 0.265E-02 0.189E-01
DAV: 3 -0.180864147500E+04 0.24141E-03 -0.45008E-04 1956 0.188E-02 0.317E-02
DAV: 4 -0.180864148199E+04 -0.69892E-05 -0.51019E-05 1560 0.618E-03
249 T= 551. E= -.17857682E+04 F= -.18086415E+04 E0= -.18086300E+04 EK= 0.22873E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180871879900E+04 -0.77324E-01 -0.21070E-04 2214 0.542E-02 0.336E-02
DAV: 2 -0.180871880470E+04 -0.56984E-05 -0.31464E-04 1936 0.177E-02 0.659E-02
DAV: 3 -0.180871878348E+04 0.21217E-04 -0.12229E-04 1416 0.950E-03 0.196E-02
DAV: 4 -0.180871877853E+04 0.49441E-05 -0.21711E-05 1176 0.650E-03
250 T= 553. E= -.17857682E+04 F= -.18087188E+04 E0= -.18087067E+04 EK= 0.22951E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180879636851E+04 -0.77585E-01 -0.10163E-04 2214 0.535E-02 0.387E-02
DAV: 2 -0.180879636839E+04 0.12117E-06 -0.37012E-04 2048 0.201E-02 0.795E-02
DAV: 3 -0.180879631809E+04 0.50304E-04 -0.16237E-04 1824 0.118E-02 0.288E-02
DAV: 4 -0.180879630421E+04 0.13879E-04 -0.38008E-05 1216 0.896E-03 0.328E-02
DAV: 5 -0.180879627109E+04 0.33112E-04 -0.56217E-05 1720 0.165E-02 0.187E-02
DAV: 6 -0.180879624662E+04 0.24471E-04 -0.53771E-05 1824 0.158E-02 0.156E-02
DAV: 7 -0.180879624273E+04 0.38960E-05 -0.48545E-05 1680 0.849E-03
251 T= 555. E= -.17857682E+04 F= -.18087962E+04 E0= -.18087843E+04 EK= 0.23028E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180887398299E+04 -0.77736E-01 -0.68278E-05 1646 0.679E-02 0.384E-02
DAV: 2 -0.180887397528E+04 0.77018E-05 -0.20716E-04 1968 0.182E-02 0.664E-02
DAV: 3 -0.180887395285E+04 0.22435E-04 -0.13969E-04 1784 0.102E-02 0.262E-02
DAV: 4 -0.180887394217E+04 0.10678E-04 -0.23154E-05 1304 0.712E-03 0.263E-02
DAV: 5 -0.180887392824E+04 0.13935E-04 -0.32818E-05 1312 0.780E-03 0.201E-02
DAV: 6 -0.180887391002E+04 0.18221E-04 -0.24154E-05 1504 0.131E-02 0.105E-02
DAV: 7 -0.180887390660E+04 0.34180E-05 -0.50201E-05 1712 0.909E-03
252 T= 557. E= -.17857682E+04 F= -.18088739E+04 E0= -.18088623E+04 EK= 0.23106E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180895180737E+04 -0.77897E-01 -0.14952E-04 1854 0.320E-02 0.606E-02
DAV: 2 -0.180895183994E+04 -0.32572E-04 -0.34204E-04 1944 0.172E-02 0.110E-01
DAV: 3 -0.180895179171E+04 0.48231E-04 -0.24265E-04 1446 0.131E-02 0.456E-02
DAV: 4 -0.180895178093E+04 0.10776E-04 -0.33614E-05 1256 0.919E-03 0.234E-02
DAV: 5 -0.180895177819E+04 0.27396E-05 -0.42068E-05 1216 0.634E-03
253 T= 559. E= -.17857682E+04 F= -.18089518E+04 E0= -.18089403E+04 EK= 0.23184E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180902983181E+04 -0.78051E-01 -0.10294E-04 1750 0.317E-02 0.422E-02
DAV: 2 -0.180902987969E+04 -0.47880E-04 -0.23781E-04 1912 0.151E-02 0.985E-02
DAV: 3 -0.180902982731E+04 0.52383E-04 -0.15946E-04 1404 0.113E-02 0.250E-02
DAV: 4 -0.180902982890E+04 -0.15972E-05 -0.28547E-05 1120 0.507E-03
254 T= 561. E= -.17857682E+04 F= -.18090298E+04 E0= -.18090181E+04 EK= 0.23262E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180910810277E+04 -0.78275E-01 -0.76961E-05 1872 0.408E-02 0.310E-02
DAV: 2 -0.180910811496E+04 -0.12184E-04 -0.23942E-04 1936 0.155E-02 0.511E-02
DAV: 3 -0.180910809560E+04 0.19355E-04 -0.10814E-04 1464 0.988E-03 0.347E-02
DAV: 4 -0.180910808929E+04 0.63097E-05 -0.22526E-05 1104 0.484E-03
255 T= 563. E= -.17857682E+04 F= -.18091081E+04 E0= -.18090961E+04 EK= 0.23340E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180918655183E+04 -0.78456E-01 -0.19336E-04 1976 0.323E-02 0.433E-02
DAV: 2 -0.180918656577E+04 -0.13936E-04 -0.35967E-04 1864 0.150E-02 0.813E-02
DAV: 3 -0.180918653626E+04 0.29508E-04 -0.19832E-04 1456 0.949E-03 0.221E-02
DAV: 4 -0.180918653301E+04 0.32501E-05 -0.24064E-05 1160 0.636E-03
256 T= 564. E= -.17857682E+04 F= -.18091865E+04 E0= -.18091744E+04 EK= 0.23418E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180926515027E+04 -0.78614E-01 -0.16249E-04 2240 0.326E-02 0.433E-02
DAV: 2 -0.180926518607E+04 -0.35797E-04 -0.38802E-04 2016 0.178E-02 0.785E-02
DAV: 3 -0.180926514448E+04 0.41585E-04 -0.23944E-04 1488 0.121E-02 0.195E-02
DAV: 4 -0.180926514600E+04 -0.15131E-05 -0.22218E-05 1136 0.467E-03
257 T= 566. E= -.17857682E+04 F= -.18092651E+04 E0= -.18092534E+04 EK= 0.23497E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180934398225E+04 -0.78838E-01 -0.15208E-04 2072 0.404E-02 0.364E-02
DAV: 2 -0.180934406105E+04 -0.78792E-04 -0.42608E-04 2032 0.194E-02 0.129E-01
DAV: 3 -0.180934396718E+04 0.93863E-04 -0.20073E-04 1648 0.121E-02 0.162E-02
DAV: 4 -0.180934396832E+04 -0.11322E-05 -0.33487E-05 1248 0.641E-03
258 T= 568. E= -.17857682E+04 F= -.18093440E+04 E0= -.18093327E+04 EK= 0.23576E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180942302006E+04 -0.79053E-01 -0.14525E-04 2174 0.366E-02 0.541E-02
DAV: 2 -0.180942318902E+04 -0.16897E-03 -0.75183E-04 2264 0.244E-02 0.186E-01
DAV: 3 -0.180942298433E+04 0.20469E-03 -0.51402E-04 1846 0.184E-02 0.230E-02
DAV: 4 -0.180942298669E+04 -0.23594E-05 -0.37312E-05 1504 0.662E-03
259 T= 570. E= -.17857682E+04 F= -.18094230E+04 E0= -.18094117E+04 EK= 0.23655E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180950216532E+04 -0.79181E-01 -0.22464E-04 2228 0.357E-02 0.363E-02
DAV: 2 -0.180950224480E+04 -0.79480E-04 -0.46332E-04 2208 0.201E-02 0.111E-01
DAV: 3 -0.180950215211E+04 0.92689E-04 -0.21852E-04 1768 0.133E-02 0.318E-02
DAV: 4 -0.180950215317E+04 -0.10612E-05 -0.30599E-05 1168 0.480E-03
260 T= 572. E= -.17857681E+04 F= -.18095022E+04 E0= -.18094907E+04 EK= 0.23734E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180958153617E+04 -0.79384E-01 -0.22857E-04 2176 0.438E-02 0.454E-02
DAV: 2 -0.180958158522E+04 -0.49053E-04 -0.47107E-04 1936 0.198E-02 0.116E-01
DAV: 3 -0.180958152996E+04 0.55268E-04 -0.26824E-04 1624 0.132E-02 0.286E-02
DAV: 4 -0.180958152770E+04 0.22570E-05 -0.19886E-05 1128 0.468E-03
261 T= 574. E= -.17857681E+04 F= -.18095815E+04 E0= -.18095697E+04 EK= 0.23813E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180966113219E+04 -0.79602E-01 -0.16632E-04 2552 0.423E-02 0.321E-02
DAV: 2 -0.180966113945E+04 -0.72542E-05 -0.26571E-04 1952 0.167E-02 0.618E-02
DAV: 3 -0.180966110941E+04 0.30038E-04 -0.12040E-04 1504 0.984E-03 0.178E-02
DAV: 4 -0.180966110363E+04 0.57791E-05 -0.24188E-05 1160 0.744E-03
262 T= 576. E= -.17857682E+04 F= -.18096611E+04 E0= -.18096492E+04 EK= 0.23893E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180974083863E+04 -0.79729E-01 -0.27373E-04 2284 0.328E-02 0.400E-02
DAV: 2 -0.180974086430E+04 -0.25665E-04 -0.32076E-04 2024 0.174E-02 0.707E-02
DAV: 3 -0.180974082639E+04 0.37906E-04 -0.20262E-04 1672 0.120E-02 0.282E-02
DAV: 4 -0.180974082371E+04 0.26852E-05 -0.28896E-05 1144 0.554E-03
263 T= 578. E= -.17857681E+04 F= -.18097408E+04 E0= -.18097289E+04 EK= 0.23973E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180982073672E+04 -0.79910E-01 -0.29084E-04 2336 0.426E-02 0.286E-02
DAV: 2 -0.180982074241E+04 -0.56917E-05 -0.18388E-04 1976 0.162E-02 0.591E-02
DAV: 3 -0.180982073106E+04 0.11348E-04 -0.85851E-05 1504 0.852E-03 0.158E-02
DAV: 4 -0.180982073052E+04 0.54177E-06 -0.19157E-05 1040 0.541E-03
264 T= 580. E= -.17857681E+04 F= -.18098207E+04 E0= -.18098093E+04 EK= 0.24053E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180990089163E+04 -0.80161E-01 -0.16736E-04 2488 0.473E-02 0.268E-02
DAV: 2 -0.180990087954E+04 0.12080E-04 -0.14178E-04 1920 0.150E-02 0.571E-02
DAV: 3 -0.180990086288E+04 0.16661E-04 -0.74347E-05 1344 0.822E-03 0.204E-02
DAV: 4 -0.180990084961E+04 0.13270E-04 -0.23898E-05 1296 0.925E-03 0.167E-02
DAV: 5 -0.180990083725E+04 0.12365E-04 -0.40571E-05 1472 0.107E-02 0.163E-02
DAV: 6 -0.180990083069E+04 0.65624E-05 -0.18752E-05 1256 0.640E-03
265 T= 582. E= -.17857681E+04 F= -.18099008E+04 E0= -.18098895E+04 EK= 0.24133E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180998109398E+04 -0.80257E-01 -0.50741E-05 1590 0.372E-02 0.272E-02
DAV: 2 -0.180998111452E+04 -0.20544E-04 -0.24662E-04 1888 0.134E-02 0.527E-02
DAV: 3 -0.180998109458E+04 0.19937E-04 -0.98183E-05 1312 0.820E-03 0.182E-02
DAV: 4 -0.180998109479E+04 -0.20581E-06 -0.11572E-05 968 0.320E-03
266 T= 584. E= -.17857681E+04 F= -.18099811E+04 E0= -.18099695E+04 EK= 0.24213E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181006159577E+04 -0.80501E-01 -0.95316E-05 1964 0.442E-02 0.450E-02
DAV: 2 -0.181006163719E+04 -0.41427E-04 -0.54965E-04 1952 0.202E-02 0.856E-02
DAV: 3 -0.181006157393E+04 0.63267E-04 -0.31445E-04 1896 0.147E-02 0.397E-02
DAV: 4 -0.181006156575E+04 0.81769E-05 -0.36075E-05 1208 0.630E-03
267 T= 585. E= -.17857681E+04 F= -.18100616E+04 E0= -.18100496E+04 EK= 0.24293E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181014222071E+04 -0.80647E-01 -0.15019E-04 1998 0.311E-02 0.458E-02
DAV: 2 -0.181014224181E+04 -0.21092E-04 -0.43061E-04 1968 0.192E-02 0.840E-02
DAV: 3 -0.181014219473E+04 0.47081E-04 -0.24109E-04 1536 0.123E-02 0.216E-02
DAV: 4 -0.181014218727E+04 0.74549E-05 -0.28950E-05 1288 0.730E-03
268 T= 587. E= -.17857681E+04 F= -.18101422E+04 E0= -.18101303E+04 EK= 0.24374E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181022296575E+04 -0.80771E-01 -0.14607E-04 1982 0.355E-02 0.389E-02
DAV: 2 -0.181022307217E+04 -0.10641E-03 -0.42375E-04 2072 0.186E-02 0.135E-01
DAV: 3 -0.181022295914E+04 0.11303E-03 -0.25802E-04 1544 0.134E-02 0.180E-02
DAV: 4 -0.181022296329E+04 -0.41487E-05 -0.20678E-05 1168 0.419E-03
269 T= 589. E= -.17857681E+04 F= -.18102230E+04 E0= -.18102115E+04 EK= 0.24455E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181030397859E+04 -0.81019E-01 -0.12932E-04 1918 0.475E-02 0.402E-02
DAV: 2 -0.181030409134E+04 -0.11276E-03 -0.52578E-04 2256 0.222E-02 0.152E-01
DAV: 3 -0.181030395359E+04 0.13775E-03 -0.26797E-04 1744 0.149E-02 0.176E-02
DAV: 4 -0.181030395219E+04 0.14068E-05 -0.28360E-05 1352 0.720E-03
270 T= 591. E= -.17857681E+04 F= -.18103040E+04 E0= -.18102929E+04 EK= 0.24536E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181038513522E+04 -0.81182E-01 -0.22400E-04 2000 0.340E-02 0.398E-02
DAV: 2 -0.181038514453E+04 -0.93179E-05 -0.33115E-04 1960 0.167E-02 0.689E-02
DAV: 3 -0.181038510896E+04 0.35569E-04 -0.16609E-04 1424 0.107E-02 0.202E-02
DAV: 4 -0.181038510180E+04 0.71637E-05 -0.30124E-05 1200 0.793E-03
271 T= 593. E= -.17857681E+04 F= -.18103851E+04 E0= -.18103739E+04 EK= 0.24617E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181046638622E+04 -0.81277E-01 -0.24078E-04 2240 0.401E-02 0.468E-02
DAV: 2 -0.181046646917E+04 -0.82949E-04 -0.55312E-04 2008 0.213E-02 0.141E-01
DAV: 3 -0.181046638347E+04 0.85701E-04 -0.33808E-04 1760 0.149E-02 0.237E-02
DAV: 4 -0.181046638403E+04 -0.56143E-06 -0.23083E-05 1144 0.480E-03
272 T= 595. E= -.17857681E+04 F= -.18104664E+04 E0= -.18104550E+04 EK= 0.24698E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181054790501E+04 -0.81522E-01 -0.18562E-04 2486 0.514E-02 0.243E-02
DAV: 2 -0.181054789672E+04 0.82953E-05 -0.16502E-04 1960 0.138E-02 0.351E-02
DAV: 3 -0.181054788724E+04 0.94808E-05 -0.53449E-05 1296 0.773E-03
273 T= 597. E= -.17857681E+04 F= -.18105479E+04 E0= -.18105360E+04 EK= 0.24780E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181062960648E+04 -0.81710E-01 -0.29414E-04 2190 0.421E-02 0.449E-02
DAV: 2 -0.181062962178E+04 -0.15294E-04 -0.35995E-04 1968 0.191E-02 0.104E-01
DAV: 3 -0.181062956780E+04 0.53982E-04 -0.19214E-04 1504 0.118E-02 0.260E-02
DAV: 4 -0.181062954750E+04 0.20300E-04 -0.42263E-05 1360 0.120E-02 0.206E-02
DAV: 5 -0.181062952997E+04 0.17522E-04 -0.57731E-05 1640 0.110E-02 0.159E-02
DAV: 6 -0.181062951754E+04 0.12433E-04 -0.19679E-05 1296 0.914E-03 0.117E-02
DAV: 7 -0.181062951225E+04 0.52925E-05 -0.26597E-05 1360 0.798E-03
274 T= 599. E= -.17857681E+04 F= -.18106295E+04 E0= -.18106179E+04 EK= 0.24861E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181071142873E+04 -0.81911E-01 -0.18971E-04 2022 0.714E-02 0.436E-02
DAV: 2 -0.181071148001E+04 -0.51280E-04 -0.43046E-04 2040 0.218E-02 0.132E-01
DAV: 3 -0.181071138441E+04 0.95598E-04 -0.23565E-04 1824 0.136E-02 0.236E-02
DAV: 4 -0.181071136614E+04 0.18268E-04 -0.30838E-05 1360 0.106E-02 0.225E-02
DAV: 5 -0.181071134155E+04 0.24594E-04 -0.63688E-05 1720 0.147E-02 0.192E-02
DAV: 6 -0.181071132378E+04 0.17764E-04 -0.54317E-05 1736 0.149E-02 0.162E-02
DAV: 7 -0.181071132281E+04 0.97233E-06 -0.48212E-05 1640 0.797E-03
275 T= 601. E= -.17857681E+04 F= -.18107113E+04 E0= -.18107001E+04 EK= 0.24943E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181079330622E+04 -0.81982E-01 -0.13836E-04 2136 0.298E-02 0.438E-02
DAV: 2 -0.181079333193E+04 -0.25719E-04 -0.22883E-04 1960 0.148E-02 0.862E-02
DAV: 3 -0.181079329870E+04 0.33238E-04 -0.11184E-04 1344 0.892E-03 0.292E-02
DAV: 4 -0.181079329881E+04 -0.11834E-06 -0.24131E-05 1104 0.569E-03
276 T= 603. E= -.17857681E+04 F= -.18107933E+04 E0= -.18107819E+04 EK= 0.25025E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181087547820E+04 -0.82179E-01 -0.31816E-04 2224 0.354E-02 0.608E-02
DAV: 2 -0.181087565875E+04 -0.18055E-03 -0.16864E-03 2424 0.348E-02 0.148E-01
DAV: 3 -0.181087543585E+04 0.22290E-03 -0.79049E-04 2096 0.229E-02 0.391E-02
DAV: 4 -0.181087543863E+04 -0.27806E-05 -0.65444E-05 1568 0.825E-03
277 T= 605. E= -.17857681E+04 F= -.18108754E+04 E0= -.18108641E+04 EK= 0.25107E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181095777362E+04 -0.82338E-01 -0.29657E-04 1998 0.377E-02 0.630E-02
DAV: 2 -0.181095791063E+04 -0.13701E-03 -0.12904E-03 2248 0.309E-02 0.147E-01
DAV: 3 -0.181095774442E+04 0.16621E-03 -0.64065E-04 2044 0.205E-02 0.226E-02
DAV: 4 -0.181095775250E+04 -0.80782E-05 -0.46570E-05 1544 0.816E-03
278 T= 607. E= -.17857681E+04 F= -.18109578E+04 E0= -.18109461E+04 EK= 0.25190E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181104022110E+04 -0.82477E-01 -0.46612E-04 1910 0.349E-02 0.618E-02
DAV: 2 -0.181104032559E+04 -0.10450E-03 -0.10811E-03 2024 0.228E-02 0.171E-01
DAV: 3 -0.181104021278E+04 0.11281E-03 -0.57439E-04 1760 0.164E-02 0.305E-02
DAV: 4 -0.181104020897E+04 0.38098E-05 -0.41101E-05 1320 0.608E-03
279 T= 609. E= -.17857681E+04 F= -.18110402E+04 E0= -.18110287E+04 EK= 0.25272E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181112282135E+04 -0.82609E-01 -0.20585E-04 2022 0.357E-02 0.401E-02
DAV: 2 -0.181112285944E+04 -0.38086E-04 -0.34639E-04 1944 0.150E-02 0.939E-02
DAV: 3 -0.181112282547E+04 0.33963E-04 -0.17854E-04 1344 0.103E-02 0.231E-02
DAV: 4 -0.181112282448E+04 0.98824E-06 -0.23600E-05 1120 0.498E-03
280 T= 611. E= -.17857681E+04 F= -.18111228E+04 E0= -.18111116E+04 EK= 0.25355E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181120562002E+04 -0.82795E-01 -0.21178E-04 2126 0.370E-02 0.282E-02
DAV: 2 -0.181120565435E+04 -0.34332E-04 -0.34327E-04 1968 0.173E-02 0.734E-02
DAV: 3 -0.181120561279E+04 0.41560E-04 -0.13043E-04 1416 0.973E-03 0.195E-02
DAV: 4 -0.181120561147E+04 0.13168E-05 -0.23028E-05 1152 0.586E-03
281 T= 613. E= -.17857681E+04 F= -.18112056E+04 E0= -.18111947E+04 EK= 0.25438E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181128856195E+04 -0.82949E-01 -0.20660E-04 2196 0.327E-02 0.283E-02
DAV: 2 -0.181128857788E+04 -0.15925E-04 -0.23628E-04 1960 0.164E-02 0.570E-02
DAV: 3 -0.181128855153E+04 0.26348E-04 -0.10818E-04 1424 0.937E-03 0.149E-02
DAV: 4 -0.181128855107E+04 0.46614E-06 -0.18367E-05 1072 0.557E-03
282 T= 615. E= -.17857681E+04 F= -.18112886E+04 E0= -.18112774E+04 EK= 0.25520E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181137164105E+04 -0.83090E-01 -0.22152E-04 2310 0.383E-02 0.583E-02
DAV: 2 -0.181137171485E+04 -0.73794E-04 -0.66702E-04 2024 0.204E-02 0.139E-01
DAV: 3 -0.181137163780E+04 0.77042E-04 -0.45271E-04 1688 0.158E-02 0.347E-02
DAV: 4 -0.181137163520E+04 0.26016E-05 -0.28924E-05 1200 0.529E-03
283 T= 617. E= -.17857681E+04 F= -.18113716E+04 E0= -.18113605E+04 EK= 0.25604E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181145490580E+04 -0.83268E-01 -0.23087E-04 2536 0.397E-02 0.370E-02
DAV: 2 -0.181145491185E+04 -0.60561E-05 -0.21855E-04 1936 0.145E-02 0.597E-02
DAV: 3 -0.181145489584E+04 0.16015E-04 -0.14526E-04 1328 0.101E-02 0.340E-02
DAV: 4 -0.181145489161E+04 0.42300E-05 -0.25848E-05 1192 0.638E-03
284 T= 619. E= -.17857681E+04 F= -.18114549E+04 E0= -.18114435E+04 EK= 0.25687E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181153831499E+04 -0.83419E-01 -0.21787E-04 2208 0.343E-02 0.420E-02
DAV: 2 -0.181153841323E+04 -0.98249E-04 -0.54143E-04 2072 0.225E-02 0.153E-01
DAV: 3 -0.181153829133E+04 0.12190E-03 -0.28047E-04 1784 0.146E-02 0.141E-02
DAV: 4 -0.181153829071E+04 0.61876E-06 -0.26448E-05 1248 0.696E-03
285 T= 621. E= -.17857681E+04 F= -.18115383E+04 E0= -.18115270E+04 EK= 0.25770E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181162184192E+04 -0.83551E-01 -0.18568E-04 2350 0.344E-02 0.398E-02
DAV: 2 -0.181162187324E+04 -0.31317E-04 -0.40416E-04 2032 0.165E-02 0.102E-01
DAV: 3 -0.181162183606E+04 0.37185E-04 -0.22016E-04 1584 0.108E-02 0.183E-02
DAV: 4 -0.181162183561E+04 0.44708E-06 -0.23185E-05 1048 0.480E-03
286 T= 623. E= -.17857681E+04 F= -.18116218E+04 E0= -.18116107E+04 EK= 0.25854E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181170555884E+04 -0.83723E-01 -0.19754E-04 2412 0.391E-02 0.274E-02
DAV: 2 -0.181170556940E+04 -0.10563E-04 -0.20098E-04 1936 0.146E-02 0.555E-02
DAV: 3 -0.181170554698E+04 0.22424E-04 -0.92959E-05 1384 0.839E-03 0.176E-02
DAV: 4 -0.181170554555E+04 0.14249E-05 -0.18734E-05 1056 0.479E-03
287 T= 625. E= -.17857681E+04 F= -.18117055E+04 E0= -.18116946E+04 EK= 0.25937E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181178941967E+04 -0.83873E-01 -0.16988E-04 2478 0.325E-02 0.301E-02
DAV: 2 -0.181178942221E+04 -0.25372E-05 -0.20070E-04 1928 0.154E-02 0.533E-02
DAV: 3 -0.181178940172E+04 0.20485E-04 -0.10856E-04 1400 0.948E-03 0.139E-02
DAV: 4 -0.181178939602E+04 0.56999E-05 -0.20261E-05 1192 0.745E-03
288 T= 627. E= -.17857681E+04 F= -.18117894E+04 E0= -.18117785E+04 EK= 0.26021E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181187339443E+04 -0.83993E-01 -0.13387E-04 2398 0.360E-02 0.298E-02
DAV: 2 -0.181187344131E+04 -0.46885E-04 -0.30012E-04 1960 0.171E-02 0.908E-02
DAV: 3 -0.181187338547E+04 0.55842E-04 -0.15412E-04 1512 0.106E-02 0.149E-02
DAV: 4 -0.181187338741E+04 -0.19368E-05 -0.24099E-05 1160 0.507E-03
289 T= 629. E= -.17857681E+04 F= -.18118734E+04 E0= -.18118623E+04 EK= 0.26105E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181195755744E+04 -0.84172E-01 -0.16790E-04 2062 0.399E-02 0.291E-02
DAV: 2 -0.181195760825E+04 -0.50808E-04 -0.29019E-04 2096 0.173E-02 0.104E-01
DAV: 3 -0.181195754091E+04 0.67336E-04 -0.12854E-04 1456 0.104E-02 0.144E-02
DAV: 4 -0.181195754008E+04 0.83323E-06 -0.25880E-05 1280 0.611E-03
290 T= 631. E= -.17857681E+04 F= -.18119575E+04 E0= -.18119464E+04 EK= 0.26189E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181204185395E+04 -0.84313E-01 -0.15772E-04 2246 0.353E-02 0.287E-02
DAV: 2 -0.181204185125E+04 0.26999E-05 -0.16303E-04 1896 0.137E-02 0.463E-02
DAV: 3 -0.181204184018E+04 0.11069E-04 -0.81124E-05 1248 0.792E-03 0.218E-02
DAV: 4 -0.181204183506E+04 0.51286E-05 -0.25571E-05 1192 0.746E-03
291 T= 633. E= -.17857681E+04 F= -.18120418E+04 E0= -.18120307E+04 EK= 0.26274E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181212626621E+04 -0.84426E-01 -0.18815E-04 2392 0.361E-02 0.282E-02
DAV: 2 -0.181212627891E+04 -0.12700E-04 -0.20304E-04 2160 0.166E-02 0.566E-02
DAV: 3 -0.181212625758E+04 0.21329E-04 -0.97645E-05 1608 0.888E-03 0.153E-02
DAV: 4 -0.181212625935E+04 -0.17740E-05 -0.23557E-05 1024 0.492E-03
292 T= 635. E= -.17857681E+04 F= -.18121263E+04 E0= -.18121154E+04 EK= 0.26358E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181221086152E+04 -0.84604E-01 -0.21549E-04 2454 0.398E-02 0.363E-02
DAV: 2 -0.181221089655E+04 -0.35034E-04 -0.27456E-04 2080 0.180E-02 0.913E-02
DAV: 3 -0.181221084264E+04 0.53914E-04 -0.17586E-04 1614 0.115E-02 0.206E-02
DAV: 4 -0.181221084113E+04 0.15031E-05 -0.29813E-05 1192 0.619E-03
293 T= 637. E= -.17857681E+04 F= -.18122108E+04 E0= -.18122000E+04 EK= 0.26443E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181229559032E+04 -0.84748E-01 -0.16002E-04 2324 0.347E-02 0.399E-02
DAV: 2 -0.181229564629E+04 -0.55971E-04 -0.37220E-04 2120 0.190E-02 0.101E-01
DAV: 3 -0.181229556861E+04 0.77676E-04 -0.22243E-04 1568 0.133E-02 0.309E-02
DAV: 4 -0.181229556665E+04 0.19646E-05 -0.33051E-05 1224 0.608E-03
294 T= 639. E= -.17857681E+04 F= -.18122956E+04 E0= -.18122849E+04 EK= 0.26528E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181238041433E+04 -0.84846E-01 -0.23257E-04 2172 0.397E-02 0.314E-02
DAV: 2 -0.181238043890E+04 -0.24571E-04 -0.32259E-04 1936 0.174E-02 0.749E-02
DAV: 3 -0.181238040970E+04 0.29209E-04 -0.14481E-04 1462 0.101E-02 0.125E-02
DAV: 4 -0.181238041079E+04 -0.10910E-05 -0.21541E-05 1088 0.488E-03
295 T= 641. E= -.17857680E+04 F= -.18123804E+04 E0= -.18123696E+04 EK= 0.26612E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181246543180E+04 -0.85022E-01 -0.26536E-04 2568 0.419E-02 0.393E-02
DAV: 2 -0.181246544258E+04 -0.10776E-04 -0.27127E-04 1952 0.167E-02 0.772E-02
DAV: 3 -0.181246541741E+04 0.25162E-04 -0.17269E-04 1552 0.113E-02 0.273E-02
DAV: 4 -0.181246541344E+04 0.39686E-05 -0.28935E-05 1184 0.656E-03
296 T= 643. E= -.17857680E+04 F= -.18124654E+04 E0= -.18124544E+04 EK= 0.26697E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181255057723E+04 -0.85160E-01 -0.20158E-04 2398 0.369E-02 0.345E-02
DAV: 2 -0.181255058708E+04 -0.98495E-05 -0.23596E-04 1928 0.171E-02 0.625E-02
DAV: 3 -0.181255055719E+04 0.29891E-04 -0.13969E-04 1608 0.105E-02 0.198E-02
DAV: 4 -0.181255055450E+04 0.26926E-05 -0.34596E-05 1184 0.709E-03
297 T= 645. E= -.17857681E+04 F= -.18125506E+04 E0= -.18125394E+04 EK= 0.26783E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181263582694E+04 -0.85270E-01 -0.20155E-04 2548 0.360E-02 0.439E-02
DAV: 2 -0.181263591243E+04 -0.85492E-04 -0.48737E-04 2256 0.216E-02 0.119E-01
DAV: 3 -0.181263580743E+04 0.10501E-03 -0.29328E-04 1848 0.149E-02 0.287E-02
DAV: 4 -0.181263580952E+04 -0.20897E-05 -0.37330E-05 1216 0.550E-03
298 T= 648. E= -.17857680E+04 F= -.18126358E+04 E0= -.18126251E+04 EK= 0.26868E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181272123541E+04 -0.85428E-01 -0.25750E-04 2404 0.413E-02 0.292E-02
DAV: 2 -0.181272123739E+04 -0.19744E-05 -0.17922E-04 1936 0.145E-02 0.435E-02
DAV: 3 -0.181272122297E+04 0.14417E-04 -0.91702E-05 1392 0.884E-03 0.220E-02
DAV: 4 -0.181272121934E+04 0.36351E-05 -0.20611E-05 1088 0.592E-03
299 T= 650. E= -.17857680E+04 F= -.18127212E+04 E0= -.18127105E+04 EK= 0.26953E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181280679027E+04 -0.85567E-01 -0.21595E-04 2262 0.354E-02 0.508E-02
DAV: 2 -0.181280685297E+04 -0.62702E-04 -0.51830E-04 1952 0.212E-02 0.134E-01
DAV: 3 -0.181280676850E+04 0.84473E-04 -0.36026E-04 1800 0.159E-02 0.269E-02
DAV: 4 -0.181280676454E+04 0.39568E-05 -0.37848E-05 1264 0.722E-03
300 T= 652. E= -.17857680E+04 F= -.18128068E+04 E0= -.18127963E+04 EK= 0.27039E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181289243213E+04 -0.85664E-01 -0.20513E-04 2574 0.385E-02 0.400E-02
DAV: 2 -0.181289245739E+04 -0.25266E-04 -0.33223E-04 2000 0.170E-02 0.844E-02
DAV: 3 -0.181289242388E+04 0.33515E-04 -0.20755E-04 1518 0.120E-02 0.267E-02
DAV: 4 -0.181289242244E+04 0.14322E-05 -0.25934E-05 1120 0.510E-03
301 T= 654. E= -.17857680E+04 F= -.18128924E+04 E0= -.18128817E+04 EK= 0.27124E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181297825054E+04 -0.85827E-01 -0.29497E-04 2454 0.420E-02 0.367E-02
DAV: 2 -0.181297829741E+04 -0.46873E-04 -0.32698E-04 2040 0.205E-02 0.102E-01
DAV: 3 -0.181297822848E+04 0.68933E-04 -0.18759E-04 1822 0.123E-02 0.180E-02
DAV: 4 -0.181297822784E+04 0.63353E-06 -0.27504E-05 1240 0.656E-03
302 T= 656. E= -.17857680E+04 F= -.18129782E+04 E0= -.18129675E+04 EK= 0.27210E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181306418719E+04 -0.85959E-01 -0.16409E-04 2350 0.370E-02 0.296E-02
DAV: 2 -0.181306419382E+04 -0.66270E-05 -0.17992E-04 1944 0.154E-02 0.563E-02
DAV: 3 -0.181306416941E+04 0.24405E-04 -0.99235E-05 1400 0.935E-03 0.217E-02
DAV: 4 -0.181306416442E+04 0.49932E-05 -0.29758E-05 1176 0.733E-03
303 T= 658. E= -.17857680E+04 F= -.18130642E+04 E0= -.18130532E+04 EK= 0.27296E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181315022250E+04 -0.86053E-01 -0.25757E-04 2494 0.389E-02 0.367E-02
DAV: 2 -0.181315023888E+04 -0.16384E-04 -0.31682E-04 2096 0.178E-02 0.763E-02
DAV: 3 -0.181315021141E+04 0.27466E-04 -0.17240E-04 1608 0.108E-02 0.182E-02
DAV: 4 -0.181315021198E+04 -0.56486E-06 -0.26685E-05 1096 0.528E-03
304 T= 660. E= -.17857680E+04 F= -.18131502E+04 E0= -.18131396E+04 EK= 0.27382E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181323642608E+04 -0.86215E-01 -0.32126E-04 2556 0.415E-02 0.345E-02
DAV: 2 -0.181323642069E+04 0.53913E-05 -0.21219E-04 2008 0.165E-02 0.477E-02
DAV: 3 -0.181323640533E+04 0.15357E-04 -0.12197E-04 1638 0.100E-02 0.210E-02
DAV: 4 -0.181323640133E+04 0.40026E-05 -0.29698E-05 1144 0.704E-03
305 T= 662. E= -.17857680E+04 F= -.18132364E+04 E0= -.18132259E+04 EK= 0.27468E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181332274119E+04 -0.86336E-01 -0.15535E-04 2414 0.350E-02 0.343E-02
DAV: 2 -0.181332274210E+04 -0.91110E-06 -0.21845E-04 1984 0.160E-02 0.557E-02
DAV: 3 -0.181332271785E+04 0.24257E-04 -0.13660E-04 1560 0.105E-02 0.199E-02
DAV: 4 -0.181332271390E+04 0.39522E-05 -0.27635E-05 1160 0.721E-03
306 T= 664. E= -.17857680E+04 F= -.18133227E+04 E0= -.18133125E+04 EK= 0.27555E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181340914873E+04 -0.86431E-01 -0.19062E-04 2438 0.389E-02 0.343E-02
DAV: 2 -0.181340917204E+04 -0.23304E-04 -0.29206E-04 1896 0.171E-02 0.848E-02
DAV: 3 -0.181340913802E+04 0.34022E-04 -0.15714E-04 1512 0.110E-02 0.171E-02
DAV: 4 -0.181340913800E+04 0.17113E-07 -0.28645E-05 1128 0.539E-03
307 T= 666. E= -.17857680E+04 F= -.18134091E+04 E0= -.18133986E+04 EK= 0.27641E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181349572644E+04 -0.86588E-01 -0.24544E-04 2606 0.418E-02 0.291E-02
DAV: 2 -0.181349571106E+04 0.15380E-04 -0.14127E-04 1976 0.145E-02 0.367E-02
DAV: 3 -0.181349570512E+04 0.59422E-05 -0.71991E-05 1448 0.828E-03
308 T= 668. E= -.17857680E+04 F= -.18134957E+04 E0= -.18134852E+04 EK= 0.27728E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181358242744E+04 -0.86716E-01 -0.27242E-04 2566 0.383E-02 0.540E-02
DAV: 2 -0.181358257842E+04 -0.15098E-03 -0.75620E-04 2296 0.264E-02 0.177E-01
DAV: 3 -0.181358238463E+04 0.19379E-03 -0.42787E-04 1886 0.185E-02 0.162E-02
DAV: 4 -0.181358238340E+04 0.12244E-05 -0.52865E-05 1616 0.102E-02
309 T= 670. E= -.17857680E+04 F= -.18135824E+04 E0= -.18135719E+04 EK= 0.27814E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181366919597E+04 -0.86811E-01 -0.24293E-04 2616 0.403E-02 0.501E-02
DAV: 2 -0.181366934250E+04 -0.14654E-03 -0.73581E-04 2304 0.248E-02 0.165E-01
DAV: 3 -0.181366916724E+04 0.17526E-03 -0.45911E-04 1912 0.179E-02 0.190E-02
DAV: 4 -0.181366917284E+04 -0.56002E-05 -0.45367E-05 1448 0.625E-03
310 T= 672. E= -.17857680E+04 F= -.18136692E+04 E0= -.18136587E+04 EK= 0.27901E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181375612536E+04 -0.86958E-01 -0.28494E-04 2008 0.425E-02 0.313E-02
DAV: 2 -0.181375612699E+04 -0.16350E-05 -0.24970E-04 1944 0.168E-02 0.587E-02
DAV: 3 -0.181375610306E+04 0.23936E-04 -0.10098E-04 1464 0.924E-03 0.210E-02
DAV: 4 -0.181375609979E+04 0.32635E-05 -0.24094E-05 1128 0.638E-03
311 T= 675. E= -.17857680E+04 F= -.18137561E+04 E0= -.18137460E+04 EK= 0.27988E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181384316928E+04 -0.87066E-01 -0.22009E-04 2134 0.366E-02 0.649E-02
DAV: 2 -0.181384332058E+04 -0.15130E-03 -0.92168E-04 2104 0.289E-02 0.185E-01
DAV: 3 -0.181384313823E+04 0.18235E-03 -0.61042E-04 1944 0.211E-02 0.312E-02
DAV: 4 -0.181384313691E+04 0.13208E-05 -0.43388E-05 1400 0.705E-03
312 T= 677. E= -.17857680E+04 F= -.18138431E+04 E0= -.18138329E+04 EK= 0.28075E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181393029013E+04 -0.87152E-01 -0.23199E-04 2388 0.439E-02 0.534E-02
DAV: 2 -0.181393036730E+04 -0.77176E-04 -0.61431E-04 2088 0.222E-02 0.132E-01
DAV: 3 -0.181393028068E+04 0.86628E-04 -0.41796E-04 1832 0.168E-02 0.332E-02
DAV: 4 -0.181393027788E+04 0.27917E-05 -0.30840E-05 1240 0.557E-03
313 T= 679. E= -.17857680E+04 F= -.18139303E+04 E0= -.18139201E+04 EK= 0.28162E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181401758821E+04 -0.87308E-01 -0.41845E-04 2174 0.446E-02 0.422E-02
DAV: 2 -0.181401761989E+04 -0.31681E-04 -0.41750E-04 1960 0.213E-02 0.872E-02
DAV: 3 -0.181401756132E+04 0.58573E-04 -0.22440E-04 1816 0.132E-02 0.291E-02
DAV: 4 -0.181401755635E+04 0.49678E-05 -0.44977E-05 1264 0.805E-03
314 T= 681. E= -.17857680E+04 F= -.18140176E+04 E0= -.18140070E+04 EK= 0.28250E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181410495857E+04 -0.87397E-01 -0.28546E-04 2142 0.377E-02 0.375E-02
DAV: 2 -0.181410500368E+04 -0.45112E-04 -0.38105E-04 2008 0.200E-02 0.918E-02
DAV: 3 -0.181410493768E+04 0.66007E-04 -0.19123E-04 1680 0.127E-02 0.276E-02
DAV: 4 -0.181410493474E+04 0.29322E-05 -0.35816E-05 1272 0.657E-03
315 T= 683. E= -.17857680E+04 F= -.18141049E+04 E0= -.18140946E+04 EK= 0.28337E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181419243190E+04 -0.87494E-01 -0.33854E-04 2224 0.448E-02 0.436E-02
DAV: 2 -0.181419248341E+04 -0.51503E-04 -0.53127E-04 2048 0.222E-02 0.113E-01
DAV: 3 -0.181419241955E+04 0.63851E-04 -0.27858E-04 1808 0.141E-02 0.226E-02
DAV: 4 -0.181419241811E+04 0.14399E-05 -0.29442E-05 1152 0.572E-03
316 T= 685. E= -.17857680E+04 F= -.18141924E+04 E0= -.18141823E+04 EK= 0.28424E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181428007161E+04 -0.87652E-01 -0.43348E-04 2278 0.439E-02 0.519E-02
DAV: 2 -0.181428009649E+04 -0.24883E-04 -0.57034E-04 2032 0.227E-02 0.101E-01
DAV: 3 -0.181428003939E+04 0.57100E-04 -0.34240E-04 1888 0.155E-02 0.312E-02
DAV: 4 -0.181428003469E+04 0.46961E-05 -0.49097E-05 1448 0.821E-03
317 T= 687. E= -.17857680E+04 F= -.18142800E+04 E0= -.18142701E+04 EK= 0.28512E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181436776298E+04 -0.87724E-01 -0.30013E-04 2132 0.372E-02 0.377E-02
DAV: 2 -0.181436781256E+04 -0.49573E-04 -0.38858E-04 2000 0.209E-02 0.982E-02
DAV: 3 -0.181436774158E+04 0.70977E-04 -0.20711E-04 1792 0.128E-02 0.207E-02
DAV: 4 -0.181436774035E+04 0.12283E-05 -0.44103E-05 1264 0.731E-03
318 T= 689. E= -.17857680E+04 F= -.18143677E+04 E0= -.18143577E+04 EK= 0.28600E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181445557127E+04 -0.87830E-01 -0.22926E-04 2278 0.434E-02 0.373E-02
DAV: 2 -0.181445564204E+04 -0.70770E-04 -0.40845E-04 2104 0.202E-02 0.115E-01
DAV: 3 -0.181445555465E+04 0.87393E-04 -0.21487E-04 1784 0.133E-02 0.175E-02
DAV: 4 -0.181445555480E+04 -0.14920E-06 -0.27962E-05 1216 0.591E-03
319 T= 691. E= -.17857680E+04 F= -.18144556E+04 E0= -.18144455E+04 EK= 0.28688E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181454353465E+04 -0.87980E-01 -0.35671E-04 2190 0.444E-02 0.402E-02
DAV: 2 -0.181454354383E+04 -0.91734E-05 -0.38875E-04 1984 0.197E-02 0.693E-02
DAV: 3 -0.181454350343E+04 0.40396E-04 -0.19314E-04 1672 0.126E-02 0.264E-02
DAV: 4 -0.181454349840E+04 0.50311E-05 -0.38067E-05 1256 0.775E-03
320 T= 694. E= -.17857680E+04 F= -.18145435E+04 E0= -.18145332E+04 EK= 0.28776E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181463155369E+04 -0.88050E-01 -0.32886E-04 2152 0.375E-02 0.516E-02
DAV: 2 -0.181463160991E+04 -0.56224E-04 -0.65560E-04 2136 0.242E-02 0.128E-01
DAV: 3 -0.181463152870E+04 0.81216E-04 -0.37834E-04 1848 0.159E-02 0.244E-02
DAV: 4 -0.181463152790E+04 0.79935E-06 -0.49186E-05 1400 0.750E-03
321 T= 696. E= -.17857680E+04 F= -.18146315E+04 E0= -.18146214E+04 EK= 0.28864E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181471968319E+04 -0.88154E-01 -0.26352E-04 2512 0.422E-02 0.369E-02
DAV: 2 -0.181471970078E+04 -0.17590E-04 -0.29953E-04 2160 0.181E-02 0.833E-02
DAV: 3 -0.181471966582E+04 0.34966E-04 -0.17164E-04 1600 0.116E-02 0.227E-02
DAV: 4 -0.181471966220E+04 0.36181E-05 -0.28797E-05 1152 0.604E-03
322 T= 698. E= -.17857680E+04 F= -.18147197E+04 E0= -.18147097E+04 EK= 0.28952E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181480795110E+04 -0.88285E-01 -0.31366E-04 2300 0.425E-02 0.362E-02
DAV: 2 -0.181480795755E+04 -0.64530E-05 -0.26984E-04 1936 0.184E-02 0.690E-02
DAV: 3 -0.181480792170E+04 0.35857E-04 -0.13541E-04 1632 0.110E-02 0.260E-02
DAV: 4 -0.181480791503E+04 0.66687E-05 -0.38289E-05 1216 0.807E-03
323 T= 700. E= -.17857680E+04 F= -.18148079E+04 E0= -.18147983E+04 EK= 0.29040E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181489627512E+04 -0.88353E-01 -0.27665E-04 2414 0.364E-02 0.401E-02
DAV: 2 -0.181489628795E+04 -0.12837E-04 -0.37381E-04 2136 0.197E-02 0.700E-02
DAV: 3 -0.181489625244E+04 0.35511E-04 -0.20716E-04 1672 0.123E-02 0.137E-02
DAV: 4 -0.181489624729E+04 0.51528E-05 -0.23479E-05 1272 0.759E-03
324 T= 702. E= -.17857679E+04 F= -.18148962E+04 E0= -.18148865E+04 EK= 0.29128E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181498471762E+04 -0.88465E-01 -0.10904E-04 2070 0.425E-02 0.458E-02
DAV: 2 -0.181498478875E+04 -0.71125E-04 -0.51727E-04 2032 0.231E-02 0.127E-01
DAV: 3 -0.181498469851E+04 0.90236E-04 -0.33636E-04 1752 0.159E-02 0.232E-02
DAV: 4 -0.181498469661E+04 0.18981E-05 -0.29661E-05 1224 0.583E-03
325 T= 704. E= -.17857679E+04 F= -.18149847E+04 E0= -.18149749E+04 EK= 0.29217E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181507328300E+04 -0.88584E-01 -0.22949E-04 2118 0.392E-02 0.383E-02
DAV: 2 -0.181507329231E+04 -0.93024E-05 -0.31105E-04 1968 0.177E-02 0.780E-02
DAV: 3 -0.181507325774E+04 0.34564E-04 -0.17048E-04 1384 0.118E-02 0.272E-02
DAV: 4 -0.181507324988E+04 0.78609E-05 -0.36711E-05 1256 0.803E-03
326 T= 706. E= -.17857679E+04 F= -.18150732E+04 E0= -.18150633E+04 EK= 0.29305E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181516189409E+04 -0.88636E-01 -0.28893E-04 2166 0.379E-02 0.338E-02
DAV: 2 -0.181516193958E+04 -0.45494E-04 -0.34528E-04 2048 0.204E-02 0.921E-02
DAV: 3 -0.181516187798E+04 0.61599E-04 -0.15712E-04 1776 0.118E-02 0.199E-02
DAV: 4 -0.181516187902E+04 -0.10384E-05 -0.35987E-05 1208 0.567E-03
327 T= 708. E= -.17857679E+04 F= -.18151619E+04 E0= -.18151522E+04 EK= 0.29394E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181525065037E+04 -0.88772E-01 -0.30192E-04 2224 0.415E-02 0.289E-02
DAV: 2 -0.181525064847E+04 0.18931E-05 -0.22551E-04 2000 0.169E-02 0.504E-02
DAV: 3 -0.181525063038E+04 0.18092E-04 -0.89980E-05 1608 0.910E-03 0.175E-02
DAV: 4 -0.181525062735E+04 0.30314E-05 -0.28118E-05 1104 0.626E-03
328 T= 711. E= -.17857679E+04 F= -.18152506E+04 E0= -.18152409E+04 EK= 0.29483E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181533949632E+04 -0.88866E-01 -0.24614E-04 2388 0.381E-02 0.418E-02
DAV: 2 -0.181533951333E+04 -0.17009E-04 -0.40809E-04 2064 0.195E-02 0.848E-02
DAV: 3 -0.181533946966E+04 0.43666E-04 -0.22247E-04 1592 0.127E-02 0.198E-02
DAV: 4 -0.181533946727E+04 0.23929E-05 -0.40155E-05 1352 0.769E-03
329 T= 713. E= -.17857679E+04 F= -.18153395E+04 E0= -.18153299E+04 EK= 0.29572E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181542839963E+04 -0.88930E-01 -0.21040E-04 2510 0.360E-02 0.366E-02
DAV: 2 -0.181542841321E+04 -0.13583E-04 -0.29858E-04 2160 0.171E-02 0.614E-02
DAV: 3 -0.181542838419E+04 0.29019E-04 -0.16972E-04 1544 0.112E-02 0.188E-02
DAV: 4 -0.181542838459E+04 -0.39305E-06 -0.28053E-05 1072 0.548E-03
330 T= 715. E= -.17857679E+04 F= -.18154284E+04 E0= -.18154187E+04 EK= 0.29660E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181551744321E+04 -0.89059E-01 -0.17591E-04 2432 0.398E-02 0.274E-02
DAV: 2 -0.181551742589E+04 0.17316E-04 -0.12257E-04 2008 0.139E-02 0.265E-02
DAV: 3 -0.181551742031E+04 0.55857E-05 -0.65325E-05 1502 0.827E-03
331 T= 717. E= -.17857679E+04 F= -.18155174E+04 E0= -.18155079E+04 EK= 0.29749E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181560657398E+04 -0.89148E-01 -0.25300E-04 2528 0.383E-02 0.500E-02
DAV: 2 -0.181560666407E+04 -0.90085E-04 -0.60419E-04 2280 0.239E-02 0.146E-01
DAV: 3 -0.181560653451E+04 0.12956E-03 -0.38647E-04 1840 0.164E-02 0.164E-02
DAV: 4 -0.181560652907E+04 0.54380E-05 -0.30358E-05 1336 0.887E-03
332 T= 719. E= -.17857679E+04 F= -.18156065E+04 E0= -.18155969E+04 EK= 0.29839E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181569575867E+04 -0.89224E-01 -0.24398E-04 2134 0.376E-02 0.592E-02
DAV: 2 -0.181569598290E+04 -0.22422E-03 -0.12851E-03 2320 0.313E-02 0.187E-01
DAV: 3 -0.181569571935E+04 0.26355E-03 -0.66533E-04 2056 0.221E-02 0.283E-02
DAV: 4 -0.181569572605E+04 -0.67054E-05 -0.59008E-05 1600 0.773E-03
333 T= 721. E= -.17857679E+04 F= -.18156957E+04 E0= -.18156863E+04 EK= 0.29928E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181578507248E+04 -0.89353E-01 -0.29771E-04 1902 0.401E-02 0.416E-02
DAV: 2 -0.181578510992E+04 -0.37435E-04 -0.55507E-04 2064 0.218E-02 0.863E-02
DAV: 3 -0.181578504058E+04 0.69333E-04 -0.27915E-04 1784 0.143E-02 0.230E-02
DAV: 4 -0.181578503814E+04 0.24481E-05 -0.30448E-05 1232 0.604E-03
334 T= 723. E= -.17857679E+04 F= -.18157850E+04 E0= -.18157756E+04 EK= 0.30017E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181587442606E+04 -0.89385E-01 -0.33303E-04 2000 0.377E-02 0.424E-02
DAV: 2 -0.181587447089E+04 -0.44831E-04 -0.47969E-04 1960 0.199E-02 0.110E-01
DAV: 3 -0.181587441075E+04 0.60145E-04 -0.25933E-04 1608 0.130E-02 0.198E-02
DAV: 4 -0.181587440779E+04 0.29571E-05 -0.29954E-05 1168 0.633E-03
335 T= 726. E= -.17857679E+04 F= -.18158744E+04 E0= -.18158651E+04 EK= 0.30107E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181596388401E+04 -0.89473E-01 -0.27093E-04 2286 0.383E-02 0.285E-02
DAV: 2 -0.181596388699E+04 -0.29717E-05 -0.24682E-04 2120 0.162E-02 0.569E-02
DAV: 3 -0.181596387355E+04 0.13431E-04 -0.10201E-04 1448 0.841E-03 0.157E-02
DAV: 4 -0.181596387244E+04 0.11178E-05 -0.19636E-05 1048 0.517E-03
336 T= 728. E= -.17857679E+04 F= -.18159639E+04 E0= -.18159546E+04 EK= 0.30196E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181605346855E+04 -0.89595E-01 -0.25341E-04 2390 0.384E-02 0.364E-02
DAV: 2 -0.181605350059E+04 -0.32046E-04 -0.37711E-04 2024 0.189E-02 0.835E-02
DAV: 3 -0.181605344222E+04 0.58372E-04 -0.18299E-04 1672 0.121E-02 0.268E-02
DAV: 4 -0.181605343962E+04 0.25970E-05 -0.35631E-05 1192 0.568E-03
337 T= 730. E= -.17857679E+04 F= -.18160534E+04 E0= -.18160442E+04 EK= 0.30286E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181614308720E+04 -0.89645E-01 -0.22663E-04 2510 0.354E-02 0.345E-02
DAV: 2 -0.181614310170E+04 -0.14498E-04 -0.31162E-04 2024 0.171E-02 0.731E-02
DAV: 3 -0.181614307012E+04 0.31579E-04 -0.15754E-04 1400 0.111E-02 0.178E-02
DAV: 4 -0.181614306917E+04 0.94665E-06 -0.28027E-05 1120 0.587E-03
338 T= 732. E= -.17857679E+04 F= -.18161431E+04 E0= -.18161338E+04 EK= 0.30375E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181623280067E+04 -0.89731E-01 -0.19854E-04 2566 0.367E-02 0.291E-02
DAV: 2 -0.181623280319E+04 -0.25171E-05 -0.19563E-04 2032 0.151E-02 0.488E-02
DAV: 3 -0.181623278815E+04 0.15035E-04 -0.10315E-04 1392 0.944E-03 0.175E-02
DAV: 4 -0.181623278689E+04 0.12664E-05 -0.23038E-05 1048 0.549E-03
339 T= 734. E= -.17857679E+04 F= -.18162328E+04 E0= -.18162236E+04 EK= 0.30465E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181632263500E+04 -0.89847E-01 -0.22118E-04 2160 0.371E-02 0.394E-02
DAV: 2 -0.181632267796E+04 -0.42952E-04 -0.36166E-04 2024 0.195E-02 0.997E-02
DAV: 3 -0.181632260485E+04 0.73102E-04 -0.22356E-04 1720 0.131E-02 0.196E-02
DAV: 4 -0.181632260137E+04 0.34796E-05 -0.41644E-05 1256 0.687E-03
340 T= 736. E= -.17857679E+04 F= -.18163226E+04 E0= -.18163134E+04 EK= 0.30555E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181641249657E+04 -0.89892E-01 -0.20363E-04 2550 0.352E-02 0.412E-02
DAV: 2 -0.181641256516E+04 -0.68581E-04 -0.42294E-04 2176 0.199E-02 0.112E-01
DAV: 3 -0.181641247323E+04 0.91921E-04 -0.25245E-04 1720 0.143E-02 0.195E-02
DAV: 4 -0.181641247470E+04 -0.14615E-05 -0.38401E-05 1240 0.610E-03
341 T= 739. E= -.17857679E+04 F= -.18164125E+04 E0= -.18164035E+04 EK= 0.30645E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181650244194E+04 -0.89969E-01 -0.17253E-04 2182 0.367E-02 0.211E-02
DAV: 2 -0.181650243951E+04 0.24279E-05 -0.11398E-04 1840 0.132E-02 0.246E-02
DAV: 3 -0.181650243530E+04 0.42109E-05 -0.44295E-05 1192 0.710E-03
342 T= 741. E= -.17857679E+04 F= -.18165024E+04 E0= -.18164933E+04 EK= 0.30735E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181659251117E+04 -0.90072E-01 -0.28017E-04 2054 0.395E-02 0.397E-02
DAV: 2 -0.181659254878E+04 -0.37611E-04 -0.36798E-04 2000 0.203E-02 0.100E-01
DAV: 3 -0.181659248975E+04 0.59028E-04 -0.22197E-04 1694 0.130E-02 0.187E-02
DAV: 4 -0.181659248199E+04 0.77670E-05 -0.33380E-05 1504 0.756E-03
343 T= 743. E= -.17857679E+04 F= -.18165925E+04 E0= -.18165835E+04 EK= 0.30825E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181668260930E+04 -0.90120E-01 -0.24271E-04 2046 0.370E-02 0.407E-02
DAV: 2 -0.181668263503E+04 -0.25729E-04 -0.45991E-04 2064 0.203E-02 0.852E-02
DAV: 3 -0.181668259133E+04 0.43699E-04 -0.23456E-04 1632 0.128E-02 0.191E-02
DAV: 4 -0.181668259173E+04 -0.39731E-06 -0.28281E-05 1184 0.576E-03
344 T= 745. E= -.17857679E+04 F= -.18166826E+04 E0= -.18166736E+04 EK= 0.30915E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181677280757E+04 -0.90216E-01 -0.19601E-04 1990 0.368E-02 0.410E-02
DAV: 2 -0.181677288437E+04 -0.76805E-04 -0.56828E-04 2080 0.224E-02 0.109E-01
DAV: 3 -0.181677278351E+04 0.10087E-03 -0.28412E-04 1904 0.149E-02 0.275E-02
DAV: 4 -0.181677278428E+04 -0.77691E-06 -0.35225E-05 1224 0.584E-03
345 T= 747. E= -.17857679E+04 F= -.18167728E+04 E0= -.18167639E+04 EK= 0.31005E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181686308917E+04 -0.90306E-01 -0.21342E-04 2464 0.373E-02 0.314E-02
DAV: 2 -0.181686308784E+04 0.13316E-05 -0.23687E-04 2000 0.157E-02 0.519E-02
DAV: 3 -0.181686306418E+04 0.23656E-04 -0.11803E-04 1430 0.101E-02 0.204E-02
DAV: 4 -0.181686305951E+04 0.46741E-05 -0.30081E-05 1112 0.616E-03
346 T= 749. E= -.17857679E+04 F= -.18168631E+04 E0= -.18168541E+04 EK= 0.31095E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181695340538E+04 -0.90341E-01 -0.29298E-04 2374 0.371E-02 0.383E-02
DAV: 2 -0.181695342734E+04 -0.21962E-04 -0.34080E-04 2072 0.194E-02 0.849E-02
DAV: 3 -0.181695338923E+04 0.38111E-04 -0.20087E-04 1696 0.124E-02 0.178E-02
DAV: 4 -0.181695338890E+04 0.32925E-06 -0.33109E-05 1160 0.601E-03
347 T= 752. E= -.17857679E+04 F= -.18169534E+04 E0= -.18169446E+04 EK= 0.31186E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181704381371E+04 -0.90424E-01 -0.20554E-04 2480 0.363E-02 0.329E-02
DAV: 2 -0.181704381805E+04 -0.43435E-05 -0.21435E-04 2072 0.161E-02 0.591E-02
DAV: 3 -0.181704379987E+04 0.18176E-04 -0.13096E-04 1464 0.103E-02 0.212E-02
DAV: 4 -0.181704379772E+04 0.21547E-05 -0.27041E-05 1104 0.601E-03
348 T= 754. E= -.17857679E+04 F= -.18170438E+04 E0= -.18170350E+04 EK= 0.31276E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181713430459E+04 -0.90505E-01 -0.16417E-04 2118 0.361E-02 0.264E-02
DAV: 2 -0.181713431128E+04 -0.66926E-05 -0.16685E-04 1888 0.150E-02 0.571E-02
DAV: 3 -0.181713428771E+04 0.23565E-04 -0.76994E-05 1392 0.844E-03 0.149E-02
DAV: 4 -0.181713428349E+04 0.42201E-05 -0.27300E-05 1144 0.602E-03
349 T= 756. E= -.17857679E+04 F= -.18171343E+04 E0= -.18171257E+04 EK= 0.31366E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181722484011E+04 -0.90552E-01 -0.18318E-04 2438 0.358E-02 0.268E-02
DAV: 2 -0.181722483499E+04 0.51247E-05 -0.14521E-04 2040 0.146E-02 0.330E-02
DAV: 3 -0.181722482739E+04 0.75963E-05 -0.79552E-05 1352 0.844E-03
350 T= 758. E= -.17857678E+04 F= -.18172248E+04 E0= -.18172161E+04 EK= 0.31457E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181731547078E+04 -0.90636E-01 -0.27744E-04 2134 0.392E-02 0.488E-02
DAV: 2 -0.181731558885E+04 -0.11807E-03 -0.69589E-04 2184 0.267E-02 0.154E-01
DAV: 3 -0.181731544183E+04 0.14702E-03 -0.44169E-04 1920 0.176E-02 0.132E-02
DAV: 4 -0.181731544277E+04 -0.93369E-06 -0.31843E-05 1568 0.711E-03
351 T= 760. E= -.17857678E+04 F= -.18173154E+04 E0= -.18173068E+04 EK= 0.31548E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181740615364E+04 -0.90712E-01 -0.14689E-04 1926 0.367E-02 0.400E-02
DAV: 2 -0.181740621462E+04 -0.60982E-04 -0.51756E-04 1952 0.204E-02 0.119E-01
DAV: 3 -0.181740613438E+04 0.80242E-04 -0.26050E-04 1520 0.136E-02 0.169E-02
DAV: 4 -0.181740613225E+04 0.21277E-05 -0.23311E-05 1152 0.499E-03
352 T= 763. E= -.17857678E+04 F= -.18174061E+04 E0= -.18173976E+04 EK= 0.31638E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181749688937E+04 -0.90755E-01 -0.16732E-04 2014 0.355E-02 0.299E-02
DAV: 2 -0.181749691515E+04 -0.25780E-04 -0.32371E-04 1904 0.165E-02 0.663E-02
DAV: 3 -0.181749687836E+04 0.36789E-04 -0.13381E-04 1448 0.101E-02 0.193E-02
DAV: 4 -0.181749687749E+04 0.87517E-06 -0.18442E-05 1024 0.416E-03
353 T= 765. E= -.17857678E+04 F= -.18174969E+04 E0= -.18174884E+04 EK= 0.31729E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181758770214E+04 -0.90824E-01 -0.17643E-04 2488 0.362E-02 0.232E-02
DAV: 2 -0.181758770649E+04 -0.43473E-05 -0.18414E-04 1912 0.142E-02 0.445E-02
DAV: 3 -0.181758769195E+04 0.14535E-04 -0.68145E-05 1224 0.800E-03 0.113E-02
DAV: 4 -0.181758768931E+04 0.26403E-05 -0.19398E-05 1192 0.628E-03
354 T= 767. E= -.17857678E+04 F= -.18175877E+04 E0= -.18175793E+04 EK= 0.31820E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181767858725E+04 -0.90895E-01 -0.15940E-04 2574 0.360E-02 0.261E-02
DAV: 2 -0.181767859646E+04 -0.92153E-05 -0.19869E-04 1952 0.144E-02 0.562E-02
DAV: 3 -0.181767857160E+04 0.24860E-04 -0.90373E-05 1376 0.884E-03 0.170E-02
DAV: 4 -0.181767856950E+04 0.21060E-05 -0.24662E-05 1080 0.570E-03
355 T= 769. E= -.17857678E+04 F= -.18176786E+04 E0= -.18176703E+04 EK= 0.31911E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181776952455E+04 -0.90953E-01 -0.17766E-04 2406 0.358E-02 0.286E-02
DAV: 2 -0.181776952130E+04 0.32513E-05 -0.17352E-04 2024 0.145E-02 0.402E-02
DAV: 3 -0.181776950776E+04 0.13537E-04 -0.93278E-05 1416 0.897E-03 0.143E-02
DAV: 4 -0.181776950571E+04 0.20561E-05 -0.20576E-05 1056 0.535E-03
356 T= 771. E= -.17857678E+04 F= -.18177695E+04 E0= -.18177611E+04 EK= 0.32002E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181786052290E+04 -0.91015E-01 -0.14352E-04 2254 0.358E-02 0.368E-02
DAV: 2 -0.181786054569E+04 -0.22794E-04 -0.27788E-04 2016 0.184E-02 0.834E-02
DAV: 3 -0.181786050638E+04 0.39316E-04 -0.19513E-04 1632 0.123E-02 0.199E-02
DAV: 4 -0.181786050440E+04 0.19729E-05 -0.27144E-05 1128 0.600E-03
357 T= 773. E= -.17857678E+04 F= -.18178605E+04 E0= -.18178522E+04 EK= 0.32093E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181795158531E+04 -0.91079E-01 -0.13476E-04 2320 0.360E-02 0.290E-02
DAV: 2 -0.181795158347E+04 0.18394E-05 -0.16876E-04 1976 0.146E-02 0.497E-02
DAV: 3 -0.181795156822E+04 0.15246E-04 -0.10444E-04 1344 0.935E-03 0.206E-02
DAV: 4 -0.181795156507E+04 0.31507E-05 -0.25048E-05 1112 0.558E-03
358 T= 776. E= -.17857678E+04 F= -.18179516E+04 E0= -.18179433E+04 EK= 0.32184E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181804270079E+04 -0.91133E-01 -0.18583E-04 2224 0.368E-02 0.326E-02
DAV: 2 -0.181804273150E+04 -0.30713E-04 -0.27636E-04 2008 0.182E-02 0.838E-02
DAV: 3 -0.181804268042E+04 0.51079E-04 -0.14474E-04 1608 0.110E-02 0.134E-02
DAV: 4 -0.181804267992E+04 0.49603E-06 -0.28882E-05 1176 0.600E-03
359 T= 778. E= -.17857678E+04 F= -.18180427E+04 E0= -.18180346E+04 EK= 0.32275E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181813386280E+04 -0.91182E-01 -0.14710E-04 2310 0.359E-02 0.228E-02
DAV: 2 -0.181813385771E+04 0.50918E-05 -0.95680E-05 1896 0.130E-02
360 T= 780. E= -.17857678E+04 F= -.18181339E+04 E0= -.18181257E+04 EK= 0.32366E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181822511393E+04 -0.91251E-01 -0.36772E-04 1974 0.405E-02 0.539E-02
DAV: 2 -0.181822533301E+04 -0.21909E-03 -0.10855E-03 2096 0.307E-02 0.192E-01
DAV: 3 -0.181822508426E+04 0.24876E-03 -0.63015E-04 2016 0.209E-02 0.177E-02
DAV: 4 -0.181822508868E+04 -0.44167E-05 -0.34464E-05 1448 0.630E-03
361 T= 782. E= -.17857678E+04 F= -.18182251E+04 E0= -.18182170E+04 EK= 0.32457E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181831638170E+04 -0.91297E-01 -0.43814E-04 1958 0.403E-02 0.375E-02
DAV: 2 -0.181831652234E+04 -0.14064E-03 -0.78464E-04 2152 0.255E-02 0.149E-01
DAV: 3 -0.181831636897E+04 0.15337E-03 -0.28937E-04 1976 0.152E-02 0.274E-02
DAV: 4 -0.181831636878E+04 0.19089E-06 -0.45051E-05 1400 0.645E-03
362 T= 784. E= -.17857678E+04 F= -.18183164E+04 E0= -.18183084E+04 EK= 0.32549E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181840771762E+04 -0.91349E-01 -0.30763E-04 1928 0.405E-02 0.340E-02
DAV: 2 -0.181840774728E+04 -0.29661E-04 -0.44498E-04 1984 0.202E-02 0.651E-02
DAV: 3 -0.181840771418E+04 0.33097E-04 -0.15622E-04 1512 0.108E-02 0.172E-02
DAV: 4 -0.181840770976E+04 0.44218E-05 -0.15771E-05 1160 0.593E-03
363 T= 787. E= -.17857678E+04 F= -.18184077E+04 E0= -.18183998E+04 EK= 0.32640E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181849913221E+04 -0.91418E-01 -0.19585E-04 2006 0.361E-02 0.415E-02
DAV: 2 -0.181849927939E+04 -0.14718E-03 -0.86917E-04 2296 0.257E-02 0.159E-01
DAV: 3 -0.181849910661E+04 0.17278E-03 -0.34267E-04 1976 0.164E-02 0.264E-02
DAV: 4 -0.181849910537E+04 0.12445E-05 -0.48503E-05 1488 0.683E-03
364 T= 789. E= -.17857678E+04 F= -.18184991E+04 E0= -.18184913E+04 EK= 0.32731E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181859056278E+04 -0.91456E-01 -0.19651E-04 1902 0.376E-02 0.369E-02
DAV: 2 -0.181859066986E+04 -0.10708E-03 -0.68943E-04 2240 0.233E-02 0.131E-01
DAV: 3 -0.181859054615E+04 0.12371E-03 -0.30640E-04 1976 0.149E-02 0.228E-02
DAV: 4 -0.181859054574E+04 0.41247E-06 -0.25150E-05 1216 0.509E-03
365 T= 791. E= -.17857678E+04 F= -.18185905E+04 E0= -.18185826E+04 EK= 0.32823E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181868204516E+04 -0.91499E-01 -0.26039E-04 2062 0.393E-02 0.375E-02
DAV: 2 -0.181868207875E+04 -0.33596E-04 -0.50173E-04 1992 0.211E-02 0.688E-02
DAV: 3 -0.181868203771E+04 0.41037E-04 -0.19703E-04 1680 0.122E-02 0.169E-02
DAV: 4 -0.181868203298E+04 0.47317E-05 -0.12883E-05 1136 0.550E-03
366 T= 793. E= -.17857678E+04 F= -.18186820E+04 E0= -.18186742E+04 EK= 0.32914E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181877358441E+04 -0.91547E-01 -0.22408E-04 2080 0.374E-02 0.360E-02
DAV: 2 -0.181877365242E+04 -0.68013E-04 -0.57427E-04 2168 0.226E-02 0.962E-02
DAV: 3 -0.181877357673E+04 0.75684E-04 -0.22185E-04 1870 0.130E-02 0.211E-02
DAV: 4 -0.181877357559E+04 0.11411E-05 -0.31515E-05 1224 0.637E-03
367 T= 795. E= -.17857678E+04 F= -.18187736E+04 E0= -.18187657E+04 EK= 0.33006E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181886519150E+04 -0.91615E-01 -0.27267E-04 2022 0.380E-02 0.374E-02
DAV: 2 -0.181886528499E+04 -0.93496E-04 -0.62027E-04 2216 0.228E-02 0.122E-01
DAV: 3 -0.181886517134E+04 0.11365E-03 -0.26805E-04 1848 0.143E-02 0.197E-02
DAV: 4 -0.181886517019E+04 0.11491E-05 -0.25361E-05 1232 0.531E-03
368 T= 798. E= -.17857678E+04 F= -.18188652E+04 E0= -.18188575E+04 EK= 0.33097E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181895680738E+04 -0.91636E-01 -0.30753E-04 2094 0.410E-02 0.238E-02
DAV: 2 -0.181895682119E+04 -0.13810E-04 -0.29024E-04 1944 0.167E-02 0.477E-02
DAV: 3 -0.181895680411E+04 0.17088E-04 -0.75235E-05 1232 0.787E-03 0.155E-02
DAV: 4 -0.181895679935E+04 0.47552E-05 -0.12750E-05 1016 0.503E-03
369 T= 800. E= -.17857678E+04 F= -.18189568E+04 E0= -.18189492E+04 EK= 0.33189E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181904850473E+04 -0.91701E-01 -0.26836E-04 2198 0.386E-02 0.344E-02
DAV: 2 -0.181904852211E+04 -0.17383E-04 -0.39454E-04 1960 0.184E-02 0.654E-02
DAV: 3 -0.181904848599E+04 0.36120E-04 -0.15979E-04 1544 0.110E-02 0.150E-02
DAV: 4 -0.181904847951E+04 0.64850E-05 -0.18920E-05 1184 0.614E-03
370 T= 802. E= -.17857678E+04 F= -.18190485E+04 E0= -.18190409E+04 EK= 0.33281E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181914024877E+04 -0.91763E-01 -0.24352E-04 2376 0.398E-02 0.547E-02
DAV: 2 -0.181914037767E+04 -0.12890E-03 -0.82995E-04 2272 0.270E-02 0.157E-01
DAV: 3 -0.181914021182E+04 0.16586E-03 -0.48314E-04 1744 0.199E-02 0.229E-02
DAV: 4 -0.181914021049E+04 0.13287E-05 -0.40235E-05 1488 0.644E-03
371 T= 804. E= -.17857678E+04 F= -.18191402E+04 E0= -.18191325E+04 EK= 0.33372E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181923200287E+04 -0.91791E-01 -0.17679E-04 2214 0.392E-02 0.262E-02
DAV: 2 -0.181923200573E+04 -0.28601E-05 -0.21815E-04 1968 0.166E-02 0.640E-02
DAV: 3 -0.181923198130E+04 0.24423E-04 -0.87492E-05 1398 0.903E-03 0.146E-02
DAV: 4 -0.181923197480E+04 0.65022E-05 -0.29871E-05 1272 0.737E-03
372 T= 807. E= -.17857678E+04 F= -.18192320E+04 E0= -.18192245E+04 EK= 0.33464E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181932380295E+04 -0.91822E-01 -0.21908E-04 2198 0.399E-02 0.385E-02
DAV: 2 -0.181932383720E+04 -0.34246E-04 -0.37117E-04 2064 0.208E-02 0.801E-02
DAV: 3 -0.181932378294E+04 0.54254E-04 -0.21307E-04 1816 0.128E-02 0.256E-02
DAV: 4 -0.181932378136E+04 0.15777E-05 -0.35272E-05 1192 0.642E-03
373 T= 809. E= -.17857678E+04 F= -.18193238E+04 E0= -.18193163E+04 EK= 0.33556E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181941567584E+04 -0.91893E-01 -0.31809E-04 2302 0.403E-02 0.399E-02
DAV: 2 -0.181941568516E+04 -0.93240E-05 -0.42980E-04 2216 0.220E-02 0.706E-02
DAV: 3 -0.181941564168E+04 0.43482E-04 -0.22252E-04 1880 0.132E-02 0.148E-02
DAV: 4 -0.181941563822E+04 0.34565E-05 -0.32513E-05 1264 0.673E-03
374 T= 811. E= -.17857678E+04 F= -.18194156E+04 E0= -.18194084E+04 EK= 0.33648E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181950756140E+04 -0.91920E-01 -0.23713E-04 2392 0.406E-02 0.389E-02
DAV: 2 -0.181950758482E+04 -0.23415E-04 -0.38357E-04 2056 0.210E-02 0.896E-02
DAV: 3 -0.181950753322E+04 0.51596E-04 -0.21008E-04 1776 0.134E-02 0.191E-02
DAV: 4 -0.181950752916E+04 0.40617E-05 -0.40556E-05 1360 0.713E-03
375 T= 813. E= -.17857678E+04 F= -.18195075E+04 E0= -.18195002E+04 EK= 0.33740E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181959947485E+04 -0.91942E-01 -0.16396E-04 2238 0.379E-02 0.267E-02
DAV: 2 -0.181959946653E+04 0.83163E-05 -0.14408E-04 1960 0.144E-02 0.332E-02
DAV: 3 -0.181959945702E+04 0.95100E-05 -0.75833E-05 1560 0.853E-03
376 T= 815. E= -.17857678E+04 F= -.18195995E+04 E0= -.18195922E+04 EK= 0.33832E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181969148789E+04 -0.92021E-01 -0.30348E-04 2404 0.419E-02 0.609E-02
DAV: 2 -0.181969169521E+04 -0.20732E-03 -0.12345E-03 2456 0.342E-02 0.203E-01
DAV: 3 -0.181969143147E+04 0.26373E-03 -0.74333E-04 2032 0.228E-02 0.169E-02
DAV: 4 -0.181969143020E+04 0.12701E-05 -0.51017E-05 1696 0.818E-03
377 T= 818. E= -.17857678E+04 F= -.18196914E+04 E0= -.18196842E+04 EK= 0.33924E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181978348220E+04 -0.92051E-01 -0.27763E-04 2408 0.410E-02 0.686E-02
DAV: 2 -0.181978374086E+04 -0.25865E-03 -0.16537E-03 2456 0.374E-02 0.221E-01
DAV: 3 -0.181978342638E+04 0.31448E-03 -0.82983E-04 2040 0.265E-02 0.253E-02
DAV: 4 -0.181978343075E+04 -0.43656E-05 -0.63378E-05 1704 0.784E-03
378 T= 820. E= -.17857677E+04 F= -.18197834E+04 E0= -.18197763E+04 EK= 0.34016E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181987548390E+04 -0.92058E-01 -0.21275E-04 1974 0.383E-02 0.565E-02
DAV: 2 -0.181987559481E+04 -0.11092E-03 -0.79337E-04 2136 0.262E-02 0.141E-01
DAV: 3 -0.181987546673E+04 0.12809E-03 -0.51161E-04 1880 0.199E-02 0.310E-02
DAV: 4 -0.181987546533E+04 0.13912E-05 -0.43673E-05 1448 0.672E-03
379 T= 822. E= -.17857677E+04 F= -.18198755E+04 E0= -.18198685E+04 EK= 0.34108E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181996756706E+04 -0.92100E-01 -0.29109E-04 1910 0.416E-02 0.307E-02
DAV: 2 -0.181996756635E+04 0.70757E-06 -0.24453E-04 1920 0.169E-02 0.419E-02
DAV: 3 -0.181996755190E+04 0.14451E-04 -0.93426E-05 1336 0.929E-03 0.237E-02
DAV: 4 -0.181996754436E+04 0.75437E-05 -0.26201E-05 1192 0.659E-03
380 T= 824. E= -.17857677E+04 F= -.18199675E+04 E0= -.18199605E+04 EK= 0.34200E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182005969168E+04 -0.92140E-01 -0.32933E-04 2078 0.414E-02 0.557E-02
DAV: 2 -0.182005987773E+04 -0.18605E-03 -0.10575E-03 2096 0.291E-02 0.171E-01
DAV: 3 -0.182005964687E+04 0.23086E-03 -0.55298E-04 2056 0.210E-02 0.234E-02
DAV: 4 -0.182005965166E+04 -0.47925E-05 -0.54281E-05 1536 0.758E-03
381 T= 826. E= -.17857677E+04 F= -.18200597E+04 E0= -.18200527E+04 EK= 0.34292E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182015181813E+04 -0.92171E-01 -0.26259E-04 2126 0.399E-02 0.417E-02
DAV: 2 -0.182015185128E+04 -0.33148E-04 -0.44052E-04 2072 0.207E-02 0.784E-02
DAV: 3 -0.182015179457E+04 0.56701E-04 -0.24757E-04 1784 0.139E-02 0.299E-02
DAV: 4 -0.182015179183E+04 0.27494E-05 -0.33240E-05 1232 0.602E-03
382 T= 829. E= -.17857677E+04 F= -.18201518E+04 E0= -.18201447E+04 EK= 0.34384E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182024400654E+04 -0.92212E-01 -0.30546E-04 2248 0.412E-02 0.609E-02
DAV: 2 -0.182024414010E+04 -0.13356E-03 -0.94152E-04 2248 0.306E-02 0.161E-01
DAV: 3 -0.182024396813E+04 0.17197E-03 -0.64633E-04 1998 0.218E-02 0.255E-02
DAV: 4 -0.182024396614E+04 0.19957E-05 -0.48020E-05 1568 0.727E-03
383 T= 831. E= -.17857677E+04 F= -.18202440E+04 E0= -.18202372E+04 EK= 0.34476E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182033620087E+04 -0.92233E-01 -0.26089E-04 2158 0.413E-02 0.500E-02
DAV: 2 -0.182033627463E+04 -0.73763E-04 -0.60627E-04 2056 0.249E-02 0.120E-01
DAV: 3 -0.182033617258E+04 0.10205E-03 -0.38346E-04 1912 0.180E-02 0.314E-02
DAV: 4 -0.182033616802E+04 0.45664E-05 -0.34196E-05 1352 0.674E-03
384 T= 833. E= -.17857677E+04 F= -.18203362E+04 E0= -.18203292E+04 EK= 0.34568E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182042841407E+04 -0.92241E-01 -0.32897E-04 2118 0.407E-02 0.454E-02
DAV: 2 -0.182042852308E+04 -0.10901E-03 -0.73580E-04 2056 0.257E-02 0.129E-01
DAV: 3 -0.182042838675E+04 0.13633E-03 -0.35580E-04 1952 0.168E-02 0.218E-02
DAV: 4 -0.182042838950E+04 -0.27520E-05 -0.51601E-05 1472 0.748E-03
385 T= 835. E= -.17857677E+04 F= -.18204284E+04 E0= -.18204217E+04 EK= 0.34661E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182052068271E+04 -0.92296E-01 -0.33243E-04 2032 0.415E-02 0.382E-02
DAV: 2 -0.182052069884E+04 -0.16121E-04 -0.33653E-04 1944 0.190E-02 0.672E-02
DAV: 3 -0.182052066041E+04 0.38430E-04 -0.17937E-04 1640 0.124E-02 0.289E-02
DAV: 4 -0.182052065434E+04 0.60614E-05 -0.38811E-05 1248 0.710E-03
386 T= 838. E= -.17857677E+04 F= -.18205207E+04 E0= -.18205139E+04 EK= 0.34753E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182061296653E+04 -0.92306E-01 -0.29564E-04 2040 0.421E-02 0.476E-02
DAV: 2 -0.182061304436E+04 -0.77835E-04 -0.57578E-04 2048 0.257E-02 0.127E-01
DAV: 3 -0.182061293870E+04 0.10566E-03 -0.36574E-04 1928 0.168E-02 0.188E-02
DAV: 4 -0.182061293385E+04 0.48507E-05 -0.40913E-05 1648 0.849E-03
387 T= 840. E= -.17857677E+04 F= -.18206129E+04 E0= -.18206064E+04 EK= 0.34845E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182070527300E+04 -0.92334E-01 -0.21516E-04 2006 0.399E-02 0.437E-02
DAV: 2 -0.182070531797E+04 -0.44966E-04 -0.55556E-04 2032 0.239E-02 0.994E-02
DAV: 3 -0.182070524744E+04 0.70532E-04 -0.29519E-04 1814 0.159E-02 0.263E-02
DAV: 4 -0.182070524502E+04 0.24151E-05 -0.31623E-05 1280 0.585E-03
388 T= 842. E= -.17857677E+04 F= -.18207052E+04 E0= -.18206986E+04 EK= 0.34938E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182079763793E+04 -0.92390E-01 -0.26167E-04 1976 0.403E-02 0.559E-02
DAV: 2 -0.182079775560E+04 -0.11767E-03 -0.10030E-03 2160 0.288E-02 0.131E-01
DAV: 3 -0.182079758955E+04 0.16605E-03 -0.53561E-04 2096 0.201E-02 0.355E-02
DAV: 4 -0.182079758903E+04 0.51963E-06 -0.47876E-05 1448 0.699E-03
389 T= 844. E= -.17857677E+04 F= -.18207976E+04 E0= -.18207911E+04 EK= 0.35030E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182088997697E+04 -0.92387E-01 -0.26707E-04 2174 0.413E-02 0.337E-02
DAV: 2 -0.182088998050E+04 -0.35293E-05 -0.34172E-04 1984 0.189E-02 0.558E-02
DAV: 3 -0.182088995005E+04 0.30449E-04 -0.14926E-04 1552 0.117E-02 0.143E-02
DAV: 4 -0.182088993957E+04 0.10475E-04 -0.35076E-05 1592 0.847E-03 0.976E-03
DAV: 5 -0.182088993451E+04 0.50663E-05 -0.70043E-06 1040 0.429E-03
390 T= 846. E= -.17857677E+04 F= -.18208899E+04 E0= -.18208834E+04 EK= 0.35122E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182098234536E+04 -0.92406E-01 -0.10079E-04 1676 0.364E-02 0.607E-02
DAV: 2 -0.182098255541E+04 -0.21005E-03 -0.11245E-03 2176 0.300E-02 0.189E-01
DAV: 3 -0.182098231163E+04 0.24378E-03 -0.74943E-04 2032 0.226E-02 0.155E-02
DAV: 4 -0.182098231605E+04 -0.44185E-05 -0.27017E-05 1480 0.565E-03
391 T= 849. E= -.17857677E+04 F= -.18209823E+04 E0= -.18209760E+04 EK= 0.35215E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182107476719E+04 -0.92456E-01 -0.10212E-04 1670 0.363E-02 0.510E-02
DAV: 2 -0.182107486598E+04 -0.98790E-04 -0.81602E-04 2064 0.237E-02 0.141E-01
DAV: 3 -0.182107473493E+04 0.13105E-03 -0.44120E-04 1664 0.181E-02 0.203E-02
DAV: 4 -0.182107473259E+04 0.23356E-05 -0.29940E-05 1240 0.516E-03
392 T= 851. E= -.17857677E+04 F= -.18210747E+04 E0= -.18210684E+04 EK= 0.35307E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182116716646E+04 -0.92432E-01 -0.21660E-04 2118 0.379E-02 0.350E-02
DAV: 2 -0.182116719085E+04 -0.24388E-04 -0.41592E-04 2024 0.199E-02 0.668E-02
DAV: 3 -0.182116714660E+04 0.44246E-04 -0.18942E-04 1616 0.127E-02 0.134E-02
DAV: 4 -0.182116714471E+04 0.18893E-05 -0.23004E-05 1328 0.567E-03
393 T= 853. E= -.17857677E+04 F= -.18211671E+04 E0= -.18211609E+04 EK= 0.35399E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182125962008E+04 -0.92473E-01 -0.18367E-04 2222 0.385E-02 0.365E-02
DAV: 2 -0.182125968147E+04 -0.61382E-04 -0.44947E-04 2112 0.234E-02 0.105E-01
DAV: 3 -0.182125959483E+04 0.86633E-04 -0.23410E-04 1664 0.153E-02 0.174E-02
DAV: 4 -0.182125959385E+04 0.98614E-06 -0.33801E-05 1352 0.654E-03
394 T= 855. E= -.17857677E+04 F= -.18212596E+04 E0= -.18212533E+04 EK= 0.35492E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182135208501E+04 -0.92490E-01 -0.10678E-04 1942 0.370E-02 0.283E-02
DAV: 2 -0.182135210072E+04 -0.15712E-04 -0.22659E-04 1928 0.164E-02 0.661E-02
DAV: 3 -0.182135206711E+04 0.33615E-04 -0.12094E-04 1520 0.107E-02 0.166E-02
DAV: 4 -0.182135206141E+04 0.57031E-05 -0.20384E-05 1152 0.538E-03
395 T= 858. E= -.17857677E+04 F= -.18213521E+04 E0= -.18213459E+04 EK= 0.35584E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182144454986E+04 -0.92483E-01 -0.22963E-04 2080 0.382E-02 0.383E-02
DAV: 2 -0.182144459406E+04 -0.44196E-04 -0.42760E-04 1984 0.202E-02 0.833E-02
DAV: 3 -0.182144453432E+04 0.59735E-04 -0.22443E-04 1744 0.133E-02 0.206E-02
DAV: 4 -0.182144453421E+04 0.11567E-06 -0.33972E-05 1192 0.619E-03
396 T= 860. E= -.17857677E+04 F= -.18214445E+04 E0= -.18214383E+04 EK= 0.35677E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182153705528E+04 -0.92521E-01 -0.25301E-04 2304 0.398E-02 0.375E-02
DAV: 2 -0.182153709354E+04 -0.38259E-04 -0.41647E-04 2048 0.198E-02 0.794E-02
DAV: 3 -0.182153703752E+04 0.56016E-04 -0.20562E-04 1768 0.130E-02 0.245E-02
DAV: 4 -0.182153703616E+04 0.13656E-05 -0.34307E-05 1200 0.632E-03
397 T= 862. E= -.17857677E+04 F= -.18215370E+04 E0= -.18215311E+04 EK= 0.35769E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182162957321E+04 -0.92536E-01 -0.29904E-04 2062 0.398E-02 0.308E-02
DAV: 2 -0.182162959203E+04 -0.18825E-04 -0.30318E-04 1952 0.195E-02 0.722E-02
DAV: 3 -0.182162955574E+04 0.36288E-04 -0.13734E-04 1592 0.113E-02 0.145E-02
DAV: 4 -0.182162955247E+04 0.32735E-05 -0.29447E-05 1224 0.631E-03
398 T= 864. E= -.17857677E+04 F= -.18216296E+04 E0= -.18216235E+04 EK= 0.35862E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182172209196E+04 -0.92536E-01 -0.22430E-04 2248 0.389E-02 0.273E-02
DAV: 2 -0.182172209533E+04 -0.33667E-05 -0.20794E-04 1960 0.163E-02 0.451E-02
DAV: 3 -0.182172207986E+04 0.15470E-04 -0.94184E-05 1440 0.973E-03 0.158E-02
DAV: 4 -0.182172207700E+04 0.28561E-05 -0.25057E-05 1184 0.599E-03
399 T= 867. E= -.17857677E+04 F= -.18217221E+04 E0= -.18217161E+04 EK= 0.35954E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182181464547E+04 -0.92566E-01 -0.19150E-04 2092 0.389E-02 0.341E-02
DAV: 2 -0.182181467897E+04 -0.33496E-04 -0.34578E-04 2008 0.191E-02 0.816E-02
DAV: 3 -0.182181462516E+04 0.53812E-04 -0.17743E-04 1672 0.119E-02 0.168E-02
DAV: 4 -0.182181462373E+04 0.14307E-05 -0.33692E-05 1176 0.654E-03
400 T= 869. E= -.17857677E+04 F= -.18218146E+04 E0= -.18218086E+04 EK= 0.36047E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182190720986E+04 -0.92585E-01 -0.20707E-04 2446 0.385E-02 0.379E-02
DAV: 2 -0.182190724568E+04 -0.35814E-04 -0.40121E-04 2104 0.192E-02 0.863E-02
DAV: 3 -0.182190718307E+04 0.62607E-04 -0.20907E-04 1744 0.129E-02 0.210E-02
DAV: 4 -0.182190718074E+04 0.23340E-05 -0.35290E-05 1240 0.628E-03
401 T= 871. E= -.17857677E+04 F= -.18219072E+04 E0= -.18219015E+04 EK= 0.36140E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182199976082E+04 -0.92578E-01 -0.23831E-04 2048 0.393E-02 0.238E-02
DAV: 2 -0.182199976218E+04 -0.13565E-05 -0.18750E-04 1904 0.163E-02 0.455E-02
DAV: 3 -0.182199974766E+04 0.14518E-04 -0.67605E-05 1304 0.843E-03 0.128E-02
DAV: 4 -0.182199974396E+04 0.36997E-05 -0.25472E-05 1216 0.652E-03
402 T= 873. E= -.17857676E+04 F= -.18219997E+04 E0= -.18219940E+04 EK= 0.36232E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182209233627E+04 -0.92589E-01 -0.18242E-04 2358 0.387E-02 0.302E-02
DAV: 2 -0.182209234311E+04 -0.68439E-05 -0.21553E-04 1984 0.165E-02 0.502E-02
DAV: 3 -0.182209232439E+04 0.18727E-04 -0.11037E-04 1462 0.103E-02 0.183E-02
DAV: 4 -0.182209232200E+04 0.23868E-05 -0.33551E-05 1304 0.656E-03
403 T= 875. E= -.17857676E+04 F= -.18220923E+04 E0= -.18220867E+04 EK= 0.36325E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182218493906E+04 -0.92615E-01 -0.21345E-04 2064 0.391E-02 0.353E-02
DAV: 2 -0.182218495479E+04 -0.15727E-04 -0.31817E-04 1984 0.188E-02 0.657E-02
DAV: 3 -0.182218491635E+04 0.38434E-04 -0.16286E-04 1640 0.116E-02 0.162E-02
DAV: 4 -0.182218491530E+04 0.10535E-05 -0.38699E-05 1208 0.675E-03
404 T= 878. E= -.17857676E+04 F= -.18221849E+04 E0= -.18221791E+04 EK= 0.36417E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182227754182E+04 -0.92625E-01 -0.16590E-04 2238 0.386E-02 0.402E-02
DAV: 2 -0.182227757364E+04 -0.31818E-04 -0.37803E-04 2104 0.193E-02 0.838E-02
DAV: 3 -0.182227751475E+04 0.58892E-04 -0.22250E-04 1760 0.134E-02 0.244E-02
DAV: 4 -0.182227751212E+04 0.26297E-05 -0.36693E-05 1224 0.657E-03
405 T= 880. E= -.17857676E+04 F= -.18222775E+04 E0= -.18222720E+04 EK= 0.36510E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182237013370E+04 -0.92619E-01 -0.20744E-04 2118 0.397E-02 0.259E-02
DAV: 2 -0.182237012994E+04 0.37594E-05 -0.18179E-04 1928 0.159E-02 0.377E-02
DAV: 3 -0.182237011795E+04 0.11987E-04 -0.75074E-05 1392 0.892E-03 0.130E-02
DAV: 4 -0.182237011412E+04 0.38292E-05 -0.27066E-05 1264 0.644E-03
406 T= 882. E= -.17857676E+04 F= -.18223701E+04 E0= -.18223647E+04 EK= 0.36602E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182246275956E+04 -0.92642E-01 -0.16858E-04 2464 0.388E-02 0.300E-02
DAV: 2 -0.182246274966E+04 0.98952E-05 -0.18915E-04 2080 0.156E-02 0.390E-02
DAV: 3 -0.182246273460E+04 0.15067E-04 -0.92347E-05 1496 0.942E-03 0.122E-02
DAV: 4 -0.182246272774E+04 0.68519E-05 -0.20427E-05 1160 0.568E-03
407 T= 884. E= -.17857676E+04 F= -.18224627E+04 E0= -.18224573E+04 EK= 0.36695E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182255537599E+04 -0.92641E-01 -0.10168E-04 1958 0.371E-02 0.324E-02
DAV: 2 -0.182255539139E+04 -0.15402E-04 -0.26720E-04 1976 0.176E-02 0.701E-02
DAV: 3 -0.182255535332E+04 0.38067E-04 -0.14686E-04 1408 0.117E-02 0.176E-02
DAV: 4 -0.182255535030E+04 0.30197E-05 -0.29995E-05 1232 0.635E-03
408 T= 887. E= -.17857676E+04 F= -.18225554E+04 E0= -.18225499E+04 EK= 0.36788E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182264798749E+04 -0.92634E-01 -0.10780E-04 1988 0.374E-02 0.248E-02
DAV: 2 -0.182264798466E+04 0.28309E-05 -0.15147E-04 1912 0.144E-02 0.390E-02
DAV: 3 -0.182264797261E+04 0.12044E-04 -0.71156E-05 1280 0.847E-03 0.133E-02
DAV: 4 -0.182264797105E+04 0.15612E-05 -0.27765E-05 1168 0.626E-03
409 T= 889. E= -.17857676E+04 F= -.18226480E+04 E0= -.18226426E+04 EK= 0.36880E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182274062879E+04 -0.92656E-01 -0.18216E-04 1984 0.395E-02 0.298E-02
DAV: 2 -0.182274062589E+04 0.28974E-05 -0.19109E-04 1928 0.165E-02 0.453E-02
DAV: 3 -0.182274060848E+04 0.17410E-04 -0.99954E-05 1600 0.959E-03 0.177E-02
DAV: 4 -0.182274060446E+04 0.40224E-05 -0.28922E-05 1128 0.619E-03
410 T= 891. E= -.17857676E+04 F= -.18227406E+04 E0= -.18227352E+04 EK= 0.36973E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182283326811E+04 -0.92660E-01 -0.17982E-04 2364 0.389E-02 0.301E-02
DAV: 2 -0.182283326166E+04 0.64588E-05 -0.21645E-04 2080 0.165E-02 0.460E-02
DAV: 3 -0.182283324189E+04 0.19767E-04 -0.10477E-04 1552 0.989E-03 0.121E-02
DAV: 4 -0.182283323676E+04 0.51272E-05 -0.24399E-05 1240 0.604E-03
411 T= 893. E= -.17857676E+04 F= -.18228332E+04 E0= -.18228281E+04 EK= 0.37066E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182292589394E+04 -0.92652E-01 -0.13252E-04 2022 0.381E-02 0.359E-02
DAV: 2 -0.182292592458E+04 -0.30640E-04 -0.36156E-04 1944 0.209E-02 0.844E-02
DAV: 3 -0.182292587186E+04 0.52716E-04 -0.19571E-04 1664 0.134E-02 0.155E-02
DAV: 4 -0.182292587135E+04 0.51377E-06 -0.35203E-05 1256 0.631E-03
412 T= 896. E= -.17857676E+04 F= -.18229259E+04 E0= -.18229207E+04 EK= 0.37158E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182301853639E+04 -0.92665E-01 -0.11932E-04 2094 0.384E-02 0.268E-02
DAV: 2 -0.182301853346E+04 0.29262E-05 -0.17441E-04 1920 0.151E-02 0.469E-02
DAV: 3 -0.182301851568E+04 0.17778E-04 -0.89952E-05 1376 0.938E-03 0.139E-02
DAV: 4 -0.182301851159E+04 0.40951E-05 -0.29584E-05 1232 0.633E-03
413 T= 898. E= -.17857676E+04 F= -.18230185E+04 E0= -.18230134E+04 EK= 0.37251E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182311117149E+04 -0.92656E-01 -0.17361E-04 2056 0.388E-02 0.252E-02
DAV: 2 -0.182311115973E+04 0.11762E-04 -0.12415E-04 1920 0.147E-02 0.281E-02
DAV: 3 -0.182311115343E+04 0.63024E-05 -0.58313E-05 1480 0.817E-03
414 T= 900. E= -.17857676E+04 F= -.18231112E+04 E0= -.18231062E+04 EK= 0.37344E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182320381562E+04 -0.92656E-01 -0.33634E-04 2222 0.419E-02 0.533E-02
DAV: 2 -0.182320398129E+04 -0.16567E-03 -0.93579E-04 2264 0.306E-02 0.165E-01
DAV: 3 -0.182320377904E+04 0.20225E-03 -0.49525E-04 2016 0.204E-02 0.137E-02
DAV: 4 -0.182320378287E+04 -0.38312E-05 -0.43778E-05 1768 0.757E-03
415 T= 902. E= -.17857676E+04 F= -.18232038E+04 E0= -.18231989E+04 EK= 0.37436E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182329645826E+04 -0.92679E-01 -0.16107E-04 2030 0.393E-02 0.578E-02
DAV: 2 -0.182329662327E+04 -0.16501E-03 -0.96113E-04 2272 0.301E-02 0.164E-01
DAV: 3 -0.182329642326E+04 0.20002E-03 -0.62842E-04 1910 0.222E-02 0.160E-02
DAV: 4 -0.182329642622E+04 -0.29626E-05 -0.43656E-05 1568 0.660E-03
416 T= 904. E= -.17857676E+04 F= -.18232964E+04 E0= -.18232916E+04 EK= 0.37529E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182338909092E+04 -0.92668E-01 -0.10714E-04 1798 0.380E-02 0.339E-02
DAV: 2 -0.182338911194E+04 -0.21020E-04 -0.29914E-04 1944 0.179E-02 0.679E-02
DAV: 3 -0.182338907259E+04 0.39358E-04 -0.16353E-04 1400 0.125E-02 0.217E-02
DAV: 4 -0.182338906807E+04 0.45203E-05 -0.27004E-05 1232 0.525E-03
417 T= 907. E= -.17857676E+04 F= -.18233891E+04 E0= -.18233842E+04 EK= 0.37621E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182348170245E+04 -0.92630E-01 -0.13630E-04 1952 0.385E-02 0.250E-02
DAV: 2 -0.182348171417E+04 -0.11719E-04 -0.20085E-04 1912 0.154E-02 0.499E-02
DAV: 3 -0.182348169491E+04 0.19261E-04 -0.68981E-05 1424 0.796E-03 0.141E-02
DAV: 4 -0.182348169314E+04 0.17711E-05 -0.18911E-05 1072 0.523E-03
418 T= 909. E= -.17857676E+04 F= -.18234817E+04 E0= -.18234770E+04 EK= 0.37714E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182357435146E+04 -0.92657E-01 -0.20566E-04 2550 0.405E-02 0.281E-02
DAV: 2 -0.182357435250E+04 -0.10447E-05 -0.22146E-04 1952 0.169E-02 0.454E-02
DAV: 3 -0.182357433382E+04 0.18688E-04 -0.10648E-04 1544 0.990E-03 0.140E-02
DAV: 4 -0.182357432996E+04 0.38601E-05 -0.22328E-05 1104 0.553E-03
419 T= 911. E= -.17857676E+04 F= -.18235743E+04 E0= -.18235697E+04 EK= 0.37807E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182366698877E+04 -0.92655E-01 -0.19884E-04 2478 0.384E-02 0.337E-02
DAV: 2 -0.182366698887E+04 -0.97236E-07 -0.26335E-04 2024 0.179E-02 0.492E-02
DAV: 3 -0.182366696331E+04 0.25555E-04 -0.14846E-04 1702 0.112E-02 0.125E-02
DAV: 4 -0.182366695574E+04 0.75719E-05 -0.19547E-05 1152 0.602E-03
420 T= 913. E= -.17857676E+04 F= -.18236670E+04 E0= -.18236623E+04 EK= 0.37899E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182375959328E+04 -0.92630E-01 -0.16456E-04 2152 0.382E-02 0.416E-02
DAV: 2 -0.182375968060E+04 -0.87317E-04 -0.55956E-04 2128 0.227E-02 0.116E-01
DAV: 3 -0.182375957090E+04 0.10970E-03 -0.32039E-04 1832 0.151E-02 0.139E-02
DAV: 4 -0.182375957381E+04 -0.29095E-05 -0.33953E-05 1296 0.609E-03
421 T= 916. E= -.17857676E+04 F= -.18237596E+04 E0= -.18237549E+04 EK= 0.37992E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182385222516E+04 -0.92654E-01 -0.15610E-04 2208 0.389E-02 0.364E-02
DAV: 2 -0.182385228582E+04 -0.60668E-04 -0.44406E-04 2144 0.199E-02 0.104E-01
DAV: 3 -0.182385219784E+04 0.87987E-04 -0.22719E-04 1624 0.135E-02 0.129E-02
DAV: 4 -0.182385219701E+04 0.82854E-06 -0.33063E-05 1328 0.630E-03
422 T= 918. E= -.17857676E+04 F= -.18238522E+04 E0= -.18238478E+04 EK= 0.38085E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182394483285E+04 -0.92635E-01 -0.18725E-04 2182 0.398E-02 0.260E-02
DAV: 2 -0.182394482856E+04 0.42833E-05 -0.16624E-04 1880 0.160E-02 0.370E-02
DAV: 3 -0.182394481550E+04 0.13062E-04 -0.78257E-05 1360 0.912E-03 0.165E-02
DAV: 4 -0.182394480970E+04 0.57993E-05 -0.28382E-05 1288 0.634E-03
423 T= 920. E= -.17857676E+04 F= -.18239448E+04 E0= -.18239404E+04 EK= 0.38177E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182403742099E+04 -0.92605E-01 -0.15743E-04 2270 0.388E-02 0.299E-02
DAV: 2 -0.182403742168E+04 -0.69221E-06 -0.19214E-04 2016 0.169E-02 0.408E-02
DAV: 3 -0.182403740654E+04 0.15146E-04 -0.10879E-04 1616 0.101E-02 0.137E-02
DAV: 4 -0.182403740468E+04 0.18595E-05 -0.20942E-05 1072 0.540E-03
424 T= 922. E= -.17857676E+04 F= -.18240374E+04 E0= -.18240330E+04 EK= 0.38270E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182413003901E+04 -0.92632E-01 -0.15174E-04 1910 0.398E-02 0.395E-02
DAV: 2 -0.182413009649E+04 -0.57474E-04 -0.45437E-04 2008 0.221E-02 0.104E-01
DAV: 3 -0.182413000975E+04 0.86737E-04 -0.26472E-04 1856 0.140E-02 0.155E-02
DAV: 4 -0.182413000894E+04 0.81131E-06 -0.33655E-05 1248 0.643E-03
425 T= 925. E= -.17857676E+04 F= -.18241300E+04 E0= -.18241256E+04 EK= 0.38362E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182422262832E+04 -0.92619E-01 -0.17649E-04 2350 0.387E-02 0.433E-02
DAV: 2 -0.182422268714E+04 -0.58811E-04 -0.50241E-04 2264 0.218E-02 0.103E-01
DAV: 3 -0.182422259761E+04 0.89521E-04 -0.28822E-04 1832 0.148E-02 0.203E-02
DAV: 4 -0.182422259669E+04 0.92693E-06 -0.39502E-05 1344 0.667E-03
426 T= 927. E= -.17857676E+04 F= -.18242226E+04 E0= -.18242185E+04 EK= 0.38455E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182431517283E+04 -0.92575E-01 -0.23450E-04 2240 0.404E-02 0.246E-02
DAV: 2 -0.182431518066E+04 -0.78280E-05 -0.18632E-04 1896 0.165E-02 0.429E-02
DAV: 3 -0.182431516616E+04 0.14496E-04 -0.78249E-05 1464 0.906E-03 0.133E-02
DAV: 4 -0.182431516503E+04 0.11335E-05 -0.25766E-05 1208 0.570E-03
427 T= 929. E= -.17857675E+04 F= -.18243152E+04 E0= -.18243110E+04 EK= 0.38548E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182440776147E+04 -0.92595E-01 -0.19004E-04 2342 0.395E-02 0.285E-02
DAV: 2 -0.182440775889E+04 0.25718E-05 -0.18178E-04 2000 0.163E-02 0.421E-02
DAV: 3 -0.182440774413E+04 0.14769E-04 -0.96235E-05 1576 0.991E-03 0.174E-02
DAV: 4 -0.182440773937E+04 0.47594E-05 -0.24732E-05 1112 0.571E-03
428 T= 931. E= -.17857675E+04 F= -.18244077E+04 E0= -.18244037E+04 EK= 0.38640E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182450032415E+04 -0.92580E-01 -0.17367E-04 2086 0.395E-02 0.356E-02
DAV: 2 -0.182450035080E+04 -0.26649E-04 -0.33665E-04 1976 0.197E-02 0.742E-02
DAV: 3 -0.182450030097E+04 0.49826E-04 -0.18747E-04 1784 0.120E-02 0.169E-02
DAV: 4 -0.182450029876E+04 0.22181E-05 -0.31905E-05 1184 0.638E-03
429 T= 933. E= -.17857675E+04 F= -.18245003E+04 E0= -.18244961E+04 EK= 0.38733E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182459285162E+04 -0.92551E-01 -0.19445E-04 2462 0.393E-02 0.393E-02
DAV: 2 -0.182459288388E+04 -0.32262E-04 -0.37469E-04 2168 0.195E-02 0.754E-02
DAV: 3 -0.182459283366E+04 0.50218E-04 -0.21655E-04 1806 0.129E-02 0.222E-02
DAV: 4 -0.182459283331E+04 0.35029E-06 -0.32201E-05 1192 0.597E-03
430 T= 936. E= -.17857675E+04 F= -.18245928E+04 E0= -.18245890E+04 EK= 0.38825E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182468539834E+04 -0.92565E-01 -0.23123E-04 2302 0.410E-02 0.250E-02
DAV: 2 -0.182468539656E+04 0.17775E-05 -0.20035E-04 1920 0.165E-02 0.424E-02
DAV: 3 -0.182468537950E+04 0.17057E-04 -0.84397E-05 1464 0.946E-03 0.138E-02
DAV: 4 -0.182468537444E+04 0.50624E-05 -0.25727E-05 1208 0.587E-03
431 T= 938. E= -.17857675E+04 F= -.18246854E+04 E0= -.18246815E+04 EK= 0.38918E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182477791865E+04 -0.92539E-01 -0.18457E-04 2536 0.383E-02 0.286E-02
DAV: 2 -0.182477791169E+04 0.69515E-05 -0.16648E-04 1976 0.154E-02 0.351E-02
DAV: 3 -0.182477789773E+04 0.13961E-04 -0.93565E-05 1616 0.959E-03 0.121E-02
DAV: 4 -0.182477788983E+04 0.79020E-05 -0.17837E-05 1112 0.574E-03
432 T= 940. E= -.17857675E+04 F= -.18247779E+04 E0= -.18247741E+04 EK= 0.39010E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182487039676E+04 -0.92499E-01 -0.82396E-05 1904 0.375E-02 0.259E-02
DAV: 2 -0.182487041989E+04 -0.23128E-04 -0.20133E-04 1912 0.149E-02 0.613E-02
DAV: 3 -0.182487039071E+04 0.29184E-04 -0.98900E-05 1352 0.876E-03 0.109E-02
DAV: 4 -0.182487039014E+04 0.56891E-06 -0.15063E-05 1032 0.488E-03
433 T= 942. E= -.17857675E+04 F= -.18248704E+04 E0= -.18248666E+04 EK= 0.39103E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182496291966E+04 -0.92529E-01 -0.11362E-04 2350 0.378E-02 0.263E-02
DAV: 2 -0.182496292653E+04 -0.68696E-05 -0.20204E-04 1928 0.145E-02 0.554E-02
DAV: 3 -0.182496289927E+04 0.27266E-04 -0.95963E-05 1382 0.880E-03 0.145E-02
DAV: 4 -0.182496289375E+04 0.55164E-05 -0.20760E-05 1136 0.569E-03
434 T= 945. E= -.17857675E+04 F= -.18249629E+04 E0= -.18249593E+04 EK= 0.39195E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182505538000E+04 -0.92481E-01 -0.18860E-04 2276 0.394E-02 0.260E-02
DAV: 2 -0.182505538234E+04 -0.23470E-05 -0.20735E-04 1912 0.164E-02 0.395E-02
DAV: 3 -0.182505536565E+04 0.16695E-04 -0.94517E-05 1456 0.947E-03 0.119E-02
DAV: 4 -0.182505536235E+04 0.32979E-05 -0.24371E-05 1256 0.606E-03
435 T= 947. E= -.17857675E+04 F= -.18250554E+04 E0= -.18250518E+04 EK= 0.39288E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182514783746E+04 -0.92472E-01 -0.16669E-04 2510 0.397E-02 0.280E-02
DAV: 2 -0.182514783645E+04 0.10139E-05 -0.19119E-04 2104 0.165E-02 0.426E-02
DAV: 3 -0.182514782118E+04 0.15267E-04 -0.96336E-05 1672 0.908E-03 0.136E-02
DAV: 4 -0.182514782035E+04 0.83366E-06 -0.20143E-05 1032 0.509E-03
436 T= 949. E= -.17857675E+04 F= -.18251478E+04 E0= -.18251444E+04 EK= 0.39380E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182524030631E+04 -0.92485E-01 -0.12125E-04 2126 0.390E-02 0.233E-02
DAV: 2 -0.182524029261E+04 0.13692E-04 -0.12802E-04 1896 0.136E-02 0.312E-02
DAV: 3 -0.182524028045E+04 0.12168E-04 -0.56717E-05 1254 0.785E-03 0.112E-02
DAV: 4 -0.182524026960E+04 0.10848E-04 -0.23183E-05 1288 0.662E-03 0.787E-03
DAV: 5 -0.182524026660E+04 0.30017E-05 -0.84969E-06 1000 0.366E-03
437 T= 951. E= -.17857675E+04 F= -.18252403E+04 E0= -.18252367E+04 EK= 0.39473E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182533269161E+04 -0.92422E-01 -0.29370E-05 1350 0.345E-02 0.211E-02
DAV: 2 -0.182533270716E+04 -0.15553E-04 -0.12371E-04 1776 0.123E-02 0.475E-02
DAV: 3 -0.182533268907E+04 0.18091E-04 -0.72056E-05 1296 0.818E-03 0.101E-02
DAV: 4 -0.182533268838E+04 0.68943E-06 -0.78336E-06 992 0.320E-03
438 T= 954. E= -.17857675E+04 F= -.18253327E+04 E0= -.18253293E+04 EK= 0.39565E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182542511025E+04 -0.92421E-01 -0.19870E-05 1264 0.348E-02 0.154E-02
DAV: 2 -0.182542510917E+04 0.10789E-05 -0.70597E-05 1720 0.906E-03
439 T= 956. E= -.17857675E+04 F= -.18254251E+04 E0= -.18254219E+04 EK= 0.39658E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182551754067E+04 -0.92430E-01 -0.75042E-05 1870 0.368E-02 0.257E-02
DAV: 2 -0.182551755026E+04 -0.95986E-05 -0.19800E-04 1888 0.148E-02 0.644E-02
DAV: 3 -0.182551751707E+04 0.33198E-04 -0.99636E-05 1408 0.944E-03 0.123E-02
DAV: 4 -0.182551750368E+04 0.13386E-04 -0.14158E-05 1160 0.519E-03 0.954E-03
DAV: 5 -0.182551749199E+04 0.11688E-04 -0.20165E-05 1256 0.548E-03 0.106E-02
DAV: 6 -0.182551748644E+04 0.55489E-05 -0.11217E-05 1080 0.391E-03
440 T= 958. E= -.17857675E+04 F= -.18255175E+04 E0= -.18255142E+04 EK= 0.39750E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182560992103E+04 -0.92429E-01 -0.54940E-05 1788 0.412E-02 0.316E-02
DAV: 2 -0.182560992907E+04 -0.80443E-05 -0.21212E-04 1864 0.172E-02 0.621E-02
DAV: 3 -0.182560989360E+04 0.35467E-04 -0.13276E-04 1520 0.116E-02 0.177E-02
DAV: 4 -0.182560988388E+04 0.97237E-05 -0.21572E-05 1208 0.542E-03
441 T= 960. E= -.17857675E+04 F= -.18256099E+04 E0= -.18256067E+04 EK= 0.39842E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182570228982E+04 -0.92396E-01 -0.23026E-04 1958 0.371E-02 0.309E-02
DAV: 2 -0.182570228445E+04 0.53753E-05 -0.33377E-04 1984 0.181E-02 0.519E-02
DAV: 3 -0.182570224918E+04 0.35273E-04 -0.14094E-04 1544 0.114E-02 0.137E-02
DAV: 4 -0.182570222912E+04 0.20051E-04 -0.22757E-05 1328 0.632E-03 0.137E-02
DAV: 5 -0.182570222034E+04 0.87857E-05 -0.18397E-05 1144 0.502E-03
442 T= 962. E= -.17857675E+04 F= -.18257022E+04 E0= -.18256991E+04 EK= 0.39935E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182579457599E+04 -0.92347E-01 -0.71750E-05 1582 0.396E-02 0.343E-02
DAV: 2 -0.182579461516E+04 -0.39165E-04 -0.37728E-04 1816 0.185E-02 0.805E-02
DAV: 3 -0.182579455346E+04 0.61696E-04 -0.19443E-04 1612 0.123E-02 0.158E-02
DAV: 4 -0.182579455245E+04 0.10094E-05 -0.22087E-05 1176 0.516E-03
443 T= 965. E= -.17857675E+04 F= -.18257946E+04 E0= -.18257916E+04 EK= 0.40027E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182588692677E+04 -0.92373E-01 -0.20115E-04 2078 0.374E-02 0.414E-02
DAV: 2 -0.182588695653E+04 -0.29761E-04 -0.48262E-04 1992 0.196E-02 0.830E-02
DAV: 3 -0.182588689047E+04 0.66064E-04 -0.25028E-04 1768 0.136E-02 0.243E-02
DAV: 4 -0.182588688132E+04 0.91426E-05 -0.35155E-05 1328 0.678E-03
444 T= 967. E= -.17857675E+04 F= -.18258869E+04 E0= -.18258838E+04 EK= 0.40119E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182597914377E+04 -0.92253E-01 -0.19372E-04 2024 0.385E-02 0.274E-02
DAV: 2 -0.182597916156E+04 -0.17796E-04 -0.26389E-04 1920 0.158E-02 0.467E-02
DAV: 3 -0.182597914111E+04 0.20451E-04 -0.10381E-04 1368 0.970E-03 0.113E-02
DAV: 4 -0.182597913994E+04 0.11766E-05 -0.11516E-05 1000 0.366E-03
445 T= 969. E= -.17857675E+04 F= -.18259791E+04 E0= -.18259762E+04 EK= 0.40212E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182607142650E+04 -0.92285E-01 -0.17745E-04 2454 0.387E-02 0.284E-02
DAV: 2 -0.182607143512E+04 -0.86286E-05 -0.24461E-04 1928 0.153E-02 0.432E-02
DAV: 3 -0.182607141652E+04 0.18608E-04 -0.95014E-05 1408 0.908E-03 0.133E-02
DAV: 4 -0.182607141328E+04 0.32399E-05 -0.13685E-05 1032 0.433E-03
446 T= 971. E= -.17857675E+04 F= -.18260714E+04 E0= -.18260684E+04 EK= 0.40304E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182616371564E+04 -0.92299E-01 -0.68277E-05 1916 0.372E-02 0.343E-02
DAV: 2 -0.182616371177E+04 0.38683E-05 -0.26338E-04 2152 0.155E-02 0.446E-02
DAV: 3 -0.182616368508E+04 0.26691E-04 -0.12286E-04 1472 0.106E-02 0.184E-02
DAV: 4 -0.182616367118E+04 0.13898E-04 -0.21957E-05 1192 0.618E-03 0.159E-02
DAV: 5 -0.182616366128E+04 0.98996E-05 -0.22974E-05 1144 0.561E-03
447 T= 974. E= -.17857675E+04 F= -.18261637E+04 E0= -.18261607E+04 EK= 0.40396E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182625587038E+04 -0.92199E-01 -0.64280E-05 1806 0.377E-02 0.307E-02
DAV: 2 -0.182625588783E+04 -0.17445E-04 -0.18794E-04 1896 0.138E-02 0.426E-02
DAV: 3 -0.182625587140E+04 0.16427E-04 -0.98524E-05 1296 0.968E-03 0.161E-02
DAV: 4 -0.182625586986E+04 0.15469E-05 -0.16011E-05 984 0.434E-03
448 T= 976. E= -.17857674E+04 F= -.18262559E+04 E0= -.18262531E+04 EK= 0.40488E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182634812072E+04 -0.92249E-01 -0.13151E-04 1974 0.386E-02 0.277E-02
DAV: 2 -0.182634811547E+04 0.52501E-05 -0.20308E-04 1952 0.146E-02 0.418E-02
DAV: 3 -0.182634809823E+04 0.17234E-04 -0.84601E-05 1310 0.903E-03 0.209E-02
DAV: 4 -0.182634808422E+04 0.14013E-04 -0.23509E-05 1184 0.624E-03 0.135E-02
DAV: 5 -0.182634807446E+04 0.97548E-05 -0.22835E-05 1184 0.566E-03
449 T= 978. E= -.17857675E+04 F= -.18263481E+04 E0= -.18263454E+04 EK= 0.40581E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182644023195E+04 -0.92148E-01 -0.50062E-05 1598 0.364E-02 0.200E-02
DAV: 2 -0.182644024273E+04 -0.10777E-04 -0.10124E-04 1856 0.106E-02 0.317E-02
DAV: 3 -0.182644023519E+04 0.75362E-05 -0.42987E-05 1184 0.620E-03
450 T= 980. E= -.17857674E+04 F= -.18264402E+04 E0= -.18264376E+04 EK= 0.40673E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182653241271E+04 -0.92170E-01 -0.81950E-05 1742 0.378E-02 0.202E-02
DAV: 2 -0.182653240676E+04 0.59432E-05 -0.14677E-04 1864 0.116E-02 0.225E-02
DAV: 3 -0.182653240134E+04 0.54205E-05 -0.26740E-05 1152 0.578E-03
451 T= 982. E= -.17857675E+04 F= -.18265324E+04 E0= -.18265297E+04 EK= 0.40765E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182662454870E+04 -0.92142E-01 -0.10806E-04 1926 0.357E-02 0.345E-02
DAV: 2 -0.182662457127E+04 -0.22569E-04 -0.30080E-04 1984 0.163E-02 0.759E-02
DAV: 3 -0.182662452584E+04 0.45430E-04 -0.15628E-04 1456 0.111E-02 0.156E-02
DAV: 4 -0.182662451562E+04 0.10220E-04 -0.17529E-05 1192 0.572E-03 0.109E-02
DAV: 5 -0.182662450915E+04 0.64758E-05 -0.16508E-05 1112 0.474E-03
452 T= 985. E= -.17857674E+04 F= -.18266245E+04 E0= -.18266221E+04 EK= 0.40857E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182671661221E+04 -0.92097E-01 -0.54891E-05 1662 0.391E-02 0.285E-02
DAV: 2 -0.182671664147E+04 -0.29265E-04 -0.24919E-04 1896 0.151E-02 0.678E-02
DAV: 3 -0.182671660560E+04 0.35872E-04 -0.11321E-04 1384 0.974E-03 0.113E-02
DAV: 4 -0.182671660201E+04 0.35895E-05 -0.99257E-06 1096 0.454E-03
453 T= 987. E= -.17857674E+04 F= -.18267166E+04 E0= -.18267142E+04 EK= 0.40949E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182680872338E+04 -0.92118E-01 -0.16689E-04 2342 0.373E-02 0.311E-02
DAV: 2 -0.182680872448E+04 -0.11062E-05 -0.24916E-04 2024 0.164E-02 0.455E-02
DAV: 3 -0.182680869638E+04 0.28099E-04 -0.13064E-04 1470 0.105E-02 0.240E-02
DAV: 4 -0.182680868758E+04 0.88057E-05 -0.21478E-05 1216 0.576E-03
454 T= 989. E= -.17857674E+04 F= -.18268087E+04 E0= -.18268064E+04 EK= 0.41041E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182690071137E+04 -0.92015E-01 -0.12851E-04 2142 0.392E-02 0.245E-02
DAV: 2 -0.182690072629E+04 -0.14924E-04 -0.19527E-04 1888 0.163E-02 0.357E-02
DAV: 3 -0.182690070334E+04 0.22952E-04 -0.75021E-05 1384 0.930E-03 0.112E-02
DAV: 4 -0.182690070305E+04 0.28954E-06 -0.12452E-05 1008 0.388E-03
455 T= 991. E= -.17857674E+04 F= -.18269007E+04 E0= -.18268984E+04 EK= 0.41133E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182699274132E+04 -0.92038E-01 -0.16057E-04 2252 0.393E-02 0.241E-02
DAV: 2 -0.182699274236E+04 -0.10395E-05 -0.15848E-04 1888 0.148E-02 0.325E-02
DAV: 3 -0.182699272869E+04 0.13665E-04 -0.42363E-05 1352 0.817E-03 0.187E-02
DAV: 4 -0.182699272485E+04 0.38414E-05 -0.16664E-05 1056 0.438E-03
456 T= 994. E= -.17857674E+04 F= -.18269927E+04 E0= -.18269906E+04 EK= 0.41225E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182708474853E+04 -0.92020E-01 -0.12499E-04 2244 0.378E-02 0.264E-02
DAV: 2 -0.182708474997E+04 -0.14474E-05 -0.22143E-04 1872 0.143E-02 0.497E-02
DAV: 3 -0.182708472683E+04 0.23149E-04 -0.91980E-05 1360 0.872E-03 0.163E-02
DAV: 4 -0.182708471898E+04 0.78465E-05 -0.16535E-05 1144 0.534E-03
457 T= 996. E= -.17857674E+04 F= -.18270847E+04 E0= -.18270826E+04 EK= 0.41317E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182717665771E+04 -0.91931E-01 -0.19724E-04 2534 0.381E-02 0.273E-02
DAV: 2 -0.182717666821E+04 -0.10499E-04 -0.20371E-04 1952 0.144E-02 0.357E-02
DAV: 3 -0.182717665443E+04 0.13777E-04 -0.10135E-04 1456 0.884E-03 0.164E-02
DAV: 4 -0.182717665357E+04 0.85673E-06 -0.14786E-05 960 0.427E-03
458 T= 998. E= -.17857674E+04 F= -.18271767E+04 E0= -.18271746E+04 EK= 0.41409E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182726861069E+04 -0.91956E-01 -0.20606E-04 2526 0.406E-02 0.292E-02
DAV: 2 -0.182726862110E+04 -0.10419E-04 -0.19496E-04 1952 0.164E-02 0.538E-02
DAV: 3 -0.182726859506E+04 0.26045E-04 -0.90842E-05 1456 0.988E-03 0.169E-02
DAV: 4 -0.182726859008E+04 0.49811E-05 -0.27762E-05 1136 0.567E-03
459 T= 1000. E= -.17857674E+04 F= -.18272686E+04 E0= -.18272666E+04 EK= 0.41501E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182736051143E+04 -0.91916E-01 -0.18381E-04 2574 0.373E-02 0.276E-02
DAV: 2 -0.182736051613E+04 -0.46961E-05 -0.16892E-04 1928 0.155E-02 0.452E-02
DAV: 3 -0.182736049387E+04 0.22259E-04 -0.84589E-05 1462 0.991E-03 0.212E-02
DAV: 4 -0.182736048886E+04 0.50086E-05 -0.26002E-05 1080 0.522E-03
460 T= 1002. E= -.17857674E+04 F= -.18273605E+04 E0= -.18273586E+04 EK= 0.41593E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182745234606E+04 -0.91852E-01 -0.19099E-04 2198 0.397E-02 0.286E-02
DAV: 2 -0.182745237293E+04 -0.26867E-04 -0.36450E-04 1920 0.174E-02 0.574E-02
DAV: 3 -0.182745234134E+04 0.31590E-04 -0.15714E-04 1536 0.106E-02 0.149E-02
DAV: 4 -0.182745234079E+04 0.54706E-06 -0.17481E-05 1000 0.470E-03
461 T= 1005. E= -.17857674E+04 F= -.18274523E+04 E0= -.18274505E+04 EK= 0.41685E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182754421170E+04 -0.91870E-01 -0.18426E-04 2414 0.398E-02 0.304E-02
DAV: 2 -0.182754422299E+04 -0.11291E-04 -0.32044E-04 2016 0.171E-02 0.499E-02
DAV: 3 -0.182754419320E+04 0.29798E-04 -0.14940E-04 1496 0.108E-02 0.181E-02
DAV: 4 -0.182754418936E+04 0.38397E-05 -0.23515E-05 1136 0.579E-03
462 T= 1007. E= -.17857674E+04 F= -.18275442E+04 E0= -.18275423E+04 EK= 0.41777E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182763601224E+04 -0.91819E-01 -0.19651E-04 2304 0.385E-02 0.297E-02
DAV: 2 -0.182763603548E+04 -0.23240E-04 -0.30477E-04 1976 0.200E-02 0.617E-02
DAV: 3 -0.182763599552E+04 0.39961E-04 -0.14923E-04 1616 0.125E-02 0.155E-02
DAV: 4 -0.182763599208E+04 0.34376E-05 -0.22883E-05 1152 0.521E-03
463 T= 1009. E= -.17857674E+04 F= -.18276360E+04 E0= -.18276343E+04 EK= 0.41869E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182772775299E+04 -0.91757E-01 -0.18851E-04 2462 0.393E-02 0.277E-02
DAV: 2 -0.182772777339E+04 -0.20402E-04 -0.25574E-04 1968 0.178E-02 0.471E-02
DAV: 3 -0.182772774929E+04 0.24102E-04 -0.12162E-04 1504 0.113E-02 0.142E-02
DAV: 4 -0.182772774950E+04 -0.21677E-06 -0.16833E-05 1032 0.441E-03
464 T= 1011. E= -.17857674E+04 F= -.18277277E+04 E0= -.18277261E+04 EK= 0.41960E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182781951530E+04 -0.91766E-01 -0.17284E-04 2302 0.399E-02 0.286E-02
DAV: 2 -0.182781954010E+04 -0.24798E-04 -0.26811E-04 1992 0.167E-02 0.665E-02
DAV: 3 -0.182781950196E+04 0.38135E-04 -0.12060E-04 1488 0.101E-02 0.143E-02
DAV: 4 -0.182781949901E+04 0.29491E-05 -0.22445E-05 1176 0.597E-03
465 T= 1013. E= -.17857674E+04 F= -.18278195E+04 E0= -.18278180E+04 EK= 0.42052E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182791122270E+04 -0.91721E-01 -0.19135E-04 2454 0.386E-02 0.268E-02
DAV: 2 -0.182791122471E+04 -0.20113E-05 -0.19296E-04 1976 0.155E-02 0.407E-02
DAV: 3 -0.182791120772E+04 0.16984E-04 -0.84837E-05 1440 0.916E-03 0.138E-02
DAV: 4 -0.182791120498E+04 0.27465E-05 -0.23812E-05 1144 0.592E-03
466 T= 1016. E= -.17857674E+04 F= -.18279112E+04 E0= -.18279096E+04 EK= 0.42144E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182800288042E+04 -0.91673E-01 -0.19582E-04 2214 0.405E-02 0.367E-02
DAV: 2 -0.182800292592E+04 -0.45506E-04 -0.39842E-04 2080 0.229E-02 0.789E-02
DAV: 3 -0.182800286754E+04 0.58384E-04 -0.22711E-04 1782 0.151E-02 0.166E-02
DAV: 4 -0.182800286852E+04 -0.98289E-06 -0.29284E-05 1256 0.568E-03
467 T= 1018. E= -.17857674E+04 F= -.18280029E+04 E0= -.18280015E+04 EK= 0.42236E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182809454177E+04 -0.91674E-01 -0.15959E-04 2254 0.402E-02 0.306E-02
DAV: 2 -0.182809455123E+04 -0.94557E-05 -0.24313E-04 1936 0.178E-02 0.506E-02
DAV: 3 -0.182809452279E+04 0.28439E-04 -0.12806E-04 1504 0.120E-02 0.183E-02
DAV: 4 -0.182809451903E+04 0.37559E-05 -0.29059E-05 1256 0.593E-03
468 T= 1020. E= -.17857674E+04 F= -.18280945E+04 E0= -.18280931E+04 EK= 0.42327E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182818613776E+04 -0.91615E-01 -0.17466E-04 2182 0.392E-02 0.264E-02
DAV: 2 -0.182818614823E+04 -0.10468E-04 -0.21319E-04 1944 0.161E-02 0.543E-02
DAV: 3 -0.182818612386E+04 0.24367E-04 -0.86362E-05 1488 0.891E-03 0.123E-02
DAV: 4 -0.182818612105E+04 0.28079E-05 -0.22948E-05 1144 0.619E-03
469 T= 1022. E= -.17857674E+04 F= -.18281861E+04 E0= -.18281850E+04 EK= 0.42419E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182827769086E+04 -0.91567E-01 -0.18609E-04 2390 0.402E-02 0.255E-02
DAV: 2 -0.182827769455E+04 -0.36848E-05 -0.17344E-04 2024 0.157E-02 0.356E-02
DAV: 3 -0.182827768331E+04 0.11237E-04 -0.74671E-05 1496 0.894E-03 0.102E-02
DAV: 4 -0.182827768401E+04 -0.69822E-06 -0.20666E-05 984 0.530E-03
470 T= 1025. E= -.17857674E+04 F= -.18282777E+04 E0= -.18282764E+04 EK= 0.42510E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182836924852E+04 -0.91565E-01 -0.15691E-04 2144 0.398E-02 0.318E-02
DAV: 2 -0.182836926956E+04 -0.21035E-04 -0.29041E-04 1984 0.198E-02 0.625E-02
DAV: 3 -0.182836923077E+04 0.38784E-04 -0.15265E-04 1592 0.128E-02 0.155E-02
DAV: 4 -0.182836922902E+04 0.17519E-05 -0.31531E-05 1288 0.611E-03
471 T= 1027. E= -.17857674E+04 F= -.18283692E+04 E0= -.18283681E+04 EK= 0.42602E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182846074709E+04 -0.91516E-01 -0.15487E-04 2302 0.385E-02 0.284E-02
DAV: 2 -0.182846075147E+04 -0.43737E-05 -0.21430E-04 1976 0.170E-02 0.428E-02
DAV: 3 -0.182846072974E+04 0.21729E-04 -0.10749E-04 1424 0.112E-02 0.143E-02
DAV: 4 -0.182846072813E+04 0.16020E-05 -0.28703E-05 1264 0.591E-03
472 T= 1029. E= -.17857674E+04 F= -.18284607E+04 E0= -.18284597E+04 EK= 0.42693E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182855219369E+04 -0.91464E-01 -0.15132E-04 2134 0.406E-02 0.255E-02
DAV: 2 -0.182855220456E+04 -0.10868E-04 -0.17776E-04 1944 0.156E-02 0.490E-02
DAV: 3 -0.182855218611E+04 0.18453E-04 -0.79432E-05 1488 0.863E-03 0.111E-02
DAV: 4 -0.182855218650E+04 -0.39721E-06 -0.20420E-05 1016 0.568E-03
473 T= 1031. E= -.17857673E+04 F= -.18285522E+04 E0= -.18285513E+04 EK= 0.42785E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182864364863E+04 -0.91463E-01 -0.15707E-04 2390 0.398E-02 0.303E-02
DAV: 2 -0.182864364950E+04 -0.86559E-06 -0.20269E-04 2040 0.158E-02 0.471E-02
DAV: 3 -0.182864362860E+04 0.20901E-04 -0.10710E-04 1536 0.980E-03 0.163E-02
DAV: 4 -0.182864362520E+04 0.34012E-05 -0.27498E-05 1144 0.639E-03
474 T= 1033. E= -.17857673E+04 F= -.18286436E+04 E0= -.18286426E+04 EK= 0.42876E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182873503257E+04 -0.91404E-01 -0.17490E-04 2110 0.393E-02 0.310E-02
DAV: 2 -0.182873504296E+04 -0.10383E-04 -0.26105E-04 1960 0.182E-02 0.455E-02
DAV: 3 -0.182873501598E+04 0.26981E-04 -0.12547E-04 1528 0.118E-02 0.115E-02
DAV: 4 -0.182873501343E+04 0.25436E-05 -0.29515E-05 1424 0.630E-03
475 T= 1036. E= -.17857673E+04 F= -.18287350E+04 E0= -.18287341E+04 EK= 0.42968E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182882637222E+04 -0.91356E-01 -0.84414E-05 1904 0.384E-02 0.248E-02
DAV: 2 -0.182882637775E+04 -0.55303E-05 -0.16082E-04 1936 0.142E-02 0.393E-02
DAV: 3 -0.182882636305E+04 0.14695E-04 -0.76307E-05 1422 0.845E-03 0.122E-02
DAV: 4 -0.182882636360E+04 -0.54479E-06 -0.20152E-05 1016 0.553E-03
476 T= 1038. E= -.17857673E+04 F= -.18288264E+04 E0= -.18288255E+04 EK= 0.43059E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182891770581E+04 -0.91343E-01 -0.63311E-05 1896 0.387E-02 0.221E-02
DAV: 2 -0.182891769710E+04 0.87150E-05 -0.89988E-05 1888 0.124E-02
477 T= 1040. E= -.17857673E+04 F= -.18289177E+04 E0= -.18289170E+04 EK= 0.43150E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182900900883E+04 -0.91303E-01 -0.28500E-04 1982 0.421E-02 0.396E-02
DAV: 2 -0.182900909874E+04 -0.89905E-04 -0.64558E-04 2088 0.251E-02 0.114E-01
DAV: 3 -0.182900898696E+04 0.11178E-03 -0.28961E-04 1912 0.153E-02 0.166E-02
DAV: 4 -0.182900898334E+04 0.36240E-05 -0.25394E-05 1344 0.612E-03
478 T= 1042. E= -.17857673E+04 F= -.18290090E+04 E0= -.18290084E+04 EK= 0.43242E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182910021263E+04 -0.91226E-01 -0.43783E-04 1992 0.448E-02 0.394E-02
DAV: 2 -0.182910029812E+04 -0.85489E-04 -0.76285E-04 2144 0.275E-02 0.957E-02
DAV: 3 -0.182910020841E+04 0.89709E-04 -0.29945E-04 2048 0.153E-02 0.187E-02
DAV: 4 -0.182910020975E+04 -0.13338E-05 -0.23270E-05 1248 0.538E-03
479 T= 1044. E= -.17857673E+04 F= -.18291002E+04 E0= -.18290996E+04 EK= 0.43333E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182919144945E+04 -0.91241E-01 -0.29196E-04 1912 0.431E-02 0.414E-02
DAV: 2 -0.182919150364E+04 -0.54192E-04 -0.69021E-04 2168 0.275E-02 0.751E-02
DAV: 3 -0.182919143361E+04 0.70030E-04 -0.28577E-04 1992 0.168E-02 0.181E-02
DAV: 4 -0.182919143048E+04 0.31244E-05 -0.19771E-05 1264 0.517E-03
480 T= 1047. E= -.17857673E+04 F= -.18291914E+04 E0= -.18291909E+04 EK= 0.43424E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182928264402E+04 -0.91210E-01 -0.18677E-04 2104 0.398E-02 0.362E-02
DAV: 2 -0.182928268451E+04 -0.40487E-04 -0.57046E-04 2088 0.228E-02 0.839E-02
DAV: 3 -0.182928261847E+04 0.66035E-04 -0.21510E-04 1912 0.130E-02 0.194E-02
DAV: 4 -0.182928261137E+04 0.71032E-05 -0.22799E-05 1184 0.627E-03
481 T= 1049. E= -.17857673E+04 F= -.18292826E+04 E0= -.18292821E+04 EK= 0.43515E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182937371790E+04 -0.91099E-01 -0.25564E-04 2064 0.406E-02 0.366E-02
DAV: 2 -0.182937378413E+04 -0.66233E-04 -0.59471E-04 2088 0.229E-02 0.829E-02
DAV: 3 -0.182937371683E+04 0.67301E-04 -0.23219E-04 1928 0.134E-02 0.179E-02
DAV: 4 -0.182937371637E+04 0.45673E-06 -0.16488E-05 1152 0.461E-03
482 T= 1051. E= -.17857673E+04 F= -.18293737E+04 E0= -.18293734E+04 EK= 0.43606E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182946481458E+04 -0.91098E-01 -0.29459E-04 1992 0.432E-02 0.343E-02
DAV: 2 -0.182946486235E+04 -0.47767E-04 -0.53945E-04 2080 0.247E-02 0.606E-02
DAV: 3 -0.182946481446E+04 0.47887E-04 -0.19689E-04 1912 0.145E-02 0.170E-02
DAV: 4 -0.182946481207E+04 0.23968E-05 -0.15332E-05 1160 0.461E-03
483 T= 1053. E= -.17857673E+04 F= -.18294648E+04 E0= -.18294646E+04 EK= 0.43697E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182955590297E+04 -0.91089E-01 -0.21850E-04 2088 0.404E-02 0.315E-02
DAV: 2 -0.182955592163E+04 -0.18664E-04 -0.42605E-04 2016 0.209E-02 0.528E-02
DAV: 3 -0.182955588803E+04 0.33603E-04 -0.13261E-04 1712 0.112E-02 0.194E-02
DAV: 4 -0.182955588000E+04 0.80322E-05 -0.18492E-05 1144 0.621E-03
484 T= 1055. E= -.17857673E+04 F= -.18295559E+04 E0= -.18295558E+04 EK= 0.43789E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182964687378E+04 -0.90986E-01 -0.31991E-04 2070 0.438E-02 0.354E-02
DAV: 2 -0.182964694571E+04 -0.71929E-04 -0.56774E-04 2120 0.263E-02 0.818E-02
DAV: 3 -0.182964687105E+04 0.74657E-04 -0.23800E-04 1878 0.161E-02 0.189E-02
DAV: 4 -0.182964687021E+04 0.84343E-06 -0.16915E-05 1200 0.422E-03
485 T= 1058. E= -.17857673E+04 F= -.18296469E+04 E0= -.18296468E+04 EK= 0.43880E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182973786431E+04 -0.90993E-01 -0.29250E-04 1884 0.439E-02 0.355E-02
DAV: 2 -0.182973792748E+04 -0.63166E-04 -0.60402E-04 2192 0.269E-02 0.830E-02
DAV: 3 -0.182973785277E+04 0.74707E-04 -0.25018E-04 1896 0.161E-02 0.217E-02
DAV: 4 -0.182973785013E+04 0.26487E-05 -0.19875E-05 1216 0.473E-03
486 T= 1060. E= -.17857673E+04 F= -.18297379E+04 E0= -.18297378E+04 EK= 0.43971E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182982885145E+04 -0.90999E-01 -0.26088E-04 2198 0.425E-02 0.368E-02
DAV: 2 -0.182982886888E+04 -0.17428E-04 -0.55275E-04 2096 0.239E-02 0.658E-02
DAV: 3 -0.182982881387E+04 0.55006E-04 -0.20525E-04 1928 0.136E-02 0.206E-02
DAV: 4 -0.182982880335E+04 0.10521E-04 -0.23250E-05 1248 0.656E-03 0.173E-02
DAV: 5 -0.182982878983E+04 0.13524E-04 -0.23858E-05 1208 0.687E-03 0.137E-02
DAV: 6 -0.182982876821E+04 0.21613E-04 -0.39713E-05 1640 0.996E-03 0.951E-03
DAV: 7 -0.182982876553E+04 0.26833E-05 -0.14259E-05 1112 0.514E-03
487 T= 1062. E= -.17857673E+04 F= -.18298288E+04 E0= -.18298288E+04 EK= 0.44061E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182991968332E+04 -0.90915E-01 -0.48828E-05 1374 0.448E-02 0.362E-02
DAV: 2 -0.182991970594E+04 -0.22618E-04 -0.21126E-04 2056 0.157E-02 0.509E-02
DAV: 3 -0.182991968528E+04 0.20665E-04 -0.10205E-04 1470 0.993E-03 0.249E-02
DAV: 4 -0.182991968092E+04 0.43598E-05 -0.63378E-05 1512 0.116E-02
488 T= 1064. E= -.17857673E+04 F= -.18299197E+04 E0= -.18299201E+04 EK= 0.44152E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183001056046E+04 -0.90875E-01 -0.42359E-04 1998 0.445E-02 0.503E-02
DAV: 2 -0.183001056079E+04 -0.32270E-06 -0.40701E-04 2008 0.262E-02 0.685E-02
DAV: 3 -0.183001052486E+04 0.35924E-04 -0.25308E-04 1936 0.165E-02 0.315E-02
DAV: 4 -0.183001051793E+04 0.69311E-05 -0.57091E-05 1528 0.729E-03
489 T= 1066. E= -.17857673E+04 F= -.18300105E+04 E0= -.18300107E+04 EK= 0.44243E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183010135329E+04 -0.90828E-01 -0.35399E-04 1966 0.432E-02 0.484E-02
DAV: 2 -0.183010136350E+04 -0.10208E-04 -0.53811E-04 2080 0.280E-02 0.658E-02
DAV: 3 -0.183010131715E+04 0.46354E-04 -0.31000E-04 2016 0.178E-02 0.191E-02
DAV: 4 -0.183010131917E+04 -0.20268E-05 -0.44356E-05 1408 0.690E-03
490 T= 1068. E= -.17857673E+04 F= -.18301013E+04 E0= -.18301015E+04 EK= 0.44334E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183019212942E+04 -0.90812E-01 -0.15342E-04 1926 0.424E-02 0.456E-02
DAV: 2 -0.183019216564E+04 -0.36219E-04 -0.50084E-04 2008 0.240E-02 0.846E-02
DAV: 3 -0.183019209889E+04 0.66752E-04 -0.27830E-04 1966 0.148E-02 0.194E-02
DAV: 4 -0.183019209949E+04 -0.60405E-06 -0.44470E-05 1368 0.744E-03
491 T= 1071. E= -.17857673E+04 F= -.18301921E+04 E0= -.18301922E+04 EK= 0.44425E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183028285122E+04 -0.90752E-01 -0.98225E-05 1894 0.381E-02 0.389E-02
DAV: 2 -0.183028286831E+04 -0.17094E-04 -0.32418E-04 2024 0.180E-02 0.651E-02
DAV: 3 -0.183028282974E+04 0.38577E-04 -0.17148E-04 1760 0.119E-02 0.178E-02
DAV: 4 -0.183028282588E+04 0.38545E-05 -0.33149E-05 1216 0.687E-03
492 T= 1073. E= -.17857673E+04 F= -.18302828E+04 E0= -.18302834E+04 EK= 0.44516E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183037349616E+04 -0.90666E-01 -0.14694E-04 1920 0.403E-02 0.254E-02
DAV: 2 -0.183037351127E+04 -0.15113E-04 -0.19219E-04 1952 0.158E-02 0.340E-02
DAV: 3 -0.183037349760E+04 0.13677E-04 -0.74699E-05 1376 0.930E-03 0.873E-03
DAV: 4 -0.183037349727E+04 0.33161E-06 -0.12911E-05 976 0.472E-03
493 T= 1075. E= -.17857673E+04 F= -.18303735E+04 E0= -.18303740E+04 EK= 0.44606E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183046416054E+04 -0.90663E-01 -0.71389E-05 1856 0.394E-02 0.270E-02
DAV: 2 -0.183046417696E+04 -0.16423E-04 -0.21702E-04 1984 0.146E-02 0.490E-02
DAV: 3 -0.183046415423E+04 0.22733E-04 -0.89268E-05 1376 0.863E-03 0.160E-02
DAV: 4 -0.183046415071E+04 0.35171E-05 -0.19001E-05 1128 0.593E-03
494 T= 1077. E= -.17857673E+04 F= -.18304642E+04 E0= -.18304648E+04 EK= 0.44697E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183055476156E+04 -0.90607E-01 -0.10532E-04 1870 0.392E-02 0.232E-02
DAV: 2 -0.183055476717E+04 -0.56158E-05 -0.18184E-04 1952 0.160E-02 0.345E-02
DAV: 3 -0.183055475115E+04 0.16020E-04 -0.67220E-05 1254 0.864E-03 0.107E-02
DAV: 4 -0.183055474751E+04 0.36409E-05 -0.23338E-05 1328 0.656E-03
495 T= 1079. E= -.17857672E+04 F= -.18305547E+04 E0= -.18305554E+04 EK= 0.44787E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183064531998E+04 -0.90569E-01 -0.10903E-04 1820 0.411E-02 0.407E-02
DAV: 2 -0.183064539254E+04 -0.72562E-04 -0.48415E-04 2048 0.252E-02 0.983E-02
DAV: 3 -0.183064530126E+04 0.91279E-04 -0.29306E-04 1872 0.167E-02 0.136E-02
DAV: 4 -0.183064530372E+04 -0.24540E-05 -0.28404E-05 1288 0.570E-03
496 T= 1082. E= -.17857672E+04 F= -.18306453E+04 E0= -.18306461E+04 EK= 0.44878E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183073585962E+04 -0.90558E-01 -0.97962E-05 1894 0.405E-02 0.325E-02
DAV: 2 -0.183073589005E+04 -0.30429E-04 -0.30647E-04 2000 0.206E-02 0.730E-02
DAV: 3 -0.183073583653E+04 0.53516E-04 -0.15888E-04 1568 0.133E-02 0.154E-02
DAV: 4 -0.183073583315E+04 0.33836E-05 -0.32809E-05 1336 0.630E-03
497 T= 1084. E= -.17857673E+04 F= -.18307358E+04 E0= -.18307365E+04 EK= 0.44969E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183082630896E+04 -0.90472E-01 -0.13265E-04 1950 0.401E-02 0.252E-02
DAV: 2 -0.183082631678E+04 -0.78153E-05 -0.19789E-04 1968 0.168E-02 0.397E-02
DAV: 3 -0.183082630027E+04 0.16514E-04 -0.80480E-05 1488 0.908E-03 0.120E-02
DAV: 4 -0.183082629908E+04 0.11853E-05 -0.19638E-05 1064 0.545E-03
498 T= 1086. E= -.17857672E+04 F= -.18308263E+04 E0= -.18308273E+04 EK= 0.45059E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183091673362E+04 -0.90433E-01 -0.14146E-04 2288 0.411E-02 0.230E-02
DAV: 2 -0.183091673787E+04 -0.42545E-05 -0.15719E-04 1936 0.160E-02 0.306E-02
DAV: 3 -0.183091672752E+04 0.10349E-04 -0.65128E-05 1496 0.899E-03 0.951E-03
DAV: 4 -0.183091672697E+04 0.55466E-06 -0.16405E-05 1040 0.522E-03
499 T= 1088. E= -.17857672E+04 F= -.18309167E+04 E0= -.18309177E+04 EK= 0.45149E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183100713446E+04 -0.90407E-01 -0.82184E-05 1912 0.392E-02 0.260E-02
DAV: 2 -0.183100714545E+04 -0.10986E-04 -0.18349E-04 1960 0.147E-02 0.469E-02
DAV: 3 -0.183100712557E+04 0.19880E-04 -0.77792E-05 1336 0.828E-03 0.138E-02
DAV: 4 -0.183100712287E+04 0.26962E-05 -0.22284E-05 1120 0.633E-03
500 T= 1090. E= -.17857672E+04 F= -.18310071E+04 E0= -.18310083E+04 EK= 0.45240E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183109747620E+04 -0.90351E-01 -0.12852E-04 2142 0.402E-02 0.269E-02
DAV: 2 -0.183109748653E+04 -0.10334E-04 -0.20622E-04 1984 0.165E-02 0.452E-02
DAV: 3 -0.183109746537E+04 0.21163E-04 -0.94924E-05 1446 0.923E-03 0.122E-02
DAV: 4 -0.183109746559E+04 -0.21624E-06 -0.23089E-05 1144 0.573E-03
501 T= 1092. E= -.17857672E+04 F= -.18310975E+04 E0= -.18310984E+04 EK= 0.45330E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183118777602E+04 -0.90311E-01 -0.16728E-04 2000 0.425E-02 0.271E-02
DAV: 2 -0.183118778367E+04 -0.76500E-05 -0.19802E-04 1936 0.180E-02 0.383E-02
DAV: 3 -0.183118776688E+04 0.16784E-04 -0.91295E-05 1656 0.106E-02 0.129E-02
DAV: 4 -0.183118776631E+04 0.57044E-06 -0.23831E-05 1096 0.571E-03
502 T= 1095. E= -.17857672E+04 F= -.18311878E+04 E0= -.18311889E+04 EK= 0.45421E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183127805124E+04 -0.90284E-01 -0.15620E-04 2248 0.413E-02 0.254E-02
DAV: 2 -0.183127804790E+04 0.33403E-05 -0.15978E-04 1928 0.156E-02 0.336E-02
DAV: 3 -0.183127803423E+04 0.13667E-04 -0.70838E-05 1504 0.877E-03 0.118E-02
DAV: 4 -0.183127802937E+04 0.48660E-05 -0.23476E-05 1272 0.663E-03
503 T= 1097. E= -.17857672E+04 F= -.18312780E+04 E0= -.18312792E+04 EK= 0.45511E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183136825114E+04 -0.90217E-01 -0.10670E-04 1992 0.397E-02 0.272E-02
DAV: 2 -0.183136826757E+04 -0.16438E-04 -0.21363E-04 1944 0.178E-02 0.500E-02
DAV: 3 -0.183136824065E+04 0.26922E-04 -0.10402E-04 1472 0.110E-02 0.132E-02
DAV: 4 -0.183136824064E+04 0.92696E-08 -0.22923E-05 1136 0.521E-03
504 T= 1099. E= -.17857672E+04 F= -.18313682E+04 E0= -.18313696E+04 EK= 0.45601E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183145842142E+04 -0.90181E-01 -0.10884E-04 1934 0.411E-02 0.241E-02
DAV: 2 -0.183145843458E+04 -0.13162E-04 -0.18858E-04 1936 0.165E-02 0.428E-02
DAV: 3 -0.183145841301E+04 0.21573E-04 -0.76001E-05 1272 0.982E-03 0.126E-02
DAV: 4 -0.183145841281E+04 0.19743E-06 -0.24115E-05 1224 0.553E-03
505 T= 1101. E= -.17857672E+04 F= -.18314584E+04 E0= -.18314598E+04 EK= 0.45691E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183154855560E+04 -0.90143E-01 -0.16165E-04 2006 0.411E-02 0.275E-02
DAV: 2 -0.183154856259E+04 -0.69915E-05 -0.19256E-04 1928 0.166E-02 0.428E-02
DAV: 3 -0.183154854563E+04 0.16953E-04 -0.89531E-05 1680 0.909E-03 0.144E-02
DAV: 4 -0.183154854403E+04 0.15996E-05 -0.22665E-05 1128 0.604E-03
506 T= 1103. E= -.17857672E+04 F= -.18315485E+04 E0= -.18315501E+04 EK= 0.45781E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183163863612E+04 -0.90090E-01 -0.17975E-04 2406 0.421E-02 0.253E-02
DAV: 2 -0.183163863836E+04 -0.22383E-05 -0.16449E-04 2024 0.165E-02 0.339E-02
DAV: 3 -0.183163862563E+04 0.12732E-04 -0.76205E-05 1628 0.904E-03 0.861E-03
DAV: 4 -0.183163862505E+04 0.57262E-06 -0.17033E-05 992 0.503E-03
507 T= 1106. E= -.17857672E+04 F= -.18316386E+04 E0= -.18316401E+04 EK= 0.45871E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183172868318E+04 -0.90058E-01 -0.13804E-04 2030 0.409E-02 0.321E-02
DAV: 2 -0.183172872315E+04 -0.39968E-04 -0.32472E-04 2008 0.219E-02 0.735E-02
DAV: 3 -0.183172866869E+04 0.54456E-04 -0.17375E-04 1712 0.136E-02 0.131E-02
DAV: 4 -0.183172866902E+04 -0.32966E-06 -0.26333E-05 1280 0.556E-03
508 T= 1108. E= -.17857672E+04 F= -.18317287E+04 E0= -.18317303E+04 EK= 0.45961E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183181868333E+04 -0.90015E-01 -0.10828E-04 2024 0.406E-02 0.254E-02
DAV: 2 -0.183181870250E+04 -0.19165E-04 -0.22174E-04 1952 0.176E-02 0.526E-02
DAV: 3 -0.183181867124E+04 0.31253E-04 -0.95474E-05 1392 0.108E-02 0.135E-02
DAV: 4 -0.183181866927E+04 0.19781E-05 -0.21832E-05 1184 0.533E-03
509 T= 1110. E= -.17857672E+04 F= -.18318187E+04 E0= -.18318203E+04 EK= 0.46051E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183190862474E+04 -0.89953E-01 -0.21553E-04 2374 0.423E-02 0.254E-02
DAV: 2 -0.183190862824E+04 -0.34988E-05 -0.17752E-04 2048 0.168E-02 0.354E-02
DAV: 3 -0.183190861677E+04 0.11471E-04 -0.73990E-05 1656 0.884E-03 0.943E-03
DAV: 4 -0.183190861697E+04 -0.20163E-06 -0.17645E-05 1008 0.489E-03
510 T= 1112. E= -.17857672E+04 F= -.18319086E+04 E0= -.18319105E+04 EK= 0.46141E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183199854141E+04 -0.89925E-01 -0.18449E-04 2526 0.420E-02 0.249E-02
DAV: 2 -0.183199854025E+04 0.11615E-05 -0.15603E-04 1984 0.161E-02 0.313E-02
DAV: 3 -0.183199852912E+04 0.11132E-04 -0.70349E-05 1608 0.932E-03 0.108E-02
DAV: 4 -0.183199852793E+04 0.11872E-05 -0.18050E-05 1088 0.548E-03
511 T= 1114. E= -.17857672E+04 F= -.18319985E+04 E0= -.18320004E+04 EK= 0.46231E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183208840656E+04 -0.89877E-01 -0.11195E-04 2096 0.394E-02 0.290E-02
DAV: 2 -0.183208842195E+04 -0.15393E-04 -0.22327E-04 1968 0.159E-02 0.524E-02
DAV: 3 -0.183208839544E+04 0.26509E-04 -0.10847E-04 1472 0.965E-03 0.146E-02
DAV: 4 -0.183208839486E+04 0.58417E-06 -0.20436E-05 1104 0.553E-03
512 T= 1116. E= -.17857672E+04 F= -.18320884E+04 E0= -.18320904E+04 EK= 0.46321E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183217822029E+04 -0.89825E-01 -0.13614E-04 2350 0.411E-02 0.243E-02
DAV: 2 -0.183217822664E+04 -0.63476E-05 -0.15668E-04 1920 0.144E-02 0.365E-02
DAV: 3 -0.183217821201E+04 0.14624E-04 -0.71658E-05 1406 0.824E-03 0.110E-02
DAV: 4 -0.183217821253E+04 -0.52102E-06 -0.19675E-05 1040 0.538E-03
513 T= 1119. E= -.17857672E+04 F= -.18321782E+04 E0= -.18321801E+04 EK= 0.46411E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183226800270E+04 -0.89791E-01 -0.16679E-04 2062 0.417E-02 0.279E-02
DAV: 2 -0.183226801071E+04 -0.80097E-05 -0.17772E-04 1952 0.174E-02 0.422E-02
DAV: 3 -0.183226799300E+04 0.17716E-04 -0.93574E-05 1608 0.105E-02 0.155E-02
DAV: 4 -0.183226799107E+04 0.19257E-05 -0.23977E-05 1136 0.568E-03
514 T= 1121. E= -.17857672E+04 F= -.18322680E+04 E0= -.18322701E+04 EK= 0.46501E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183235773685E+04 -0.89744E-01 -0.14753E-04 2286 0.410E-02 0.243E-02
DAV: 2 -0.183235773794E+04 -0.10932E-05 -0.14582E-04 1952 0.158E-02 0.322E-02
DAV: 3 -0.183235772396E+04 0.13986E-04 -0.68582E-05 1456 0.915E-03 0.939E-03
DAV: 4 -0.183235772144E+04 0.25215E-05 -0.21411E-05 1248 0.608E-03
515 T= 1123. E= -.17857672E+04 F= -.18323577E+04 E0= -.18323599E+04 EK= 0.46591E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183244741816E+04 -0.89694E-01 -0.10315E-04 1902 0.400E-02 0.356E-02
DAV: 2 -0.183244746389E+04 -0.45729E-04 -0.35884E-04 1952 0.200E-02 0.811E-02
DAV: 3 -0.183244740438E+04 0.59510E-04 -0.19460E-04 1728 0.125E-02 0.113E-02
DAV: 4 -0.183244740635E+04 -0.19701E-05 -0.19715E-05 1152 0.522E-03
516 T= 1125. E= -.17857672E+04 F= -.18324474E+04 E0= -.18324497E+04 EK= 0.46680E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183253705739E+04 -0.89653E-01 -0.75479E-05 1816 0.399E-02 0.227E-02
DAV: 2 -0.183253706952E+04 -0.12129E-04 -0.15669E-04 1912 0.134E-02 0.448E-02
DAV: 3 -0.183253705151E+04 0.18013E-04 -0.65209E-05 1312 0.753E-03 0.109E-02
DAV: 4 -0.183253705039E+04 0.11182E-05 -0.20116E-05 1184 0.583E-03
517 T= 1127. E= -.17857671E+04 F= -.18325371E+04 E0= -.18325393E+04 EK= 0.46770E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183262665522E+04 -0.89604E-01 -0.13512E-04 2056 0.408E-02 0.255E-02
DAV: 2 -0.183262665945E+04 -0.42267E-05 -0.14689E-04 1912 0.166E-02 0.329E-02
DAV: 3 -0.183262664762E+04 0.11832E-04 -0.71634E-05 1560 0.958E-03 0.128E-02
DAV: 4 -0.183262664711E+04 0.50731E-06 -0.23134E-05 1088 0.558E-03
518 T= 1129. E= -.17857671E+04 F= -.18326266E+04 E0= -.18326290E+04 EK= 0.46860E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183271621244E+04 -0.89565E-01 -0.15173E-04 2374 0.424E-02 0.274E-02
DAV: 2 -0.183271621450E+04 -0.20684E-05 -0.17023E-04 2032 0.174E-02 0.357E-02
DAV: 3 -0.183271619910E+04 0.15409E-04 -0.87806E-05 1736 0.980E-03 0.870E-03
DAV: 4 -0.183271619869E+04 0.40067E-06 -0.17523E-05 1040 0.521E-03
519 T= 1132. E= -.17857671E+04 F= -.18327162E+04 E0= -.18327186E+04 EK= 0.46949E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183280572168E+04 -0.89523E-01 -0.88038E-05 1918 0.402E-02 0.234E-02
DAV: 2 -0.183280573003E+04 -0.83436E-05 -0.15841E-04 1936 0.158E-02 0.387E-02
DAV: 3 -0.183280571189E+04 0.18135E-04 -0.67331E-05 1288 0.931E-03 0.119E-02
DAV: 4 -0.183280571094E+04 0.95024E-06 -0.20774E-05 1128 0.527E-03
520 T= 1134. E= -.17857671E+04 F= -.18328057E+04 E0= -.18328083E+04 EK= 0.47039E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183289518087E+04 -0.89469E-01 -0.95393E-05 1942 0.405E-02 0.202E-02
DAV: 2 -0.183289518725E+04 -0.63810E-05 -0.13551E-04 1880 0.144E-02 0.309E-02
DAV: 3 -0.183289517513E+04 0.12119E-04 -0.44767E-05 1176 0.784E-03 0.105E-02
DAV: 4 -0.183289517430E+04 0.83486E-06 -0.19314E-05 1064 0.534E-03
521 T= 1136. E= -.17857671E+04 F= -.18328952E+04 E0= -.18328978E+04 EK= 0.47128E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183298459977E+04 -0.89425E-01 -0.14862E-04 1982 0.418E-02 0.265E-02
DAV: 2 -0.183298460903E+04 -0.92634E-05 -0.18321E-04 1912 0.163E-02 0.406E-02
DAV: 3 -0.183298459304E+04 0.15991E-04 -0.81695E-05 1576 0.882E-03 0.117E-02
DAV: 4 -0.183298459321E+04 -0.17387E-06 -0.20073E-05 1048 0.550E-03
522 T= 1138. E= -.17857671E+04 F= -.18329846E+04 E0= -.18329874E+04 EK= 0.47217E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183307398082E+04 -0.89388E-01 -0.15526E-04 2254 0.419E-02 0.257E-02
DAV: 2 -0.183307398488E+04 -0.40586E-05 -0.17117E-04 1944 0.164E-02 0.356E-02
DAV: 3 -0.183307396989E+04 0.14983E-04 -0.75973E-05 1544 0.914E-03 0.977E-03
DAV: 4 -0.183307396953E+04 0.36435E-06 -0.23666E-05 1224 0.590E-03
523 T= 1140. E= -.17857671E+04 F= -.18330740E+04 E0= -.18330767E+04 EK= 0.47307E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183316331167E+04 -0.89342E-01 -0.12144E-04 1968 0.406E-02 0.284E-02
DAV: 2 -0.183316333342E+04 -0.21755E-04 -0.22048E-04 1912 0.196E-02 0.548E-02
DAV: 3 -0.183316330110E+04 0.32320E-04 -0.11838E-04 1616 0.118E-02 0.120E-02
DAV: 4 -0.183316330152E+04 -0.42062E-06 -0.24702E-05 1200 0.543E-03
524 T= 1142. E= -.17857671E+04 F= -.18331633E+04 E0= -.18331662E+04 EK= 0.47396E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183325259535E+04 -0.89294E-01 -0.98126E-05 1974 0.413E-02 0.233E-02
DAV: 2 -0.183325260811E+04 -0.12755E-04 -0.16009E-04 1904 0.163E-02 0.413E-02
DAV: 3 -0.183325258770E+04 0.20405E-04 -0.71972E-05 1350 0.972E-03 0.115E-02
DAV: 4 -0.183325258752E+04 0.18504E-06 -0.21851E-05 1136 0.529E-03
525 T= 1144. E= -.17857671E+04 F= -.18332526E+04 E0= -.18332555E+04 EK= 0.47485E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183334183773E+04 -0.89250E-01 -0.13824E-04 2014 0.413E-02 0.223E-02
DAV: 2 -0.183334183955E+04 -0.18189E-05 -0.13692E-04 1896 0.148E-02 0.298E-02
DAV: 3 -0.183334183096E+04 0.85851E-05 -0.52078E-05 1454 0.764E-03
526 T= 1147. E= -.17857671E+04 F= -.18333418E+04 E0= -.18333448E+04 EK= 0.47575E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183343104503E+04 -0.89205E-01 -0.30956E-04 2510 0.438E-02 0.456E-02
DAV: 2 -0.183343113712E+04 -0.92096E-04 -0.61767E-04 2216 0.257E-02 0.110E-01
DAV: 3 -0.183343102535E+04 0.11177E-03 -0.35277E-04 1936 0.169E-02 0.111E-02
DAV: 4 -0.183343102732E+04 -0.19712E-05 -0.28365E-05 1432 0.603E-03
527 T= 1149. E= -.17857671E+04 F= -.18334310E+04 E0= -.18334341E+04 EK= 0.47664E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183352018630E+04 -0.89161E-01 -0.16711E-04 2150 0.411E-02 0.379E-02
DAV: 2 -0.183352025506E+04 -0.68752E-04 -0.47454E-04 2120 0.208E-02 0.901E-02
DAV: 3 -0.183352017848E+04 0.76579E-04 -0.23442E-04 1704 0.137E-02 0.121E-02
DAV: 4 -0.183352017974E+04 -0.12645E-05 -0.16090E-05 1160 0.470E-03
528 T= 1151. E= -.17857671E+04 F= -.18335202E+04 E0= -.18335234E+04 EK= 0.47753E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183360929208E+04 -0.89114E-01 -0.11360E-04 1950 0.401E-02 0.238E-02
DAV: 2 -0.183360931312E+04 -0.21044E-04 -0.23330E-04 1960 0.172E-02 0.366E-02
DAV: 3 -0.183360929259E+04 0.20528E-04 -0.79685E-05 1416 0.991E-03 0.110E-02
DAV: 4 -0.183360929137E+04 0.12230E-05 -0.10259E-05 1008 0.400E-03
529 T= 1153. E= -.17857671E+04 F= -.18336093E+04 E0= -.18336126E+04 EK= 0.47842E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183369835673E+04 -0.89064E-01 -0.12520E-04 2272 0.393E-02 0.248E-02
DAV: 2 -0.183369838520E+04 -0.28475E-04 -0.27212E-04 2016 0.165E-02 0.554E-02
DAV: 3 -0.183369835505E+04 0.30149E-04 -0.10040E-04 1454 0.916E-03 0.116E-02
DAV: 4 -0.183369835484E+04 0.21080E-06 -0.12265E-05 1016 0.437E-03
530 T= 1155. E= -.17857671E+04 F= -.18336984E+04 E0= -.18337018E+04 EK= 0.47931E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183378737664E+04 -0.89022E-01 -0.17288E-04 2596 0.416E-02 0.261E-02
DAV: 2 -0.183378740841E+04 -0.31770E-04 -0.27788E-04 1976 0.166E-02 0.585E-02
DAV: 3 -0.183378737505E+04 0.33359E-04 -0.11327E-04 1448 0.957E-03 0.115E-02
DAV: 4 -0.183378737495E+04 0.10744E-06 -0.11336E-05 984 0.401E-03
531 T= 1157. E= -.17857671E+04 F= -.18337874E+04 E0= -.18337908E+04 EK= 0.48020E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183387635815E+04 -0.88983E-01 -0.20833E-04 2398 0.410E-02 0.225E-02
DAV: 2 -0.183387637631E+04 -0.18164E-04 -0.21360E-04 1944 0.171E-02 0.388E-02
DAV: 3 -0.183387635559E+04 0.20721E-04 -0.71293E-05 1432 0.987E-03 0.116E-02
DAV: 4 -0.183387635427E+04 0.13186E-05 -0.12531E-05 1000 0.412E-03
532 T= 1159. E= -.17857671E+04 F= -.18338764E+04 E0= -.18338798E+04 EK= 0.48109E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183396529017E+04 -0.88935E-01 -0.18291E-04 2606 0.406E-02 0.216E-02
DAV: 2 -0.183396530534E+04 -0.15174E-04 -0.19023E-04 1976 0.156E-02 0.373E-02
DAV: 3 -0.183396528620E+04 0.19139E-04 -0.65504E-05 1376 0.893E-03 0.986E-03
DAV: 4 -0.183396528493E+04 0.12739E-05 -0.14628E-05 1088 0.481E-03
533 T= 1162. E= -.17857671E+04 F= -.18339653E+04 E0= -.18339688E+04 EK= 0.48198E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183405417185E+04 -0.88886E-01 -0.94634E-05 2016 0.398E-02 0.201E-02
DAV: 2 -0.183405419090E+04 -0.19050E-04 -0.17363E-04 1968 0.151E-02 0.355E-02
DAV: 3 -0.183405417371E+04 0.17189E-04 -0.56224E-05 1232 0.876E-03 0.115E-02
DAV: 4 -0.183405417295E+04 0.75673E-06 -0.89372E-06 968 0.347E-03
534 T= 1164. E= -.17857671E+04 F= -.18340542E+04 E0= -.18340578E+04 EK= 0.48287E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183414302280E+04 -0.88849E-01 -0.11246E-04 2094 0.407E-02 0.181E-02
DAV: 2 -0.183414303571E+04 -0.12905E-04 -0.16650E-04 1960 0.145E-02 0.294E-02
DAV: 3 -0.183414302278E+04 0.12928E-04 -0.39570E-05 1160 0.749E-03 0.106E-02
DAV: 4 -0.183414302069E+04 0.20891E-05 -0.11723E-05 1024 0.463E-03
535 T= 1166. E= -.17857671E+04 F= -.18341430E+04 E0= -.18341468E+04 EK= 0.48376E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183423183129E+04 -0.88809E-01 -0.21960E-04 2238 0.418E-02 0.383E-02
DAV: 2 -0.183423189578E+04 -0.64485E-04 -0.48317E-04 2128 0.220E-02 0.925E-02
DAV: 3 -0.183423181838E+04 0.77402E-04 -0.23400E-04 1808 0.137E-02 0.122E-02
DAV: 4 -0.183423182033E+04 -0.19516E-05 -0.20567E-05 1168 0.540E-03
536 T= 1168. E= -.17857671E+04 F= -.18342318E+04 E0= -.18342357E+04 EK= 0.48465E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183432059174E+04 -0.88773E-01 -0.22572E-04 2600 0.436E-02 0.331E-02
DAV: 2 -0.183432063044E+04 -0.38698E-04 -0.36589E-04 2120 0.195E-02 0.742E-02
DAV: 3 -0.183432057906E+04 0.51382E-04 -0.17125E-04 1640 0.117E-02 0.120E-02
DAV: 4 -0.183432058004E+04 -0.98439E-06 -0.23017E-05 1176 0.573E-03
537 T= 1170. E= -.17857671E+04 F= -.18343206E+04 E0= -.18343244E+04 EK= 0.48554E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183440930370E+04 -0.88725E-01 -0.21048E-04 2254 0.420E-02 0.244E-02
DAV: 2 -0.183440931268E+04 -0.89811E-05 -0.19009E-04 1944 0.168E-02 0.328E-02
DAV: 3 -0.183440929773E+04 0.14958E-04 -0.67818E-05 1518 0.960E-03 0.106E-02
DAV: 4 -0.183440929554E+04 0.21812E-05 -0.17614E-05 1040 0.547E-03
538 T= 1172. E= -.17857671E+04 F= -.18344093E+04 E0= -.18344132E+04 EK= 0.48642E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183449797126E+04 -0.88674E-01 -0.13371E-04 2206 0.405E-02 0.253E-02
DAV: 2 -0.183449799851E+04 -0.27251E-04 -0.24350E-04 2008 0.158E-02 0.590E-02
DAV: 3 -0.183449796577E+04 0.32742E-04 -0.10164E-04 1392 0.912E-03 0.104E-02
DAV: 4 -0.183449796591E+04 -0.13887E-06 -0.14991E-05 1040 0.494E-03
539 T= 1174. E= -.17857671E+04 F= -.18344980E+04 E0= -.18345019E+04 EK= 0.48731E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183458660285E+04 -0.88637E-01 -0.14575E-04 2432 0.413E-02 0.259E-02
DAV: 2 -0.183458662319E+04 -0.20343E-04 -0.22176E-04 1984 0.159E-02 0.557E-02
DAV: 3 -0.183458659561E+04 0.27582E-04 -0.93922E-05 1480 0.897E-03 0.994E-03
DAV: 4 -0.183458659580E+04 -0.18920E-06 -0.17430E-05 1032 0.534E-03
540 T= 1177. E= -.17857670E+04 F= -.18345866E+04 E0= -.18345908E+04 EK= 0.48820E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183467519017E+04 -0.88595E-01 -0.19734E-04 2230 0.425E-02 0.225E-02
DAV: 2 -0.183467519704E+04 -0.68694E-05 -0.16085E-04 1920 0.161E-02 0.306E-02
DAV: 3 -0.183467518394E+04 0.13093E-04 -0.56684E-05 1328 0.914E-03 0.109E-02
DAV: 4 -0.183467518282E+04 0.11278E-05 -0.24740E-05 1176 0.609E-03
541 T= 1179. E= -.17857670E+04 F= -.18346752E+04 E0= -.18346794E+04 EK= 0.48908E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183476373319E+04 -0.88549E-01 -0.15874E-04 2446 0.411E-02 0.258E-02
DAV: 2 -0.183476373602E+04 -0.28257E-05 -0.15728E-04 2000 0.163E-02 0.353E-02
DAV: 3 -0.183476372308E+04 0.12932E-04 -0.77644E-05 1630 0.908E-03 0.951E-03
DAV: 4 -0.183476372327E+04 -0.18928E-06 -0.16398E-05 976 0.478E-03
542 T= 1181. E= -.17857670E+04 F= -.18347637E+04 E0= -.18347681E+04 EK= 0.48997E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183485223362E+04 -0.88511E-01 -0.87208E-05 1982 0.415E-02 0.212E-02
DAV: 2 -0.183485223770E+04 -0.40759E-05 -0.13485E-04 1936 0.142E-02 0.292E-02
DAV: 3 -0.183485222612E+04 0.11583E-04 -0.47861E-05 1224 0.777E-03 0.859E-03
DAV: 4 -0.183485222515E+04 0.96584E-06 -0.23977E-05 1264 0.656E-03
543 T= 1183. E= -.17857670E+04 F= -.18348522E+04 E0= -.18348566E+04 EK= 0.49085E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183494069690E+04 -0.88471E-01 -0.76965E-05 1822 0.400E-02 0.278E-02
DAV: 2 -0.183494072100E+04 -0.24096E-04 -0.21789E-04 1952 0.184E-02 0.582E-02
DAV: 3 -0.183494068550E+04 0.35495E-04 -0.11521E-04 1476 0.114E-02 0.106E-02
DAV: 4 -0.183494068523E+04 0.26815E-06 -0.20918E-05 1144 0.500E-03
544 T= 1185. E= -.17857670E+04 F= -.18349407E+04 E0= -.18349452E+04 EK= 0.49174E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183502910564E+04 -0.88420E-01 -0.57552E-05 1806 0.398E-02 0.225E-02
DAV: 2 -0.183502912181E+04 -0.16172E-04 -0.15738E-04 1920 0.159E-02 0.452E-02
DAV: 3 -0.183502909884E+04 0.22974E-04 -0.73275E-05 1344 0.975E-03 0.984E-03
DAV: 4 -0.183502909917E+04 -0.33442E-06 -0.17328E-05 1056 0.443E-03
545 T= 1187. E= -.17857670E+04 F= -.18350291E+04 E0= -.18350336E+04 EK= 0.49262E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183511747675E+04 -0.88378E-01 -0.61645E-05 1814 0.403E-02 0.179E-02
DAV: 2 -0.183511748116E+04 -0.44032E-05 -0.10316E-04 1880 0.127E-02 0.257E-02
DAV: 3 -0.183511747315E+04 0.80123E-05 -0.35910E-05 1208 0.661E-03
546 T= 1189. E= -.17857670E+04 F= -.18351175E+04 E0= -.18351221E+04 EK= 0.49350E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183520581384E+04 -0.88333E-01 -0.17491E-04 2542 0.416E-02 0.312E-02
DAV: 2 -0.183520584744E+04 -0.33602E-04 -0.28161E-04 1976 0.174E-02 0.655E-02
DAV: 3 -0.183520580730E+04 0.40143E-04 -0.14121E-04 1574 0.108E-02 0.113E-02
DAV: 4 -0.183520580636E+04 0.94251E-06 -0.19379E-05 1168 0.556E-03
547 T= 1192. E= -.17857670E+04 F= -.18352058E+04 E0= -.18352105E+04 EK= 0.49439E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183529409711E+04 -0.88290E-01 -0.18778E-04 2254 0.413E-02 0.271E-02
DAV: 2 -0.183529411887E+04 -0.21755E-04 -0.24084E-04 1920 0.166E-02 0.489E-02
DAV: 3 -0.183529409486E+04 0.24006E-04 -0.10091E-04 1560 0.946E-03 0.125E-02
DAV: 4 -0.183529409475E+04 0.11035E-06 -0.15342E-05 1016 0.481E-03
548 T= 1194. E= -.17857670E+04 F= -.18352941E+04 E0= -.18352990E+04 EK= 0.49527E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183538235369E+04 -0.88259E-01 -0.16291E-04 2182 0.430E-02 0.274E-02
DAV: 2 -0.183538237991E+04 -0.26216E-04 -0.24464E-04 1960 0.202E-02 0.472E-02
DAV: 3 -0.183538234760E+04 0.32308E-04 -0.10574E-04 1648 0.123E-02 0.132E-02
DAV: 4 -0.183538234674E+04 0.86211E-06 -0.16805E-05 1080 0.455E-03
549 T= 1196. E= -.17857670E+04 F= -.18353823E+04 E0= -.18353872E+04 EK= 0.49615E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183547056582E+04 -0.88218E-01 -0.18587E-04 2518 0.418E-02 0.251E-02
DAV: 2 -0.183547057584E+04 -0.10025E-04 -0.18130E-04 1976 0.168E-02 0.355E-02
DAV: 3 -0.183547055731E+04 0.18530E-04 -0.72336E-05 1528 0.101E-02 0.106E-02
DAV: 4 -0.183547055566E+04 0.16464E-05 -0.20186E-05 1128 0.563E-03
550 T= 1198. E= -.17857670E+04 F= -.18354706E+04 E0= -.18354755E+04 EK= 0.49704E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183555872809E+04 -0.88171E-01 -0.19279E-04 2214 0.420E-02 0.341E-02
DAV: 2 -0.183555877616E+04 -0.48072E-04 -0.36081E-04 1992 0.201E-02 0.797E-02
DAV: 3 -0.183555871811E+04 0.58051E-04 -0.18582E-04 1688 0.122E-02 0.104E-02
DAV: 4 -0.183555871958E+04 -0.14689E-05 -0.18444E-05 1128 0.538E-03
551 T= 1200. E= -.17857670E+04 F= -.18355587E+04 E0= -.18355637E+04 EK= 0.49792E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183564685957E+04 -0.88141E-01 -0.14139E-04 2280 0.419E-02 0.325E-02
DAV: 2 -0.183564689245E+04 -0.32888E-04 -0.30571E-04 2000 0.180E-02 0.689E-02
DAV: 3 -0.183564684794E+04 0.44509E-04 -0.15117E-04 1598 0.112E-02 0.119E-02
DAV: 4 -0.183564684807E+04 -0.12446E-06 -0.19290E-05 1104 0.547E-03
552 T= 1202. E= -.17857670E+04 F= -.18356468E+04 E0= -.18356520E+04 EK= 0.49880E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183573494203E+04 -0.88094E-01 -0.18332E-04 2150 0.429E-02 0.227E-02
DAV: 2 -0.183573495099E+04 -0.89653E-05 -0.17378E-04 1904 0.163E-02 0.315E-02
DAV: 3 -0.183573493608E+04 0.14916E-04 -0.58881E-05 1376 0.916E-03 0.100E-02
DAV: 4 -0.183573493438E+04 0.16917E-05 -0.28046E-05 1408 0.683E-03
553 T= 1204. E= -.17857670E+04 F= -.18357349E+04 E0= -.18357402E+04 EK= 0.49968E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183582297973E+04 -0.88044E-01 -0.54163E-05 1790 0.396E-02 0.175E-02
DAV: 2 -0.183582298885E+04 -0.91196E-05 -0.12424E-04 1936 0.125E-02 0.328E-02
DAV: 3 -0.183582297898E+04 0.98671E-05 -0.38545E-05 1232 0.610E-03
554 T= 1206. E= -.17857670E+04 F= -.18358230E+04 E0= -.18358282E+04 EK= 0.50056E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183591099473E+04 -0.88006E-01 -0.71162E-05 1878 0.407E-02 0.310E-02
DAV: 2 -0.183591105762E+04 -0.62898E-04 -0.38374E-04 2056 0.222E-02 0.828E-02
DAV: 3 -0.183591098770E+04 0.69921E-04 -0.19112E-04 1740 0.137E-02 0.120E-02
DAV: 4 -0.183591098821E+04 -0.50811E-06 -0.10886E-05 1096 0.372E-03
555 T= 1209. E= -.17857670E+04 F= -.18359110E+04 E0= -.18359163E+04 EK= 0.50144E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183599896529E+04 -0.87978E-01 -0.15378E-04 2022 0.412E-02 0.358E-02
DAV: 2 -0.183599902963E+04 -0.64333E-04 -0.45827E-04 2224 0.267E-02 0.742E-02
DAV: 3 -0.183599895754E+04 0.72087E-04 -0.21036E-04 1896 0.166E-02 0.173E-02
DAV: 4 -0.183599895645E+04 0.10877E-05 -0.18945E-05 1200 0.469E-03
556 T= 1211. E= -.17857670E+04 F= -.18359990E+04 E0= -.18360044E+04 EK= 0.50232E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183608687495E+04 -0.87917E-01 -0.18144E-04 2094 0.405E-02 0.270E-02
DAV: 2 -0.183608690406E+04 -0.29105E-04 -0.34535E-04 2072 0.214E-02 0.420E-02
DAV: 3 -0.183608688079E+04 0.23265E-04 -0.99000E-05 1752 0.111E-02 0.126E-02
DAV: 4 -0.183608687970E+04 0.10885E-05 -0.87806E-06 984 0.354E-03
557 T= 1213. E= -.17857670E+04 F= -.18360869E+04 E0= -.18360924E+04 EK= 0.50320E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183617476351E+04 -0.87883E-01 -0.14356E-04 2030 0.404E-02 0.255E-02
DAV: 2 -0.183617478218E+04 -0.18669E-04 -0.31258E-04 2008 0.207E-02 0.306E-02
DAV: 3 -0.183617476989E+04 0.12293E-04 -0.65166E-05 1584 0.102E-02 0.137E-02
DAV: 4 -0.183617476731E+04 0.25776E-05 -0.10986E-05 912 0.425E-03
558 T= 1215. E= -.17857670E+04 F= -.18361748E+04 E0= -.18361804E+04 EK= 0.50408E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183626262564E+04 -0.87856E-01 -0.11607E-04 2024 0.403E-02 0.307E-02
DAV: 2 -0.183626264274E+04 -0.17101E-04 -0.36505E-04 2072 0.226E-02 0.383E-02
DAV: 3 -0.183626262571E+04 0.17035E-04 -0.10272E-04 1692 0.119E-02 0.207E-02
DAV: 4 -0.183626262010E+04 0.56067E-05 -0.16688E-05 1024 0.513E-03
559 T= 1217. E= -.17857670E+04 F= -.18362626E+04 E0= -.18362683E+04 EK= 0.50496E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183635042382E+04 -0.87798E-01 -0.17264E-04 1934 0.408E-02 0.292E-02
DAV: 2 -0.183635044746E+04 -0.23640E-04 -0.38202E-04 2112 0.225E-02 0.392E-02
DAV: 3 -0.183635042873E+04 0.18720E-04 -0.98351E-05 1712 0.109E-02 0.142E-02
DAV: 4 -0.183635042621E+04 0.25247E-05 -0.12308E-05 984 0.435E-03
560 T= 1219. E= -.17857670E+04 F= -.18363504E+04 E0= -.18363562E+04 EK= 0.50583E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183643819121E+04 -0.87762E-01 -0.17519E-04 1966 0.413E-02 0.297E-02
DAV: 2 -0.183643821977E+04 -0.28555E-04 -0.39723E-04 2152 0.232E-02 0.391E-02
DAV: 3 -0.183643819755E+04 0.22224E-04 -0.10174E-04 1736 0.117E-02 0.139E-02
DAV: 4 -0.183643819574E+04 0.18039E-05 -0.10698E-05 992 0.409E-03
561 T= 1221. E= -.17857670E+04 F= -.18364382E+04 E0= -.18364441E+04 EK= 0.50671E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183652593505E+04 -0.87737E-01 -0.21819E-04 1990 0.428E-02 0.226E-02
DAV: 2 -0.183652595032E+04 -0.15275E-04 -0.30913E-04 2032 0.195E-02 0.248E-02
DAV: 3 -0.183652593979E+04 0.10531E-04 -0.40948E-05 1296 0.841E-03 0.143E-02
DAV: 4 -0.183652593630E+04 0.34918E-05 -0.79648E-06 944 0.401E-03
562 T= 1223. E= -.17857670E+04 F= -.18365259E+04 E0= -.18365319E+04 EK= 0.50759E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183661362640E+04 -0.87687E-01 -0.31590E-04 2152 0.430E-02 0.295E-02
DAV: 2 -0.183661368380E+04 -0.57394E-04 -0.44129E-04 2024 0.214E-02 0.776E-02
DAV: 3 -0.183661362870E+04 0.55098E-04 -0.14889E-04 1640 0.114E-02 0.138E-02
DAV: 4 -0.183661362790E+04 0.79676E-06 -0.99086E-06 1032 0.394E-03
563 T= 1225. E= -.17857670E+04 F= -.18366136E+04 E0= -.18366197E+04 EK= 0.50847E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183670128677E+04 -0.87658E-01 -0.28982E-04 2238 0.432E-02 0.421E-02
DAV: 2 -0.183670137215E+04 -0.85377E-04 -0.62344E-04 2168 0.251E-02 0.958E-02
DAV: 3 -0.183670128148E+04 0.90669E-04 -0.28409E-04 1894 0.152E-02 0.162E-02
DAV: 4 -0.183670128260E+04 -0.11180E-05 -0.15918E-05 1160 0.437E-03
564 T= 1228. E= -.17857670E+04 F= -.18367013E+04 E0= -.18367074E+04 EK= 0.50934E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183678892214E+04 -0.87641E-01 -0.14415E-04 2190 0.416E-02 0.319E-02
DAV: 2 -0.183678894128E+04 -0.19133E-04 -0.40949E-04 2024 0.237E-02 0.418E-02
DAV: 3 -0.183678891445E+04 0.26823E-04 -0.10864E-04 1872 0.122E-02 0.160E-02
DAV: 4 -0.183678891026E+04 0.41969E-05 -0.12709E-05 1008 0.469E-03
565 T= 1230. E= -.17857670E+04 F= -.18367889E+04 E0= -.18367951E+04 EK= 0.51022E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183687649420E+04 -0.87580E-01 -0.26447E-04 2142 0.414E-02 0.423E-02
DAV: 2 -0.183687657091E+04 -0.76709E-04 -0.72887E-04 2016 0.274E-02 0.843E-02
DAV: 3 -0.183687649019E+04 0.80713E-04 -0.31307E-04 1992 0.172E-02 0.208E-02
DAV: 4 -0.183687648761E+04 0.25795E-05 -0.23680E-05 1192 0.536E-03
566 T= 1232. E= -.17857669E+04 F= -.18368765E+04 E0= -.18368827E+04 EK= 0.51110E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183696402730E+04 -0.87537E-01 -0.25774E-04 2126 0.427E-02 0.267E-02
DAV: 2 -0.183696406109E+04 -0.33796E-04 -0.47932E-04 1952 0.215E-02 0.433E-02
DAV: 3 -0.183696403712E+04 0.23970E-04 -0.12971E-04 1616 0.109E-02 0.178E-02
DAV: 4 -0.183696403376E+04 0.33623E-05 -0.12549E-05 992 0.432E-03
567 T= 1234. E= -.17857669E+04 F= -.18369640E+04 E0= -.18369704E+04 EK= 0.51197E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183705155650E+04 -0.87519E-01 -0.20397E-04 1990 0.426E-02 0.307E-02
DAV: 2 -0.183705157221E+04 -0.15707E-04 -0.41346E-04 1984 0.218E-02 0.353E-02
DAV: 3 -0.183705155621E+04 0.15997E-04 -0.85022E-05 1576 0.102E-02 0.182E-02
DAV: 4 -0.183705155180E+04 0.44145E-05 -0.14932E-05 968 0.469E-03
568 T= 1236. E= -.17857669E+04 F= -.18370516E+04 E0= -.18370580E+04 EK= 0.51285E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183713903399E+04 -0.87478E-01 -0.18325E-04 2200 0.413E-02 0.317E-02
DAV: 2 -0.183713905776E+04 -0.23766E-04 -0.48187E-04 2096 0.241E-02 0.438E-02
DAV: 3 -0.183713903041E+04 0.27348E-04 -0.14784E-04 1760 0.127E-02 0.206E-02
DAV: 4 -0.183713902532E+04 0.50937E-05 -0.17701E-05 1040 0.519E-03
569 T= 1238. E= -.17857669E+04 F= -.18371390E+04 E0= -.18371455E+04 EK= 0.51372E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183722645959E+04 -0.87429E-01 -0.24232E-04 2094 0.423E-02 0.294E-02
DAV: 2 -0.183722648880E+04 -0.29212E-04 -0.45847E-04 2128 0.236E-02 0.402E-02
DAV: 3 -0.183722646100E+04 0.27797E-04 -0.12216E-04 1784 0.123E-02 0.153E-02
DAV: 4 -0.183722645886E+04 0.21423E-05 -0.11687E-05 1008 0.424E-03
570 T= 1240. E= -.17857669E+04 F= -.18372265E+04 E0= -.18372331E+04 EK= 0.51460E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183731388120E+04 -0.87420E-01 -0.20246E-04 2108 0.429E-02 0.344E-02
DAV: 2 -0.183731390939E+04 -0.28186E-04 -0.46255E-04 2064 0.234E-02 0.545E-02
DAV: 3 -0.183731387658E+04 0.32808E-04 -0.14067E-04 1824 0.120E-02 0.201E-02
DAV: 4 -0.183731387131E+04 0.52671E-05 -0.18151E-05 1040 0.505E-03
571 T= 1242. E= -.17857669E+04 F= -.18373139E+04 E0= -.18373206E+04 EK= 0.51547E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183740125837E+04 -0.87382E-01 -0.18361E-04 2134 0.423E-02 0.308E-02
DAV: 2 -0.183740126474E+04 -0.63677E-05 -0.37864E-04 2024 0.225E-02 0.319E-02
DAV: 3 -0.183740124842E+04 0.16317E-04 -0.77942E-05 1640 0.107E-02 0.158E-02
DAV: 4 -0.183740124202E+04 0.64065E-05 -0.13639E-05 1024 0.528E-03
572 T= 1244. E= -.17857669E+04 F= -.18374012E+04 E0= -.18374080E+04 EK= 0.51634E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183748856101E+04 -0.87313E-01 -0.36085E-04 2104 0.447E-02 0.273E-02
DAV: 2 -0.183748859560E+04 -0.34592E-04 -0.53645E-04 1952 0.206E-02 0.460E-02
DAV: 3 -0.183748856850E+04 0.27103E-04 -0.15620E-04 1528 0.105E-02 0.174E-02
DAV: 4 -0.183748856529E+04 0.32060E-05 -0.12104E-05 992 0.405E-03
573 T= 1247. E= -.17857669E+04 F= -.18374886E+04 E0= -.18374954E+04 EK= 0.51722E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183757590337E+04 -0.87335E-01 -0.38214E-04 2180 0.462E-02 0.271E-02
DAV: 2 -0.183757591314E+04 -0.97750E-05 -0.54673E-04 1968 0.198E-02 0.359E-02
DAV: 3 -0.183757588717E+04 0.25976E-04 -0.15273E-04 1424 0.995E-03 0.151E-02
DAV: 4 -0.183757588103E+04 0.61339E-05 -0.13717E-05 1024 0.480E-03
574 T= 1249. E= -.17857669E+04 F= -.18375759E+04 E0= -.18375828E+04 EK= 0.51809E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183766316084E+04 -0.87274E-01 -0.27866E-04 2438 0.437E-02 0.384E-02
DAV: 2 -0.183766322414E+04 -0.63299E-04 -0.53757E-04 2096 0.234E-02 0.883E-02
DAV: 3 -0.183766314422E+04 0.79912E-04 -0.22051E-04 1872 0.147E-02 0.164E-02
DAV: 4 -0.183766314116E+04 0.30670E-05 -0.26270E-05 1160 0.503E-03
575 T= 1251. E= -.17857669E+04 F= -.18376631E+04 E0= -.18376702E+04 EK= 0.51896E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183775037429E+04 -0.87230E-01 -0.25775E-04 2496 0.437E-02 0.331E-02
DAV: 2 -0.183775041868E+04 -0.44391E-04 -0.40164E-04 2040 0.202E-02 0.702E-02
DAV: 3 -0.183775036743E+04 0.51248E-04 -0.15954E-04 1640 0.124E-02 0.157E-02
DAV: 4 -0.183775036557E+04 0.18601E-05 -0.22957E-05 1064 0.493E-03
576 T= 1253. E= -.17857669E+04 F= -.18377504E+04 E0= -.18377575E+04 EK= 0.51983E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183783760055E+04 -0.87233E-01 -0.26554E-04 2272 0.450E-02 0.235E-02
DAV: 2 -0.183783760209E+04 -0.15352E-05 -0.36051E-04 1920 0.166E-02 0.282E-02
DAV: 3 -0.183783758361E+04 0.18481E-04 -0.95143E-05 1328 0.844E-03 0.131E-02
DAV: 4 -0.183783757634E+04 0.72658E-05 -0.16729E-05 1056 0.537E-03
577 T= 1255. E= -.17857669E+04 F= -.18378376E+04 E0= -.18378447E+04 EK= 0.52071E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183792475700E+04 -0.87173E-01 -0.19876E-04 2624 0.426E-02 0.283E-02
DAV: 2 -0.183792477120E+04 -0.14204E-04 -0.29053E-04 2024 0.168E-02 0.496E-02
DAV: 3 -0.183792474214E+04 0.29065E-04 -0.10332E-04 1424 0.101E-02 0.148E-02
DAV: 4 -0.183792473765E+04 0.44833E-05 -0.26749E-05 1072 0.538E-03
578 T= 1257. E= -.17857669E+04 F= -.18379247E+04 E0= -.18379320E+04 EK= 0.52158E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183801187707E+04 -0.87135E-01 -0.18295E-04 2606 0.430E-02 0.265E-02
DAV: 2 -0.183801189511E+04 -0.18036E-04 -0.25234E-04 1992 0.164E-02 0.498E-02
DAV: 3 -0.183801186775E+04 0.27354E-04 -0.91334E-05 1408 0.976E-03 0.139E-02
DAV: 4 -0.183801186543E+04 0.23193E-05 -0.25081E-05 1000 0.503E-03
579 T= 1259. E= -.17857669E+04 F= -.18380119E+04 E0= -.18380192E+04 EK= 0.52245E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183809900310E+04 -0.87135E-01 -0.22340E-04 2398 0.443E-02 0.214E-02
DAV: 2 -0.183809899546E+04 0.76413E-05 -0.22282E-04 1904 0.150E-02 0.262E-02
DAV: 3 -0.183809898396E+04 0.11495E-04 -0.69266E-05 1280 0.802E-03 0.134E-02
DAV: 4 -0.183809897772E+04 0.62403E-05 -0.19055E-05 1072 0.551E-03
580 T= 1261. E= -.17857669E+04 F= -.18380990E+04 E0= -.18381065E+04 EK= 0.52332E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183818606510E+04 -0.87081E-01 -0.17542E-04 2600 0.428E-02 0.224E-02
DAV: 2 -0.183818605776E+04 0.73366E-05 -0.18626E-04 1912 0.136E-02 0.214E-02
DAV: 3 -0.183818604736E+04 0.10400E-04 -0.69457E-05 1352 0.784E-03 0.103E-02
DAV: 4 -0.183818604074E+04 0.66207E-05 -0.14838E-05 1136 0.546E-03
581 T= 1263. E= -.17857669E+04 F= -.18381860E+04 E0= -.18381936E+04 EK= 0.52419E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183827308387E+04 -0.87037E-01 -0.55931E-05 1864 0.413E-02 0.186E-02
DAV: 2 -0.183827308936E+04 -0.54921E-05 -0.12587E-04 1880 0.124E-02 0.299E-02
DAV: 3 -0.183827307906E+04 0.10303E-04 -0.36204E-05 1168 0.666E-03 0.108E-02
DAV: 4 -0.183827307593E+04 0.31347E-05 -0.14015E-05 960 0.450E-03
582 T= 1265. E= -.17857669E+04 F= -.18382731E+04 E0= -.18382807E+04 EK= 0.52506E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183836012906E+04 -0.87050E-01 -0.90334E-05 2072 0.424E-02 0.194E-02
DAV: 2 -0.183836011983E+04 0.92361E-05 -0.15973E-04 1904 0.138E-02 0.262E-02
DAV: 3 -0.183836010463E+04 0.15194E-04 -0.44876E-05 1208 0.792E-03 0.129E-02
DAV: 4 -0.183836009535E+04 0.92862E-05 -0.19667E-05 1160 0.560E-03
583 T= 1268. E= -.17857669E+04 F= -.18383601E+04 E0= -.18383678E+04 EK= 0.52593E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183844707838E+04 -0.86974E-01 -0.20903E-04 2366 0.435E-02 0.359E-02
DAV: 2 -0.183844710307E+04 -0.24689E-04 -0.36460E-04 2136 0.207E-02 0.675E-02
DAV: 3 -0.183844705981E+04 0.43257E-04 -0.17627E-04 1808 0.120E-02 0.132E-02
DAV: 4 -0.183844706040E+04 -0.59095E-06 -0.26031E-05 1176 0.635E-03
584 T= 1270. E= -.17857669E+04 F= -.18384471E+04 E0= -.18384550E+04 EK= 0.52680E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183853403635E+04 -0.86977E-01 -0.19782E-04 2476 0.455E-02 0.358E-02
DAV: 2 -0.183853404957E+04 -0.13211E-04 -0.29672E-04 2160 0.195E-02 0.583E-02
DAV: 3 -0.183853401383E+04 0.35734E-04 -0.15403E-04 1750 0.117E-02 0.160E-02
DAV: 4 -0.183853401169E+04 0.21439E-05 -0.28571E-05 1272 0.681E-03
585 T= 1272. E= -.17857669E+04 F= -.18385340E+04 E0= -.18385418E+04 EK= 0.52767E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183862095603E+04 -0.86942E-01 -0.16710E-04 2054 0.439E-02 0.263E-02
DAV: 2 -0.183862095537E+04 0.65991E-06 -0.16406E-04 1944 0.178E-02 0.345E-02
DAV: 3 -0.183862093825E+04 0.17116E-04 -0.67853E-05 1560 0.105E-02 0.132E-02
DAV: 4 -0.183862093282E+04 0.54283E-05 -0.25174E-05 1184 0.618E-03
586 T= 1274. E= -.17857669E+04 F= -.18386209E+04 E0= -.18386289E+04 EK= 0.52854E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183870782494E+04 -0.86887E-01 -0.13935E-04 2214 0.432E-02 0.260E-02
DAV: 2 -0.183870783001E+04 -0.50661E-05 -0.15228E-04 1920 0.170E-02 0.328E-02
DAV: 3 -0.183870781347E+04 0.16540E-04 -0.64410E-05 1512 0.102E-02 0.983E-03
DAV: 4 -0.183870781173E+04 0.17448E-05 -0.23331E-05 1280 0.629E-03
587 T= 1276. E= -.17857669E+04 F= -.18387078E+04 E0= -.18387159E+04 EK= 0.52941E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183879469654E+04 -0.86883E-01 -0.10042E-04 1862 0.430E-02 0.368E-02
DAV: 2 -0.183879473300E+04 -0.36465E-04 -0.35305E-04 1960 0.204E-02 0.776E-02
DAV: 3 -0.183879467683E+04 0.56175E-04 -0.18639E-04 1744 0.124E-02 0.114E-02
DAV: 4 -0.183879467556E+04 0.12709E-05 -0.19246E-05 1160 0.571E-03
588 T= 1278. E= -.17857669E+04 F= -.18387947E+04 E0= -.18388029E+04 EK= 0.53028E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183888154002E+04 -0.86863E-01 -0.81626E-05 1840 0.430E-02 0.328E-02
DAV: 2 -0.183888156035E+04 -0.20333E-04 -0.28878E-04 2008 0.175E-02 0.639E-02
DAV: 3 -0.183888151757E+04 0.42781E-04 -0.14531E-04 1512 0.111E-02 0.139E-02
DAV: 4 -0.183888151250E+04 0.50759E-05 -0.23125E-05 1256 0.631E-03
589 T= 1280. E= -.17857669E+04 F= -.18388815E+04 E0= -.18388896E+04 EK= 0.53115E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183896831340E+04 -0.86796E-01 -0.16422E-04 2110 0.440E-02 0.273E-02
DAV: 2 -0.183896832212E+04 -0.87234E-05 -0.18302E-04 2000 0.186E-02 0.343E-02
DAV: 3 -0.183896830542E+04 0.16696E-04 -0.71905E-05 1696 0.106E-02 0.101E-02
DAV: 4 -0.183896830464E+04 0.78023E-06 -0.21899E-05 1176 0.614E-03
590 T= 1282. E= -.17857669E+04 F= -.18389683E+04 E0= -.18389766E+04 EK= 0.53201E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183905510762E+04 -0.86802E-01 -0.12993E-04 2158 0.446E-02 0.272E-02
DAV: 2 -0.183905511270E+04 -0.50811E-05 -0.20515E-04 1960 0.171E-02 0.460E-02
DAV: 3 -0.183905508993E+04 0.22764E-04 -0.85609E-05 1592 0.923E-03 0.119E-02
DAV: 4 -0.183905508700E+04 0.29378E-05 -0.26875E-05 1296 0.697E-03
591 T= 1284. E= -.17857669E+04 F= -.18390551E+04 E0= -.18390633E+04 EK= 0.53288E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183914185783E+04 -0.86768E-01 -0.10695E-04 1968 0.432E-02 0.254E-02
DAV: 2 -0.183914185667E+04 0.11639E-05 -0.17222E-04 1968 0.162E-02 0.411E-02
DAV: 3 -0.183914184068E+04 0.15991E-04 -0.70599E-05 1550 0.838E-03 0.113E-02
DAV: 4 -0.183914183638E+04 0.42914E-05 -0.19529E-05 1120 0.615E-03
592 T= 1286. E= -.17857669E+04 F= -.18391418E+04 E0= -.18391504E+04 EK= 0.53375E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183922855981E+04 -0.86719E-01 -0.13606E-04 1958 0.442E-02 0.242E-02
DAV: 2 -0.183922856775E+04 -0.79387E-05 -0.15850E-04 1928 0.179E-02 0.330E-02
DAV: 3 -0.183922855164E+04 0.16111E-04 -0.59819E-05 1440 0.102E-02 0.111E-02
DAV: 4 -0.183922855133E+04 0.31016E-06 -0.27875E-05 1288 0.626E-03
593 T= 1288. E= -.17857668E+04 F= -.18392286E+04 E0= -.18392371E+04 EK= 0.53462E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183931527188E+04 -0.86720E-01 -0.10148E-04 2054 0.439E-02 0.262E-02
DAV: 2 -0.183931527106E+04 0.81885E-06 -0.15929E-04 1936 0.169E-02 0.340E-02
DAV: 3 -0.183931525412E+04 0.16938E-04 -0.65563E-05 1552 0.966E-03 0.104E-02
DAV: 4 -0.183931524994E+04 0.41839E-05 -0.21409E-05 1208 0.608E-03
594 T= 1291. E= -.17857668E+04 F= -.18393152E+04 E0= -.18393239E+04 EK= 0.53548E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183940194087E+04 -0.86687E-01 -0.80493E-05 1880 0.429E-02 0.233E-02
DAV: 2 -0.183940194656E+04 -0.56920E-05 -0.16227E-04 1944 0.164E-02 0.387E-02
DAV: 3 -0.183940192557E+04 0.20993E-04 -0.65026E-05 1336 0.986E-03 0.122E-02
DAV: 4 -0.183940192201E+04 0.35555E-05 -0.22314E-05 1248 0.555E-03
595 T= 1293. E= -.17857668E+04 F= -.18394019E+04 E0= -.18394106E+04 EK= 0.53635E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183948856579E+04 -0.86640E-01 -0.65386E-05 1840 0.417E-02 0.205E-02
DAV: 2 -0.183948857327E+04 -0.74845E-05 -0.12878E-04 1928 0.149E-02 0.320E-02
DAV: 3 -0.183948856066E+04 0.12608E-04 -0.46834E-05 1302 0.828E-03 0.986E-03
DAV: 4 -0.183948856021E+04 0.45096E-06 -0.16995E-05 1048 0.495E-03
596 T= 1295. E= -.17857668E+04 F= -.18394886E+04 E0= -.18394974E+04 EK= 0.53722E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183957519833E+04 -0.86638E-01 -0.82681E-05 1828 0.437E-02 0.220E-02
DAV: 2 -0.183957519972E+04 -0.13864E-05 -0.13217E-04 1880 0.145E-02 0.291E-02
DAV: 3 -0.183957518834E+04 0.11378E-04 -0.46364E-05 1288 0.759E-03 0.107E-02
DAV: 4 -0.183957518481E+04 0.35287E-05 -0.21616E-05 1216 0.615E-03
597 T= 1297. E= -.17857668E+04 F= -.18395752E+04 E0= -.18395840E+04 EK= 0.53808E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183966180001E+04 -0.86612E-01 -0.90638E-05 1982 0.427E-02 0.245E-02
DAV: 2 -0.183966180052E+04 -0.50930E-06 -0.14260E-04 1968 0.168E-02 0.316E-02
DAV: 3 -0.183966178441E+04 0.16109E-04 -0.57598E-05 1464 0.974E-03 0.102E-02
DAV: 4 -0.183966178110E+04 0.33137E-05 -0.20638E-05 1200 0.599E-03
598 T= 1299. E= -.17857668E+04 F= -.18396618E+04 E0= -.18396707E+04 EK= 0.53895E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183974835833E+04 -0.86574E-01 -0.92271E-05 1894 0.433E-02 0.235E-02
DAV: 2 -0.183974836085E+04 -0.25179E-05 -0.13916E-04 1936 0.156E-02 0.316E-02
DAV: 3 -0.183974834899E+04 0.11863E-04 -0.55912E-05 1384 0.821E-03 0.101E-02
DAV: 4 -0.183974834892E+04 0.62180E-07 -0.21534E-05 1152 0.599E-03
599 T= 1301. E= -.17857668E+04 F= -.18397483E+04 E0= -.18397573E+04 EK= 0.53982E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183983491960E+04 -0.86571E-01 -0.81551E-05 1910 0.438E-02 0.221E-02
DAV: 2 -0.183983491189E+04 0.77073E-05 -0.11588E-04 1912 0.145E-02 0.243E-02
DAV: 3 -0.183983490476E+04 0.71303E-05 -0.45723E-05 1452 0.754E-03
600 T= 1303. E= -.17857668E+04 F= -.18398349E+04 E0= -.18398441E+04 EK= 0.54068E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183992145396E+04 -0.86542E-01 -0.20983E-04 2638 0.454E-02 0.303E-02
DAV: 2 -0.183992146995E+04 -0.15986E-04 -0.27187E-04 2200 0.189E-02 0.617E-02
DAV: 3 -0.183992143243E+04 0.37525E-04 -0.12136E-04 1560 0.106E-02 0.102E-02
DAV: 4 -0.183992142757E+04 0.48538E-05 -0.25121E-05 1360 0.664E-03
601 T= 1305. E= -.17857668E+04 F= -.18399214E+04 E0= -.18399307E+04 EK= 0.54155E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184000792924E+04 -0.86497E-01 -0.10364E-04 1958 0.426E-02 0.281E-02
DAV: 2 -0.184000796797E+04 -0.38732E-04 -0.30170E-04 2008 0.187E-02 0.636E-02
DAV: 3 -0.184000792564E+04 0.42333E-04 -0.12606E-04 1448 0.109E-02 0.968E-03
DAV: 4 -0.184000792537E+04 0.27110E-06 -0.15960E-05 1128 0.528E-03
602 T= 1307. E= -.17857668E+04 F= -.18400079E+04 E0= -.18400172E+04 EK= 0.54241E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184009442286E+04 -0.86497E-01 -0.73029E-05 1822 0.419E-02 0.164E-02
DAV: 2 -0.184009443063E+04 -0.77640E-05 -0.15271E-04 1968 0.145E-02 0.281E-02
DAV: 3 -0.184009441757E+04 0.13053E-04 -0.44332E-05 1160 0.754E-03 0.119E-02
DAV: 4 -0.184009441513E+04 0.24489E-05 -0.65899E-06 952 0.307E-03
603 T= 1309. E= -.17857668E+04 F= -.18400944E+04 E0= -.18401039E+04 EK= 0.54328E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184018088312E+04 -0.86466E-01 -0.76183E-05 1846 0.417E-02 0.295E-02
DAV: 2 -0.184018090748E+04 -0.24362E-04 -0.23688E-04 1960 0.172E-02 0.540E-02
DAV: 3 -0.184018087546E+04 0.32027E-04 -0.10000E-04 1432 0.101E-02 0.128E-02
DAV: 4 -0.184018087383E+04 0.16252E-05 -0.11782E-05 1016 0.401E-03
604 T= 1311. E= -.17857668E+04 F= -.18401809E+04 E0= -.18401904E+04 EK= 0.54414E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184026730986E+04 -0.86434E-01 -0.13331E-04 2580 0.429E-02 0.263E-02
DAV: 2 -0.184026733065E+04 -0.20782E-04 -0.20751E-04 2016 0.167E-02 0.419E-02
DAV: 3 -0.184026730718E+04 0.23462E-04 -0.75453E-05 1416 0.975E-03 0.124E-02
DAV: 4 -0.184026730703E+04 0.15802E-06 -0.12253E-05 1008 0.388E-03
605 T= 1313. E= -.17857668E+04 F= -.18402673E+04 E0= -.18402769E+04 EK= 0.54501E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184035374567E+04 -0.86438E-01 -0.18472E-04 2566 0.436E-02 0.271E-02
DAV: 2 -0.184035377883E+04 -0.33158E-04 -0.26052E-04 2000 0.207E-02 0.603E-02
DAV: 3 -0.184035373405E+04 0.44787E-04 -0.12031E-04 1632 0.124E-02 0.123E-02
DAV: 4 -0.184035373224E+04 0.18086E-05 -0.14248E-05 1088 0.440E-03
606 T= 1316. E= -.17857668E+04 F= -.18403537E+04 E0= -.18403634E+04 EK= 0.54587E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184044014371E+04 -0.86410E-01 -0.16920E-04 2584 0.431E-02 0.255E-02
DAV: 2 -0.184044016612E+04 -0.22408E-04 -0.21236E-04 2000 0.185E-02 0.474E-02
DAV: 3 -0.184044013460E+04 0.31516E-04 -0.95160E-05 1544 0.114E-02 0.142E-02
DAV: 4 -0.184044013225E+04 0.23516E-05 -0.13969E-05 1056 0.431E-03
607 T= 1318. E= -.17857668E+04 F= -.18404401E+04 E0= -.18404499E+04 EK= 0.54673E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184052650653E+04 -0.86372E-01 -0.23470E-04 2424 0.438E-02 0.266E-02
DAV: 2 -0.184052653013E+04 -0.23595E-04 -0.23934E-04 2000 0.176E-02 0.488E-02
DAV: 3 -0.184052650353E+04 0.26593E-04 -0.91830E-05 1552 0.101E-02 0.113E-02
DAV: 4 -0.184052650369E+04 -0.15048E-06 -0.16062E-05 1048 0.487E-03
608 T= 1320. E= -.17857668E+04 F= -.18405265E+04 E0= -.18405363E+04 EK= 0.54760E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184061288516E+04 -0.86382E-01 -0.19967E-04 2582 0.441E-02 0.270E-02
DAV: 2 -0.184061289670E+04 -0.11546E-04 -0.21108E-04 2056 0.171E-02 0.417E-02
DAV: 3 -0.184061287313E+04 0.23571E-04 -0.80481E-05 1552 0.103E-02 0.129E-02
DAV: 4 -0.184061287071E+04 0.24184E-05 -0.21393E-05 1192 0.540E-03
609 T= 1322. E= -.17857668E+04 F= -.18406129E+04 E0= -.18406229E+04 EK= 0.54846E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184069922899E+04 -0.86356E-01 -0.15299E-04 2196 0.431E-02 0.290E-02
DAV: 2 -0.184069926383E+04 -0.34848E-04 -0.27408E-04 2000 0.215E-02 0.641E-02
DAV: 3 -0.184069921454E+04 0.49297E-04 -0.13560E-04 1760 0.132E-02 0.126E-02
DAV: 4 -0.184069921280E+04 0.17387E-05 -0.19880E-05 1192 0.540E-03
610 T= 1324. E= -.17857668E+04 F= -.18406992E+04 E0= -.18407092E+04 EK= 0.54932E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184078553630E+04 -0.86322E-01 -0.13123E-04 2182 0.433E-02 0.285E-02
DAV: 2 -0.184078556952E+04 -0.33219E-04 -0.25060E-04 2016 0.198E-02 0.552E-02
DAV: 3 -0.184078553157E+04 0.37944E-04 -0.12276E-04 1608 0.125E-02 0.145E-02
DAV: 4 -0.184078553111E+04 0.46162E-06 -0.18267E-05 1152 0.496E-03
611 T= 1326. E= -.17857668E+04 F= -.18407855E+04 E0= -.18407957E+04 EK= 0.55019E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184087185663E+04 -0.86325E-01 -0.18162E-04 2278 0.447E-02 0.230E-02
DAV: 2 -0.184087186818E+04 -0.11556E-04 -0.21070E-04 2000 0.174E-02 0.413E-02
DAV: 3 -0.184087184666E+04 0.21526E-04 -0.65486E-05 1488 0.933E-03 0.120E-02
DAV: 4 -0.184087184406E+04 0.26000E-05 -0.18026E-05 1112 0.537E-03
612 T= 1328. E= -.17857668E+04 F= -.18408718E+04 E0= -.18408820E+04 EK= 0.55105E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184095814930E+04 -0.86303E-01 -0.15877E-04 2488 0.433E-02 0.263E-02
DAV: 2 -0.184095816266E+04 -0.13362E-04 -0.20362E-04 2048 0.185E-02 0.395E-02
DAV: 3 -0.184095813667E+04 0.25990E-04 -0.71774E-05 1560 0.112E-02 0.107E-02
DAV: 4 -0.184095813304E+04 0.36334E-05 -0.24327E-05 1400 0.606E-03
613 T= 1330. E= -.17857668E+04 F= -.18409581E+04 E0= -.18409684E+04 EK= 0.55191E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184104440386E+04 -0.86267E-01 -0.61009E-05 1808 0.413E-02 0.211E-02
DAV: 2 -0.184104441753E+04 -0.13664E-04 -0.15245E-04 1928 0.137E-02 0.364E-02
DAV: 3 -0.184104440253E+04 0.14997E-04 -0.53592E-05 1320 0.768E-03 0.103E-02
DAV: 4 -0.184104440194E+04 0.59644E-06 -0.98636E-06 952 0.413E-03
614 T= 1332. E= -.17857668E+04 F= -.18410444E+04 E0= -.18410548E+04 EK= 0.55278E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184113067669E+04 -0.86274E-01 -0.43270E-05 1696 0.424E-02 0.160E-02
DAV: 2 -0.184113067919E+04 -0.24978E-05 -0.11816E-04 1920 0.120E-02 0.267E-02
DAV: 3 -0.184113067035E+04 0.88388E-05 -0.24896E-05 1120 0.578E-03
615 T= 1334. E= -.17857668E+04 F= -.18411307E+04 E0= -.18411411E+04 EK= 0.55364E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184121692760E+04 -0.86248E-01 -0.17840E-04 2398 0.442E-02 0.217E-02
DAV: 2 -0.184121694345E+04 -0.15858E-04 -0.23585E-04 1944 0.159E-02 0.446E-02
DAV: 3 -0.184121692152E+04 0.21937E-04 -0.64404E-05 1310 0.774E-03 0.128E-02
DAV: 4 -0.184121691594E+04 0.55730E-05 -0.10470E-05 1000 0.479E-03
616 T= 1336. E= -.17857668E+04 F= -.18412169E+04 E0= -.18412275E+04 EK= 0.55450E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184130312303E+04 -0.86202E-01 -0.24839E-04 2240 0.456E-02 0.216E-02
DAV: 2 -0.184130315171E+04 -0.28678E-04 -0.26037E-04 1952 0.166E-02 0.419E-02
DAV: 3 -0.184130313352E+04 0.18192E-04 -0.64889E-05 1320 0.770E-03 0.122E-02
DAV: 4 -0.184130313252E+04 0.99950E-06 -0.76164E-06 920 0.355E-03
617 T= 1338. E= -.17857667E+04 F= -.18413031E+04 E0= -.18413138E+04 EK= 0.55536E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184138937350E+04 -0.86240E-01 -0.17985E-04 2176 0.444E-02 0.196E-02
DAV: 2 -0.184138938353E+04 -0.10031E-04 -0.25103E-04 1960 0.184E-02 0.311E-02
DAV: 3 -0.184138936562E+04 0.17909E-04 -0.44006E-05 1296 0.870E-03 0.131E-02
DAV: 4 -0.184138936128E+04 0.43397E-05 -0.81153E-06 976 0.377E-03
618 T= 1341. E= -.17857668E+04 F= -.18413894E+04 E0= -.18414001E+04 EK= 0.55623E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184147555015E+04 -0.86185E-01 -0.26899E-04 2662 0.440E-02 0.234E-02
DAV: 2 -0.184147557213E+04 -0.21979E-04 -0.29143E-04 2024 0.168E-02 0.422E-02
DAV: 3 -0.184147555072E+04 0.21414E-04 -0.81792E-05 1340 0.872E-03 0.115E-02
DAV: 4 -0.184147554958E+04 0.11359E-05 -0.14205E-05 1024 0.481E-03
619 T= 1343. E= -.17857667E+04 F= -.18414755E+04 E0= -.18414864E+04 EK= 0.55709E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184156174153E+04 -0.86191E-01 -0.29384E-04 2542 0.450E-02 0.221E-02
DAV: 2 -0.184156175302E+04 -0.11490E-04 -0.23191E-04 1984 0.164E-02 0.327E-02
DAV: 3 -0.184156173823E+04 0.14784E-04 -0.66151E-05 1304 0.868E-03 0.116E-02
DAV: 4 -0.184156173726E+04 0.97376E-06 -0.18055E-05 1000 0.526E-03
620 T= 1345. E= -.17857667E+04 F= -.18415617E+04 E0= -.18415726E+04 EK= 0.55795E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184164793470E+04 -0.86196E-01 -0.16591E-04 2144 0.441E-02 0.261E-02
DAV: 2 -0.184164795792E+04 -0.23215E-04 -0.22487E-04 2024 0.198E-02 0.509E-02
DAV: 3 -0.184164792283E+04 0.35088E-04 -0.91484E-05 1560 0.117E-02 0.134E-02
DAV: 4 -0.184164791973E+04 0.31010E-05 -0.18613E-05 1120 0.509E-03
621 T= 1347. E= -.17857667E+04 F= -.18416479E+04 E0= -.18416590E+04 EK= 0.55881E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184173408741E+04 -0.86165E-01 -0.17011E-04 2502 0.433E-02 0.274E-02
DAV: 2 -0.184173410886E+04 -0.21448E-04 -0.20665E-04 2024 0.197E-02 0.449E-02
DAV: 3 -0.184173407739E+04 0.31464E-04 -0.89911E-05 1534 0.123E-02 0.139E-02
DAV: 4 -0.184173407651E+04 0.88289E-06 -0.20770E-05 1152 0.514E-03
622 T= 1349. E= -.17857667E+04 F= -.18417341E+04 E0= -.18417452E+04 EK= 0.55967E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184182023296E+04 -0.86156E-01 -0.19646E-04 2454 0.447E-02 0.249E-02
DAV: 2 -0.184182024819E+04 -0.15229E-04 -0.20275E-04 1976 0.168E-02 0.451E-02
DAV: 3 -0.184182022800E+04 0.20187E-04 -0.71986E-05 1512 0.912E-03 0.112E-02
DAV: 4 -0.184182022754E+04 0.46371E-06 -0.19180E-05 1080 0.546E-03
623 T= 1351. E= -.17857667E+04 F= -.18418202E+04 E0= -.18418315E+04 EK= 0.56054E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184190639471E+04 -0.86167E-01 -0.16325E-04 2414 0.440E-02 0.263E-02
DAV: 2 -0.184190639905E+04 -0.43314E-05 -0.17644E-04 1984 0.160E-02 0.389E-02
DAV: 3 -0.184190637923E+04 0.19820E-04 -0.72205E-05 1472 0.953E-03 0.129E-02
DAV: 4 -0.184190637577E+04 0.34559E-05 -0.24691E-05 1264 0.620E-03
624 T= 1353. E= -.17857667E+04 F= -.18419064E+04 E0= -.18419176E+04 EK= 0.56140E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184199250855E+04 -0.86129E-01 -0.12281E-04 2006 0.434E-02 0.241E-02
DAV: 2 -0.184199252412E+04 -0.15571E-04 -0.17388E-04 1920 0.181E-02 0.412E-02
DAV: 3 -0.184199250151E+04 0.22605E-04 -0.71553E-05 1528 0.106E-02 0.117E-02
DAV: 4 -0.184199250045E+04 0.10624E-05 -0.21745E-05 1152 0.552E-03
625 T= 1355. E= -.17857667E+04 F= -.18419925E+04 E0= -.18420039E+04 EK= 0.56226E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184207863128E+04 -0.86130E-01 -0.10700E-04 2096 0.433E-02 0.247E-02
DAV: 2 -0.184207864034E+04 -0.90668E-05 -0.14509E-04 1928 0.170E-02 0.348E-02
DAV: 3 -0.184207862201E+04 0.18336E-04 -0.63754E-05 1440 0.105E-02 0.134E-02
DAV: 4 -0.184207862127E+04 0.73393E-06 -0.23923E-05 1160 0.569E-03
626 T= 1357. E= -.17857667E+04 F= -.18420786E+04 E0= -.18420901E+04 EK= 0.56312E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184216475529E+04 -0.86133E-01 -0.12276E-04 1992 0.442E-02 0.255E-02
DAV: 2 -0.184216476180E+04 -0.65125E-05 -0.18054E-04 1936 0.163E-02 0.441E-02
DAV: 3 -0.184216474248E+04 0.19319E-04 -0.71165E-05 1496 0.887E-03 0.118E-02
DAV: 4 -0.184216473951E+04 0.29736E-05 -0.22763E-05 1168 0.637E-03
627 T= 1359. E= -.17857667E+04 F= -.18421647E+04 E0= -.18421764E+04 EK= 0.56398E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184225085304E+04 -0.86111E-01 -0.13300E-04 2248 0.436E-02 0.322E-02
DAV: 2 -0.184225086520E+04 -0.12156E-04 -0.21058E-04 1984 0.179E-02 0.468E-02
DAV: 3 -0.184225083938E+04 0.25823E-04 -0.10809E-04 1576 0.110E-02 0.149E-02
DAV: 4 -0.184225083922E+04 0.15748E-06 -0.26940E-05 1256 0.635E-03
628 T= 1361. E= -.17857667E+04 F= -.18422508E+04 E0= -.18422624E+04 EK= 0.56484E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184233694052E+04 -0.86101E-01 -0.13350E-04 1974 0.444E-02 0.247E-02
DAV: 2 -0.184233694912E+04 -0.85915E-05 -0.15484E-04 1936 0.174E-02 0.334E-02
DAV: 3 -0.184233693337E+04 0.15742E-04 -0.59202E-05 1462 0.102E-02 0.115E-02
DAV: 4 -0.184233693281E+04 0.56143E-06 -0.25182E-05 1192 0.579E-03
629 T= 1363. E= -.17857667E+04 F= -.18423369E+04 E0= -.18423487E+04 EK= 0.56570E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184242304626E+04 -0.86113E-01 -0.95096E-05 2060 0.438E-02 0.227E-02
DAV: 2 -0.184242304101E+04 0.52488E-05 -0.11107E-04 1896 0.149E-02 0.252E-02
DAV: 3 -0.184242302994E+04 0.11063E-04 -0.41380E-05 1296 0.905E-03 0.121E-02
DAV: 4 -0.184242302572E+04 0.42242E-05 -0.26653E-05 1320 0.650E-03
630 T= 1365. E= -.17857667E+04 F= -.18424230E+04 E0= -.18424349E+04 EK= 0.56656E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184250911484E+04 -0.86085E-01 -0.88820E-05 1830 0.429E-02 0.322E-02
DAV: 2 -0.184250913710E+04 -0.22262E-04 -0.24531E-04 1936 0.182E-02 0.618E-02
DAV: 3 -0.184250910240E+04 0.34697E-04 -0.12897E-04 1632 0.107E-02 0.103E-02
DAV: 4 -0.184250910265E+04 -0.25057E-06 -0.18021E-05 1080 0.554E-03
631 T= 1368. E= -.17857667E+04 F= -.18425091E+04 E0= -.18425211E+04 EK= 0.56742E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184259519175E+04 -0.86089E-01 -0.69325E-05 1862 0.426E-02 0.368E-02
DAV: 2 -0.184259521921E+04 -0.27459E-04 -0.27247E-04 1992 0.178E-02 0.617E-02
DAV: 3 -0.184259517879E+04 0.40426E-04 -0.15931E-04 1544 0.119E-02 0.160E-02
DAV: 4 -0.184259517875E+04 0.32698E-07 -0.22913E-05 1224 0.603E-03
632 T= 1370. E= -.17857667E+04 F= -.18425952E+04 E0= -.18426071E+04 EK= 0.56828E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184268126351E+04 -0.86085E-01 -0.96993E-05 1886 0.443E-02 0.215E-02
DAV: 2 -0.184268126606E+04 -0.25519E-05 -0.13339E-04 1888 0.154E-02 0.261E-02
DAV: 3 -0.184268125481E+04 0.11249E-04 -0.36475E-05 1288 0.857E-03 0.110E-02
DAV: 4 -0.184268125127E+04 0.35438E-05 -0.24747E-05 1312 0.658E-03
633 T= 1372. E= -.17857667E+04 F= -.18426813E+04 E0= -.18426933E+04 EK= 0.56915E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184276732098E+04 -0.86066E-01 -0.76265E-05 1904 0.426E-02 0.214E-02
DAV: 2 -0.184276732575E+04 -0.47695E-05 -0.13221E-04 1920 0.142E-02 0.345E-02
DAV: 3 -0.184276731378E+04 0.11966E-04 -0.43782E-05 1272 0.724E-03 0.979E-03
DAV: 4 -0.184276731331E+04 0.47029E-06 -0.18589E-05 1048 0.592E-03
634 T= 1374. E= -.17857667E+04 F= -.18427673E+04 E0= -.18427794E+04 EK= 0.57001E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184285338439E+04 -0.86071E-01 -0.57273E-05 1840 0.431E-02 0.257E-02
DAV: 2 -0.184285339568E+04 -0.11287E-04 -0.18183E-04 1944 0.158E-02 0.461E-02
DAV: 3 -0.184285337444E+04 0.21234E-04 -0.72378E-05 1432 0.871E-03 0.106E-02
DAV: 4 -0.184285337398E+04 0.46803E-06 -0.18267E-05 1048 0.569E-03
635 T= 1376. E= -.17857667E+04 F= -.18428534E+04 E0= -.18428657E+04 EK= 0.57087E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184293944914E+04 -0.86075E-01 -0.10533E-04 1952 0.450E-02 0.221E-02
DAV: 2 -0.184293945145E+04 -0.23100E-05 -0.14737E-04 1920 0.165E-02 0.291E-02
DAV: 3 -0.184293943676E+04 0.14691E-04 -0.42084E-05 1302 0.910E-03 0.104E-02
DAV: 4 -0.184293943288E+04 0.38752E-05 -0.29469E-05 1528 0.723E-03
636 T= 1378. E= -.17857667E+04 F= -.18429394E+04 E0= -.18429518E+04 EK= 0.57173E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184302548345E+04 -0.86047E-01 -0.37342E-05 1724 0.414E-02 0.158E-02
DAV: 2 -0.184302548686E+04 -0.34144E-05 -0.94288E-05 1880 0.118E-02
637 T= 1380. E= -.17857667E+04 F= -.18430255E+04 E0= -.18430378E+04 EK= 0.57259E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184311153010E+04 -0.86047E-01 -0.57015E-05 1828 0.416E-02 0.208E-02
DAV: 2 -0.184311154119E+04 -0.11092E-04 -0.14580E-04 1912 0.149E-02 0.252E-02
DAV: 3 -0.184311153489E+04 0.63024E-05 -0.32318E-05 1216 0.645E-03
638 T= 1382. E= -.17857667E+04 F= -.18431115E+04 E0= -.18431241E+04 EK= 0.57345E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184319758737E+04 -0.86046E-01 -0.13462E-04 1832 0.435E-02 0.280E-02
DAV: 2 -0.184319761161E+04 -0.24245E-04 -0.31388E-04 1944 0.200E-02 0.477E-02
DAV: 3 -0.184319758927E+04 0.22344E-04 -0.92219E-05 1536 0.943E-03 0.141E-02
DAV: 4 -0.184319758545E+04 0.38157E-05 -0.11610E-05 976 0.501E-03
639 T= 1384. E= -.17857667E+04 F= -.18431976E+04 E0= -.18432102E+04 EK= 0.57431E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184328362109E+04 -0.86032E-01 -0.16924E-04 2102 0.435E-02 0.263E-02
DAV: 2 -0.184328364752E+04 -0.26424E-04 -0.28845E-04 1944 0.193E-02 0.375E-02
DAV: 3 -0.184328363131E+04 0.16205E-04 -0.63320E-05 1500 0.889E-03 0.143E-02
DAV: 4 -0.184328362930E+04 0.20139E-05 -0.11103E-05 960 0.419E-03
640 T= 1386. E= -.17857667E+04 F= -.18432836E+04 E0= -.18432964E+04 EK= 0.57517E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184336967945E+04 -0.86048E-01 -0.19135E-04 2206 0.444E-02 0.292E-02
DAV: 2 -0.184336972562E+04 -0.46165E-04 -0.36758E-04 2184 0.253E-02 0.556E-02
DAV: 3 -0.184336967832E+04 0.47293E-04 -0.12711E-04 1920 0.142E-02 0.155E-02
DAV: 4 -0.184336967712E+04 0.12053E-05 -0.14031E-05 1128 0.412E-03
641 T= 1388. E= -.17857667E+04 F= -.18433697E+04 E0= -.18433825E+04 EK= 0.57603E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184345573626E+04 -0.86058E-01 -0.12768E-04 2230 0.431E-02 0.337E-02
DAV: 2 -0.184345577007E+04 -0.33816E-04 -0.39955E-04 2232 0.255E-02 0.497E-02
DAV: 3 -0.184345572981E+04 0.40268E-04 -0.12639E-04 1896 0.145E-02 0.175E-02
DAV: 4 -0.184345572670E+04 0.31098E-05 -0.19610E-05 1216 0.498E-03
642 T= 1390. E= -.17857667E+04 F= -.18434557E+04 E0= -.18434686E+04 EK= 0.57689E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184354177350E+04 -0.86044E-01 -0.16230E-04 2094 0.436E-02 0.335E-02
DAV: 2 -0.184354181010E+04 -0.36609E-04 -0.47101E-04 2088 0.245E-02 0.595E-02
DAV: 3 -0.184354177302E+04 0.37083E-04 -0.14523E-04 1904 0.124E-02 0.164E-02
DAV: 4 -0.184354177017E+04 0.28472E-05 -0.17792E-05 1096 0.530E-03
643 T= 1392. E= -.17857667E+04 F= -.18435418E+04 E0= -.18435547E+04 EK= 0.57775E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184362781625E+04 -0.86043E-01 -0.16685E-04 2062 0.434E-02 0.381E-02
DAV: 2 -0.184362785863E+04 -0.42379E-04 -0.51571E-04 2080 0.254E-02 0.602E-02
DAV: 3 -0.184362781905E+04 0.39579E-04 -0.17478E-04 1960 0.135E-02 0.208E-02
DAV: 4 -0.184362781575E+04 0.33066E-05 -0.18014E-05 1144 0.534E-03
644 T= 1394. E= -.17857667E+04 F= -.18436278E+04 E0= -.18436409E+04 EK= 0.57861E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184371386885E+04 -0.86050E-01 -0.19839E-04 2006 0.447E-02 0.337E-02
DAV: 2 -0.184371390474E+04 -0.35887E-04 -0.49285E-04 2080 0.276E-02 0.475E-02
DAV: 3 -0.184371387162E+04 0.33120E-04 -0.12784E-04 1896 0.145E-02 0.186E-02
DAV: 4 -0.184371386699E+04 0.46282E-05 -0.19655E-05 1168 0.544E-03
645 T= 1397. E= -.17857667E+04 F= -.18437139E+04 E0= -.18437270E+04 EK= 0.57947E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184379992605E+04 -0.86054E-01 -0.20646E-04 2056 0.443E-02 0.357E-02
DAV: 2 -0.184379995359E+04 -0.27537E-04 -0.46549E-04 2096 0.272E-02 0.436E-02
DAV: 3 -0.184379992418E+04 0.29407E-04 -0.12440E-04 1936 0.145E-02 0.197E-02
DAV: 4 -0.184379991881E+04 0.53742E-05 -0.18241E-05 1080 0.525E-03
646 T= 1399. E= -.17857667E+04 F= -.18437999E+04 E0= -.18438132E+04 EK= 0.58033E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184388597261E+04 -0.86048E-01 -0.25687E-04 1998 0.456E-02 0.391E-02
DAV: 2 -0.184388602077E+04 -0.48157E-04 -0.60873E-04 2088 0.277E-02 0.671E-02
DAV: 3 -0.184388597338E+04 0.47386E-04 -0.20168E-04 1984 0.142E-02 0.202E-02
DAV: 4 -0.184388596923E+04 0.41521E-05 -0.18634E-05 1128 0.580E-03
647 T= 1401. E= -.17857667E+04 F= -.18438860E+04 E0= -.18438993E+04 EK= 0.58119E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184397203719E+04 -0.86064E-01 -0.23290E-04 2070 0.449E-02 0.393E-02
DAV: 2 -0.184397206869E+04 -0.31502E-04 -0.56266E-04 2088 0.276E-02 0.540E-02
DAV: 3 -0.184397203391E+04 0.34781E-04 -0.15734E-04 1952 0.139E-02 0.230E-02
DAV: 4 -0.184397202797E+04 0.59418E-05 -0.20493E-05 1160 0.567E-03
648 T= 1403. E= -.17857667E+04 F= -.18439720E+04 E0= -.18439855E+04 EK= 0.58205E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184405810590E+04 -0.86072E-01 -0.28821E-04 2000 0.470E-02 0.413E-02
DAV: 2 -0.184405816423E+04 -0.58326E-04 -0.64855E-04 2200 0.326E-02 0.706E-02
DAV: 3 -0.184405809619E+04 0.68036E-04 -0.24020E-04 2016 0.183E-02 0.220E-02
DAV: 4 -0.184405809013E+04 0.60597E-05 -0.29015E-05 1384 0.616E-03
649 T= 1405. E= -.17857667E+04 F= -.18440581E+04 E0= -.18440716E+04 EK= 0.58291E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184414416742E+04 -0.86071E-01 -0.23501E-04 1998 0.467E-02 0.423E-02
DAV: 2 -0.184414421040E+04 -0.42982E-04 -0.62128E-04 2152 0.313E-02 0.592E-02
DAV: 3 -0.184414416053E+04 0.49864E-04 -0.21331E-04 2008 0.176E-02 0.247E-02
DAV: 4 -0.184414415287E+04 0.76616E-05 -0.28477E-05 1312 0.648E-03
650 T= 1407. E= -.17857667E+04 F= -.18441442E+04 E0= -.18441578E+04 EK= 0.58377E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184423022509E+04 -0.86065E-01 -0.27237E-04 1926 0.464E-02 0.397E-02
DAV: 2 -0.184423026048E+04 -0.35388E-04 -0.60763E-04 2112 0.292E-02 0.566E-02
DAV: 3 -0.184423022500E+04 0.35478E-04 -0.16613E-04 1964 0.144E-02 0.213E-02
DAV: 4 -0.184423021899E+04 0.60148E-05 -0.24288E-05 1200 0.643E-03
651 T= 1409. E= -.17857667E+04 F= -.18442302E+04 E0= -.18442439E+04 EK= 0.58464E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184431631308E+04 -0.86088E-01 -0.30489E-04 1990 0.468E-02 0.395E-02
DAV: 2 -0.184431634936E+04 -0.36281E-04 -0.55345E-04 2256 0.294E-02 0.543E-02
DAV: 3 -0.184431630443E+04 0.44928E-04 -0.15331E-04 2032 0.154E-02 0.187E-02
DAV: 4 -0.184431629872E+04 0.57050E-05 -0.18846E-05 1240 0.543E-03
652 T= 1411. E= -.17857667E+04 F= -.18443163E+04 E0= -.18443302E+04 EK= 0.58550E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184440241006E+04 -0.86106E-01 -0.38649E-04 2030 0.507E-02 0.505E-02
DAV: 2 -0.184440255054E+04 -0.14047E-03 -0.10049E-03 2264 0.383E-02 0.116E-01
DAV: 3 -0.184440238575E+04 0.16478E-03 -0.43802E-04 2120 0.228E-02 0.212E-02
DAV: 4 -0.184440238254E+04 0.32139E-05 -0.37607E-05 1568 0.711E-03
653 T= 1413. E= -.17857667E+04 F= -.18444024E+04 E0= -.18444163E+04 EK= 0.58636E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184448850695E+04 -0.86121E-01 -0.29809E-04 1958 0.483E-02 0.533E-02
DAV: 2 -0.184448862194E+04 -0.11499E-03 -0.98471E-04 2256 0.365E-02 0.108E-01
DAV: 3 -0.184448848135E+04 0.14058E-03 -0.47175E-04 2128 0.223E-02 0.263E-02
DAV: 4 -0.184448847481E+04 0.65453E-05 -0.36950E-05 1528 0.737E-03
654 T= 1415. E= -.17857667E+04 F= -.18444885E+04 E0= -.18445025E+04 EK= 0.58722E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184457458205E+04 -0.86101E-01 -0.35566E-04 1928 0.489E-02 0.378E-02
DAV: 2 -0.184457461995E+04 -0.37893E-04 -0.58079E-04 2168 0.306E-02 0.568E-02
DAV: 3 -0.184457456999E+04 0.49956E-04 -0.15573E-04 2048 0.159E-02 0.187E-02
DAV: 4 -0.184457456382E+04 0.61730E-05 -0.17583E-05 1248 0.561E-03
655 T= 1417. E= -.17857666E+04 F= -.18445746E+04 E0= -.18445886E+04 EK= 0.58808E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184466069073E+04 -0.86121E-01 -0.43872E-04 2022 0.538E-02 0.424E-02
DAV: 2 -0.184466076360E+04 -0.72869E-04 -0.68168E-04 2176 0.335E-02 0.747E-02
DAV: 3 -0.184466067622E+04 0.87374E-04 -0.24629E-04 2072 0.191E-02 0.217E-02
DAV: 4 -0.184466067014E+04 0.60871E-05 -0.30032E-05 1408 0.656E-03
656 T= 1419. E= -.17857666E+04 F= -.18446607E+04 E0= -.18446748E+04 EK= 0.58894E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184474681915E+04 -0.86143E-01 -0.43856E-04 2054 0.528E-02 0.378E-02
DAV: 2 -0.184474687035E+04 -0.51195E-04 -0.59633E-04 2088 0.306E-02 0.677E-02
DAV: 3 -0.184474680053E+04 0.69820E-04 -0.18899E-04 1984 0.168E-02 0.234E-02
DAV: 4 -0.184474679081E+04 0.97122E-05 -0.27512E-05 1336 0.709E-03
657 T= 1421. E= -.17857667E+04 F= -.18447468E+04 E0= -.18447610E+04 EK= 0.58980E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184483290866E+04 -0.86108E-01 -0.62509E-04 2022 0.533E-02 0.414E-02
DAV: 2 -0.184483297224E+04 -0.63581E-04 -0.62052E-04 2072 0.290E-02 0.814E-02
DAV: 3 -0.184483289617E+04 0.76065E-04 -0.22130E-04 2048 0.156E-02 0.195E-02
DAV: 4 -0.184483289458E+04 0.15930E-05 -0.28450E-05 1328 0.657E-03
658 T= 1424. E= -.17857666E+04 F= -.18448329E+04 E0= -.18448473E+04 EK= 0.59066E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184491908643E+04 -0.86190E-01 -0.53050E-04 2302 0.568E-02 0.423E-02
DAV: 2 -0.184491911940E+04 -0.32976E-04 -0.56080E-04 2088 0.290E-02 0.712E-02
DAV: 3 -0.184491904815E+04 0.71249E-04 -0.20067E-04 2024 0.162E-02 0.208E-02
DAV: 4 -0.184491904146E+04 0.66910E-05 -0.39348E-05 1560 0.805E-03
659 T= 1426. E= -.17857666E+04 F= -.18449190E+04 E0= -.18449334E+04 EK= 0.59152E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184500523935E+04 -0.86191E-01 -0.36600E-04 2312 0.507E-02 0.431E-02
DAV: 2 -0.184500528540E+04 -0.46053E-04 -0.53930E-04 2168 0.302E-02 0.818E-02
DAV: 3 -0.184500519497E+04 0.90434E-04 -0.26452E-04 2008 0.185E-02 0.219E-02
DAV: 4 -0.184500518607E+04 0.88984E-05 -0.48538E-05 1616 0.869E-03
660 T= 1428. E= -.17857666E+04 F= -.18450052E+04 E0= -.18450198E+04 EK= 0.59239E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184509135094E+04 -0.86156E-01 -0.26735E-04 2270 0.516E-02 0.359E-02
DAV: 2 -0.184509137569E+04 -0.24750E-04 -0.34828E-04 2032 0.256E-02 0.588E-02
DAV: 3 -0.184509132581E+04 0.49883E-04 -0.15917E-04 1960 0.154E-02 0.198E-02
DAV: 4 -0.184509132244E+04 0.33703E-05 -0.43549E-05 1576 0.744E-03
661 T= 1430. E= -.17857666E+04 F= -.18450913E+04 E0= -.18451059E+04 EK= 0.59325E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184517756139E+04 -0.86236E-01 -0.24856E-04 2112 0.536E-02 0.359E-02
DAV: 2 -0.184517755283E+04 0.85594E-05 -0.31187E-04 1968 0.227E-02 0.560E-02
DAV: 3 -0.184517751580E+04 0.37025E-04 -0.13308E-04 1944 0.125E-02 0.184E-02
DAV: 4 -0.184517750375E+04 0.12051E-04 -0.44686E-05 1584 0.925E-03 0.186E-02
DAV: 5 -0.184517749237E+04 0.11384E-04 -0.19548E-05 1128 0.681E-03 0.101E-02
DAV: 6 -0.184517748426E+04 0.81121E-05 -0.73379E-06 1136 0.452E-03
662 T= 1432. E= -.17857666E+04 F= -.18451775E+04 E0= -.18451922E+04 EK= 0.59411E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184526368494E+04 -0.86193E-01 -0.97088E-05 1902 0.476E-02 0.299E-02
DAV: 2 -0.184526369668E+04 -0.11746E-04 -0.19828E-04 1904 0.148E-02 0.460E-02
DAV: 3 -0.184526367626E+04 0.20420E-04 -0.74283E-05 1360 0.825E-03 0.174E-02
DAV: 4 -0.184526366819E+04 0.80747E-05 -0.13417E-05 1128 0.563E-03
663 T= 1434. E= -.17857666E+04 F= -.18452637E+04 E0= -.18452784E+04 EK= 0.59497E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184534989705E+04 -0.86221E-01 -0.29640E-04 1934 0.440E-02 0.310E-02
DAV: 2 -0.184534990729E+04 -0.10240E-04 -0.31085E-04 2008 0.219E-02 0.448E-02