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= 297. E= -.17857913E+04 F= -.17981334E+04 E0= -.17981093E+04 EK= 0.12342E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179811571665E+04 0.17737E-01 -0.58801E-01 1672 0.976E-01 0.384E-01
DAV: 2 -0.179811709624E+04 -0.13796E-02 -0.17331E-02 1952 0.149E-01 0.188E-01
DAV: 3 -0.179811737803E+04 -0.28178E-03 -0.31543E-03 2136 0.629E-02 0.328E-01
DAV: 4 -0.179811683721E+04 0.54082E-03 -0.13859E-03 2128 0.398E-02 0.178E-01
DAV: 5 -0.179811677534E+04 0.61874E-04 -0.79439E-04 2080 0.245E-02 0.933E-02
DAV: 6 -0.179811676311E+04 0.12223E-04 -0.27588E-04 1992 0.209E-02 0.618E-02
DAV: 7 -0.179811674338E+04 0.19737E-04 -0.14518E-04 1752 0.129E-02 0.432E-02
DAV: 8 -0.179811673687E+04 0.65074E-05 -0.52756E-05 1336 0.768E-03
2 T= 297. E= -.17857913E+04 F= -.17981167E+04 E0= -.17980924E+04 EK= 0.12325E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179813492429E+04 -0.18181E-01 -0.64455E-04 1648 0.180E-01 0.628E-02
DAV: 2 -0.179813524777E+04 -0.32348E-03 -0.17138E-03 1928 0.463E-02 0.213E-01
DAV: 3 -0.179813500985E+04 0.23792E-03 -0.49877E-04 1952 0.208E-02 0.452E-02
DAV: 4 -0.179813501480E+04 -0.49527E-05 -0.78080E-05 1504 0.820E-03
3 T= 297. E= -.17857913E+04 F= -.17981350E+04 E0= -.17981106E+04 EK= 0.12344E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179818835627E+04 -0.53346E-01 -0.68903E-05 1360 0.176E-01 0.536E-02
DAV: 2 -0.179818850115E+04 -0.14488E-03 -0.60135E-04 2016 0.277E-02 0.175E-01
DAV: 3 -0.179818836022E+04 0.14093E-03 -0.19220E-04 1928 0.150E-02 0.452E-02
DAV: 4 -0.179818835944E+04 0.77605E-06 -0.50386E-05 1496 0.836E-03
4 T= 299. E= -.17857912E+04 F= -.17981884E+04 E0= -.17981639E+04 EK= 0.12397E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179827679557E+04 -0.88435E-01 -0.23670E-04 2104 0.177E-01 0.878E-02
DAV: 2 -0.179827717146E+04 -0.37589E-03 -0.18905E-03 2048 0.406E-02 0.237E-01
DAV: 3 -0.179827681190E+04 0.35956E-03 -0.89859E-04 2128 0.281E-02 0.740E-02
DAV: 4 -0.179827680975E+04 0.21453E-05 -0.11340E-04 1736 0.103E-02 0.479E-02
DAV: 5 -0.179827680485E+04 0.49049E-05 -0.23387E-05 1088 0.582E-03
5 T= 301. E= -.17857912E+04 F= -.17982768E+04 E0= -.17982522E+04 EK= 0.12486E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179840036826E+04 -0.12356E+00 -0.31763E-04 2270 0.177E-01 0.121E-01
DAV: 2 -0.179840126578E+04 -0.89752E-03 -0.28071E-03 2304 0.533E-02 0.351E-01
DAV: 3 -0.179840035840E+04 0.90739E-03 -0.16323E-03 2332 0.410E-02 0.136E-01
DAV: 4 -0.179840034953E+04 0.88664E-05 -0.25144E-04 1848 0.131E-02 0.456E-02
DAV: 5 -0.179840034565E+04 0.38791E-05 -0.51599E-05 1664 0.834E-03
6 T= 304. E= -.17857912E+04 F= -.17984003E+04 E0= -.17983757E+04 EK= 0.12609E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179855891709E+04 -0.15857E+00 -0.17888E-04 2452 0.181E-01 0.650E-02
DAV: 2 -0.179855924388E+04 -0.32680E-03 -0.11608E-03 2048 0.408E-02 0.211E-01
DAV: 3 -0.179855893550E+04 0.30838E-03 -0.51681E-04 2080 0.262E-02 0.756E-02
DAV: 4 -0.179855891992E+04 0.15580E-04 -0.92819E-05 1736 0.951E-03 0.206E-02
DAV: 5 -0.179855891855E+04 0.13738E-05 -0.17183E-05 1088 0.532E-03
7 T= 308. E= -.17857913E+04 F= -.17985589E+04 E0= -.17985343E+04 EK= 0.12768E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179875241264E+04 -0.19349E+00 -0.31870E-04 2556 0.181E-01 0.669E-02
DAV: 2 -0.179875258682E+04 -0.17418E-03 -0.13534E-03 2072 0.363E-02 0.151E-01
DAV: 3 -0.179875243377E+04 0.15305E-03 -0.54762E-04 2014 0.214E-02 0.413E-02
DAV: 4 -0.179875243205E+04 0.17209E-05 -0.50552E-05 1616 0.710E-03
8 T= 312. E= -.17857913E+04 F= -.17987524E+04 E0= -.17987277E+04 EK= 0.12961E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179898068886E+04 -0.22826E+00 -0.18441E-04 2358 0.183E-01 0.637E-02
DAV: 2 -0.179898088701E+04 -0.19815E-03 -0.14700E-03 1968 0.386E-02 0.204E-01
DAV: 3 -0.179898074075E+04 0.14626E-03 -0.38503E-04 1992 0.193E-02 0.500E-02
DAV: 4 -0.179898072525E+04 0.15498E-04 -0.63632E-05 1696 0.108E-02 0.206E-02
DAV: 5 -0.179898072364E+04 0.16114E-05 -0.25690E-05 1128 0.613E-03
9 T= 318. E= -.17857913E+04 F= -.17989807E+04 E0= -.17989559E+04 EK= 0.13189E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179924357019E+04 -0.26284E+00 -0.32748E-04 2830 0.185E-01 0.752E-02
DAV: 2 -0.179924382064E+04 -0.25045E-03 -0.15524E-03 1960 0.397E-02 0.261E-01
DAV: 3 -0.179924361923E+04 0.20141E-03 -0.61094E-04 2014 0.224E-02 0.480E-02
DAV: 4 -0.179924360928E+04 0.99478E-05 -0.66078E-05 1752 0.102E-02
10 T= 324. E= -.17857913E+04 F= -.17992436E+04 E0= -.17992189E+04 EK= 0.13452E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179954078346E+04 -0.29716E+00 -0.30560E-04 2790 0.189E-01 0.575E-02
DAV: 2 -0.179954088417E+04 -0.10071E-03 -0.15894E-03 1896 0.433E-02 0.829E-02
DAV: 3 -0.179954085790E+04 0.26269E-04 -0.18978E-04 1968 0.168E-02 0.752E-02
DAV: 4 -0.179954083913E+04 0.18772E-04 -0.72191E-05 1656 0.971E-03 0.188E-02
DAV: 5 -0.179954084009E+04 -0.96083E-06 -0.24957E-05 1088 0.593E-03
11 T= 331. E= -.17857913E+04 F= -.17995408E+04 E0= -.17995161E+04 EK= 0.13750E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.179987208805E+04 -0.33125E+00 -0.39788E-04 2878 0.191E-01 0.561E-02
DAV: 2 -0.179987221208E+04 -0.12404E-03 -0.15223E-03 1920 0.407E-02 0.128E-01
DAV: 3 -0.179987215656E+04 0.55526E-04 -0.25908E-04 1960 0.162E-02 0.567E-02
DAV: 4 -0.179987213976E+04 0.16797E-04 -0.65340E-05 1696 0.100E-02 0.225E-02
DAV: 5 -0.179987213756E+04 0.22003E-05 -0.14580E-05 1000 0.468E-03
12 T= 339. E= -.17857913E+04 F= -.17998721E+04 E0= -.17998475E+04 EK= 0.14081E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180023711668E+04 -0.36498E+00 -0.34821E-04 2680 0.195E-01 0.614E-02
DAV: 2 -0.180023730180E+04 -0.18512E-03 -0.15829E-03 1936 0.400E-02 0.161E-01
DAV: 3 -0.180023718942E+04 0.11237E-03 -0.40260E-04 1958 0.192E-02 0.672E-02
DAV: 4 -0.180023716891E+04 0.20517E-04 -0.68810E-05 1688 0.104E-02 0.259E-02
DAV: 5 -0.180023716690E+04 0.20084E-05 -0.16644E-05 1024 0.497E-03
13 T= 348. E= -.17857913E+04 F= -.18002372E+04 E0= -.18002126E+04 EK= 0.14446E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180063548738E+04 -0.39832E+00 -0.50900E-04 2822 0.198E-01 0.441E-02
DAV: 2 -0.180063560567E+04 -0.11829E-03 -0.14395E-03 1936 0.376E-02 0.743E-02
DAV: 3 -0.180063555947E+04 0.46206E-04 -0.24353E-04 1950 0.168E-02 0.618E-02
DAV: 4 -0.180063554084E+04 0.18631E-04 -0.51555E-05 1440 0.825E-03 0.202E-02
DAV: 5 -0.180063553923E+04 0.16106E-05 -0.14934E-05 974 0.441E-03
14 T= 358. E= -.17857913E+04 F= -.18006355E+04 E0= -.18006110E+04 EK= 0.14844E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180106678054E+04 -0.43124E+00 -0.39955E-04 2686 0.201E-01 0.621E-02
DAV: 2 -0.180106696676E+04 -0.18622E-03 -0.18597E-03 1928 0.438E-02 0.159E-01
DAV: 3 -0.180106685250E+04 0.11426E-03 -0.42463E-04 1990 0.217E-02 0.792E-02
DAV: 4 -0.180106682334E+04 0.29154E-04 -0.10710E-04 1744 0.111E-02 0.267E-02
DAV: 5 -0.180106682148E+04 0.18643E-05 -0.24245E-05 1032 0.540E-03
15 T= 368. E= -.17857913E+04 F= -.18010668E+04 E0= -.18010423E+04 EK= 0.15275E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180153049115E+04 -0.46367E+00 -0.48833E-04 2758 0.204E-01 0.597E-02
DAV: 2 -0.180153064992E+04 -0.15877E-03 -0.18035E-03 1944 0.450E-02 0.122E-01
DAV: 3 -0.180153055681E+04 0.93107E-04 -0.42941E-04 1992 0.216E-02 0.799E-02
DAV: 4 -0.180153052710E+04 0.29708E-04 -0.94622E-05 1760 0.108E-02 0.268E-02
DAV: 5 -0.180153052403E+04 0.30714E-05 -0.22967E-05 1000 0.546E-03
16 T= 379. E= -.17857914E+04 F= -.18015305E+04 E0= -.18015060E+04 EK= 0.15739E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180202607481E+04 -0.49555E+00 -0.31812E-04 2606 0.208E-01 0.720E-02
DAV: 2 -0.180202625869E+04 -0.18389E-03 -0.20089E-03 1984 0.491E-02 0.149E-01
DAV: 3 -0.180202614536E+04 0.11333E-03 -0.60632E-04 2022 0.249E-02 0.100E-01
DAV: 4 -0.180202610592E+04 0.39441E-04 -0.11599E-04 1832 0.123E-02 0.346E-02
DAV: 5 -0.180202610175E+04 0.41697E-05 -0.26191E-05 1104 0.571E-03
17 T= 391. E= -.17857914E+04 F= -.18020261E+04 E0= -.18020016E+04 EK= 0.16235E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180255290787E+04 -0.52680E+00 -0.49244E-04 2710 0.212E-01 0.604E-02
DAV: 2 -0.180255303544E+04 -0.12757E-03 -0.20027E-03 1976 0.460E-02 0.112E-01
DAV: 3 -0.180255297460E+04 0.60835E-04 -0.47918E-04 2008 0.214E-02 0.822E-02
DAV: 4 -0.180255294078E+04 0.33822E-04 -0.10743E-04 1720 0.117E-02 0.229E-02
DAV: 5 -0.180255293867E+04 0.21082E-05 -0.33210E-05 1056 0.600E-03
18 T= 404. E= -.17857914E+04 F= -.18025529E+04 E0= -.18025285E+04 EK= 0.16762E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180311034673E+04 -0.55741E+00 -0.19031E-04 2198 0.216E-01 0.660E-02
DAV: 2 -0.180311051592E+04 -0.16919E-03 -0.22452E-03 2056 0.482E-02 0.137E-01
DAV: 3 -0.180311041456E+04 0.10135E-03 -0.55715E-04 2046 0.236E-02 0.877E-02
DAV: 4 -0.180311037764E+04 0.36922E-04 -0.13551E-04 1752 0.124E-02 0.286E-02
DAV: 5 -0.180311037491E+04 0.27344E-05 -0.31979E-05 1136 0.599E-03
19 T= 417. E= -.17857914E+04 F= -.18031104E+04 E0= -.18030860E+04 EK= 0.17319E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180369764395E+04 -0.58727E+00 -0.39551E-04 2640 0.220E-01 0.589E-02
DAV: 2 -0.180369773421E+04 -0.90267E-04 -0.17221E-03 2008 0.449E-02 0.725E-02
DAV: 3 -0.180369769978E+04 0.34434E-04 -0.39480E-04 2000 0.206E-02 0.695E-02
DAV: 4 -0.180369767356E+04 0.26221E-04 -0.72527E-05 1720 0.901E-03 0.235E-02
DAV: 5 -0.180369767144E+04 0.21161E-05 -0.17774E-05 992 0.469E-03
20 T= 432. E= -.17857915E+04 F= -.18036977E+04 E0= -.18036734E+04 EK= 0.17906E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180431399588E+04 -0.61632E+00 -0.19986E-04 2318 0.224E-01 0.593E-02
DAV: 2 -0.180431407831E+04 -0.82427E-04 -0.18878E-03 1952 0.453E-02 0.561E-02
DAV: 3 -0.180431403610E+04 0.42204E-04 -0.36060E-04 2000 0.202E-02 0.436E-02
DAV: 4 -0.180431402820E+04 0.79061E-05 -0.65317E-05 1624 0.852E-03
21 T= 446. E= -.17857915E+04 F= -.18043140E+04 E0= -.18042897E+04 EK= 0.18523E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180495855739E+04 -0.64452E+00 -0.32487E-04 2350 0.228E-01 0.649E-02
DAV: 2 -0.180495861318E+04 -0.55788E-04 -0.18226E-03 1928 0.478E-02 0.543E-02
DAV: 3 -0.180495859832E+04 0.14860E-04 -0.40935E-04 1966 0.207E-02 0.744E-02
DAV: 4 -0.180495857148E+04 0.26833E-04 -0.77151E-05 1712 0.942E-03 0.184E-02
DAV: 5 -0.180495856998E+04 0.15016E-05 -0.23035E-05 974 0.475E-03
22 T= 462. E= -.17857915E+04 F= -.18049586E+04 E0= -.18049340E+04 EK= 0.19167E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180563033895E+04 -0.67177E+00 -0.17263E-04 2158 0.233E-01 0.628E-02
DAV: 2 -0.180563043549E+04 -0.96533E-04 -0.17498E-03 1928 0.471E-02 0.939E-02
DAV: 3 -0.180563040201E+04 0.33474E-04 -0.38309E-04 2000 0.213E-02 0.809E-02
DAV: 4 -0.180563036556E+04 0.36449E-04 -0.10559E-04 1816 0.113E-02 0.231E-02
DAV: 5 -0.180563036407E+04 0.14987E-05 -0.27729E-05 1032 0.576E-03
23 T= 478. E= -.17857915E+04 F= -.18056304E+04 E0= -.18056053E+04 EK= 0.19839E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180632838948E+04 -0.69802E+00 -0.31368E-04 2654 0.238E-01 0.640E-02
DAV: 2 -0.180632854595E+04 -0.15647E-03 -0.16890E-03 1968 0.429E-02 0.117E-01
DAV: 3 -0.180632845154E+04 0.94409E-04 -0.47169E-04 1998 0.221E-02 0.730E-02
DAV: 4 -0.180632842586E+04 0.25680E-04 -0.79622E-05 1752 0.954E-03 0.320E-02
DAV: 5 -0.180632842231E+04 0.35504E-05 -0.18538E-05 984 0.510E-03
24 T= 495. E= -.17857916E+04 F= -.18063284E+04 E0= -.18063027E+04 EK= 0.20537E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180705161429E+04 -0.72319E+00 -0.30373E-04 2686 0.243E-01 0.515E-02
DAV: 2 -0.180705174290E+04 -0.12861E-03 -0.21783E-03 1960 0.445E-02 0.721E-02
DAV: 3 -0.180705167582E+04 0.67074E-04 -0.48955E-04 1960 0.206E-02 0.601E-02
DAV: 4 -0.180705165746E+04 0.18368E-04 -0.70719E-05 1704 0.916E-03 0.222E-02
DAV: 5 -0.180705165427E+04 0.31857E-05 -0.15004E-05 1000 0.441E-03
25 T= 512. E= -.17857917E+04 F= -.18070517E+04 E0= -.18070257E+04 EK= 0.21260E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180779885361E+04 -0.74720E+00 -0.53315E-04 2750 0.245E-01 0.578E-02
DAV: 2 -0.180779897371E+04 -0.12009E-03 -0.21639E-03 1920 0.464E-02 0.678E-02
DAV: 3 -0.180779891241E+04 0.61298E-04 -0.46695E-04 1960 0.210E-02 0.484E-02
DAV: 4 -0.180779890096E+04 0.11453E-04 -0.75618E-05 1736 0.965E-03 0.262E-02
DAV: 5 -0.180779889761E+04 0.33465E-05 -0.16781E-05 984 0.462E-03
26 T= 530. E= -.17857917E+04 F= -.18077989E+04 E0= -.18077731E+04 EK= 0.22007E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180856888929E+04 -0.76999E+00 -0.44334E-04 2726 0.251E-01 0.519E-02
DAV: 2 -0.180856903088E+04 -0.14159E-03 -0.18682E-03 1912 0.435E-02 0.804E-02
DAV: 3 -0.180856897952E+04 0.51363E-04 -0.21948E-04 1966 0.179E-02 0.408E-02
DAV: 4 -0.180856896830E+04 0.11217E-04 -0.60310E-05 1640 0.861E-03 0.199E-02
DAV: 5 -0.180856896645E+04 0.18518E-05 -0.11268E-05 992 0.408E-03
27 T= 549. E= -.17857918E+04 F= -.18085690E+04 E0= -.18085438E+04 EK= 0.22777E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.180936055848E+04 -0.79159E+00 -0.56320E-04 2758 0.256E-01 0.588E-02
DAV: 2 -0.180936067399E+04 -0.11551E-03 -0.18740E-03 1912 0.448E-02 0.772E-02
DAV: 3 -0.180936062466E+04 0.49329E-04 -0.30271E-04 1960 0.198E-02 0.626E-02
DAV: 4 -0.180936060941E+04 0.15252E-04 -0.67410E-05 1664 0.891E-03 0.248E-02
DAV: 5 -0.180936060634E+04 0.30718E-05 -0.10183E-05 1000 0.398E-03
28 T= 568. E= -.17857918E+04 F= -.18093606E+04 E0= -.18093360E+04 EK= 0.23569E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181017240397E+04 -0.81179E+00 -0.49105E-04 2758 0.259E-01 0.683E-02
DAV: 2 -0.181017265706E+04 -0.25309E-03 -0.28181E-03 1960 0.507E-02 0.146E-01
DAV: 3 -0.181017248958E+04 0.16748E-03 -0.80094E-04 1998 0.262E-02 0.779E-02
DAV: 4 -0.181017245855E+04 0.31026E-04 -0.10821E-04 1784 0.116E-02 0.307E-02
DAV: 5 -0.181017245237E+04 0.61805E-05 -0.29803E-05 1152 0.647E-03
29 T= 588. E= -.17857919E+04 F= -.18101725E+04 E0= -.18101479E+04 EK= 0.24381E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181100306148E+04 -0.83060E+00 -0.89208E-04 2886 0.264E-01 0.709E-02
DAV: 2 -0.181100329151E+04 -0.23002E-03 -0.30219E-03 1936 0.530E-02 0.116E-01
DAV: 3 -0.181100317119E+04 0.12031E-03 -0.85936E-04 1982 0.261E-02 0.732E-02
DAV: 4 -0.181100313743E+04 0.33757E-04 -0.11022E-04 1816 0.117E-02 0.336E-02
DAV: 5 -0.181100313492E+04 0.25171E-05 -0.19734E-05 1040 0.498E-03
30 T= 608. E= -.17857919E+04 F= -.18110031E+04 E0= -.18109785E+04 EK= 0.25211E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181185122288E+04 -0.84809E+00 -0.91937E-04 2870 0.271E-01 0.851E-02
DAV: 2 -0.181185142957E+04 -0.20669E-03 -0.32343E-03 1928 0.601E-02 0.149E-01
DAV: 3 -0.181185132899E+04 0.10058E-03 -0.78295E-04 1984 0.277E-02 0.941E-02
DAV: 4 -0.181185128940E+04 0.39588E-04 -0.15937E-04 1888 0.136E-02 0.274E-02
DAV: 5 -0.181185128571E+04 0.36906E-05 -0.33427E-05 1272 0.649E-03
31 T= 628. E= -.17857920E+04 F= -.18118513E+04 E0= -.18118263E+04 EK= 0.26059E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181271545781E+04 -0.86417E+00 -0.76938E-04 2848 0.275E-01 0.955E-02
DAV: 2 -0.181271566973E+04 -0.21192E-03 -0.31907E-03 1936 0.599E-02 0.188E-01
DAV: 3 -0.181271552987E+04 0.13985E-03 -0.12015E-03 1974 0.317E-02 0.112E-01
DAV: 4 -0.181271546710E+04 0.62768E-04 -0.18036E-04 1944 0.159E-02 0.365E-02
DAV: 5 -0.181271546216E+04 0.49484E-05 -0.46506E-05 1580 0.778E-03
32 T= 649. E= -.17857921E+04 F= -.18127155E+04 E0= -.18126905E+04 EK= 0.26923E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181359410132E+04 -0.87863E+00 -0.58254E-04 2720 0.277E-01 0.795E-02
DAV: 2 -0.181359441726E+04 -0.31594E-03 -0.31650E-03 1952 0.561E-02 0.181E-01
DAV: 3 -0.181359416514E+04 0.25212E-03 -0.11365E-03 2000 0.315E-02 0.868E-02
DAV: 4 -0.181359413134E+04 0.33800E-04 -0.15536E-04 1856 0.128E-02 0.354E-02
DAV: 5 -0.181359412316E+04 0.81846E-05 -0.42155E-05 1432 0.716E-03
33 T= 670. E= -.17857921E+04 F= -.18135941E+04 E0= -.18135696E+04 EK= 0.27802E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181448578071E+04 -0.89165E+00 -0.66040E-04 2790 0.284E-01 0.617E-02
DAV: 2 -0.181448595746E+04 -0.17675E-03 -0.22578E-03 1976 0.481E-02 0.111E-01
DAV: 3 -0.181448585672E+04 0.10074E-03 -0.66504E-04 1976 0.242E-02 0.661E-02
DAV: 4 -0.181448582815E+04 0.28575E-04 -0.10247E-04 1792 0.111E-02 0.286E-02
DAV: 5 -0.181448582527E+04 0.28790E-05 -0.21380E-05 1040 0.527E-03
34 T= 692. E= -.17857921E+04 F= -.18144858E+04 E0= -.18144623E+04 EK= 0.28694E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181538911583E+04 -0.90329E+00 -0.48008E-04 2742 0.294E-01 0.936E-02
DAV: 2 -0.181538935967E+04 -0.24384E-03 -0.29698E-03 1944 0.562E-02 0.190E-01
DAV: 3 -0.181538919654E+04 0.16314E-03 -0.98563E-04 1974 0.293E-02 0.909E-02
DAV: 4 -0.181538915804E+04 0.38495E-04 -0.14007E-04 1880 0.130E-02 0.350E-02
DAV: 5 -0.181538915331E+04 0.47298E-05 -0.28684E-05 1224 0.635E-03
35 T= 713. E= -.17857922E+04 F= -.18153892E+04 E0= -.18153667E+04 EK= 0.29597E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181630260002E+04 -0.91344E+00 -0.82962E-04 2846 0.295E-01 0.915E-02
DAV: 2 -0.181630283502E+04 -0.23500E-03 -0.31154E-03 1960 0.592E-02 0.178E-01
DAV: 3 -0.181630266833E+04 0.16669E-03 -0.12300E-03 1984 0.327E-02 0.109E-01
DAV: 4 -0.181630260944E+04 0.58884E-04 -0.16229E-04 1920 0.144E-02 0.430E-02
DAV: 5 -0.181630259867E+04 0.10776E-04 -0.45293E-05 1640 0.792E-03 0.338E-02
DAV: 6 -0.181630256721E+04 0.31455E-04 -0.51973E-05 1552 0.118E-02 0.162E-02
DAV: 7 -0.181630254880E+04 0.18406E-04 -0.57809E-05 1728 0.111E-02 0.200E-02
DAV: 8 -0.181630253567E+04 0.13139E-04 -0.30452E-05 1496 0.903E-03 0.150E-02
DAV: 9 -0.181630252114E+04 0.14527E-04 -0.16220E-05 1328 0.101E-02 0.132E-02
DAV: 10 -0.181630250994E+04 0.11200E-04 -0.53116E-05 1728 0.137E-02 0.101E-02
DAV: 11 -0.181630251115E+04 -0.12110E-05 -0.52301E-05 1648 0.812E-03
36 T= 735. E= -.17857922E+04 F= -.18163025E+04 E0= -.18162800E+04 EK= 0.30510E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181722473107E+04 -0.92222E+00 -0.38694E-04 2486 0.310E-01 0.738E-02
DAV: 2 -0.181722481357E+04 -0.82505E-04 -0.19224E-03 2016 0.485E-02 0.119E-01
DAV: 3 -0.181722472454E+04 0.89032E-04 -0.71701E-04 1990 0.268E-02 0.904E-02
DAV: 4 -0.181722467405E+04 0.50494E-04 -0.12967E-04 1824 0.136E-02 0.371E-02
DAV: 5 -0.181722465058E+04 0.23469E-04 -0.76527E-05 1776 0.107E-02 0.356E-02
DAV: 6 -0.181722460834E+04 0.42236E-04 -0.74420E-05 1712 0.161E-02 0.261E-02
DAV: 7 -0.181722458817E+04 0.20167E-04 -0.68648E-05 1888 0.115E-02 0.159E-02
DAV: 8 -0.181722457042E+04 0.17753E-04 -0.17598E-05 1272 0.115E-02 0.107E-02
DAV: 9 -0.181722456053E+04 0.98889E-05 -0.52617E-05 1736 0.126E-02
37 T= 758. E= -.17857923E+04 F= -.18172246E+04 E0= -.18172023E+04 EK= 0.31432E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181815382173E+04 -0.92925E+00 -0.25810E-04 1702 0.300E-01 0.587E-02
DAV: 2 -0.181815389031E+04 -0.68576E-04 -0.83390E-04 2216 0.293E-02 0.107E-01
DAV: 3 -0.181815383832E+04 0.51993E-04 -0.28670E-04 1926 0.148E-02 0.573E-02
DAV: 4 -0.181815383294E+04 0.53785E-05 -0.24823E-05 1160 0.541E-03
38 T= 780. E= -.17857923E+04 F= -.18181538E+04 E0= -.18181322E+04 EK= 0.32362E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.181908898782E+04 -0.93515E+00 -0.49093E-04 2374 0.303E-01 0.119E-01
DAV: 2 -0.181908944753E+04 -0.45971E-03 -0.37021E-03 2264 0.576E-02 0.290E-01
DAV: 3 -0.181908895071E+04 0.49682E-03 -0.20437E-03 2184 0.384E-02 0.596E-02
DAV: 4 -0.181908896249E+04 -0.11782E-04 -0.21137E-04 1952 0.126E-02 0.413E-02
DAV: 5 -0.181908895244E+04 0.10046E-04 -0.44624E-05 1248 0.670E-03 0.136E-02
DAV: 6 -0.181908895188E+04 0.56787E-06 -0.15720E-05 1000 0.407E-03
39 T= 802. E= -.17857923E+04 F= -.18190890E+04 E0= -.18190680E+04 EK= 0.33297E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182002866598E+04 -0.93971E+00 -0.53869E-04 1924 0.308E-01 0.137E-01
DAV: 2 -0.182002912376E+04 -0.45778E-03 -0.35554E-03 2344 0.537E-02 0.290E-01
DAV: 3 -0.182002862391E+04 0.49985E-03 -0.19027E-03 2344 0.375E-02 0.556E-02
DAV: 4 -0.182002864903E+04 -0.25121E-04 -0.24528E-04 1952 0.142E-02 0.647E-02
DAV: 5 -0.182002862247E+04 0.26559E-04 -0.10661E-04 1680 0.102E-02 0.167E-02
DAV: 6 -0.182002862097E+04 0.14995E-05 -0.29409E-05 1096 0.619E-03
40 T= 825. E= -.17857924E+04 F= -.18200286E+04 E0= -.18200087E+04 EK= 0.34236E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182097155899E+04 -0.94294E+00 -0.28548E-04 1966 0.311E-01 0.595E-02
DAV: 2 -0.182097169204E+04 -0.13305E-03 -0.11971E-03 2144 0.278E-02 0.127E-01
DAV: 3 -0.182097157911E+04 0.11292E-03 -0.51054E-04 1912 0.178E-02 0.248E-02
DAV: 4 -0.182097157914E+04 -0.24505E-07 -0.34813E-05 1272 0.630E-03
41 T= 848. E= -.17857924E+04 F= -.18209716E+04 E0= -.18209522E+04 EK= 0.35179E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182191662108E+04 -0.94504E+00 -0.22978E-04 1830 0.313E-01 0.347E-02
DAV: 2 -0.182191668211E+04 -0.61025E-04 -0.67271E-04 2056 0.199E-02 0.694E-02
DAV: 3 -0.182191665987E+04 0.22241E-04 -0.13724E-04 1536 0.949E-03 0.228E-02
DAV: 4 -0.182191665659E+04 0.32813E-05 -0.25919E-05 1160 0.627E-03
42 T= 871. E= -.17857924E+04 F= -.18219167E+04 E0= -.18218976E+04 EK= 0.36124E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182286276153E+04 -0.94610E+00 -0.27650E-04 1652 0.318E-01 0.367E-02
DAV: 2 -0.182286285669E+04 -0.95162E-04 -0.10665E-03 2008 0.284E-02 0.606E-02
DAV: 3 -0.182286281243E+04 0.44262E-04 -0.22653E-04 1912 0.144E-02 0.260E-02
DAV: 4 -0.182286280822E+04 0.42146E-05 -0.40202E-05 1528 0.680E-03
43 T= 893. E= -.17857924E+04 F= -.18228628E+04 E0= -.18228439E+04 EK= 0.37070E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182380904106E+04 -0.94623E+00 -0.30339E-04 2350 0.322E-01 0.514E-02
DAV: 2 -0.182380916064E+04 -0.11959E-03 -0.17490E-03 1968 0.386E-02 0.965E-02
DAV: 3 -0.182380907483E+04 0.85813E-04 -0.55267E-04 1976 0.188E-02 0.301E-02
DAV: 4 -0.182380906490E+04 0.99333E-05 -0.58911E-05 1672 0.870E-03
44 T= 916. E= -.17857925E+04 F= -.18238091E+04 E0= -.18237903E+04 EK= 0.38017E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182475446543E+04 -0.94539E+00 -0.38291E-04 2566 0.325E-01 0.649E-02
DAV: 2 -0.182475463643E+04 -0.17100E-03 -0.25154E-03 1976 0.530E-02 0.914E-02
DAV: 3 -0.182475451486E+04 0.12158E-03 -0.77500E-04 2032 0.281E-02 0.468E-02
DAV: 4 -0.182475449814E+04 0.16720E-04 -0.10604E-04 1808 0.110E-02 0.261E-02
DAV: 5 -0.182475449260E+04 0.55337E-05 -0.25286E-05 1160 0.553E-03
45 T= 939. E= -.17857925E+04 F= -.18247545E+04 E0= -.18247363E+04 EK= 0.38962E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182569821444E+04 -0.94372E+00 -0.44877E-04 2910 0.331E-01 0.626E-02
DAV: 2 -0.182569843548E+04 -0.22104E-03 -0.22757E-03 1984 0.496E-02 0.131E-01
DAV: 3 -0.182569830777E+04 0.12771E-03 -0.64672E-04 2054 0.260E-02 0.536E-02
DAV: 4 -0.182569829172E+04 0.16051E-04 -0.96525E-05 1808 0.106E-02 0.227E-02
DAV: 5 -0.182569828959E+04 0.21248E-05 -0.17780E-05 1072 0.477E-03
46 T= 962. E= -.17857924E+04 F= -.18256983E+04 E0= -.18256812E+04 EK= 0.39906E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182663979159E+04 -0.94150E+00 -0.48332E-04 2758 0.338E-01 0.673E-02
DAV: 2 -0.182664001071E+04 -0.21913E-03 -0.25599E-03 1920 0.521E-02 0.135E-01
DAV: 3 -0.182663989848E+04 0.11223E-03 -0.61857E-04 1960 0.265E-02 0.689E-02
DAV: 4 -0.182663986655E+04 0.31936E-04 -0.11938E-04 1808 0.126E-02 0.266E-02
DAV: 5 -0.182663986144E+04 0.51097E-05 -0.30792E-05 1288 0.668E-03
47 T= 984. E= -.17857925E+04 F= -.18266399E+04 E0= -.18266239E+04 EK= 0.40847E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182757847435E+04 -0.93861E+00 -0.87171E-04 2878 0.338E-01 0.564E-02
DAV: 2 -0.182757863853E+04 -0.16419E-03 -0.23340E-03 1928 0.464E-02 0.717E-02
DAV: 3 -0.182757858134E+04 0.57192E-04 -0.28702E-04 2000 0.202E-02 0.492E-02
DAV: 4 -0.182757856577E+04 0.15573E-04 -0.69134E-05 1680 0.888E-03 0.246E-02
DAV: 5 -0.182757855701E+04 0.87615E-05 -0.15537E-05 1056 0.546E-03
48 T= 1007. E= -.17857925E+04 F= -.18275786E+04 E0= -.18275636E+04 EK= 0.41786E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182851367008E+04 -0.93510E+00 -0.10969E-03 2886 0.341E-01 0.463E-02
DAV: 2 -0.182851392110E+04 -0.25102E-03 -0.29498E-03 1920 0.492E-02 0.794E-02
DAV: 3 -0.182851384788E+04 0.73227E-04 -0.32386E-04 1936 0.195E-02 0.514E-02
DAV: 4 -0.182851383198E+04 0.15899E-04 -0.65691E-05 1672 0.910E-03 0.300E-02
DAV: 5 -0.182851382391E+04 0.80687E-05 -0.20556E-05 1088 0.579E-03
49 T= 1030. E= -.17857924E+04 F= -.18285138E+04 E0= -.18284989E+04 EK= 0.42721E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.182944522479E+04 -0.93139E+00 -0.35886E-04 2902 0.348E-01 0.579E-02
DAV: 2 -0.182944547429E+04 -0.24950E-03 -0.32190E-03 1912 0.561E-02 0.736E-02
DAV: 3 -0.182944538857E+04 0.85717E-04 -0.30116E-04 1944 0.232E-02 0.431E-02
DAV: 4 -0.182944538188E+04 0.66926E-05 -0.76764E-05 1696 0.933E-03
50 T= 1052. E= -.17857923E+04 F= -.18294454E+04 E0= -.18294302E+04 EK= 0.43653E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183037307408E+04 -0.92769E+00 -0.78379E-04 2812 0.353E-01 0.111E-01
DAV: 2 -0.183037318542E+04 -0.11134E-03 -0.50813E-03 1888 0.811E-02 0.986E-02
DAV: 3 -0.183037307693E+04 0.10849E-03 -0.76360E-04 1960 0.349E-02 0.626E-02
DAV: 4 -0.183037304461E+04 0.32315E-04 -0.26869E-04 1920 0.168E-02 0.367E-02
DAV: 5 -0.183037302974E+04 0.14873E-04 -0.50332E-05 1624 0.845E-03 0.219E-02
DAV: 6 -0.183037299976E+04 0.29981E-04 -0.46050E-05 1560 0.115E-02 0.222E-02
DAV: 7 -0.183037297074E+04 0.29022E-04 -0.81463E-05 1888 0.142E-02 0.192E-02
DAV: 8 -0.183037294791E+04 0.22824E-04 -0.61772E-05 1880 0.163E-02 0.173E-02
DAV: 9 -0.183037294609E+04 0.18273E-05 -0.54856E-05 1696 0.857E-03
51 T= 1074. E= -.17857923E+04 F= -.18303729E+04 E0= -.18303582E+04 EK= 0.44581E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183129635814E+04 -0.92341E+00 -0.52696E-05 1844 0.354E-01 0.673E-02
DAV: 2 -0.183129639491E+04 -0.36769E-04 -0.12442E-03 1952 0.388E-02 0.582E-02
DAV: 3 -0.183129637330E+04 0.21607E-04 -0.23690E-04 1968 0.177E-02 0.355E-02
DAV: 4 -0.183129636178E+04 0.11517E-04 -0.10910E-04 1680 0.102E-02 0.252E-02
DAV: 5 -0.183129635662E+04 0.51604E-05 -0.45450E-05 1384 0.800E-03
52 T= 1097. E= -.17857923E+04 F= -.18312964E+04 E0= -.18312827E+04 EK= 0.45504E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183221560444E+04 -0.91924E+00 0.19441E-05 1756 0.357E-01 0.458E-02
DAV: 2 -0.183221559197E+04 0.12473E-04 -0.56390E-04 2080 0.233E-02 0.519E-02
DAV: 3 -0.183221557244E+04 0.19530E-04 -0.20372E-04 1902 0.132E-02 0.344E-02
DAV: 4 -0.183221555020E+04 0.22236E-04 -0.42888E-05 1256 0.966E-03 0.265E-02
DAV: 5 -0.183221553769E+04 0.12517E-04 -0.43568E-05 1264 0.781E-03 0.272E-02
DAV: 6 -0.183221551540E+04 0.22285E-04 -0.11955E-05 1288 0.859E-03 0.128E-02
DAV: 7 -0.183221550281E+04 0.12588E-04 -0.25989E-05 1504 0.769E-03 0.975E-03
DAV: 8 -0.183221548620E+04 0.16613E-04 -0.10683E-05 1296 0.990E-03 0.778E-03
DAV: 9 -0.183221547915E+04 0.70547E-05 -0.40082E-05 1704 0.895E-03
53 T= 1119. E= -.17857922E+04 F= -.18322155E+04 E0= -.18322022E+04 EK= 0.46423E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183313037955E+04 -0.91489E+00 -0.32631E-04 2006 0.360E-01 0.428E-02
DAV: 2 -0.183313040401E+04 -0.24462E-04 -0.69834E-04 2184 0.267E-02 0.619E-02
DAV: 3 -0.183313037790E+04 0.26113E-04 -0.22049E-04 1926 0.140E-02 0.273E-02
DAV: 4 -0.183313036866E+04 0.92382E-05 -0.47814E-05 1240 0.902E-03
54 T= 1141. E= -.17857922E+04 F= -.18331304E+04 E0= -.18331166E+04 EK= 0.47338E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183404120820E+04 -0.91083E+00 -0.47792E-04 2670 0.363E-01 0.453E-02
DAV: 2 -0.183404117957E+04 0.28633E-04 -0.10230E-03 1984 0.315E-02 0.659E-02
DAV: 3 -0.183404114910E+04 0.30461E-04 -0.20958E-04 1896 0.145E-02 0.429E-02
DAV: 4 -0.183404111247E+04 0.36635E-04 -0.44939E-05 1296 0.873E-03 0.313E-02
DAV: 5 -0.183404108802E+04 0.24452E-04 -0.37724E-05 1304 0.767E-03 0.289E-02
DAV: 6 -0.183404101963E+04 0.68388E-04 -0.69379E-05 1792 0.188E-02 0.157E-02
DAV: 7 -0.183404099489E+04 0.24740E-04 -0.94531E-05 1960 0.149E-02 0.171E-02
DAV: 8 -0.183404099052E+04 0.43654E-05 -0.48389E-05 1640 0.789E-03
55 T= 1163. E= -.17857921E+04 F= -.18340410E+04 E0= -.18340280E+04 EK= 0.48249E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183494763015E+04 -0.90664E+00 -0.21508E-04 2134 0.369E-01 0.558E-02
DAV: 2 -0.183494766377E+04 -0.33616E-04 -0.62853E-04 2064 0.222E-02 0.763E-02
DAV: 3 -0.183494763932E+04 0.24444E-04 -0.20728E-04 1752 0.133E-02 0.418E-02
DAV: 4 -0.183494761763E+04 0.21690E-04 -0.69020E-05 1312 0.991E-03 0.272E-02
DAV: 5 -0.183494760338E+04 0.14250E-04 -0.42604E-05 1264 0.706E-03 0.174E-02
DAV: 6 -0.183494758956E+04 0.13822E-04 -0.21038E-05 1280 0.773E-03 0.956E-03
DAV: 7 -0.183494758434E+04 0.52240E-05 -0.22791E-05 1344 0.602E-03
56 T= 1185. E= -.17857921E+04 F= -.18349476E+04 E0= -.18349356E+04 EK= 0.49156E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183585038794E+04 -0.90280E+00 -0.17527E-04 1750 0.368E-01 0.464E-02
DAV: 2 -0.183585041096E+04 -0.23017E-04 -0.52131E-04 2112 0.183E-02 0.510E-02
DAV: 3 -0.183585039862E+04 0.12334E-04 -0.12473E-04 1558 0.109E-02 0.403E-02
DAV: 4 -0.183585037496E+04 0.23660E-04 -0.42262E-05 1272 0.932E-03 0.220E-02
DAV: 5 -0.183585036132E+04 0.13640E-04 -0.27716E-05 1326 0.767E-03 0.174E-02
DAV: 6 -0.183585034171E+04 0.19611E-04 -0.19208E-05 1272 0.944E-03 0.852E-03
DAV: 7 -0.183585033429E+04 0.74225E-05 -0.31769E-05 1632 0.719E-03
57 T= 1206. E= -.17857920E+04 F= -.18358503E+04 E0= -.18358388E+04 EK= 0.50058E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183674948700E+04 -0.89915E+00 -0.16703E-04 1350 0.369E-01 0.316E-02
DAV: 2 -0.183674953938E+04 -0.52385E-04 -0.51179E-04 2064 0.171E-02 0.436E-02
DAV: 3 -0.183674951208E+04 0.27307E-04 -0.15489E-04 1528 0.106E-02 0.223E-02
DAV: 4 -0.183674950904E+04 0.30319E-05 -0.22746E-05 1112 0.522E-03
58 T= 1228. E= -.17857919E+04 F= -.18367495E+04 E0= -.18367378E+04 EK= 0.50958E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183764554312E+04 -0.89603E+00 -0.35554E-04 2318 0.374E-01 0.404E-02
DAV: 2 -0.183764555880E+04 -0.15682E-04 -0.95359E-04 2088 0.264E-02 0.710E-02
DAV: 3 -0.183764551600E+04 0.42795E-04 -0.29525E-04 1920 0.138E-02 0.291E-02
DAV: 4 -0.183764549465E+04 0.21355E-04 -0.29651E-05 1248 0.759E-03 0.218E-02
DAV: 5 -0.183764548074E+04 0.13908E-04 -0.31080E-05 1208 0.711E-03 0.231E-02
DAV: 6 -0.183764543749E+04 0.43253E-04 -0.41656E-05 1560 0.159E-02 0.102E-02
DAV: 7 -0.183764542747E+04 0.10015E-04 -0.61526E-05 1872 0.118E-02 0.145E-02
DAV: 8 -0.183764542606E+04 0.14091E-05 -0.25907E-05 1432 0.609E-03
59 T= 1250. E= -.17857919E+04 F= -.18376454E+04 E0= -.18376342E+04 EK= 0.51854E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183853847868E+04 -0.89305E+00 -0.23042E-04 2044 0.376E-01 0.483E-02
DAV: 2 -0.183853853891E+04 -0.60235E-04 -0.78546E-04 2104 0.216E-02 0.859E-02
DAV: 3 -0.183853850057E+04 0.38343E-04 -0.25910E-04 1744 0.131E-02 0.277E-02
DAV: 4 -0.183853849550E+04 0.50712E-05 -0.57941E-05 1304 0.816E-03
60 T= 1271. E= -.17857918E+04 F= -.18385385E+04 E0= -.18385278E+04 EK= 0.52747E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.183942915592E+04 -0.89066E+00 -0.31519E-04 1870 0.380E-01 0.501E-02
DAV: 2 -0.183942920151E+04 -0.45592E-04 -0.98260E-04 2112 0.241E-02 0.967E-02
DAV: 3 -0.183942913455E+04 0.66963E-04 -0.33688E-04 1848 0.150E-02 0.312E-02
DAV: 4 -0.183942911712E+04 0.17428E-04 -0.59175E-05 1560 0.946E-03 0.293E-02
DAV: 5 -0.183942908574E+04 0.31380E-04 -0.53641E-05 1392 0.106E-02 0.185E-02
DAV: 6 -0.183942906294E+04 0.22797E-04 -0.28039E-05 1472 0.985E-03 0.968E-03
DAV: 7 -0.183942903713E+04 0.25810E-04 -0.37875E-05 1592 0.163E-02 0.110E-02
DAV: 8 -0.183942903585E+04 0.12801E-05 -0.64590E-05 1712 0.891E-03
61 T= 1293. E= -.17857917E+04 F= -.18394290E+04 E0= -.18394187E+04 EK= 0.53637E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184031769393E+04 -0.88866E+00 -0.28951E-04 1774 0.385E-01 0.461E-02
DAV: 2 -0.184031771432E+04 -0.20398E-04 -0.96057E-04 2176 0.258E-02 0.826E-02
DAV: 3 -0.184031765722E+04 0.57107E-04 -0.32628E-04 1894 0.149E-02 0.343E-02
DAV: 4 -0.184031763512E+04 0.22100E-04 -0.53980E-05 1568 0.952E-03 0.272E-02
DAV: 5 -0.184031760224E+04 0.32872E-04 -0.73020E-05 1592 0.121E-02 0.234E-02
DAV: 6 -0.184031757646E+04 0.25788E-04 -0.45104E-05 1656 0.125E-02 0.115E-02
DAV: 7 -0.184031756997E+04 0.64844E-05 -0.40302E-05 1656 0.877E-03
62 T= 1314. E= -.17857917E+04 F= -.18403176E+04 E0= -.18403073E+04 EK= 0.54526E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184120447534E+04 -0.88690E+00 -0.25599E-04 2006 0.382E-01 0.450E-02
DAV: 2 -0.184120454215E+04 -0.66817E-04 -0.75199E-04 2112 0.204E-02 0.636E-02
DAV: 3 -0.184120452696E+04 0.15193E-04 -0.13600E-04 1494 0.984E-03 0.425E-02
DAV: 4 -0.184120452168E+04 0.52833E-05 -0.17167E-05 1072 0.412E-03
63 T= 1335. E= -.17857916E+04 F= -.18412045E+04 E0= -.18411946E+04 EK= 0.55413E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184209037546E+04 -0.88585E+00 -0.32084E-04 2136 0.386E-01 0.860E-02
DAV: 2 -0.184209084049E+04 -0.46503E-03 -0.28879E-03 2240 0.446E-02 0.226E-01
DAV: 3 -0.184209037908E+04 0.46141E-03 -0.13665E-03 2360 0.321E-02 0.562E-02
DAV: 4 -0.184209037949E+04 -0.40668E-06 -0.16522E-04 1808 0.101E-02 0.262E-02
DAV: 5 -0.184209037520E+04 0.42855E-05 -0.32540E-05 1144 0.578E-03
64 T= 1357. E= -.17857915E+04 F= -.18420904E+04 E0= -.18420808E+04 EK= 0.56299E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184297566465E+04 -0.88529E+00 -0.68269E-04 2246 0.389E-01 0.980E-02
DAV: 2 -0.184297632257E+04 -0.65791E-03 -0.38273E-03 2320 0.545E-02 0.270E-01
DAV: 3 -0.184297565160E+04 0.67097E-03 -0.21714E-03 2368 0.393E-02 0.554E-02
DAV: 4 -0.184297566041E+04 -0.88139E-05 -0.19916E-04 1896 0.120E-02 0.308E-02
DAV: 5 -0.184297565112E+04 0.92923E-05 -0.72891E-05 1536 0.871E-03
65 T= 1378. E= -.17857914E+04 F= -.18429757E+04 E0= -.18429665E+04 EK= 0.57184E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184386084143E+04 -0.88518E+00 -0.51081E-04 2486 0.392E-01 0.646E-02
DAV: 2 -0.184386114166E+04 -0.30023E-03 -0.20861E-03 2256 0.456E-02 0.172E-01
DAV: 3 -0.184386086973E+04 0.27193E-03 -0.89501E-04 2054 0.296E-02 0.492E-02
DAV: 4 -0.184386086216E+04 0.75662E-05 -0.10751E-04 1864 0.952E-03 0.177E-02
DAV: 5 -0.184386085910E+04 0.30622E-05 -0.18886E-05 1120 0.529E-03
66 T= 1400. E= -.17857914E+04 F= -.18438609E+04 E0= -.18438519E+04 EK= 0.58069E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184474647998E+04 -0.88562E+00 -0.37322E-04 1918 0.395E-01 0.512E-02
DAV: 2 -0.184474663251E+04 -0.15253E-03 -0.13202E-03 2168 0.354E-02 0.112E-01
DAV: 3 -0.184474652755E+04 0.10496E-03 -0.48181E-04 1960 0.213E-02 0.464E-02
DAV: 4 -0.184474651520E+04 0.12349E-04 -0.60360E-05 1664 0.805E-03 0.186E-02
DAV: 5 -0.184474651301E+04 0.21946E-05 -0.17048E-05 1048 0.513E-03
67 T= 1421. E= -.17857913E+04 F= -.18447465E+04 E0= -.18447377E+04 EK= 0.58955E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184563311424E+04 -0.88660E+00 -0.23344E-04 2102 0.397E-01 0.575E-02
DAV: 2 -0.184563330283E+04 -0.18859E-03 -0.15454E-03 2048 0.373E-02 0.126E-01
DAV: 3 -0.184563316996E+04 0.13287E-03 -0.52955E-04 1968 0.221E-02 0.531E-02
DAV: 4 -0.184563315472E+04 0.15241E-04 -0.64128E-05 1648 0.829E-03 0.228E-02
DAV: 5 -0.184563315215E+04 0.25706E-05 -0.11421E-05 1008 0.431E-03
68 T= 1442. E= -.17857912E+04 F= -.18456332E+04 E0= -.18456244E+04 EK= 0.59842E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184652121694E+04 -0.88806E+00 -0.51625E-04 2558 0.401E-01 0.548E-02
DAV: 2 -0.184652141736E+04 -0.20042E-03 -0.21073E-03 1976 0.456E-02 0.113E-01
DAV: 3 -0.184652131128E+04 0.10608E-03 -0.54744E-04 1960 0.234E-02 0.581E-02
DAV: 4 -0.184652128654E+04 0.24745E-04 -0.85017E-05 1760 0.994E-03 0.238E-02
DAV: 5 -0.184652128204E+04 0.44954E-05 -0.18236E-05 1128 0.521E-03
69 T= 1464. E= -.17857912E+04 F= -.18465213E+04 E0= -.18465127E+04 EK= 0.60730E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184741130674E+04 -0.89002E+00 -0.54176E-04 2830 0.403E-01 0.695E-02
DAV: 2 -0.184741158517E+04 -0.27843E-03 -0.29804E-03 1936 0.557E-02 0.140E-01
DAV: 3 -0.184741143339E+04 0.15178E-03 -0.83007E-04 2006 0.295E-02 0.695E-02
DAV: 4 -0.184741140234E+04 0.31055E-04 -0.11923E-04 1872 0.118E-02 0.273E-02
DAV: 5 -0.184741139915E+04 0.31913E-05 -0.22574E-05 1160 0.547E-03
70 T= 1485. E= -.17857911E+04 F= -.18474114E+04 E0= -.18474030E+04 EK= 0.61620E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184830394073E+04 -0.89254E+00 -0.60841E-04 2734 0.407E-01 0.833E-02
DAV: 2 -0.184830419368E+04 -0.25296E-03 -0.37951E-03 1936 0.651E-02 0.121E-01
DAV: 3 -0.184830409775E+04 0.95935E-04 -0.92825E-04 2000 0.329E-02 0.962E-02
DAV: 4 -0.184830403724E+04 0.60515E-04 -0.18380E-04 1904 0.145E-02 0.287E-02
DAV: 5 -0.184830403403E+04 0.32020E-05 -0.39152E-05 1432 0.709E-03
71 T= 1507. E= -.17857910E+04 F= -.18483040E+04 E0= -.18482960E+04 EK= 0.62513E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.184919961740E+04 -0.89558E+00 -0.48893E-04 2854 0.409E-01 0.856E-02
DAV: 2 -0.184919978996E+04 -0.17256E-03 -0.35029E-03 1904 0.647E-02 0.959E-02
DAV: 3 -0.184919972527E+04 0.64688E-04 -0.64049E-04 1990 0.291E-02 0.767E-02
DAV: 4 -0.184919968385E+04 0.41423E-04 -0.15802E-04 1904 0.128E-02 0.275E-02
DAV: 5 -0.184919967949E+04 0.43632E-05 -0.28683E-05 1184 0.619E-03
72 T= 1528. E= -.17857910E+04 F= -.18491997E+04 E0= -.18491917E+04 EK= 0.63409E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.185009872247E+04 -0.89904E+00 -0.58968E-04 2734 0.412E-01 0.782E-02
DAV: 2 -0.185009889084E+04 -0.16837E-03 -0.34048E-03 1928 0.615E-02 0.689E-02
DAV: 3 -0.185009883523E+04 0.55617E-04 -0.46127E-04 1976 0.271E-02 0.573E-02
DAV: 4 -0.185009881602E+04 0.19212E-04 -0.12401E-04 1800 0.113E-02 0.225E-02
DAV: 5 -0.185009881264E+04 0.33752E-05 -0.21361E-05 1104 0.545E-03
73 T= 1550. E= -.17857909E+04 F= -.18500988E+04 E0= -.18500909E+04 EK= 0.64308E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.185100181215E+04 -0.90300E+00 -0.60591E-04 2790 0.415E-01 0.671E-02
DAV: 2 -0.185100201909E+04 -0.20693E-03 -0.31517E-03 1904 0.576E-02 0.828E-02
DAV: 3 -0.185100196542E+04 0.53668E-04 -0.42198E-04 2032 0.255E-02 0.677E-02
DAV: 4 -0.185100193711E+04 0.28306E-04 -0.11973E-04 1776 0.113E-02 0.243E-02
DAV: 5 -0.185100193475E+04 0.23584E-05 -0.16505E-05 1048 0.481E-03
74 T= 1572. E= -.17857908E+04 F= -.18510019E+04 E0= -.18509939E+04 EK= 0.65211E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.185190935858E+04 -0.90742E+00 -0.70569E-04 2830 0.418E-01 0.679E-02
DAV: 2 -0.185190954643E+04 -0.18785E-03 -0.33824E-03 1920 0.597E-02 0.609E-02
DAV: 3 -0.185190948497E+04 0.61463E-04 -0.25540E-04 2102 0.231E-02 0.369E-02
DAV: 4 -0.185190947896E+04 0.60101E-05 -0.74387E-05 1632 0.916E-03
75 T= 1594. E= -.17857908E+04 F= -.18519095E+04 E0= -.18519015E+04 EK= 0.66119E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.185282177691E+04 -0.91229E+00 -0.56323E-04 2708 0.421E-01 0.100E-01
DAV: 2 -0.185282215431E+04 -0.37741E-03 -0.44470E-03 1936 0.677E-02 0.214E-01
DAV: 3 -0.185282189452E+04 0.25979E-03 -0.14025E-03 1992 0.349E-02 0.908E-02
DAV: 4 -0.185282182748E+04 0.67047E-04 -0.20349E-04 2104 0.189E-02 0.270E-02
DAV: 5 -0.185282182612E+04 0.13612E-05 -0.55616E-05 1608 0.828E-03
76 T= 1615. E= -.17857907E+04 F= -.18528218E+04 E0= -.18528139E+04 EK= 0.67031E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.185373933492E+04 -0.91751E+00 -0.35086E-04 2518 0.425E-01 0.102E-01
DAV: 2 -0.185373982129E+04 -0.48637E-03 -0.41571E-03 1936 0.659E-02 0.248E-01
DAV: 3 -0.185373944556E+04 0.37573E-03 -0.12699E-03 2000 0.364E-02 0.827E-02
DAV: 4 -0.185373939683E+04 0.48738E-04 -0.20568E-04 2072 0.180E-02 0.279E-02
DAV: 5 -0.185373939560E+04 0.12257E-05 -0.51006E-05 1600 0.761E-03
77 T= 1638. E= -.17857907E+04 F= -.18537394E+04 E0= -.18537315E+04 EK= 0.67949E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.185466251787E+04 -0.92312E+00 -0.46805E-04 2478 0.427E-01 0.769E-02
DAV: 2 -0.185466269492E+04 -0.17705E-03 -0.27788E-03 1936 0.556E-02 0.121E-01
DAV: 3 -0.185466262610E+04 0.68825E-04 -0.62048E-04 1974 0.263E-02 0.899E-02
DAV: 4 -0.185466256561E+04 0.60490E-04 -0.14450E-04 1832 0.147E-02 0.274E-02
DAV: 5 -0.185466256173E+04 0.38827E-05 -0.42432E-05 1456 0.710E-03
78 T= 1660. E= -.17857906E+04 F= -.18546626E+04 E0= -.18546548E+04 EK= 0.68872E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.185559152195E+04 -0.92896E+00 -0.50389E-04 2710 0.430E-01 0.672E-02
DAV: 2 -0.185559174203E+04 -0.22008E-03 -0.26119E-03 1928 0.502E-02 0.109E-01
DAV: 3 -0.185559165195E+04 0.90082E-04 -0.41239E-04 1984 0.235E-02 0.669E-02
DAV: 4 -0.185559162176E+04 0.30190E-04 -0.89845E-05 1784 0.110E-02 0.285E-02
DAV: 5 -0.185559161888E+04 0.28820E-05 -0.17166E-05 1024 0.505E-03
79 T= 1682. E= -.17857906E+04 F= -.18555916E+04 E0= -.18555837E+04 EK= 0.69801E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.185652679168E+04 -0.93517E+00 -0.69669E-04 2806 0.434E-01 0.776E-02
DAV: 2 -0.185652705294E+04 -0.26126E-03 -0.34221E-03 1928 0.578E-02 0.110E-01
DAV: 3 -0.185652695857E+04 0.94377E-04 -0.51590E-04 1976 0.265E-02 0.807E-02
DAV: 4 -0.185652691586E+04 0.42704E-04 -0.11687E-04 1824 0.127E-02 0.318E-02
DAV: 5 -0.185652691401E+04 0.18480E-05 -0.17210E-05 1048 0.491E-03
80 T= 1705. E= -.17857905E+04 F= -.18565269E+04 E0= -.18565190E+04 EK= 0.70736E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.185746861820E+04 -0.94170E+00 -0.75866E-04 2822 0.437E-01 0.989E-02
DAV: 2 -0.185746886725E+04 -0.24904E-03 -0.51243E-03 1928 0.769E-02 0.111E-01
DAV: 3 -0.185746877367E+04 0.93574E-04 -0.83736E-04 1992 0.334E-02 0.980E-02
DAV: 4 -0.185746871147E+04 0.62204E-04 -0.19734E-04 1912 0.161E-02 0.342E-02
DAV: 5 -0.185746870460E+04 0.68656E-05 -0.50634E-05 1520 0.802E-03
81 T= 1727. E= -.17857905E+04 F= -.18574687E+04 E0= -.18574605E+04 EK= 0.71678E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.185841708339E+04 -0.94837E+00 -0.89916E-04 2886 0.439E-01 0.102E-01
DAV: 2 -0.185841731180E+04 -0.22841E-03 -0.50071E-03 1920 0.759E-02 0.101E-01
DAV: 3 -0.185841724816E+04 0.63639E-04 -0.77864E-04 1992 0.330E-02 0.106E-01
DAV: 4 -0.185841717982E+04 0.68334E-04 -0.18668E-04 1936 0.158E-02 0.290E-02
DAV: 5 -0.185841717624E+04 0.35829E-05 -0.47684E-05 1488 0.770E-03
82 T= 1750. E= -.17857905E+04 F= -.18584172E+04 E0= -.18584091E+04 EK= 0.72627E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.185937241493E+04 -0.95524E+00 -0.83335E-04 2822 0.444E-01 0.992E-02
DAV: 2 -0.185937274243E+04 -0.32750E-03 -0.44204E-03 1920 0.710E-02 0.134E-01
DAV: 3 -0.185937259567E+04 0.14676E-03 -0.69913E-04 2014 0.334E-02 0.839E-02
DAV: 4 -0.185937254650E+04 0.49171E-04 -0.17008E-04 1912 0.155E-02 0.352E-02
DAV: 5 -0.185937254216E+04 0.43335E-05 -0.36915E-05 1432 0.693E-03
83 T= 1773. E= -.17857904E+04 F= -.18593725E+04 E0= -.18593643E+04 EK= 0.73582E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.186033483445E+04 -0.96229E+00 -0.63773E-04 2822 0.446E-01 0.908E-02
DAV: 2 -0.186033502457E+04 -0.19012E-03 -0.38790E-03 1928 0.683E-02 0.847E-02
DAV: 3 -0.186033494737E+04 0.77204E-04 -0.45627E-04 1968 0.290E-02 0.583E-02
DAV: 4 -0.186033492158E+04 0.25782E-04 -0.12168E-04 1792 0.128E-02 0.279E-02
DAV: 5 -0.186033491678E+04 0.48018E-05 -0.28458E-05 1160 0.640E-03
84 T= 1797. E= -.17857904E+04 F= -.18603349E+04 E0= -.18603268E+04 EK= 0.74545E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.186130423289E+04 -0.96931E+00 -0.64292E-04 2846 0.448E-01 0.948E-02
DAV: 2 -0.186130462163E+04 -0.38873E-03 -0.44039E-03 1960 0.691E-02 0.178E-01
DAV: 3 -0.186130442531E+04 0.19632E-03 -0.81092E-04 2008 0.332E-02 0.105E-01
DAV: 4 -0.186130435506E+04 0.70249E-04 -0.19504E-04 1896 0.171E-02 0.365E-02
DAV: 5 -0.186130434975E+04 0.53042E-05 -0.48751E-05 1544 0.802E-03
85 T= 1820. E= -.17857904E+04 F= -.18613043E+04 E0= -.18612959E+04 EK= 0.75514E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.186228081718E+04 -0.97646E+00 -0.82403E-04 2838 0.452E-01 0.997E-02
DAV: 2 -0.186228119551E+04 -0.37833E-03 -0.45502E-03 1936 0.719E-02 0.176E-01
DAV: 3 -0.186228102307E+04 0.17244E-03 -0.93240E-04 2014 0.350E-02 0.122E-01
DAV: 4 -0.186228092774E+04 0.95329E-04 -0.21465E-04 1912 0.184E-02 0.384E-02
DAV: 5 -0.186228092502E+04 0.27265E-05 -0.52130E-05 1616 0.799E-03
86 T= 1843. E= -.17857904E+04 F= -.18622809E+04 E0= -.18622725E+04 EK= 0.76491E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.186326455083E+04 -0.98362E+00 -0.79160E-04 2870 0.455E-01 0.104E-01
DAV: 2 -0.186326478925E+04 -0.23842E-03 -0.47346E-03 1928 0.778E-02 0.106E-01
DAV: 3 -0.186326469299E+04 0.96266E-04 -0.64133E-04 1976 0.351E-02 0.822E-02
DAV: 4 -0.186326464544E+04 0.47547E-04 -0.17216E-04 1896 0.155E-02 0.347E-02
DAV: 5 -0.186326463941E+04 0.60270E-05 -0.41825E-05 1560 0.761E-03
87 T= 1867. E= -.17857903E+04 F= -.18632646E+04 E0= -.18632559E+04 EK= 0.77474E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.186425530972E+04 -0.99066E+00 -0.79086E-04 2870 0.458E-01 0.950E-02
DAV: 2 -0.186425550991E+04 -0.20019E-03 -0.43788E-03 1936 0.728E-02 0.738E-02
DAV: 3 -0.186425542624E+04 0.83670E-04 -0.60732E-04 1966 0.316E-02 0.532E-02
DAV: 4 -0.186425541281E+04 0.13429E-04 -0.13131E-04 1856 0.131E-02 0.304E-02
DAV: 5 -0.186425540625E+04 0.65527E-05 -0.24500E-05 1128 0.613E-03
88 T= 1891. E= -.17857903E+04 F= -.18642554E+04 E0= -.18642466E+04 EK= 0.78465E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.186525303448E+04 -0.99762E+00 -0.47023E-04 2766 0.462E-01 0.705E-02
DAV: 2 -0.186525325561E+04 -0.22114E-03 -0.36393E-03 1936 0.615E-02 0.723E-02
DAV: 3 -0.186525318818E+04 0.67430E-04 -0.33014E-04 1982 0.257E-02 0.603E-02
DAV: 4 -0.186525317163E+04 0.16550E-04 -0.97216E-05 1776 0.113E-02 0.277E-02
DAV: 5 -0.186525316598E+04 0.56515E-05 -0.19344E-05 1062 0.556E-03
89 T= 1915. E= -.17857903E+04 F= -.18652532E+04 E0= -.18652443E+04 EK= 0.79463E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.186625760849E+04 -0.10044E+01 -0.73139E-04 2848 0.466E-01 0.693E-02
DAV: 2 -0.186625792603E+04 -0.31754E-03 -0.38721E-03 1920 0.633E-02 0.126E-01
DAV: 3 -0.186625782384E+04 0.10219E-03 -0.38031E-04 1984 0.259E-02 0.819E-02
DAV: 4 -0.186625777681E+04 0.47026E-04 -0.11816E-04 1880 0.140E-02 0.362E-02
DAV: 5 -0.186625776989E+04 0.69193E-05 -0.30195E-05 1328 0.673E-03
90 T= 1939. E= -.17857903E+04 F= -.18662578E+04 E0= -.18662488E+04 EK= 0.80467E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.186726872604E+04 -0.10109E+01 -0.10680E-03 2886 0.469E-01 0.915E-02
DAV: 2 -0.186726930955E+04 -0.58352E-03 -0.53552E-03 1928 0.751E-02 0.206E-01
DAV: 3 -0.186726903861E+04 0.27094E-03 -0.77356E-04 1992 0.344E-02 0.109E-01
DAV: 4 -0.186726896098E+04 0.77637E-04 -0.18320E-04 1896 0.179E-02 0.434E-02
DAV: 5 -0.186726895815E+04 0.28305E-05 -0.40894E-05 1480 0.712E-03
91 T= 1964. E= -.17857903E+04 F= -.18672690E+04 E0= -.18672599E+04 EK= 0.81479E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.186828635182E+04 -0.10174E+01 -0.11038E-03 2926 0.472E-01 0.124E-01
DAV: 2 -0.186828678805E+04 -0.43624E-03 -0.72287E-03 1904 0.946E-02 0.180E-01
DAV: 3 -0.186828670355E+04 0.84506E-04 -0.11417E-03 2016 0.440E-02 0.175E-01
DAV: 4 -0.186828650418E+04 0.19937E-03 -0.34362E-04 1944 0.246E-02 0.362E-02
DAV: 5 -0.186828650468E+04 -0.50011E-06 -0.10411E-04 1816 0.112E-02 0.212E-02
DAV: 6 -0.186828649945E+04 0.52273E-05 -0.21061E-05 1200 0.651E-03
92 T= 1988. E= -.17857903E+04 F= -.18682865E+04 E0= -.18682773E+04 EK= 0.82496E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.186931005638E+04 -0.10236E+01 -0.56235E-04 2814 0.474E-01 0.102E-01
DAV: 2 -0.186931027024E+04 -0.21386E-03 -0.48290E-03 1904 0.783E-02 0.117E-01
DAV: 3 -0.186931027239E+04 -0.21468E-05 -0.67209E-04 2048 0.349E-02 0.147E-01
DAV: 4 -0.186931013694E+04 0.13545E-03 -0.21886E-04 1960 0.190E-02 0.285E-02
DAV: 5 -0.186931013582E+04 0.11223E-05 -0.62417E-05 1728 0.904E-03
93 T= 2013. E= -.17857903E+04 F= -.18693101E+04 E0= -.18693009E+04 EK= 0.83520E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.187033936113E+04 -0.10292E+01 -0.36997E-04 2606 0.477E-01 0.650E-02
DAV: 2 -0.187033955459E+04 -0.19347E-03 -0.28578E-03 1920 0.555E-02 0.872E-02
DAV: 3 -0.187033952123E+04 0.33362E-04 -0.30025E-04 2070 0.246E-02 0.925E-02
DAV: 4 -0.187033946751E+04 0.53716E-04 -0.10439E-04 1856 0.126E-02 0.251E-02
DAV: 5 -0.187033946426E+04 0.32559E-05 -0.28734E-05 1312 0.645E-03
94 T= 2038. E= -.17857903E+04 F= -.18703395E+04 E0= -.18703301E+04 EK= 0.84549E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.187137397323E+04 -0.10345E+01 -0.40787E-04 2766 0.481E-01 0.612E-02
DAV: 2 -0.187137423986E+04 -0.26663E-03 -0.27287E-03 1944 0.527E-02 0.121E-01
DAV: 3 -0.187137416013E+04 0.79726E-04 -0.26106E-04 2008 0.235E-02 0.838E-02
DAV: 4 -0.187137411406E+04 0.46077E-04 -0.91870E-05 1800 0.121E-02 0.313E-02
DAV: 5 -0.187137411177E+04 0.22857E-05 -0.18916E-05 1096 0.527E-03
95 T= 2063. E= -.17857903E+04 F= -.18713741E+04 E0= -.18713648E+04 EK= 0.85584E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.187241350098E+04 -0.10394E+01 -0.51789E-04 2774 0.484E-01 0.812E-02
DAV: 2 -0.187241381330E+04 -0.31232E-03 -0.38238E-03 1912 0.668E-02 0.142E-01
DAV: 3 -0.187241372482E+04 0.88486E-04 -0.47189E-04 2032 0.312E-02 0.119E-01
DAV: 4 -0.187241363122E+04 0.93591E-04 -0.16289E-04 1888 0.164E-02 0.349E-02
DAV: 5 -0.187241362629E+04 0.49303E-05 -0.47505E-05 1560 0.791E-03
96 T= 2088. E= -.17857904E+04 F= -.18724136E+04 E0= -.18724040E+04 EK= 0.86623E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.187345733053E+04 -0.10437E+01 -0.61561E-04 2814 0.486E-01 0.925E-02
DAV: 2 -0.187345777878E+04 -0.44825E-03 -0.46000E-03 1928 0.738E-02 0.186E-01
DAV: 3 -0.187345759858E+04 0.18020E-03 -0.63814E-04 2030 0.350E-02 0.127E-01
DAV: 4 -0.187345749581E+04 0.10277E-03 -0.19637E-04 1888 0.184E-02 0.387E-02
DAV: 5 -0.187345749221E+04 0.36007E-05 -0.51200E-05 1624 0.827E-03
97 T= 2113. E= -.17857904E+04 F= -.18734575E+04 E0= -.18734480E+04 EK= 0.87667E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.187450505402E+04 -0.10476E+01 -0.67062E-04 2862 0.491E-01 0.100E-01
DAV: 2 -0.187450539498E+04 -0.34096E-03 -0.49297E-03 1912 0.786E-02 0.144E-01
DAV: 3 -0.187450533598E+04 0.58997E-04 -0.67178E-04 2056 0.373E-02 0.152E-01
DAV: 4 -0.187450519461E+04 0.14137E-03 -0.21867E-04 1928 0.186E-02 0.363E-02
DAV: 5 -0.187450519272E+04 0.18884E-05 -0.51302E-05 1640 0.821E-03
98 T= 2138. E= -.17857904E+04 F= -.18745052E+04 E0= -.18744955E+04 EK= 0.88715E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.187555610400E+04 -0.10509E+01 -0.65234E-04 2870 0.493E-01 0.109E-01
DAV: 2 -0.187555632143E+04 -0.21743E-03 -0.50573E-03 1928 0.815E-02 0.104E-01
DAV: 3 -0.187555626104E+04 0.60395E-04 -0.74499E-04 2022 0.371E-02 0.921E-02
DAV: 4 -0.187555619160E+04 0.69441E-04 -0.19249E-04 1912 0.172E-02 0.420E-02
DAV: 5 -0.187555618385E+04 0.77531E-05 -0.49717E-05 1680 0.835E-03
99 T= 2163. E= -.17857904E+04 F= -.18755562E+04 E0= -.18755465E+04 EK= 0.89766E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.187660975220E+04 -0.10536E+01 -0.86012E-04 2862 0.497E-01 0.986E-02
DAV: 2 -0.187660991795E+04 -0.16575E-03 -0.41902E-03 1936 0.729E-02 0.744E-02
DAV: 3 -0.187660985772E+04 0.60226E-04 -0.52863E-04 2024 0.308E-02 0.570E-02
DAV: 4 -0.187660983217E+04 0.25555E-04 -0.11627E-04 1816 0.130E-02 0.221E-02
DAV: 5 -0.187660982876E+04 0.34102E-05 -0.25862E-05 1320 0.684E-03
100 T= 2189. E= -.17857904E+04 F= -.18766098E+04 E0= -.18766001E+04 EK= 0.90819E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.187766545034E+04 -0.10556E+01 -0.44796E-04 2734 0.499E-01 0.937E-02
DAV: 2 -0.187766616686E+04 -0.71652E-03 -0.36684E-03 2016 0.682E-02 0.301E-01
DAV: 3 -0.187766556202E+04 0.60484E-03 -0.10059E-03 2056 0.399E-02 0.800E-02
DAV: 4 -0.187766553198E+04 0.30039E-04 -0.11899E-04 2016 0.174E-02 0.391E-02
DAV: 5 -0.187766552189E+04 0.10095E-04 -0.55881E-05 1680 0.903E-03 0.180E-02
DAV: 6 -0.187766551857E+04 0.33194E-05 -0.14944E-05 1048 0.523E-03
101 T= 2214. E= -.17857905E+04 F= -.18776655E+04 E0= -.18776558E+04 EK= 0.91875E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.187872254079E+04 -0.10570E+01 -0.44253E-04 2836 0.503E-01 0.886E-02
DAV: 2 -0.187872346747E+04 -0.92668E-03 -0.31601E-03 2048 0.635E-02 0.355E-01
DAV: 3 -0.187872263282E+04 0.83465E-03 -0.10182E-03 2112 0.403E-02 0.634E-02
DAV: 4 -0.187872262904E+04 0.37794E-05 -0.10804E-04 1984 0.139E-02 0.354E-02
DAV: 5 -0.187872262277E+04 0.62713E-05 -0.29984E-05 1384 0.654E-03
102 T= 2240. E= -.17857905E+04 F= -.18787226E+04 E0= -.18787128E+04 EK= 0.92932E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.187978029522E+04 -0.10577E+01 -0.47813E-04 2796 0.505E-01 0.848E-02
DAV: 2 -0.187978080633E+04 -0.51111E-03 -0.37812E-03 1928 0.650E-02 0.239E-01
DAV: 3 -0.187978047004E+04 0.33629E-03 -0.67228E-04 1976 0.331E-02 0.888E-02
DAV: 4 -0.187978041172E+04 0.58316E-04 -0.12158E-04 1952 0.172E-02 0.329E-02
DAV: 5 -0.187978040742E+04 0.42964E-05 -0.53224E-05 1624 0.856E-03
103 T= 2265. E= -.17857906E+04 F= -.18797804E+04 E0= -.18797706E+04 EK= 0.93990E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.188083803862E+04 -0.10576E+01 -0.72741E-04 2900 0.510E-01 0.948E-02
DAV: 2 -0.188083848700E+04 -0.44839E-03 -0.46672E-03 1920 0.711E-02 0.193E-01
DAV: 3 -0.188083829404E+04 0.19297E-03 -0.70188E-04 1984 0.324E-02 0.123E-01
DAV: 4 -0.188083819809E+04 0.95949E-04 -0.15625E-04 1896 0.187E-02 0.401E-02
DAV: 5 -0.188083819346E+04 0.46300E-05 -0.52387E-05 1608 0.822E-03
104 T= 2291. E= -.17857906E+04 F= -.18808382E+04 E0= -.18808283E+04 EK= 0.95048E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.188189524575E+04 -0.10570E+01 -0.46499E-04 2788 0.512E-01 0.106E-01
DAV: 2 -0.188189547787E+04 -0.23212E-03 -0.50479E-03 1920 0.797E-02 0.116E-01
DAV: 3 -0.188189542776E+04 0.50108E-04 -0.80246E-04 2000 0.351E-02 0.132E-01
DAV: 4 -0.188189532281E+04 0.10495E-03 -0.18016E-04 1920 0.176E-02 0.359E-02
DAV: 5 -0.188189531440E+04 0.84034E-05 -0.52530E-05 1736 0.903E-03
105 T= 2316. E= -.17857907E+04 F= -.18818953E+04 E0= -.18818853E+04 EK= 0.96105E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.188295091259E+04 -0.10556E+01 -0.59009E-04 2820 0.515E-01 0.989E-02
DAV: 2 -0.188295120007E+04 -0.28748E-03 -0.49774E-03 1912 0.767E-02 0.134E-01
DAV: 3 -0.188295117591E+04 0.24163E-04 -0.78973E-04 2014 0.363E-02 0.148E-01
DAV: 4 -0.188295102861E+04 0.14730E-03 -0.19139E-04 1928 0.195E-02 0.363E-02
DAV: 5 -0.188295102597E+04 0.26347E-05 -0.59414E-05 1728 0.922E-03
106 T= 2342. E= -.17857907E+04 F= -.18829510E+04 E0= -.18829410E+04 EK= 0.97160E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.188400449558E+04 -0.10535E+01 -0.57995E-04 2806 0.518E-01 0.943E-02
DAV: 2 -0.188400477325E+04 -0.27767E-03 -0.44961E-03 1920 0.716E-02 0.116E-01
DAV: 3 -0.188400473789E+04 0.35362E-04 -0.55607E-04 2016 0.310E-02 0.126E-01
DAV: 4 -0.188400463984E+04 0.98050E-04 -0.15016E-04 1880 0.159E-02 0.333E-02
DAV: 5 -0.188400463722E+04 0.26168E-05 -0.36660E-05 1488 0.730E-03
107 T= 2367. E= -.17857907E+04 F= -.18840046E+04 E0= -.18839945E+04 EK= 0.98214E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.188505540188E+04 -0.10508E+01 -0.40648E-04 2686 0.523E-01 0.938E-02
DAV: 2 -0.188505557162E+04 -0.16975E-03 -0.40349E-03 1920 0.714E-02 0.734E-02
DAV: 3 -0.188505550723E+04 0.64398E-04 -0.44115E-04 1944 0.301E-02 0.664E-02
DAV: 4 -0.188505548171E+04 0.25515E-04 -0.99886E-05 1832 0.131E-02 0.362E-02
DAV: 5 -0.188505547288E+04 0.88289E-05 -0.29513E-05 1272 0.662E-03
108 T= 2392. E= -.17857907E+04 F= -.18850555E+04 E0= -.18850453E+04 EK= 0.99265E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.188610273217E+04 -0.10473E+01 -0.42080E-04 2782 0.523E-01 0.848E-02
DAV: 2 -0.188610302280E+04 -0.29064E-03 -0.40009E-03 1912 0.683E-02 0.144E-01
DAV: 3 -0.188610295514E+04 0.67661E-04 -0.52691E-04 1990 0.313E-02 0.130E-01
DAV: 4 -0.188610283560E+04 0.11954E-03 -0.19042E-04 1944 0.189E-02 0.309E-02
DAV: 5 -0.188610283401E+04 0.15885E-05 -0.60492E-05 1688 0.884E-03
109 T= 2418. E= -.17857908E+04 F= -.18861028E+04 E0= -.18860925E+04 EK= 0.10031E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.188714595694E+04 -0.10431E+01 -0.49354E-04 2782 0.527E-01 0.793E-02
DAV: 2 -0.188714635855E+04 -0.40161E-03 -0.36888E-03 1920 0.636E-02 0.194E-01
DAV: 3 -0.188714616647E+04 0.19209E-03 -0.46892E-04 2016 0.292E-02 0.102E-01
DAV: 4 -0.188714609074E+04 0.75725E-04 -0.17031E-04 1896 0.175E-02 0.334E-02
DAV: 5 -0.188714608937E+04 0.13682E-05 -0.41111E-05 1464 0.711E-03
110 T= 2443. E= -.17857908E+04 F= -.18871461E+04 E0= -.18871357E+04 EK= 0.10136E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.188818458056E+04 -0.10385E+01 -0.56036E-04 2784 0.529E-01 0.951E-02
DAV: 2 -0.188818490601E+04 -0.32545E-03 -0.42192E-03 1920 0.715E-02 0.177E-01
DAV: 3 -0.188818480805E+04 0.97956E-04 -0.66797E-04 1998 0.336E-02 0.141E-01
DAV: 4 -0.188818466883E+04 0.13922E-03 -0.23260E-04 1968 0.202E-02 0.319E-02
DAV: 5 -0.188818466718E+04 0.16428E-05 -0.67071E-05 1708 0.918E-03
111 T= 2468. E= -.17857909E+04 F= -.18881847E+04 E0= -.18881742E+04 EK= 0.10239E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.188921789285E+04 -0.10332E+01 -0.86279E-04 2880 0.532E-01 0.967E-02
DAV: 2 -0.188921819393E+04 -0.30108E-03 -0.43185E-03 1936 0.724E-02 0.130E-01
DAV: 3 -0.188921811582E+04 0.78103E-04 -0.65217E-04 2064 0.359E-02 0.124E-01
DAV: 4 -0.188921800379E+04 0.11203E-03 -0.23661E-04 1960 0.187E-02 0.445E-02
DAV: 5 -0.188921799407E+04 0.97285E-05 -0.53051E-05 1720 0.874E-03
112 T= 2493. E= -.17857909E+04 F= -.18892180E+04 E0= -.18892072E+04 EK= 0.10343E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189024546351E+04 -0.10275E+01 -0.65341E-04 2870 0.534E-01 0.866E-02
DAV: 2 -0.189024569247E+04 -0.22896E-03 -0.39530E-03 1920 0.679E-02 0.952E-02
DAV: 3 -0.189024565388E+04 0.38591E-04 -0.40808E-04 2032 0.297E-02 0.103E-01
DAV: 4 -0.189024557799E+04 0.75895E-04 -0.14951E-04 1912 0.147E-02 0.322E-02
DAV: 5 -0.189024557474E+04 0.32427E-05 -0.33023E-05 1456 0.683E-03
113 T= 2517. E= -.17857909E+04 F= -.18902456E+04 E0= -.18902346E+04 EK= 0.10445E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189126694804E+04 -0.10214E+01 -0.59527E-04 2806 0.538E-01 0.944E-02
DAV: 2 -0.189126719134E+04 -0.24330E-03 -0.41786E-03 1936 0.717E-02 0.129E-01
DAV: 3 -0.189126711760E+04 0.73740E-04 -0.67649E-04 2030 0.332E-02 0.117E-01
DAV: 4 -0.189126702732E+04 0.90274E-04 -0.18827E-04 1904 0.168E-02 0.429E-02
DAV: 5 -0.189126701726E+04 0.10067E-04 -0.54796E-05 1592 0.914E-03 0.222E-02
DAV: 6 -0.189126700992E+04 0.73398E-05 -0.22186E-05 1152 0.641E-03
114 T= 2542. E= -.17857909E+04 F= -.18912670E+04 E0= -.18912559E+04 EK= 0.10548E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189228180368E+04 -0.10148E+01 -0.58046E-04 2806 0.538E-01 0.736E-02
DAV: 2 -0.189228214371E+04 -0.34003E-03 -0.34721E-03 1920 0.600E-02 0.148E-01
DAV: 3 -0.189228200799E+04 0.13573E-03 -0.45117E-04 2016 0.267E-02 0.975E-02
DAV: 4 -0.189228195169E+04 0.56301E-04 -0.13893E-04 1848 0.148E-02 0.357E-02
DAV: 5 -0.189228194474E+04 0.69481E-05 -0.38049E-05 1408 0.783E-03
115 T= 2566. E= -.17857909E+04 F= -.18922819E+04 E0= -.18922707E+04 EK= 0.10649E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189328994415E+04 -0.10080E+01 -0.64944E-04 2822 0.542E-01 0.592E-02
DAV: 2 -0.189329023350E+04 -0.28934E-03 -0.36868E-03 1920 0.591E-02 0.824E-02
DAV: 3 -0.189329014927E+04 0.84231E-04 -0.30616E-04 2040 0.237E-02 0.675E-02
DAV: 4 -0.189329012547E+04 0.23797E-04 -0.83321E-05 1768 0.101E-02 0.338E-02
DAV: 5 -0.189329011967E+04 0.57956E-05 -0.12521E-05 1040 0.470E-03
116 T= 2591. E= -.17857909E+04 F= -.18932901E+04 E0= -.18932785E+04 EK= 0.10750E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189429114925E+04 -0.10010E+01 -0.74811E-04 2862 0.544E-01 0.919E-02
DAV: 2 -0.189429153904E+04 -0.38979E-03 -0.58976E-03 1912 0.803E-02 0.109E-01
DAV: 3 -0.189429141586E+04 0.12317E-03 -0.51426E-04 2006 0.331E-02 0.858E-02
DAV: 4 -0.189429136444E+04 0.51426E-04 -0.17182E-04 1896 0.155E-02 0.378E-02
DAV: 5 -0.189429136048E+04 0.39573E-05 -0.32843E-05 1424 0.660E-03
117 T= 2615. E= -.17857909E+04 F= -.18942914E+04 E0= -.18942794E+04 EK= 0.10850E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189528550848E+04 -0.99414E+00 -0.64166E-04 2870 0.546E-01 0.124E-01
DAV: 2 -0.189528577088E+04 -0.26240E-03 -0.72310E-03 1896 0.953E-02 0.110E-01
DAV: 3 -0.189528577853E+04 -0.76577E-05 -0.96515E-04 1992 0.403E-02 0.166E-01
DAV: 4 -0.189528560459E+04 0.17394E-03 -0.27985E-04 1944 0.206E-02 0.360E-02
DAV: 5 -0.189528560279E+04 0.18049E-05 -0.73378E-05 1728 0.102E-02
118 T= 2639. E= -.17857909E+04 F= -.18952856E+04 E0= -.18952734E+04 EK= 0.10949E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189627288136E+04 -0.98728E+00 -0.55339E-04 2806 0.547E-01 0.126E-01
DAV: 2 -0.189627330287E+04 -0.42150E-03 -0.67092E-03 1936 0.953E-02 0.188E-01
DAV: 3 -0.189627309656E+04 0.20631E-03 -0.18184E-03 2062 0.497E-02 0.154E-01
DAV: 4 -0.189627293747E+04 0.15910E-03 -0.39728E-04 2000 0.249E-02 0.765E-02
DAV: 5 -0.189627290334E+04 0.34130E-04 -0.11158E-04 1872 0.125E-02 0.224E-02
DAV: 6 -0.189627289828E+04 0.50520E-05 -0.27719E-05 1384 0.677E-03
119 T= 2663. E= -.17857909E+04 F= -.18962729E+04 E0= -.18962604E+04 EK= 0.11048E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189725332949E+04 -0.98043E+00 -0.40430E-04 2732 0.550E-01 0.911E-02
DAV: 2 -0.189725382451E+04 -0.49501E-03 -0.42542E-03 1944 0.721E-02 0.198E-01
DAV: 3 -0.189725349686E+04 0.32765E-03 -0.11837E-03 2032 0.392E-02 0.107E-01
DAV: 4 -0.189725343693E+04 0.59925E-04 -0.20465E-04 1920 0.175E-02 0.540E-02
DAV: 5 -0.189725341520E+04 0.21733E-04 -0.66534E-05 1752 0.967E-03 0.213E-02
DAV: 6 -0.189725340828E+04 0.69189E-05 -0.23798E-05 1232 0.687E-03
120 T= 2686. E= -.17857909E+04 F= -.18972534E+04 E0= -.18972406E+04 EK= 0.11146E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189822729884E+04 -0.97388E+00 -0.43330E-04 2694 0.552E-01 0.565E-02
DAV: 2 -0.189822762587E+04 -0.32703E-03 -0.29095E-03 1928 0.539E-02 0.128E-01
DAV: 3 -0.189822746717E+04 0.15870E-03 -0.44105E-04 2000 0.254E-02 0.659E-02
DAV: 4 -0.189822744175E+04 0.25423E-04 -0.90526E-05 1816 0.117E-02 0.356E-02
DAV: 5 -0.189822743561E+04 0.61440E-05 -0.18518E-05 1080 0.537E-03
121 T= 2710. E= -.17857910E+04 F= -.18982274E+04 E0= -.18982143E+04 EK= 0.11244E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189919514183E+04 -0.96770E+00 -0.54062E-04 2798 0.555E-01 0.716E-02
DAV: 2 -0.189919558292E+04 -0.44109E-03 -0.42035E-03 1928 0.660E-02 0.159E-01
DAV: 3 -0.189919539616E+04 0.18676E-03 -0.65784E-04 1960 0.301E-02 0.988E-02
DAV: 4 -0.189919532785E+04 0.68307E-04 -0.15228E-04 1888 0.164E-02 0.442E-02
DAV: 5 -0.189919532130E+04 0.65521E-05 -0.37944E-05 1480 0.721E-03
122 T= 2733. E= -.17857909E+04 F= -.18991953E+04 E0= -.18991819E+04 EK= 0.11340E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190015746396E+04 -0.96214E+00 -0.71862E-04 2846 0.555E-01 0.134E-01
DAV: 2 -0.190015819331E+04 -0.72935E-03 -0.77885E-03 1904 0.978E-02 0.285E-01
DAV: 3 -0.190015782112E+04 0.37219E-03 -0.20444E-03 1990 0.476E-02 0.188E-01
DAV: 4 -0.190015758560E+04 0.23552E-03 -0.45077E-04 2032 0.289E-02 0.500E-02
DAV: 5 -0.190015757246E+04 0.13144E-04 -0.13818E-04 1928 0.136E-02 0.245E-02
DAV: 6 -0.190015756308E+04 0.93729E-05 -0.44007E-05 1640 0.847E-03
123 T= 2756. E= -.17857909E+04 F= -.19001576E+04 E0= -.19001438E+04 EK= 0.11437E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190111473722E+04 -0.95716E+00 -0.58207E-04 2870 0.558E-01 0.119E-01
DAV: 2 -0.190111545228E+04 -0.71507E-03 -0.59385E-03 1920 0.832E-02 0.291E-01
DAV: 3 -0.190111495406E+04 0.49823E-03 -0.18248E-03 1982 0.405E-02 0.148E-01
DAV: 4 -0.190111484168E+04 0.11237E-03 -0.32380E-04 2008 0.244E-02 0.562E-02
DAV: 5 -0.190111481655E+04 0.25134E-04 -0.12861E-04 1888 0.129E-02 0.270E-02
DAV: 6 -0.190111481181E+04 0.47404E-05 -0.30592E-05 1424 0.689E-03
124 T= 2779. E= -.17857908E+04 F= -.19011148E+04 E0= -.19011008E+04 EK= 0.11532E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190206762308E+04 -0.95281E+00 -0.38958E-04 2558 0.560E-01 0.670E-02
DAV: 2 -0.190206799298E+04 -0.36990E-03 -0.34416E-03 1936 0.587E-02 0.157E-01
DAV: 3 -0.190206780429E+04 0.18869E-03 -0.47527E-04 1976 0.252E-02 0.816E-02
DAV: 4 -0.190206776752E+04 0.36761E-04 -0.11728E-04 1816 0.136E-02 0.396E-02
DAV: 5 -0.190206775865E+04 0.88736E-05 -0.29092E-05 1176 0.656E-03
125 T= 2802. E= -.17857907E+04 F= -.19020678E+04 E0= -.19020533E+04 EK= 0.11628E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190301694768E+04 -0.94918E+00 -0.65200E-04 2854 0.562E-01 0.689E-02
DAV: 2 -0.190301729672E+04 -0.34904E-03 -0.43870E-03 1928 0.664E-02 0.990E-02
DAV: 3 -0.190301718144E+04 0.11528E-03 -0.40528E-04 2000 0.266E-02 0.649E-02
DAV: 4 -0.190301715944E+04 0.21994E-04 -0.11781E-04 1840 0.122E-02 0.378E-02
DAV: 5 -0.190301715433E+04 0.51105E-05 -0.13967E-05 1040 0.477E-03
126 T= 2825. E= -.17857907E+04 F= -.19030172E+04 E0= -.19030023E+04 EK= 0.11723E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190396366938E+04 -0.94651E+00 -0.96589E-04 2846 0.563E-01 0.127E-01
DAV: 2 -0.190396453219E+04 -0.86282E-03 -0.86545E-03 1912 0.103E-01 0.254E-01
DAV: 3 -0.190396406012E+04 0.47207E-03 -0.22778E-03 2024 0.523E-02 0.168E-01
DAV: 4 -0.190396388230E+04 0.17782E-03 -0.48327E-04 1960 0.268E-02 0.696E-02
DAV: 5 -0.190396384841E+04 0.33889E-04 -0.13862E-04 1920 0.140E-02 0.336E-02
DAV: 6 -0.190396383984E+04 0.85653E-05 -0.30812E-05 1456 0.665E-03
127 T= 2848. E= -.17857906E+04 F= -.19039638E+04 E0= -.19039478E+04 EK= 0.11817E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190490834575E+04 -0.94450E+00 -0.10187E-03 2878 0.571E-01 0.132E-01
DAV: 2 -0.190490901585E+04 -0.67011E-03 -0.84397E-03 1904 0.102E-01 0.242E-01
DAV: 3 -0.190490860963E+04 0.40623E-03 -0.22422E-03 2016 0.538E-02 0.177E-01
DAV: 4 -0.190490839348E+04 0.21615E-03 -0.47873E-04 1976 0.285E-02 0.824E-02
DAV: 5 -0.190490833185E+04 0.61628E-04 -0.16653E-04 1936 0.154E-02 0.400E-02
DAV: 6 -0.190490829260E+04 0.39254E-04 -0.42061E-05 1704 0.970E-03 0.338E-02
DAV: 7 -0.190490820184E+04 0.90754E-04 -0.58988E-05 1768 0.166E-02 0.264E-02
DAV: 8 -0.190490804822E+04 0.15362E-03 -0.21014E-04 2304 0.319E-02 0.218E-02
DAV: 9 -0.190490787941E+04 0.16881E-03 -0.49848E-04 2240 0.526E-02 0.216E-02
DAV: 10 -0.190490790772E+04 -0.28312E-04 -0.43233E-04 1816 0.207E-02 0.337E-02
DAV: 11 -0.190490789239E+04 0.15331E-04 -0.23540E-05 1360 0.888E-03 0.236E-02
DAV: 12 -0.190490788423E+04 0.81559E-05 -0.43096E-05 1736 0.128E-02
128 T= 2871. E= -.17857898E+04 F= -.19049079E+04 E0= -.19048871E+04 EK= 0.11912E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190585829538E+04 -0.95040E+00 -0.18606E-03 2830 0.671E-01 0.231E-01
DAV: 2 -0.190585425464E+04 0.40407E-02 -0.10374E-02 2272 0.131E-01 0.247E-01
DAV: 3 -0.190585458656E+04 -0.33193E-03 -0.65001E-03 1984 0.839E-02 0.432E-01
DAV: 4 -0.190585295121E+04 0.16353E-02 -0.20400E-03 2176 0.740E-02 0.204E-01
DAV: 5 -0.190585252666E+04 0.42455E-03 -0.12893E-03 2024 0.490E-02 0.118E-01
DAV: 6 -0.190585221763E+04 0.30903E-03 -0.75891E-04 2056 0.359E-02 0.707E-02
DAV: 7 -0.190585203146E+04 0.18617E-03 -0.68773E-04 2040 0.314E-02 0.551E-02
DAV: 8 -0.190585187786E+04 0.15360E-03 -0.36213E-04 2096 0.324E-02 0.381E-02
DAV: 9 -0.190585185035E+04 0.27506E-04 -0.17188E-04 1888 0.184E-02 0.295E-02
DAV: 10 -0.190585183076E+04 0.19588E-04 -0.28275E-05 1392 0.123E-02 0.198E-02
DAV: 11 -0.190585181552E+04 0.15242E-04 -0.51909E-05 1456 0.146E-02 0.181E-02
DAV: 12 -0.190585180794E+04 0.75796E-05 -0.38713E-05 1592 0.998E-03
129 T= 2894. E= -.17857897E+04 F= -.19058518E+04 E0= -.19058306E+04 EK= 0.12006E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190679666609E+04 -0.94485E+00 -0.75661E-04 1764 0.593E-01 0.636E-02
DAV: 2 -0.190679655304E+04 0.11305E-03 -0.20514E-03 1976 0.399E-02 0.123E-01
DAV: 3 -0.190679645674E+04 0.96305E-04 -0.42629E-04 1984 0.199E-02 0.667E-02
DAV: 4 -0.190679631437E+04 0.14237E-03 -0.11381E-04 1992 0.187E-02 0.501E-02
DAV: 5 -0.190679622944E+04 0.84932E-04 -0.11410E-04 1912 0.158E-02 0.410E-02
DAV: 6 -0.190679604551E+04 0.18393E-03 -0.28055E-04 2104 0.356E-02 0.396E-02
DAV: 7 -0.190679597754E+04 0.67967E-04 -0.38306E-04 1896 0.260E-02 0.286E-02
DAV: 8 -0.190679597603E+04 0.15166E-05 -0.12741E-04 1808 0.113E-02 0.238E-02
DAV: 9 -0.190679596485E+04 0.11173E-04 -0.12065E-05 1136 0.458E-03 0.162E-02
DAV: 10 -0.190679592385E+04 0.41002E-04 -0.10876E-04 2040 0.275E-02 0.107E-02
DAV: 11 -0.190679592858E+04 -0.47300E-05 -0.59889E-05 1712 0.655E-03
130 T= 2916. E= -.17857897E+04 F= -.19067959E+04 E0= -.19067745E+04 EK= 0.12101E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190774116804E+04 -0.94524E+00 -0.31384E-04 2180 0.571E-01 0.287E-02
DAV: 2 -0.190774127573E+04 -0.10769E-03 -0.98721E-04 1968 0.255E-02 0.729E-02
DAV: 3 -0.190774124111E+04 0.34617E-04 -0.95335E-05 1888 0.101E-02 0.284E-02
DAV: 4 -0.190774123087E+04 0.10245E-04 -0.15123E-05 1168 0.536E-03 0.167E-02
DAV: 5 -0.190774122432E+04 0.65454E-05 -0.19240E-05 1200 0.614E-03
131 T= 2939. E= -.17857897E+04 F= -.19077412E+04 E0= -.19077198E+04 EK= 0.12195E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190868849713E+04 -0.94727E+00 -0.31760E-04 1844 0.571E-01 0.376E-02
DAV: 2 -0.190868862678E+04 -0.12965E-03 -0.13303E-03 1952 0.300E-02 0.879E-02
DAV: 3 -0.190868854577E+04 0.81013E-04 -0.27482E-04 1976 0.164E-02 0.327E-02
DAV: 4 -0.190868854239E+04 0.33835E-05 -0.33520E-05 1352 0.689E-03
132 T= 2962. E= -.17857897E+04 F= -.19086885E+04 E0= -.19086668E+04 EK= 0.12290E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190963869429E+04 -0.95015E+00 -0.14877E-04 1670 0.573E-01 0.561E-02
DAV: 2 -0.190963902619E+04 -0.33190E-03 -0.17817E-03 1984 0.409E-02 0.167E-01
DAV: 3 -0.190963878319E+04 0.24300E-03 -0.59237E-04 2008 0.256E-02 0.650E-02
DAV: 4 -0.190963876920E+04 0.13987E-04 -0.10436E-04 1824 0.101E-02 0.327E-02
DAV: 5 -0.190963876110E+04 0.80971E-05 -0.23660E-05 1088 0.604E-03
133 T= 2985. E= -.17857896E+04 F= -.19096388E+04 E0= -.19096169E+04 EK= 0.12385E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191059259150E+04 -0.95382E+00 -0.22776E-04 1454 0.576E-01 0.806E-02
DAV: 2 -0.191059299123E+04 -0.39973E-03 -0.20202E-03 1928 0.490E-02 0.218E-01
DAV: 3 -0.191059266806E+04 0.32317E-03 -0.72396E-04 2006 0.292E-02 0.846E-02
DAV: 4 -0.191059263790E+04 0.30159E-04 -0.20587E-04 1936 0.154E-02 0.290E-02
DAV: 5 -0.191059263045E+04 0.74579E-05 -0.66616E-05 1704 0.904E-03
134 T= 3008. E= -.17857895E+04 F= -.19105926E+04 E0= -.19105707E+04 EK= 0.12480E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191155071518E+04 -0.95808E+00 -0.33609E-04 2262 0.577E-01 0.743E-02
DAV: 2 -0.191155108950E+04 -0.37432E-03 -0.26137E-03 2008 0.494E-02 0.184E-01
DAV: 3 -0.191155079203E+04 0.29747E-03 -0.95086E-04 2056 0.287E-02 0.744E-02
DAV: 4 -0.191155078542E+04 0.66160E-05 -0.16062E-04 1872 0.131E-02 0.450E-02
DAV: 5 -0.191155076699E+04 0.18430E-04 -0.55707E-05 1464 0.100E-02 0.202E-02
DAV: 6 -0.191155076512E+04 0.18684E-05 -0.50190E-05 1536 0.887E-03
135 T= 3031. E= -.17857895E+04 F= -.19115508E+04 E0= -.19115287E+04 EK= 0.12576E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191251353592E+04 -0.96277E+00 -0.30865E-04 2046 0.580E-01 0.492E-02
DAV: 2 -0.191251383641E+04 -0.30049E-03 -0.20035E-03 2040 0.407E-02 0.139E-01
DAV: 3 -0.191251361716E+04 0.21926E-03 -0.54937E-04 2056 0.237E-02 0.320E-02
DAV: 4 -0.191251362142E+04 -0.42640E-05 -0.49103E-05 1720 0.715E-03
136 T= 3054. E= -.17857895E+04 F= -.19125136E+04 E0= -.19124917E+04 EK= 0.12672E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191348145127E+04 -0.96783E+00 -0.38221E-04 2262 0.581E-01 0.594E-02
DAV: 2 -0.191348173907E+04 -0.28781E-03 -0.22945E-03 1944 0.474E-02 0.163E-01
DAV: 3 -0.191348155844E+04 0.18063E-03 -0.52841E-04 1984 0.230E-02 0.660E-02
DAV: 4 -0.191348153329E+04 0.25149E-04 -0.12343E-04 1824 0.124E-02 0.275E-02
DAV: 5 -0.191348152751E+04 0.57859E-05 -0.45521E-05 1264 0.712E-03
137 T= 3077. E= -.17857895E+04 F= -.19134815E+04 E0= -.19134597E+04 EK= 0.12769E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191445451882E+04 -0.97299E+00 -0.70313E-04 2518 0.583E-01 0.890E-02
DAV: 2 -0.191445508945E+04 -0.57062E-03 -0.41221E-03 1960 0.600E-02 0.251E-01
DAV: 3 -0.191445465406E+04 0.43539E-03 -0.14089E-03 1992 0.315E-02 0.110E-01
DAV: 4 -0.191445459789E+04 0.56171E-04 -0.24572E-04 1920 0.185E-02 0.453E-02
DAV: 5 -0.191445458129E+04 0.16594E-04 -0.71312E-05 1824 0.101E-02 0.167E-02
DAV: 6 -0.191445457932E+04 0.19753E-05 -0.27253E-05 1016 0.584E-03
138 T= 3101. E= -.17857895E+04 F= -.19144546E+04 E0= -.19144327E+04 EK= 0.12867E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191543256507E+04 -0.97798E+00 -0.90811E-04 2870 0.585E-01 0.713E-02
DAV: 2 -0.191543309101E+04 -0.52594E-03 -0.37220E-03 1952 0.548E-02 0.212E-01
DAV: 3 -0.191543276663E+04 0.32438E-03 -0.76937E-04 1990 0.270E-02 0.926E-02
DAV: 4 -0.191543272030E+04 0.46323E-04 -0.15453E-04 1888 0.144E-02 0.346E-02
DAV: 5 -0.191543271256E+04 0.77422E-05 -0.41229E-05 1472 0.768E-03
139 T= 3124. E= -.17857895E+04 F= -.19154327E+04 E0= -.19154109E+04 EK= 0.12964E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191641553078E+04 -0.98281E+00 -0.80815E-04 2742 0.588E-01 0.684E-02
DAV: 2 -0.191641571224E+04 -0.18146E-03 -0.33338E-03 1952 0.593E-02 0.607E-02
DAV: 3 -0.191641568064E+04 0.31605E-04 -0.47065E-04 1968 0.229E-02 0.515E-02
DAV: 4 -0.191641566067E+04 0.19969E-04 -0.85897E-05 1800 0.993E-03 0.290E-02
DAV: 5 -0.191641565720E+04 0.34670E-05 -0.24165E-05 1112 0.557E-03
140 T= 3148. E= -.17857895E+04 F= -.19164157E+04 E0= -.19163941E+04 EK= 0.13063E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191740284981E+04 -0.98719E+00 -0.82064E-04 2830 0.589E-01 0.896E-02
DAV: 2 -0.191740317029E+04 -0.32048E-03 -0.47109E-03 1968 0.702E-02 0.136E-01
DAV: 3 -0.191740299436E+04 0.17593E-03 -0.15503E-03 2008 0.385E-02 0.812E-02
DAV: 4 -0.191740295728E+04 0.37075E-04 -0.22071E-04 1960 0.181E-02 0.666E-02
DAV: 5 -0.191740292839E+04 0.28891E-04 -0.75668E-05 1832 0.947E-03 0.185E-02
DAV: 6 -0.191740292686E+04 0.15345E-05 -0.22573E-05 1048 0.537E-03
141 T= 3172. E= -.17857895E+04 F= -.19174029E+04 E0= -.19173815E+04 EK= 0.13161E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191839374041E+04 -0.99081E+00 -0.68410E-04 2668 0.592E-01 0.681E-02
DAV: 2 -0.191839405619E+04 -0.31578E-03 -0.36918E-03 1968 0.588E-02 0.119E-01
DAV: 3 -0.191839390364E+04 0.15255E-03 -0.86860E-04 2000 0.300E-02 0.513E-02
DAV: 4 -0.191839387884E+04 0.24796E-04 -0.11982E-04 1856 0.136E-02 0.257E-02
DAV: 5 -0.191839387708E+04 0.17611E-05 -0.26816E-05 1168 0.598E-03
142 T= 3196. E= -.17857895E+04 F= -.19183939E+04 E0= -.19183727E+04 EK= 0.13260E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191938757166E+04 -0.99369E+00 -0.68423E-04 2748 0.594E-01 0.634E-02
DAV: 2 -0.191938785036E+04 -0.27870E-03 -0.29828E-03 1968 0.553E-02 0.145E-01
DAV: 3 -0.191938774073E+04 0.10963E-03 -0.60800E-04 2008 0.258E-02 0.910E-02
DAV: 4 -0.191938767926E+04 0.61465E-04 -0.15612E-04 1880 0.142E-02 0.299E-02
DAV: 5 -0.191938767499E+04 0.42699E-05 -0.47096E-05 1344 0.729E-03
143 T= 3220. E= -.17857896E+04 F= -.19193877E+04 E0= -.19193668E+04 EK= 0.13360E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192038319625E+04 -0.99552E+00 -0.10100E-03 2740 0.597E-01 0.871E-02
DAV: 2 -0.192038375024E+04 -0.55399E-03 -0.41175E-03 1960 0.632E-02 0.234E-01
DAV: 3 -0.192038338481E+04 0.36542E-03 -0.12177E-03 2000 0.321E-02 0.117E-01
DAV: 4 -0.192038331839E+04 0.66424E-04 -0.23475E-04 1936 0.182E-02 0.480E-02
DAV: 5 -0.192038329872E+04 0.19671E-04 -0.71618E-05 1800 0.100E-02 0.191E-02
DAV: 6 -0.192038329632E+04 0.24001E-05 -0.21737E-05 1008 0.548E-03
144 T= 3244. E= -.17857896E+04 F= -.19203833E+04 E0= -.19203626E+04 EK= 0.13459E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192137945536E+04 -0.99616E+00 -0.97995E-04 2894 0.598E-01 0.759E-02
DAV: 2 -0.192137993184E+04 -0.47648E-03 -0.38867E-03 1960 0.607E-02 0.183E-01
DAV: 3 -0.192137967396E+04 0.25788E-03 -0.75286E-04 1984 0.294E-02 0.949E-02
DAV: 4 -0.192137963157E+04 0.42389E-04 -0.16213E-04 1904 0.147E-02 0.452E-02
DAV: 5 -0.192137961607E+04 0.15506E-04 -0.47385E-05 1432 0.839E-03 0.221E-02
DAV: 6 -0.192137961314E+04 0.29321E-05 -0.15837E-05 968 0.501E-03
145 T= 3268. E= -.17857897E+04 F= -.19213796E+04 E0= -.19213593E+04 EK= 0.13559E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192237519413E+04 -0.99558E+00 -0.70014E-04 2838 0.602E-01 0.564E-02
DAV: 2 -0.192237549418E+04 -0.30005E-03 -0.34165E-03 1928 0.577E-02 0.944E-02
DAV: 3 -0.192237542023E+04 0.73953E-04 -0.45202E-04 1982 0.246E-02 0.736E-02
DAV: 4 -0.192237538037E+04 0.39864E-04 -0.10123E-04 1872 0.121E-02 0.396E-02
DAV: 5 -0.192237537311E+04 0.72614E-05 -0.23779E-05 1144 0.579E-03
146 T= 3292. E= -.17857898E+04 F= -.19223754E+04 E0= -.19223554E+04 EK= 0.13659E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192336892248E+04 -0.99354E+00 -0.85061E-04 2886 0.603E-01 0.721E-02
DAV: 2 -0.192336934021E+04 -0.41773E-03 -0.49876E-03 1920 0.693E-02 0.125E-01
DAV: 3 -0.192336929523E+04 0.44979E-04 -0.62115E-04 1976 0.288E-02 0.128E-01
DAV: 4 -0.192336917097E+04 0.12426E-03 -0.17277E-04 1912 0.168E-02 0.378E-02
DAV: 5 -0.192336917043E+04 0.54177E-06 -0.42623E-05 1504 0.756E-03
147 T= 3316. E= -.17857899E+04 F= -.19233692E+04 E0= -.19233495E+04 EK= 0.13758E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192435933738E+04 -0.99017E+00 -0.11489E-03 2918 0.606E-01 0.105E-01
DAV: 2 -0.192435975646E+04 -0.41909E-03 -0.68445E-03 1912 0.872E-02 0.138E-01
DAV: 3 -0.192435985233E+04 -0.95866E-04 -0.11001E-03 2000 0.371E-02 0.197E-01
DAV: 4 -0.192435955625E+04 0.29608E-03 -0.33809E-04 1976 0.224E-02 0.359E-02
DAV: 5 -0.192435956756E+04 -0.11311E-04 -0.85147E-05 1792 0.103E-02 0.220E-02
DAV: 6 -0.192435956265E+04 0.49025E-05 -0.15807E-05 1016 0.589E-03
148 T= 3340. E= -.17857899E+04 F= -.19243596E+04 E0= -.19243404E+04 EK= 0.13857E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192534494102E+04 -0.98537E+00 -0.77865E-04 2892 0.608E-01 0.965E-02
DAV: 2 -0.192534516877E+04 -0.22775E-03 -0.50828E-03 1920 0.785E-02 0.816E-02
DAV: 3 -0.192534525901E+04 -0.90242E-04 -0.75320E-04 2024 0.334E-02 0.150E-01
DAV: 4 -0.192534508364E+04 0.17537E-03 -0.22563E-04 1952 0.173E-02 0.350E-02
DAV: 5 -0.192534508597E+04 -0.23254E-05 -0.52549E-05 1648 0.802E-03
149 T= 3363. E= -.17857900E+04 F= -.19253451E+04 E0= -.19253263E+04 EK= 0.13956E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192632404947E+04 -0.97897E+00 -0.54586E-04 2726 0.610E-01 0.761E-02
DAV: 2 -0.192632423341E+04 -0.18394E-03 -0.36357E-03 1920 0.627E-02 0.584E-02
DAV: 3 -0.192632423575E+04 -0.23434E-05 -0.36703E-04 2158 0.249E-02 0.852E-02
DAV: 4 -0.192632418118E+04 0.54577E-04 -0.10514E-04 1848 0.112E-02 0.245E-02
DAV: 5 -0.192632418025E+04 0.92509E-06 -0.21274E-05 1134 0.574E-03
150 T= 3387. E= -.17857901E+04 F= -.19263242E+04 E0= -.19263060E+04 EK= 0.14053E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192729517441E+04 -0.97099E+00 -0.63269E-04 2686 0.612E-01 0.707E-02
DAV: 2 -0.192729542369E+04 -0.24927E-03 -0.35814E-03 1928 0.608E-02 0.820E-02
DAV: 3 -0.192729539624E+04 0.27447E-04 -0.39115E-04 2080 0.242E-02 0.894E-02
DAV: 4 -0.192729534177E+04 0.54470E-04 -0.11008E-04 1928 0.121E-02 0.347E-02
DAV: 5 -0.192729533611E+04 0.56596E-05 -0.21899E-05 1144 0.632E-03
151 T= 3410. E= -.17857902E+04 F= -.19272953E+04 E0= -.19272776E+04 EK= 0.14151E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192825693622E+04 -0.96159E+00 -0.70126E-04 2838 0.614E-01 0.801E-02
DAV: 2 -0.192825713832E+04 -0.20209E-03 -0.37208E-03 1936 0.657E-02 0.786E-02
DAV: 3 -0.192825713585E+04 0.24644E-05 -0.56933E-04 1976 0.265E-02 0.108E-01
DAV: 4 -0.192825705607E+04 0.79783E-04 -0.12845E-04 1888 0.127E-02 0.353E-02
DAV: 5 -0.192825705003E+04 0.60374E-05 -0.25812E-05 1176 0.707E-03
152 T= 3434. E= -.17857902E+04 F= -.19282571E+04 E0= -.19282397E+04 EK= 0.14247E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192920775135E+04 -0.95070E+00 -0.55024E-04 2702 0.615E-01 0.939E-02
DAV: 2 -0.192920802973E+04 -0.27838E-03 -0.46098E-03 1952 0.723E-02 0.127E-01
DAV: 3 -0.192920792010E+04 0.10963E-03 -0.11347E-03 2014 0.352E-02 0.976E-02
DAV: 4 -0.192920786112E+04 0.58979E-04 -0.18470E-04 1944 0.166E-02 0.578E-02
DAV: 5 -0.192920783815E+04 0.22968E-04 -0.67050E-05 1712 0.941E-03 0.187E-02
DAV: 6 -0.192920783552E+04 0.26300E-05 -0.14645E-05 1016 0.554E-03
153 T= 3456. E= -.17857904E+04 F= -.19292078E+04 E0= -.19291911E+04 EK= 0.14342E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193014610650E+04 -0.93827E+00 -0.97177E-04 2840 0.618E-01 0.808E-02
DAV: 2 -0.193014641166E+04 -0.30516E-03 -0.40110E-03 1944 0.646E-02 0.104E-01
DAV: 3 -0.193014631744E+04 0.94215E-04 -0.86804E-04 2030 0.308E-02 0.660E-02
DAV: 4 -0.193014627192E+04 0.45522E-04 -0.13361E-04 1904 0.145E-02 0.230E-02
DAV: 5 -0.193014627419E+04 -0.22683E-05 -0.37758E-05 1422 0.702E-03
154 T= 3479. E= -.17857904E+04 F= -.19301463E+04 E0= -.19301301E+04 EK= 0.14436E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193107088055E+04 -0.92461E+00 -0.80717E-04 2744 0.620E-01 0.619E-02
DAV: 2 -0.193107124374E+04 -0.36319E-03 -0.29595E-03 1976 0.535E-02 0.166E-01
DAV: 3 -0.193107108910E+04 0.15465E-03 -0.34077E-04 2000 0.233E-02 0.881E-02
DAV: 4 -0.193107103270E+04 0.56399E-04 -0.14340E-04 1848 0.141E-02 0.270E-02
DAV: 5 -0.193107102878E+04 0.39111E-05 -0.40500E-05 1448 0.717E-03
155 T= 3501. E= -.17857904E+04 F= -.19310710E+04 E0= -.19310552E+04 EK= 0.14528E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193198068169E+04 -0.90965E+00 -0.96525E-04 2806 0.621E-01 0.778E-02
DAV: 2 -0.193198134419E+04 -0.66250E-03 -0.34072E-03 1976 0.624E-02 0.222E-01
DAV: 3 -0.193198090251E+04 0.44167E-03 -0.77170E-04 2062 0.358E-02 0.120E-01
DAV: 4 -0.193198081860E+04 0.83912E-04 -0.18496E-04 1976 0.154E-02 0.430E-02
DAV: 5 -0.193198080471E+04 0.13886E-04 -0.51768E-05 1672 0.887E-03 0.215E-02
DAV: 6 -0.193198080126E+04 0.34527E-05 -0.13488E-05 968 0.501E-03
156 T= 3523. E= -.17857904E+04 F= -.19319808E+04 E0= -.19319655E+04 EK= 0.14619E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193287421170E+04 -0.89341E+00 -0.10332E-03 2836 0.625E-01 0.742E-02
DAV: 2 -0.193287475531E+04 -0.54360E-03 -0.40641E-03 1944 0.656E-02 0.165E-01
DAV: 3 -0.193287447987E+04 0.27543E-03 -0.71265E-04 2008 0.335E-02 0.106E-01
DAV: 4 -0.193287441372E+04 0.66153E-04 -0.15219E-04 1944 0.147E-02 0.466E-02
DAV: 5 -0.193287440020E+04 0.13519E-04 -0.44926E-05 1616 0.821E-03 0.228E-02
DAV: 6 -0.193287439714E+04 0.30606E-05 -0.11498E-05 968 0.467E-03
157 T= 3545. E= -.17857905E+04 F= -.19328744E+04 E0= -.19328593E+04 EK= 0.14708E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193375055153E+04 -0.87615E+00 -0.10609E-03 2862 0.625E-01 0.722E-02
DAV: 2 -0.193375084858E+04 -0.29704E-03 -0.41444E-03 1928 0.661E-02 0.911E-02
DAV: 3 -0.193375079687E+04 0.51703E-04 -0.46119E-04 2022 0.268E-02 0.800E-02
DAV: 4 -0.193375074890E+04 0.47972E-04 -0.12120E-04 1928 0.132E-02 0.381E-02
DAV: 5 -0.193375074179E+04 0.71051E-05 -0.24042E-05 1192 0.638E-03
158 T= 3566. E= -.17857906E+04 F= -.19337507E+04 E0= -.19337358E+04 EK= 0.14796E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193460863566E+04 -0.85789E+00 -0.10064E-03 2862 0.626E-01 0.816E-02
DAV: 2 -0.193460888060E+04 -0.24494E-03 -0.46035E-03 1920 0.701E-02 0.613E-02
DAV: 3 -0.193460882739E+04 0.53208E-04 -0.30672E-04 2136 0.267E-02 0.477E-02
DAV: 4 -0.193460881633E+04 0.11057E-04 -0.75757E-05 1776 0.988E-03 0.268E-02
DAV: 5 -0.193460881214E+04 0.41953E-05 -0.11497E-05 1056 0.521E-03
159 T= 3587. E= -.17857906E+04 F= -.19346088E+04 E0= -.19345936E+04 EK= 0.14882E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193544754884E+04 -0.83873E+00 -0.10233E-03 2822 0.628E-01 0.865E-02
DAV: 2 -0.193544782357E+04 -0.27473E-03 -0.48884E-03 1928 0.738E-02 0.851E-02
DAV: 3 -0.193544782050E+04 0.30731E-05 -0.69791E-04 1998 0.322E-02 0.114E-01
DAV: 4 -0.193544771950E+04 0.10100E-03 -0.15250E-04 1976 0.159E-02 0.417E-02
DAV: 5 -0.193544771418E+04 0.53156E-05 -0.45596E-05 1552 0.781E-03
160 T= 3607. E= -.17857906E+04 F= -.19354477E+04 E0= -.19354316E+04 EK= 0.14966E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193626666115E+04 -0.81894E+00 -0.10242E-03 2798 0.630E-01 0.958E-02
DAV: 2 -0.193626684865E+04 -0.18749E-03 -0.46714E-03 1928 0.764E-02 0.758E-02
DAV: 3 -0.193626689557E+04 -0.46928E-04 -0.66465E-04 1992 0.323E-02 0.128E-01
DAV: 4 -0.193626677116E+04 0.12441E-03 -0.14137E-04 1960 0.155E-02 0.375E-02
DAV: 5 -0.193626676745E+04 0.37116E-05 -0.56412E-05 1656 0.866E-03
161 T= 3627. E= -.17857906E+04 F= -.19362668E+04 E0= -.19362494E+04 EK= 0.15048E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193706548713E+04 -0.79872E+00 -0.67858E-04 2662 0.632E-01 0.995E-02
DAV: 2 -0.193706569983E+04 -0.21269E-03 -0.40153E-03 1944 0.740E-02 0.117E-01
DAV: 3 -0.193706562261E+04 0.77218E-04 -0.74949E-04 2040 0.351E-02 0.105E-01
DAV: 4 -0.193706554639E+04 0.76215E-04 -0.21339E-04 2008 0.173E-02 0.630E-02
DAV: 5 -0.193706552129E+04 0.25100E-04 -0.50457E-05 1712 0.985E-03 0.220E-02
DAV: 6 -0.193706551384E+04 0.74589E-05 -0.29732E-05 1168 0.749E-03
162 T= 3646. E= -.17857906E+04 F= -.19370655E+04 E0= -.19370472E+04 EK= 0.15127E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193784358148E+04 -0.77806E+00 -0.60317E-04 2676 0.634E-01 0.666E-02
DAV: 2 -0.193784389627E+04 -0.31480E-03 -0.33862E-03 1944 0.596E-02 0.108E-01
DAV: 3 -0.193784376881E+04 0.12746E-03 -0.53852E-04 2040 0.269E-02 0.554E-02
DAV: 4 -0.193784374166E+04 0.27150E-04 -0.11348E-04 1904 0.128E-02 0.287E-02
DAV: 5 -0.193784374001E+04 0.16579E-05 -0.19890E-05 1144 0.588E-03
163 T= 3665. E= -.17857905E+04 F= -.19378437E+04 E0= -.19378243E+04 EK= 0.15205E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193860133855E+04 -0.75760E+00 -0.59965E-04 2788 0.638E-01 0.591E-02
DAV: 2 -0.193860157990E+04 -0.24135E-03 -0.31982E-03 1928 0.571E-02 0.896E-02
DAV: 3 -0.193860155856E+04 0.21337E-04 -0.25198E-04 2038 0.221E-02 0.989E-02
DAV: 4 -0.193860149099E+04 0.67574E-04 -0.77368E-05 1880 0.120E-02 0.323E-02
DAV: 5 -0.193860148658E+04 0.44113E-05 -0.25809E-05 1192 0.659E-03
164 T= 3683. E= -.17857905E+04 F= -.19386015E+04 E0= -.19385802E+04 EK= 0.15281E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193933886723E+04 -0.73738E+00 -0.78378E-04 2840 0.644E-01 0.723E-02
DAV: 2 -0.193933919301E+04 -0.32578E-03 -0.49942E-03 1920 0.706E-02 0.819E-02
DAV: 3 -0.193933910215E+04 0.90857E-04 -0.46489E-04 1992 0.293E-02 0.672E-02
DAV: 4 -0.193933907892E+04 0.23233E-04 -0.10294E-04 1848 0.118E-02 0.372E-02
DAV: 5 -0.193933907139E+04 0.75298E-05 -0.16054E-05 1080 0.550E-03
165 T= 3701. E= -.17857905E+04 F= -.19393391E+04 E0= -.19393162E+04 EK= 0.15355E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194005709147E+04 -0.71801E+00 -0.65886E-04 2846 0.644E-01 0.113E-01
DAV: 2 -0.194005742187E+04 -0.33040E-03 -0.70477E-03 1920 0.948E-02 0.119E-01
DAV: 3 -0.194005733812E+04 0.83744E-04 -0.85764E-04 2014 0.424E-02 0.129E-01
DAV: 4 -0.194005719374E+04 0.14438E-03 -0.27149E-04 1968 0.218E-02 0.646E-02
DAV: 5 -0.194005716788E+04 0.25861E-04 -0.88989E-05 1896 0.115E-02 0.349E-02
DAV: 6 -0.194005713444E+04 0.33435E-04 -0.45897E-05 1696 0.117E-02 0.215E-02
DAV: 7 -0.194005708733E+04 0.47114E-04 -0.97936E-05 2000 0.208E-02 0.152E-02
DAV: 8 -0.194005706625E+04 0.21079E-04 -0.10415E-04 2152 0.212E-02 0.232E-02
DAV: 9 -0.194005706138E+04 0.48687E-05 -0.68616E-05 1816 0.108E-02
166 T= 3718. E= -.17857904E+04 F= -.19400571E+04 E0= -.19400340E+04 EK= 0.15427E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194075643735E+04 -0.69937E+00 -0.41134E-04 2382 0.642E-01 0.727E-02
DAV: 2 -0.194075662708E+04 -0.18973E-03 -0.21302E-03 1976 0.470E-02 0.104E-01
DAV: 3 -0.194075652407E+04 0.10301E-03 -0.42510E-04 2014 0.257E-02 0.783E-02
DAV: 4 -0.194075649417E+04 0.29899E-04 -0.98927E-05 1912 0.143E-02 0.641E-02
DAV: 5 -0.194075646290E+04 0.31268E-04 -0.86929E-05 1840 0.123E-02 0.324E-02
DAV: 6 -0.194075644205E+04 0.20847E-04 -0.59015E-05 1792 0.130E-02 0.164E-02
DAV: 7 -0.194075643318E+04 0.88758E-05 -0.38555E-05 1536 0.962E-03
167 T= 3735. E= -.17857903E+04 F= -.19407564E+04 E0= -.19407337E+04 EK= 0.15497E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194143845480E+04 -0.68201E+00 -0.17509E-04 1990 0.641E-01 0.719E-02
DAV: 2 -0.194143847911E+04 -0.24303E-04 -0.12866E-03 1960 0.386E-02 0.561E-02
DAV: 3 -0.194143849630E+04 -0.17194E-04 -0.22800E-04 1958 0.184E-02 0.804E-02
DAV: 4 -0.194143845107E+04 0.45234E-04 -0.70047E-05 1544 0.111E-02 0.545E-02
DAV: 5 -0.194143843304E+04 0.18030E-04 -0.36338E-05 1318 0.888E-03 0.305E-02
DAV: 6 -0.194143840140E+04 0.31640E-04 -0.42635E-05 1400 0.135E-02 0.107E-02
DAV: 7 -0.194143838795E+04 0.13443E-04 -0.32451E-05 1568 0.102E-02 0.974E-03
DAV: 8 -0.194143838243E+04 0.55199E-05 -0.19035E-05 1336 0.671E-03
168 T= 3751. E= -.17857902E+04 F= -.19414384E+04 E0= -.19414156E+04 EK= 0.15565E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194210441539E+04 -0.66603E+00 -0.29433E-04 2302 0.643E-01 0.431E-02
DAV: 2 -0.194210447516E+04 -0.59766E-04 -0.10684E-03 1992 0.293E-02 0.288E-02
DAV: 3 -0.194210449871E+04 -0.23557E-04 -0.89584E-05 1910 0.127E-02 0.672E-02
DAV: 4 -0.194210446307E+04 0.35643E-04 -0.24389E-05 1296 0.719E-03 0.221E-02
DAV: 5 -0.194210446111E+04 0.19619E-05 -0.16342E-05 1198 0.626E-03
169 T= 3767. E= -.17857901E+04 F= -.19421045E+04 E0= -.19420812E+04 EK= 0.15631E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194275648018E+04 -0.65202E+00 -0.47475E-04 2518 0.642E-01 0.255E-02
DAV: 2 -0.194275656615E+04 -0.85967E-04 -0.13114E-03 1960 0.298E-02 0.676E-02
DAV: 3 -0.194275653974E+04 0.26409E-04 -0.11816E-04 1926 0.131E-02 0.444E-02
DAV: 4 -0.194275652731E+04 0.12431E-04 -0.23249E-05 1304 0.713E-03 0.259E-02
DAV: 5 -0.194275651530E+04 0.12013E-04 -0.11298E-05 1126 0.538E-03 0.181E-02
DAV: 6 -0.194275648618E+04 0.29119E-04 -0.23795E-05 1456 0.151E-02 0.997E-03
DAV: 7 -0.194275647646E+04 0.97203E-05 -0.39764E-05 1694 0.117E-02
170 T= 3783. E= -.17857900E+04 F= -.19427565E+04 E0= -.19427337E+04 EK= 0.15697E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194339653092E+04 -0.64004E+00 -0.60678E-04 2526 0.644E-01 0.429E-02
DAV: 2 -0.194339666456E+04 -0.13364E-03 -0.12654E-03 2000 0.299E-02 0.842E-02
DAV: 3 -0.194339662003E+04 0.44528E-04 -0.17484E-04 1958 0.141E-02 0.558E-02
DAV: 4 -0.194339660753E+04 0.12496E-04 -0.38062E-05 1440 0.991E-03 0.332E-02
DAV: 5 -0.194339658840E+04 0.19137E-04 -0.28703E-05 1256 0.926E-03 0.112E-02
DAV: 6 -0.194339657829E+04 0.10105E-04 -0.15251E-05 1312 0.930E-03 0.825E-03
DAV: 7 -0.194339657395E+04 0.43454E-05 -0.15266E-05 1248 0.643E-03
171 T= 3798. E= -.17857899E+04 F= -.19433966E+04 E0= -.19433742E+04 EK= 0.15761E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194402697618E+04 -0.63040E+00 -0.12100E-04 1934 0.643E-01 0.305E-02
DAV: 2 -0.194402707823E+04 -0.10205E-03 -0.10455E-03 1968 0.264E-02 0.531E-02
DAV: 3 -0.194402706783E+04 0.10400E-04 -0.49684E-05 1758 0.925E-03 0.396E-02
DAV: 4 -0.194402706204E+04 0.57912E-05 -0.10259E-05 1184 0.463E-03
172 T= 3814. E= -.17857897E+04 F= -.19440271E+04 E0= -.19440050E+04 EK= 0.15824E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194465034883E+04 -0.62328E+00 -0.13485E-04 1912 0.644E-01 0.639E-02
DAV: 2 -0.194465051680E+04 -0.16797E-03 -0.10706E-03 2000 0.334E-02 0.902E-02
DAV: 3 -0.194465043413E+04 0.82675E-04 -0.23640E-04 2016 0.213E-02 0.606E-02
DAV: 4 -0.194465044450E+04 -0.10372E-04 -0.58521E-05 1704 0.101E-02 0.740E-02
DAV: 5 -0.194465040364E+04 0.40864E-04 -0.23242E-05 1328 0.797E-03 0.111E-02
DAV: 6 -0.194465040440E+04 -0.76530E-06 -0.10277E-05 1096 0.495E-03
173 T= 3829. E= -.17857895E+04 F= -.19446504E+04 E0= -.19446285E+04 EK= 0.15886E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194526908223E+04 -0.61868E+00 -0.13268E-04 1672 0.644E-01 0.603E-02
DAV: 2 -0.194526924108E+04 -0.15885E-03 -0.95602E-04 1968 0.295E-02 0.923E-02
DAV: 3 -0.194526915415E+04 0.86924E-04 -0.17989E-04 1936 0.194E-02 0.560E-02
DAV: 4 -0.194526916948E+04 -0.15327E-04 -0.49573E-05 1648 0.938E-03 0.712E-02
DAV: 5 -0.194526913279E+04 0.36689E-04 -0.26833E-05 1336 0.813E-03 0.117E-02
DAV: 6 -0.194526913459E+04 -0.17946E-05 -0.99824E-06 1072 0.504E-03
174 T= 3844. E= -.17857893E+04 F= -.19452691E+04 E0= -.19452474E+04 EK= 0.15948E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194588567015E+04 -0.61654E+00 -0.18303E-04 2020 0.646E-01 0.221E-02
DAV: 2 -0.194588575411E+04 -0.83963E-04 -0.80897E-04 1968 0.208E-02 0.359E-02
DAV: 3 -0.194588574277E+04 0.11342E-04 -0.38125E-05 1624 0.869E-03 0.254E-02
DAV: 4 -0.194588574045E+04 0.23185E-05 -0.76780E-06 1168 0.384E-03
175 T= 3858. E= -.17857892E+04 F= -.19458857E+04 E0= -.19458643E+04 EK= 0.16010E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194650241225E+04 -0.61667E+00 -0.22744E-04 2110 0.646E-01 0.247E-02
DAV: 2 -0.194650250269E+04 -0.90443E-04 -0.80800E-04 1992 0.203E-02 0.491E-02
DAV: 3 -0.194650249189E+04 0.10806E-04 -0.33182E-05 1616 0.768E-03 0.318E-02
DAV: 4 -0.194650248674E+04 0.51513E-05 -0.10357E-05 1152 0.513E-03
176 T= 3873. E= -.17857890E+04 F= -.19465025E+04 E0= -.19464815E+04 EK= 0.16071E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194712126555E+04 -0.61877E+00 -0.20051E-04 2062 0.647E-01 0.315E-02
DAV: 2 -0.194712138750E+04 -0.12195E-03 -0.10570E-03 1976 0.263E-02 0.591E-02
DAV: 3 -0.194712136625E+04 0.21251E-04 -0.61001E-05 1848 0.111E-02 0.431E-02
DAV: 4 -0.194712135799E+04 0.82626E-05 -0.16977E-05 1200 0.588E-03
177 T= 3888. E= -.17857889E+04 F= -.19471214E+04 E0= -.19471004E+04 EK= 0.16133E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194774382568E+04 -0.62246E+00 -0.14488E-04 1878 0.648E-01 0.407E-02
DAV: 2 -0.194774397700E+04 -0.15132E-03 -0.12633E-03 1960 0.358E-02 0.917E-02
DAV: 3 -0.194774392411E+04 0.52893E-04 -0.13008E-04 1960 0.158E-02 0.631E-02
DAV: 4 -0.194774390247E+04 0.21636E-04 -0.33384E-05 1504 0.884E-03 0.262E-02
DAV: 5 -0.194774389688E+04 0.55895E-05 -0.15283E-05 1088 0.527E-03
178 T= 3903. E= -.17857888E+04 F= -.19477439E+04 E0= -.19477233E+04 EK= 0.16196E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194837098113E+04 -0.62708E+00 -0.38625E-04 2414 0.649E-01 0.413E-02
DAV: 2 -0.194837122457E+04 -0.24343E-03 -0.19579E-03 1968 0.399E-02 0.117E-01
DAV: 3 -0.194837113698E+04 0.87590E-04 -0.14140E-04 1968 0.158E-02 0.634E-02
DAV: 4 -0.194837111176E+04 0.25218E-04 -0.38668E-05 1632 0.101E-02 0.216E-02
DAV: 5 -0.194837110987E+04 0.18918E-05 -0.13921E-05 1048 0.496E-03
179 T= 3918. E= -.17857888E+04 F= -.19483711E+04 E0= -.19483507E+04 EK= 0.16258E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194900328055E+04 -0.63217E+00 -0.29761E-04 2502 0.650E-01 0.388E-02
DAV: 2 -0.194900348752E+04 -0.20697E-03 -0.23514E-03 1928 0.441E-02 0.679E-02
DAV: 3 -0.194900347411E+04 0.13410E-04 -0.11008E-04 1992 0.151E-02 0.756E-02
DAV: 4 -0.194900343555E+04 0.38554E-04 -0.36991E-05 1552 0.856E-03 0.275E-02
DAV: 5 -0.194900343160E+04 0.39578E-05 -0.17479E-05 1064 0.569E-03
180 T= 3934. E= -.17857888E+04 F= -.19490034E+04 E0= -.19489831E+04 EK= 0.16321E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194964054647E+04 -0.63711E+00 -0.36491E-04 2622 0.652E-01 0.664E-02
DAV: 2 -0.194964079200E+04 -0.24553E-03 -0.36466E-03 1904 0.613E-02 0.727E-02
DAV: 3 -0.194964074448E+04 0.47523E-04 -0.23290E-04 2014 0.224E-02 0.643E-02
DAV: 4 -0.194964071559E+04 0.28886E-04 -0.63897E-05 1856 0.107E-02 0.345E-02
DAV: 5 -0.194964071095E+04 0.46406E-05 -0.13163E-05 1072 0.490E-03
181 T= 3949. E= -.17857889E+04 F= -.19496407E+04 E0= -.19496206E+04 EK= 0.16385E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195028209235E+04 -0.64138E+00 -0.37606E-04 2790 0.653E-01 0.919E-02
DAV: 2 -0.195028229166E+04 -0.19931E-03 -0.44480E-03 1888 0.717E-02 0.798E-02
DAV: 3 -0.195028235079E+04 -0.59129E-04 -0.34852E-04 2080 0.272E-02 0.145E-01
DAV: 4 -0.195028220718E+04 0.14361E-03 -0.11531E-04 1944 0.145E-02 0.294E-02
DAV: 5 -0.195028221281E+04 -0.56383E-05 -0.28178E-05 1384 0.764E-03
182 T= 3964. E= -.17857890E+04 F= -.19502822E+04 E0= -.19502623E+04 EK= 0.16449E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195092657039E+04 -0.64436E+00 -0.28747E-04 2614 0.654E-01 0.887E-02
DAV: 2 -0.195092678474E+04 -0.21435E-03 -0.44025E-03 1896 0.721E-02 0.775E-02
DAV: 3 -0.195092686146E+04 -0.76716E-04 -0.34285E-04 2166 0.272E-02 0.153E-01
DAV: 4 -0.195092669879E+04 0.16267E-03 -0.12044E-04 1912 0.143E-02 0.237E-02
DAV: 5 -0.195092670659E+04 -0.77958E-05 -0.39937E-05 1584 0.810E-03
183 T= 3980. E= -.17857891E+04 F= -.19509267E+04 E0= -.19509068E+04 EK= 0.16514E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195157243634E+04 -0.64574E+00 -0.47070E-04 2758 0.655E-01 0.714E-02
DAV: 2 -0.195157263258E+04 -0.19624E-03 -0.32108E-03 1920 0.629E-02 0.666E-02
DAV: 3 -0.195157259940E+04 0.33181E-04 -0.21791E-04 2160 0.254E-02 0.531E-02
DAV: 4 -0.195157256728E+04 0.32119E-04 -0.85407E-05 1904 0.117E-02 0.200E-02
DAV: 5 -0.195157256800E+04 -0.71406E-06 -0.17086E-05 1096 0.518E-03
184 T= 3995. E= -.17857893E+04 F= -.19515726E+04 E0= -.19515527E+04 EK= 0.16578E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195221771826E+04 -0.64515E+00 -0.23264E-04 2246 0.656E-01 0.631E-02
DAV: 2 -0.195221792714E+04 -0.20888E-03 -0.24031E-03 1920 0.528E-02 0.116E-01
DAV: 3 -0.195221790367E+04 0.23472E-04 -0.23063E-04 2056 0.207E-02 0.115E-01
DAV: 4 -0.195221781517E+04 0.88499E-04 -0.88102E-05 1880 0.141E-02 0.284E-02
DAV: 5 -0.195221781300E+04 0.21723E-05 -0.27018E-05 1256 0.724E-03
185 T= 4011. E= -.17857895E+04 F= -.19522178E+04 E0= -.19521981E+04 EK= 0.16643E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195286016844E+04 -0.64235E+00 -0.22048E-04 2374 0.658E-01 0.530E-02
DAV: 2 -0.195286044987E+04 -0.28144E-03 -0.26749E-03 1920 0.520E-02 0.129E-01
DAV: 3 -0.195286037886E+04 0.71010E-04 -0.19706E-04 2054 0.190E-02 0.947E-02
DAV: 4 -0.195286031639E+04 0.62473E-04 -0.75664E-05 1792 0.132E-02 0.279E-02
DAV: 5 -0.195286031619E+04 0.20186E-06 -0.21319E-05 1136 0.589E-03
186 T= 4027. E= -.17857896E+04 F= -.19528603E+04 E0= -.19528405E+04 EK= 0.16707E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195349768506E+04 -0.63737E+00 -0.56540E-04 2894 0.661E-01 0.645E-02
DAV: 2 -0.195349798614E+04 -0.30108E-03 -0.41883E-03 1912 0.656E-02 0.788E-02
DAV: 3 -0.195349798628E+04 -0.13686E-06 -0.24746E-04 2096 0.238E-02 0.112E-01
DAV: 4 -0.195349790082E+04 0.85467E-04 -0.84023E-05 1864 0.116E-02 0.316E-02
DAV: 5 -0.195349789753E+04 0.32891E-05 -0.26495E-05 1376 0.677E-03
187 T= 4042. E= -.17857898E+04 F= -.19534979E+04 E0= -.19534782E+04 EK= 0.16771E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195412817242E+04 -0.63027E+00 -0.67418E-04 2886 0.661E-01 0.814E-02
DAV: 2 -0.195412846203E+04 -0.28961E-03 -0.49757E-03 1904 0.743E-02 0.675E-02
DAV: 3 -0.195412840559E+04 0.56439E-04 -0.27027E-04 2254 0.271E-02 0.614E-02
DAV: 4 -0.195412838843E+04 0.17160E-04 -0.65060E-05 1792 0.925E-03 0.287E-02
DAV: 5 -0.195412838313E+04 0.53011E-05 -0.98196E-06 1064 0.499E-03
188 T= 4057. E= -.17857900E+04 F= -.19541284E+04 E0= -.19541086E+04 EK= 0.16834E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195474954751E+04 -0.62116E+00 -0.58990E-04 2902 0.663E-01 0.954E-02
DAV: 2 -0.195474981560E+04 -0.26809E-03 -0.55268E-03 1904 0.812E-02 0.665E-02
DAV: 3 -0.195474975193E+04 0.63671E-04 -0.34490E-04 2248 0.289E-02 0.461E-02
DAV: 4 -0.195474974426E+04 0.76625E-05 -0.70194E-05 1872 0.101E-02
189 T= 4072. E= -.17857901E+04 F= -.19547497E+04 E0= -.19547301E+04 EK= 0.16896E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195536003718E+04 -0.61029E+00 -0.63915E-04 2804 0.665E-01 0.117E-01
DAV: 2 -0.195536043609E+04 -0.39891E-03 -0.53503E-03 1944 0.881E-02 0.184E-01
DAV: 3 -0.195536042260E+04 0.13497E-04 -0.95657E-04 2024 0.406E-02 0.215E-01
DAV: 4 -0.195536013338E+04 0.28922E-03 -0.27966E-04 1968 0.224E-02 0.643E-02
DAV: 5 -0.195536011260E+04 0.20781E-04 -0.77757E-05 1896 0.132E-02 0.166E-02
DAV: 6 -0.195536011026E+04 0.23374E-05 -0.36702E-05 1608 0.748E-03
190 T= 4087. E= -.17857902E+04 F= -.19553601E+04 E0= -.19553404E+04 EK= 0.16957E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195595774737E+04 -0.59763E+00 -0.30509E-04 2422 0.664E-01 0.830E-02
DAV: 2 -0.195595808310E+04 -0.33574E-03 -0.30474E-03 1952 0.630E-02 0.168E-01
DAV: 3 -0.195595795072E+04 0.13239E-03 -0.55110E-04 2032 0.303E-02 0.140E-01
DAV: 4 -0.195595784597E+04 0.10474E-03 -0.14501E-04 1912 0.167E-02 0.508E-02
DAV: 5 -0.195595782441E+04 0.21562E-04 -0.44236E-05 1592 0.101E-02 0.135E-02
DAV: 6 -0.195595782312E+04 0.12894E-05 -0.27864E-05 1312 0.686E-03
191 T= 4101. E= -.17857903E+04 F= -.19559578E+04 E0= -.19559381E+04 EK= 0.17017E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195654132368E+04 -0.58350E+00 -0.48937E-04 2678 0.666E-01 0.312E-02
DAV: 2 -0.195654149530E+04 -0.17161E-03 -0.16718E-03 2000 0.361E-02 0.646E-02
DAV: 3 -0.195654147303E+04 0.22262E-04 -0.85367E-05 1910 0.128E-02 0.550E-02
DAV: 4 -0.195654145351E+04 0.19522E-04 -0.26246E-05 1368 0.721E-03 0.190E-02
DAV: 5 -0.195654145220E+04 0.13107E-05 -0.82260E-06 1016 0.402E-03
192 T= 4115. E= -.17857904E+04 F= -.19565415E+04 E0= -.19565217E+04 EK= 0.17075E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195710966345E+04 -0.56821E+00 -0.56222E-04 2718 0.667E-01 0.271E-02
DAV: 2 -0.195710984045E+04 -0.17700E-03 -0.19708E-03 1968 0.372E-02 0.399E-02
DAV: 3 -0.195710982734E+04 0.13110E-04 -0.62583E-05 1872 0.116E-02 0.368E-02
DAV: 4 -0.195710982034E+04 0.70002E-05 -0.13804E-05 1152 0.486E-03
193 T= 4129. E= -.17857904E+04 F= -.19571098E+04 E0= -.19570901E+04 EK= 0.17132E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195766178935E+04 -0.55196E+00 -0.71873E-04 2774 0.668E-01 0.735E-02
DAV: 2 -0.195766201528E+04 -0.22593E-03 -0.32413E-03 1920 0.607E-02 0.876E-02
DAV: 3 -0.195766203430E+04 -0.19016E-04 -0.38008E-04 2014 0.273E-02 0.122E-01
DAV: 4 -0.195766192963E+04 0.10467E-03 -0.11432E-04 1880 0.138E-02 0.454E-02
DAV: 5 -0.195766191929E+04 0.10341E-04 -0.28511E-05 1296 0.817E-03 0.155E-02
DAV: 6 -0.195766191382E+04 0.54679E-05 -0.26978E-05 1376 0.809E-03
194 T= 4142. E= -.17857905E+04 F= -.19576619E+04 E0= -.19576422E+04 EK= 0.17187E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195819685132E+04 -0.53493E+00 -0.27984E-04 2388 0.668E-01 0.627E-02
DAV: 2 -0.195819705475E+04 -0.20343E-03 -0.25150E-03 1952 0.538E-02 0.837E-02
DAV: 3 -0.195819703586E+04 0.18889E-04 -0.28914E-04 2048 0.241E-02 0.952E-02
DAV: 4 -0.195819697390E+04 0.61960E-04 -0.87150E-05 1840 0.117E-02 0.401E-02
DAV: 5 -0.195819696446E+04 0.94463E-05 -0.20520E-05 1192 0.680E-03
195 T= 4155. E= -.17857906E+04 F= -.19581970E+04 E0= -.19581772E+04 EK= 0.17241E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195871418155E+04 -0.51721E+00 -0.37344E-04 2604 0.670E-01 0.453E-02
DAV: 2 -0.195871435473E+04 -0.17318E-03 -0.23120E-03 1936 0.478E-02 0.554E-02
DAV: 3 -0.195871433770E+04 0.17032E-04 -0.12254E-04 1992 0.166E-02 0.615E-02
DAV: 4 -0.195871431333E+04 0.24366E-04 -0.35625E-05 1552 0.780E-03 0.257E-02
DAV: 5 -0.195871431061E+04 0.27264E-05 -0.10951E-05 1056 0.452E-03
196 T= 4168. E= -.17857906E+04 F= -.19587143E+04 E0= -.19586945E+04 EK= 0.17292E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195921321024E+04 -0.49890E+00 -0.35479E-04 2732 0.671E-01 0.541E-02
DAV: 2 -0.195921346030E+04 -0.25006E-03 -0.31228E-03 1928 0.549E-02 0.839E-02
DAV: 3 -0.195921345648E+04 0.38173E-05 -0.18544E-04 2064 0.191E-02 0.107E-01
DAV: 4 -0.195921337568E+04 0.80795E-04 -0.72981E-05 1864 0.116E-02 0.296E-02
DAV: 5 -0.195921337375E+04 0.19350E-05 -0.29407E-05 1424 0.765E-03
197 T= 4180. E= -.17857907E+04 F= -.19592134E+04 E0= -.19591933E+04 EK= 0.17342E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195969352047E+04 -0.48014E+00 -0.51545E-04 2756 0.671E-01 0.696E-02
DAV: 2 -0.195969381391E+04 -0.29344E-03 -0.42957E-03 1912 0.675E-02 0.729E-02
DAV: 3 -0.195969377759E+04 0.36322E-04 -0.25323E-04 2264 0.247E-02 0.825E-02
DAV: 4 -0.195969373238E+04 0.45215E-04 -0.79120E-05 1872 0.106E-02 0.332E-02
DAV: 5 -0.195969372990E+04 0.24730E-05 -0.12425E-05 1064 0.491E-03
198 T= 4191. E= -.17857907E+04 F= -.19596937E+04 E0= -.19596734E+04 EK= 0.17390E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196015483236E+04 -0.46110E+00 -0.53977E-04 2868 0.672E-01 0.908E-02
DAV: 2 -0.196015512442E+04 -0.29207E-03 -0.55895E-03 1904 0.817E-02 0.724E-02
DAV: 3 -0.196015506508E+04 0.59342E-04 -0.35808E-04 2272 0.292E-02 0.699E-02
DAV: 4 -0.196015503908E+04 0.26003E-04 -0.76865E-05 1864 0.101E-02 0.326E-02
DAV: 5 -0.196015503010E+04 0.89787E-05 -0.20569E-05 1160 0.693E-03
199 T= 4202. E= -.17857908E+04 F= -.19601550E+04 E0= -.19601346E+04 EK= 0.17436E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196059683113E+04 -0.44179E+00 -0.62849E-04 2804 0.673E-01 0.997E-02
DAV: 2 -0.196059713642E+04 -0.30529E-03 -0.57300E-03 1896 0.836E-02 0.896E-02
DAV: 3 -0.196059710456E+04 0.31858E-04 -0.44491E-04 2192 0.332E-02 0.106E-01
DAV: 4 -0.196059702611E+04 0.78447E-04 -0.13549E-04 1992 0.150E-02 0.456E-02
DAV: 5 -0.196059701729E+04 0.88237E-05 -0.30969E-05 1240 0.738E-03
200 T= 4213. E= -.17857908E+04 F= -.19605970E+04 E0= -.19605763E+04 EK= 0.17481E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196101936653E+04 -0.42234E+00 -0.44842E-04 2828 0.674E-01 0.984E-02
DAV: 2 -0.196101964127E+04 -0.27474E-03 -0.54257E-03 1912 0.822E-02 0.837E-02
DAV: 3 -0.196101960588E+04 0.35397E-04 -0.44364E-04 2136 0.321E-02 0.918E-02
DAV: 4 -0.196101954468E+04 0.61197E-04 -0.12113E-04 1976 0.144E-02 0.440E-02
DAV: 5 -0.196101953655E+04 0.81270E-05 -0.29261E-05 1224 0.701E-03
201 T= 4223. E= -.17857908E+04 F= -.19610195E+04 E0= -.19609984E+04 EK= 0.17523E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196142237677E+04 -0.40283E+00 -0.58084E-04 2812 0.675E-01 0.911E-02
DAV: 2 -0.196142262098E+04 -0.24421E-03 -0.51765E-03 1920 0.798E-02 0.639E-02
DAV: 3 -0.196142256580E+04 0.55183E-04 -0.34792E-04 2102 0.282E-02 0.486E-02
DAV: 4 -0.196142255494E+04 0.10856E-04 -0.77629E-05 1760 0.103E-02 0.330E-02
DAV: 5 -0.196142254781E+04 0.71280E-05 -0.15085E-05 1104 0.551E-03
202 T= 4233. E= -.17857909E+04 F= -.19614225E+04 E0= -.19614013E+04 EK= 0.17563E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196180599829E+04 -0.38344E+00 -0.49035E-04 2824 0.674E-01 0.915E-02
DAV: 2 -0.196180624463E+04 -0.24634E-03 -0.49866E-03 1912 0.774E-02 0.801E-02
DAV: 3 -0.196180630286E+04 -0.58229E-04 -0.39703E-04 2216 0.297E-02 0.148E-01
DAV: 4 -0.196180614562E+04 0.15724E-03 -0.13957E-04 1920 0.141E-02 0.270E-02
DAV: 5 -0.196180615239E+04 -0.67770E-05 -0.39880E-05 1624 0.857E-03
203 T= 4242. E= -.17857909E+04 F= -.19618062E+04 E0= -.19617847E+04 EK= 0.17602E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196217057602E+04 -0.36443E+00 -0.35032E-04 2438 0.674E-01 0.825E-02
DAV: 2 -0.196217080061E+04 -0.22458E-03 -0.40059E-03 1920 0.701E-02 0.867E-02
DAV: 3 -0.196217087167E+04 -0.71064E-04 -0.43933E-04 2184 0.277E-02 0.152E-01
DAV: 4 -0.196217069833E+04 0.17334E-03 -0.16294E-04 1960 0.151E-02 0.299E-02
DAV: 5 -0.196217070809E+04 -0.97586E-05 -0.26824E-05 1288 0.687E-03
204 T= 4251. E= -.17857909E+04 F= -.19621707E+04 E0= -.19621491E+04 EK= 0.17638E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196251680825E+04 -0.34611E+00 -0.30686E-04 2422 0.674E-01 0.815E-02
DAV: 2 -0.196251698400E+04 -0.17575E-03 -0.37276E-03 1928 0.683E-02 0.666E-02
DAV: 3 -0.196251699773E+04 -0.13735E-04 -0.37840E-04 2168 0.268E-02 0.101E-01
DAV: 4 -0.196251691682E+04 0.80918E-04 -0.11851E-04 1936 0.123E-02 0.346E-02
DAV: 5 -0.196251691398E+04 0.28372E-05 -0.21174E-05 1216 0.652E-03
205 T= 4259. E= -.17857909E+04 F= -.19625169E+04 E0= -.19624951E+04 EK= 0.17673E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196284566835E+04 -0.32875E+00 -0.36012E-04 2408 0.674E-01 0.789E-02
DAV: 2 -0.196284583332E+04 -0.16496E-03 -0.35696E-03 1936 0.664E-02 0.638E-02
DAV: 3 -0.196284584569E+04 -0.12373E-04 -0.27117E-04 2238 0.255E-02 0.105E-01
DAV: 4 -0.196284576642E+04 0.79270E-04 -0.91096E-05 1856 0.109E-02 0.237E-02
DAV: 5 -0.196284576553E+04 0.88914E-06 -0.23819E-05 1238 0.739E-03
206 T= 4267. E= -.17857908E+04 F= -.19628458E+04 E0= -.19628239E+04 EK= 0.17705E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196315859144E+04 -0.31283E+00 -0.48396E-04 2766 0.674E-01 0.707E-02
DAV: 2 -0.196315884885E+04 -0.25742E-03 -0.36494E-03 1936 0.638E-02 0.809E-02
DAV: 3 -0.196315885982E+04 -0.10962E-04 -0.38573E-04 2032 0.248E-02 0.115E-01
DAV: 4 -0.196315875826E+04 0.10155E-03 -0.12367E-04 1912 0.130E-02 0.331E-02
DAV: 5 -0.196315875860E+04 -0.33919E-06 -0.22195E-05 1184 0.665E-03
207 T= 4275. E= -.17857907E+04 F= -.19631588E+04 E0= -.19631369E+04 EK= 0.17737E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196345770579E+04 -0.29895E+00 -0.60929E-04 2822 0.675E-01 0.769E-02
DAV: 2 -0.196345793490E+04 -0.22912E-03 -0.40147E-03 1936 0.687E-02 0.670E-02
DAV: 3 -0.196345791880E+04 0.16104E-04 -0.35594E-04 2040 0.261E-02 0.855E-02
DAV: 4 -0.196345786100E+04 0.57802E-04 -0.11345E-04 1904 0.118E-02 0.346E-02
DAV: 5 -0.196345785653E+04 0.44721E-05 -0.19127E-05 1160 0.631E-03
208 T= 4282. E= -.17857906E+04 F= -.19634579E+04 E0= -.19634359E+04 EK= 0.17767E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196374532405E+04 -0.28746E+00 -0.60128E-04 2806 0.674E-01 0.865E-02
DAV: 2 -0.196374557325E+04 -0.24920E-03 -0.48976E-03 1920 0.754E-02 0.629E-02
DAV: 3 -0.196374550557E+04 0.67684E-04 -0.29656E-04 2198 0.276E-02 0.378E-02
DAV: 4 -0.196374550346E+04 0.21053E-05 -0.83621E-05 1784 0.107E-02
209 T= 4289. E= -.17857905E+04 F= -.19637455E+04 E0= -.19637235E+04 EK= 0.17796E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196402449056E+04 -0.27898E+00 -0.41941E-04 2604 0.674E-01 0.950E-02
DAV: 2 -0.196402471276E+04 -0.22220E-03 -0.46281E-03 1920 0.776E-02 0.899E-02
DAV: 3 -0.196402482872E+04 -0.11596E-03 -0.46145E-04 2176 0.304E-02 0.172E-01
DAV: 4 -0.196402460573E+04 0.22299E-03 -0.20477E-04 1968 0.160E-02 0.261E-02
DAV: 5 -0.196402462289E+04 -0.17159E-04 -0.44037E-05 1608 0.822E-03 0.161E-02
DAV: 6 -0.196402462014E+04 0.27430E-05 -0.11082E-05 1048 0.501E-03
210 T= 4296. E= -.17857903E+04 F= -.19640246E+04 E0= -.19640023E+04 EK= 0.17823E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196429848936E+04 -0.27387E+00 -0.46134E-04 2710 0.673E-01 0.712E-02
DAV: 2 -0.196429868937E+04 -0.20001E-03 -0.33507E-03 1928 0.617E-02 0.735E-02
DAV: 3 -0.196429874107E+04 -0.51693E-04 -0.26487E-04 2224 0.235E-02 0.129E-01
DAV: 4 -0.196429861722E+04 0.12385E-03 -0.12369E-04 1888 0.123E-02 0.238E-02
DAV: 5 -0.196429862326E+04 -0.60413E-05 -0.24077E-05 1232 0.641E-03
211 T= 4302. E= -.17857902E+04 F= -.19642986E+04 E0= -.19642761E+04 EK= 0.17851E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196457099063E+04 -0.27237E+00 -0.18474E-04 1926 0.672E-01 0.553E-02
DAV: 2 -0.196457114743E+04 -0.15681E-03 -0.25225E-03 1928 0.514E-02 0.590E-02
DAV: 3 -0.196457109879E+04 0.48646E-04 -0.18796E-04 2136 0.204E-02 0.413E-02
DAV: 4 -0.196457108152E+04 0.17269E-04 -0.63014E-05 1760 0.970E-03 0.223E-02
DAV: 5 -0.196457107037E+04 0.11151E-04 -0.34102E-05 1536 0.924E-03 0.249E-02
DAV: 6 -0.196457106289E+04 0.74830E-05 -0.27090E-05 1352 0.734E-03
212 T= 4309. E= -.17857900E+04 F= -.19645711E+04 E0= -.19645483E+04 EK= 0.17878E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196484547830E+04 -0.27441E+00 -0.38952E-04 2582 0.675E-01 0.264E-02
DAV: 2 -0.196484568471E+04 -0.20641E-03 -0.20232E-03 1944 0.386E-02 0.721E-02
DAV: 3 -0.196484563720E+04 0.47507E-04 -0.89893E-05 1880 0.128E-02 0.482E-02
DAV: 4 -0.196484563896E+04 -0.17605E-05 -0.95243E-06 1048 0.362E-03
213 T= 4315. E= -.17857898E+04 F= -.19648456E+04 E0= -.19648224E+04 EK= 0.17906E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196512583237E+04 -0.28020E+00 -0.25066E-04 2432 0.674E-01 0.121E-01
DAV: 2 -0.196512585511E+04 -0.22733E-04 -0.50520E-03 1920 0.912E-02 0.988E-02
DAV: 3 -0.196512589480E+04 -0.39696E-04 -0.13864E-03 2006 0.426E-02 0.129E-01
DAV: 4 -0.196512575069E+04 0.14411E-03 -0.42123E-04 2024 0.211E-02 0.927E-02
DAV: 5 -0.196512568986E+04 0.60832E-04 -0.73711E-05 1848 0.119E-02 0.256E-02
DAV: 6 -0.196512565408E+04 0.35775E-04 -0.41417E-05 1760 0.108E-02 0.126E-02
DAV: 7 -0.196512561014E+04 0.43948E-04 -0.50977E-05 1768 0.192E-02 0.133E-02
DAV: 8 -0.196512560385E+04 0.62895E-05 -0.53515E-05 1792 0.126E-02
214 T= 4322. E= -.17857896E+04 F= -.19651256E+04 E0= -.19651022E+04 EK= 0.17934E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196541433345E+04 -0.28872E+00 -0.13112E-04 1772 0.676E-01 0.106E-01
DAV: 2 -0.196541421172E+04 0.12173E-03 -0.22726E-03 2328 0.685E-02 0.972E-02
DAV: 3 -0.196541429744E+04 -0.85716E-04 -0.12463E-03 2024 0.368E-02 0.143E-01
DAV: 4 -0.196541417895E+04 0.11849E-03 -0.34361E-04 2000 0.200E-02 0.109E-01
DAV: 5 -0.196541408231E+04 0.96639E-04 -0.74689E-05 1584 0.139E-02 0.227E-02
DAV: 6 -0.196541405804E+04 0.24271E-04 -0.51750E-05 1768 0.116E-02 0.149E-02
DAV: 7 -0.196541402719E+04 0.30843E-04 -0.26325E-05 1464 0.159E-02 0.971E-03
DAV: 8 -0.196541402171E+04 0.54840E-05 -0.43722E-05 1688 0.115E-02
215 T= 4329. E= -.17857895E+04 F= -.19654140E+04 E0= -.19653905E+04 EK= 0.17962E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196571287786E+04 -0.29885E+00 -0.27766E-05 2156 0.674E-01 0.329E-02
DAV: 2 -0.196571300340E+04 -0.12554E-03 -0.12408E-03 2016 0.310E-02 0.711E-02
DAV: 3 -0.196571298182E+04 0.21579E-04 -0.51652E-05 1664 0.796E-03 0.495E-02
DAV: 4 -0.196571298289E+04 -0.10674E-05 -0.37324E-06 1040 0.228E-03
216 T= 4336. E= -.17857895E+04 F= -.19657130E+04 E0= -.19656895E+04 EK= 0.17992E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196602365259E+04 -0.31067E+00 -0.72450E-05 2158 0.674E-01 0.139E-01
DAV: 2 -0.196602392219E+04 -0.26960E-03 -0.32693E-03 2000 0.704E-02 0.154E-01
DAV: 3 -0.196602369607E+04 0.22612E-03 -0.17254E-03 2022 0.426E-02 0.101E-01
DAV: 4 -0.196602377717E+04 -0.81106E-04 -0.42036E-04 2160 0.204E-02 0.163E-01
DAV: 5 -0.196602357548E+04 0.20169E-03 -0.13226E-04 1902 0.147E-02 0.261E-02
DAV: 6 -0.196602359181E+04 -0.16324E-04 -0.37713E-05 1552 0.814E-03 0.126E-02
DAV: 7 -0.196602358923E+04 0.25807E-05 -0.63528E-06 1144 0.475E-03
217 T= 4344. E= -.17857895E+04 F= -.19660236E+04 E0= -.19660000E+04 EK= 0.18023E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196634598365E+04 -0.32239E+00 -0.18724E-04 1814 0.674E-01 0.138E-01
DAV: 2 -0.196634621948E+04 -0.23583E-03 -0.20123E-03 2032 0.526E-02 0.155E-01
DAV: 3 -0.196634594278E+04 0.27671E-03 -0.11356E-03 2046 0.375E-02 0.761E-02
DAV: 4 -0.196634604674E+04 -0.10396E-03 -0.33827E-04 2064 0.176E-02 0.137E-01
DAV: 5 -0.196634591078E+04 0.13596E-03 -0.14533E-04 1824 0.122E-02 0.367E-02
DAV: 6 -0.196634592052E+04 -0.97424E-05 -0.27063E-05 1264 0.797E-03
218 T= 4352. E= -.17857896E+04 F= -.19663459E+04 E0= -.19663224E+04 EK= 0.18056E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196667881489E+04 -0.33290E+00 -0.26315E-04 2116 0.675E-01 0.444E-02
DAV: 2 -0.196667893840E+04 -0.12350E-03 -0.10687E-03 1976 0.255E-02 0.702E-02
DAV: 3 -0.196667889774E+04 0.40652E-04 -0.87257E-05 1888 0.121E-02 0.395E-02
DAV: 4 -0.196667890446E+04 -0.67212E-05 -0.47597E-05 1376 0.662E-03
219 T= 4360. E= -.17857898E+04 F= -.19666789E+04 E0= -.19666558E+04 EK= 0.18089E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196702031582E+04 -0.34142E+00 -0.19845E-04 2142 0.676E-01 0.302E-02
DAV: 2 -0.196702045260E+04 -0.13678E-03 -0.97057E-04 1992 0.238E-02 0.749E-02
DAV: 3 -0.196702041275E+04 0.39850E-04 -0.10104E-04 1800 0.969E-03 0.340E-02
DAV: 4 -0.196702041039E+04 0.23582E-05 -0.12964E-05 1168 0.576E-03
220 T= 4368. E= -.17857900E+04 F= -.19670204E+04 E0= -.19669972E+04 EK= 0.18123E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196736747574E+04 -0.34706E+00 -0.17281E-04 1998 0.677E-01 0.480E-02
DAV: 2 -0.196736770688E+04 -0.23114E-03 -0.17032E-03 1968 0.393E-02 0.977E-02
DAV: 3 -0.196736760451E+04 0.10236E-03 -0.42831E-04 2032 0.206E-02 0.619E-02
DAV: 4 -0.196736758604E+04 0.18477E-04 -0.56928E-05 1704 0.889E-03 0.252E-02
DAV: 5 -0.196736758107E+04 0.49685E-05 -0.17640E-05 1144 0.587E-03
221 T= 4376. E= -.17857903E+04 F= -.19673676E+04 E0= -.19673447E+04 EK= 0.18158E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196771685214E+04 -0.34927E+00 -0.21451E-04 2156 0.679E-01 0.506E-02
DAV: 2 -0.196771705798E+04 -0.20584E-03 -0.19356E-03 1952 0.436E-02 0.801E-02
DAV: 3 -0.196771697559E+04 0.82392E-04 -0.23851E-04 2008 0.205E-02 0.331E-02
DAV: 4 -0.196771696923E+04 0.63580E-05 -0.61591E-05 1792 0.944E-03
222 T= 4385. E= -.17857905E+04 F= -.19677170E+04 E0= -.19676943E+04 EK= 0.18193E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196806478741E+04 -0.34781E+00 -0.39111E-04 2446 0.680E-01 0.910E-02
DAV: 2 -0.196806634241E+04 -0.15550E-02 -0.41813E-03 2040 0.648E-02 0.449E-01
DAV: 3 -0.196806474074E+04 0.16017E-02 -0.18932E-03 2008 0.396E-02 0.632E-02
DAV: 4 -0.196806487274E+04 -0.13200E-03 -0.15722E-04 1728 0.172E-02 0.313E-02
DAV: 5 -0.196806486576E+04 0.69811E-05 -0.50381E-05 1800 0.800E-03
223 T= 4393. E= -.17857908E+04 F= -.19680649E+04 E0= -.19680427E+04 EK= 0.18227E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196840748304E+04 -0.34261E+00 -0.61843E-04 2774 0.681E-01 0.102E-01
DAV: 2 -0.196840916891E+04 -0.16859E-02 -0.45654E-03 2072 0.696E-02 0.458E-01
DAV: 3 -0.196840744104E+04 0.17279E-02 -0.21047E-03 2024 0.417E-02 0.625E-02
DAV: 4 -0.196840757126E+04 -0.13022E-03 -0.17346E-04 1712 0.180E-02 0.330E-02
DAV: 5 -0.196840756314E+04 0.81202E-05 -0.57842E-05 1784 0.859E-03
224 T= 4401. E= -.17857910E+04 F= -.19684076E+04 E0= -.19683858E+04 EK= 0.18262E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196874150561E+04 -0.33393E+00 -0.28653E-04 2414 0.683E-01 0.715E-02
DAV: 2 -0.196874194444E+04 -0.43883E-03 -0.27475E-03 1944 0.554E-02 0.208E-01
DAV: 3 -0.196874165162E+04 0.29283E-03 -0.63650E-04 2016 0.253E-02 0.842E-02
DAV: 4 -0.196874162338E+04 0.28240E-04 -0.82430E-05 1680 0.141E-02 0.218E-02
DAV: 5 -0.196874162310E+04 0.27420E-06 -0.46554E-05 1744 0.820E-03
225 T= 4409. E= -.17857912E+04 F= -.19687416E+04 E0= -.19687202E+04 EK= 0.18295E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196906391061E+04 -0.32229E+00 -0.33765E-04 2518 0.684E-01 0.433E-02
DAV: 2 -0.196906407701E+04 -0.16640E-03 -0.18904E-03 1944 0.413E-02 0.620E-02
DAV: 3 -0.196906406129E+04 0.15717E-04 -0.11608E-04 2022 0.152E-02 0.616E-02
DAV: 4 -0.196906403553E+04 0.25768E-04 -0.47765E-05 1656 0.801E-03 0.220E-02
DAV: 5 -0.196906403344E+04 0.20904E-05 -0.12945E-05 1032 0.440E-03
226 T= 4417. E= -.17857914E+04 F= -.19690640E+04 E0= -.19690431E+04 EK= 0.18327E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196937218550E+04 -0.30815E+00 -0.40828E-04 2542 0.685E-01 0.423E-02
DAV: 2 -0.196937234794E+04 -0.16245E-03 -0.19928E-03 1928 0.415E-02 0.472E-02
DAV: 3 -0.196937233823E+04 0.97102E-05 -0.93182E-05 2016 0.145E-02
227 T= 4424. E= -.17857917E+04 F= -.19693723E+04 E0= -.19693520E+04 EK= 0.18358E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196966451876E+04 -0.29217E+00 -0.39209E-04 2654 0.687E-01 0.930E-02
DAV: 2 -0.196966491458E+04 -0.39582E-03 -0.38814E-03 1920 0.722E-02 0.187E-01
DAV: 3 -0.196966475569E+04 0.15889E-03 -0.10746E-03 2096 0.322E-02 0.143E-01
DAV: 4 -0.196966461931E+04 0.13638E-03 -0.16004E-04 1888 0.184E-02 0.316E-02
DAV: 5 -0.196966462055E+04 -0.12341E-05 -0.56883E-05 1736 0.871E-03
228 T= 4431. E= -.17857919E+04 F= -.19696646E+04 E0= -.19696446E+04 EK= 0.18387E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196993956958E+04 -0.27495E+00 -0.29132E-04 2630 0.688E-01 0.956E-02
DAV: 2 -0.196993998445E+04 -0.41487E-03 -0.41597E-03 1920 0.758E-02 0.194E-01
DAV: 3 -0.196993982876E+04 0.15569E-03 -0.11344E-03 2094 0.333E-02 0.148E-01
DAV: 4 -0.196993967815E+04 0.15061E-03 -0.17942E-04 1880 0.188E-02 0.321E-02
DAV: 5 -0.196993968012E+04 -0.19757E-05 -0.58659E-05 1712 0.881E-03
229 T= 4438. E= -.17857919E+04 F= -.19699397E+04 E0= -.19699201E+04 EK= 0.18415E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197019661567E+04 -0.25694E+00 -0.35040E-04 2654 0.689E-01 0.683E-02
DAV: 2 -0.197019682633E+04 -0.21066E-03 -0.32182E-03 1928 0.602E-02 0.639E-02
DAV: 3 -0.197019686260E+04 -0.36271E-04 -0.31751E-04 2056 0.225E-02 0.108E-01
DAV: 4 -0.197019677278E+04 0.89816E-04 -0.11110E-04 1880 0.113E-02 0.222E-02
DAV: 5 -0.197019677564E+04 -0.28623E-05 -0.23888E-05 1280 0.674E-03
230 T= 4444. E= -.17857920E+04 F= -.19701968E+04 E0= -.19701778E+04 EK= 0.18440E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197043554384E+04 -0.23877E+00 -0.45029E-04 2726 0.689E-01 0.618E-02
DAV: 2 -0.197043573539E+04 -0.19155E-03 -0.29220E-03 1912 0.559E-02 0.494E-02
DAV: 3 -0.197043570356E+04 0.31836E-04 -0.17889E-04 2190 0.199E-02 0.309E-02
DAV: 4 -0.197043569603E+04 0.75294E-05 -0.51684E-05 1568 0.819E-03
231 T= 4450. E= -.17857920E+04 F= -.19704357E+04 E0= -.19704172E+04 EK= 0.18464E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197065652013E+04 -0.22082E+00 -0.46319E-04 2686 0.690E-01 0.808E-02
DAV: 2 -0.197065676542E+04 -0.24530E-03 -0.30938E-03 1920 0.642E-02 0.137E-01
DAV: 3 -0.197065674533E+04 0.20093E-04 -0.51486E-04 2064 0.261E-02 0.133E-01
DAV: 4 -0.197065661403E+04 0.13130E-03 -0.21287E-04 1912 0.159E-02 0.238E-02
DAV: 5 -0.197065661823E+04 -0.41940E-05 -0.40357E-05 1376 0.751E-03
232 T= 4455. E= -.17857919E+04 F= -.19706566E+04 E0= -.19706385E+04 EK= 0.18486E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197085996192E+04 -0.20335E+00 -0.17658E-04 2038 0.690E-01 0.761E-02
DAV: 2 -0.197086024346E+04 -0.28154E-03 -0.28943E-03 1928 0.614E-02 0.152E-01
DAV: 3 -0.197086015526E+04 0.88203E-04 -0.50701E-04 2040 0.253E-02 0.117E-01
DAV: 4 -0.197086005486E+04 0.10040E-03 -0.17480E-04 1824 0.156E-02 0.230E-02
DAV: 5 -0.197086005828E+04 -0.34239E-05 -0.33033E-05 1384 0.695E-03
233 T= 4460. E= -.17857919E+04 F= -.19708601E+04 E0= -.19708425E+04 EK= 0.18507E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197104661357E+04 -0.18656E+00 -0.43802E-04 2798 0.691E-01 0.566E-02
DAV: 2 -0.197104682312E+04 -0.20955E-03 -0.29427E-03 1920 0.550E-02 0.535E-02
DAV: 3 -0.197104682074E+04 0.23722E-05 -0.17040E-04 2056 0.193E-02 0.728E-02
DAV: 4 -0.197104678252E+04 0.38225E-04 -0.61460E-05 1704 0.853E-03 0.209E-02
DAV: 5 -0.197104678115E+04 0.13694E-05 -0.12636E-05 1064 0.522E-03
234 T= 4465. E= -.17857919E+04 F= -.19710468E+04 E0= -.19710296E+04 EK= 0.18525E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197121759217E+04 -0.17081E+00 -0.36143E-04 2422 0.692E-01 0.639E-02
DAV: 2 -0.197121778510E+04 -0.19293E-03 -0.31451E-03 1912 0.593E-02 0.518E-02
DAV: 3 -0.197121774858E+04 0.36523E-04 -0.19902E-04 2224 0.215E-02 0.327E-02
DAV: 4 -0.197121774144E+04 0.71426E-05 -0.61343E-05 1640 0.859E-03
235 T= 4469. E= -.17857919E+04 F= -.19712177E+04 E0= -.19712011E+04 EK= 0.18543E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197137394832E+04 -0.15620E+00 -0.29833E-04 2246 0.692E-01 0.942E-02
DAV: 2 -0.197137438042E+04 -0.43210E-03 -0.35170E-03 1936 0.695E-02 0.223E-01
DAV: 3 -0.197137408214E+04 0.29829E-03 -0.79625E-04 1976 0.305E-02 0.114E-01
DAV: 4 -0.197137400467E+04 0.77472E-04 -0.23390E-04 1824 0.192E-02 0.277E-02
DAV: 5 -0.197137400244E+04 0.22231E-05 -0.62798E-05 1760 0.895E-03
236 T= 4473. E= -.17857918E+04 F= -.19713740E+04 E0= -.19713579E+04 EK= 0.18558E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197151664560E+04 -0.14264E+00 -0.15795E-04 2126 0.692E-01 0.849E-02
DAV: 2 -0.197151712484E+04 -0.47925E-03 -0.31832E-03 1936 0.637E-02 0.228E-01
DAV: 3 -0.197151676437E+04 0.36047E-03 -0.77804E-04 2000 0.285E-02 0.922E-02
DAV: 4 -0.197151672537E+04 0.39005E-04 -0.16001E-04 1744 0.167E-02 0.238E-02
DAV: 5 -0.197151672443E+04 0.93889E-06 -0.43336E-05 1624 0.755E-03
237 T= 4476. E= -.17857917E+04 F= -.19715167E+04 E0= -.19715010E+04 EK= 0.18572E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197164694119E+04 -0.13022E+00 -0.48331E-04 2702 0.692E-01 0.614E-02
DAV: 2 -0.197164724346E+04 -0.30227E-03 -0.27759E-03 1936 0.533E-02 0.137E-01
DAV: 3 -0.197164714415E+04 0.99306E-04 -0.38462E-04 2014 0.208E-02 0.865E-02
DAV: 4 -0.197164708842E+04 0.55736E-04 -0.95840E-05 1688 0.132E-02 0.215E-02
DAV: 5 -0.197164708937E+04 -0.94746E-06 -0.24583E-05 1262 0.601E-03
238 T= 4479. E= -.17857917E+04 F= -.19716471E+04 E0= -.19716319E+04 EK= 0.18586E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197176609165E+04 -0.11900E+00 -0.75287E-04 2830 0.693E-01 0.536E-02
DAV: 2 -0.197176632549E+04 -0.23384E-03 -0.31196E-03 1920 0.532E-02 0.515E-02
DAV: 3 -0.197176631969E+04 0.57999E-05 -0.19962E-04 2096 0.188E-02 0.660E-02
DAV: 4 -0.197176628651E+04 0.33176E-04 -0.58435E-05 1632 0.846E-03 0.216E-02
DAV: 5 -0.197176628511E+04 0.14065E-05 -0.12546E-05 1040 0.496E-03
239 T= 4482. E= -.17857916E+04 F= -.19717663E+04 E0= -.19717515E+04 EK= 0.18597E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197187526851E+04 -0.10898E+00 -0.76805E-04 2822 0.693E-01 0.576E-02
DAV: 2 -0.197187549545E+04 -0.22694E-03 -0.32883E-03 1936 0.571E-02 0.524E-02
DAV: 3 -0.197187547956E+04 0.15894E-04 -0.18959E-04 2158 0.195E-02 0.607E-02
DAV: 4 -0.197187545404E+04 0.25517E-04 -0.51884E-05 1616 0.792E-03 0.222E-02
DAV: 5 -0.197187545093E+04 0.31122E-05 -0.13914E-05 1024 0.545E-03
240 T= 4485. E= -.17857916E+04 F= -.19718755E+04 E0= -.19718610E+04 EK= 0.18608E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197197550758E+04 -0.10005E+00 -0.93664E-04 2886 0.694E-01 0.694E-02
DAV: 2 -0.197197573679E+04 -0.22921E-03 -0.38053E-03 1928 0.637E-02 0.502E-02
DAV: 3 -0.197197572385E+04 0.12937E-04 -0.20962E-04 2152 0.216E-02 0.584E-02
DAV: 4 -0.197197570078E+04 0.23071E-04 -0.53878E-05 1728 0.827E-03 0.209E-02
DAV: 5 -0.197197569903E+04 0.17481E-05 -0.13023E-05 1048 0.474E-03
241 T= 4487. E= -.17857916E+04 F= -.19719757E+04 E0= -.19719617E+04 EK= 0.18618E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197206795266E+04 -0.92252E-01 -0.36666E-04 2550 0.693E-01 0.744E-02
DAV: 2 -0.197206809093E+04 -0.13827E-03 -0.30003E-03 1928 0.602E-02 0.540E-02
DAV: 3 -0.197206813008E+04 -0.39145E-04 -0.27390E-04 2144 0.218E-02 0.997E-02
DAV: 4 -0.197206804959E+04 0.80485E-04 -0.10380E-04 1856 0.107E-02 0.164E-02
DAV: 5 -0.197206805301E+04 -0.34161E-05 -0.20868E-05 1184 0.638E-03
242 T= 4489. E= -.17857915E+04 F= -.19720681E+04 E0= -.19720545E+04 EK= 0.18628E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197215335940E+04 -0.85310E-01 -0.40421E-04 2478 0.693E-01 0.582E-02
DAV: 2 -0.197215350634E+04 -0.14694E-03 -0.24335E-03 1928 0.514E-02 0.411E-02
DAV: 3 -0.197215349267E+04 0.13669E-04 -0.16629E-04 2086 0.180E-02 0.413E-02
DAV: 4 -0.197215348055E+04 0.12119E-04 -0.46965E-05 1512 0.726E-03 0.185E-02
DAV: 5 -0.197215347891E+04 0.16378E-05 -0.78635E-06 1016 0.380E-03
243 T= 4491. E= -.17857915E+04 F= -.19721535E+04 E0= -.19721403E+04 EK= 0.18636E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197223271375E+04 -0.79233E-01 -0.35831E-04 2374 0.693E-01 0.464E-02
DAV: 2 -0.197223286131E+04 -0.14756E-03 -0.21106E-03 1920 0.451E-02 0.406E-02
DAV: 3 -0.197223285421E+04 0.70952E-05 -0.12932E-04 2032 0.155E-02 0.478E-02
DAV: 4 -0.197223283728E+04 0.16935E-04 -0.38630E-05 1264 0.678E-03 0.175E-02
DAV: 5 -0.197223283576E+04 0.15206E-05 -0.11360E-05 1024 0.468E-03
244 T= 4493. E= -.17857915E+04 F= -.19722328E+04 E0= -.19722200E+04 EK= 0.18644E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197230673765E+04 -0.73900E-01 -0.38000E-04 2438 0.693E-01 0.443E-02
DAV: 2 -0.197230691548E+04 -0.17784E-03 -0.24036E-03 1920 0.467E-02 0.454E-02
DAV: 3 -0.197230689879E+04 0.16696E-04 -0.11215E-04 2078 0.160E-02 0.463E-02
DAV: 4 -0.197230688459E+04 0.14198E-04 -0.31936E-05 1344 0.641E-03 0.203E-02
DAV: 5 -0.197230688033E+04 0.42624E-05 -0.11778E-05 1044 0.536E-03
245 T= 4495. E= -.17857915E+04 F= -.19723069E+04 E0= -.19722945E+04 EK= 0.18652E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197237608497E+04 -0.69200E-01 -0.34109E-04 2568 0.693E-01 0.510E-02
DAV: 2 -0.197237628439E+04 -0.19942E-03 -0.27349E-03 1920 0.522E-02 0.549E-02
DAV: 3 -0.197237626370E+04 0.20695E-04 -0.17962E-04 2118 0.183E-02 0.594E-02
DAV: 4 -0.197237623926E+04 0.24432E-04 -0.52138E-05 1600 0.777E-03 0.230E-02
DAV: 5 -0.197237623792E+04 0.13483E-05 -0.79756E-06 1036 0.380E-03
246 T= 4497. E= -.17857915E+04 F= -.19723762E+04 E0= -.19723642E+04 EK= 0.18658E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197244123067E+04 -0.64991E-01 -0.61614E-04 2808 0.694E-01 0.710E-02
DAV: 2 -0.197244145526E+04 -0.22459E-03 -0.38490E-03 1920 0.652E-02 0.530E-02
DAV: 3 -0.197244141272E+04 0.42533E-04 -0.20984E-04 2240 0.225E-02 0.325E-02
DAV: 4 -0.197244140978E+04 0.29464E-05 -0.47062E-05 1640 0.801E-03
247 T= 4498. E= -.17857915E+04 F= -.19724414E+04 E0= -.19724296E+04 EK= 0.18665E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197250266526E+04 -0.61253E-01 -0.82401E-04 2782 0.694E-01 0.952E-02
DAV: 2 -0.197250281616E+04 -0.15090E-03 -0.41142E-03 1920 0.736E-02 0.778E-02
DAV: 3 -0.197250293930E+04 -0.12315E-03 -0.74154E-04 2032 0.294E-02 0.150E-01
DAV: 4 -0.197250274574E+04 0.19356E-03 -0.26183E-04 1952 0.157E-02 0.225E-02
DAV: 5 -0.197250275684E+04 -0.11106E-04 -0.38192E-05 1480 0.771E-03 0.126E-02
DAV: 6 -0.197250275404E+04 0.28059E-05 -0.10677E-05 1024 0.500E-03
248 T= 4500. E= -.17857916E+04 F= -.19725028E+04 E0= -.19724914E+04 EK= 0.18671E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197256038923E+04 -0.57632E-01 -0.72517E-04 2804 0.693E-01 0.654E-02
DAV: 2 -0.197256057279E+04 -0.18356E-03 -0.29902E-03 1936 0.567E-02 0.629E-02
DAV: 3 -0.197256061266E+04 -0.39871E-04 -0.38445E-04 2000 0.216E-02 0.103E-01
DAV: 4 -0.197256052369E+04 0.88962E-04 -0.12777E-04 1856 0.115E-02 0.180E-02
DAV: 5 -0.197256052843E+04 -0.47396E-05 -0.17435E-05 1136 0.553E-03
249 T= 4501. E= -.17857916E+04 F= -.19725605E+04 E0= -.19725495E+04 EK= 0.18677E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197261475717E+04 -0.54233E-01 -0.11538E-04 1684 0.694E-01 0.429E-02
DAV: 2 -0.197261488513E+04 -0.12796E-03 -0.19549E-03 1928 0.440E-02 0.393E-02
DAV: 3 -0.197261486105E+04 0.24079E-04 -0.95274E-05 2024 0.152E-02 0.254E-02
DAV: 4 -0.197261485883E+04 0.22220E-05 -0.25780E-05 1224 0.597E-03
250 T= 4503. E= -.17857916E+04 F= -.19726149E+04 E0= -.19726040E+04 EK= 0.18682E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197266559682E+04 -0.50736E-01 -0.30883E-04 2214 0.694E-01 0.656E-02
DAV: 2 -0.197266576562E+04 -0.16880E-03 -0.26692E-03 1928 0.553E-02 0.847E-02
DAV: 3 -0.197266578851E+04 -0.22884E-04 -0.41377E-04 2000 0.218E-02 0.108E-01
DAV: 4 -0.197266568886E+04 0.99650E-04 -0.15955E-04 1776 0.132E-02 0.197E-02
DAV: 5 -0.197266569257E+04 -0.37150E-05 -0.24578E-05 1264 0.644E-03
251 T= 4504. E= -.17857917E+04 F= -.19726657E+04 E0= -.19726552E+04 EK= 0.18687E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197271281001E+04 -0.47121E-01 -0.22380E-04 2198 0.694E-01 0.653E-02
DAV: 2 -0.197271299381E+04 -0.18380E-03 -0.28372E-03 1912 0.575E-02 0.838E-02
DAV: 3 -0.197271301851E+04 -0.24704E-04 -0.42844E-04 2006 0.220E-02 0.109E-01
DAV: 4 -0.197271291838E+04 0.10013E-03 -0.15715E-04 1800 0.131E-02 0.206E-02
DAV: 5 -0.197271292303E+04 -0.46455E-05 -0.23026E-05 1256 0.612E-03
252 T= 4505. E= -.17857917E+04 F= -.19727129E+04 E0= -.19727026E+04 EK= 0.18692E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197275620076E+04 -0.43282E-01 -0.39723E-04 2524 0.694E-01 0.587E-02
DAV: 2 -0.197275637337E+04 -0.17262E-03 -0.28806E-03 1912 0.560E-02 0.513E-02
DAV: 3 -0.197275637372E+04 -0.35057E-06 -0.23622E-04 2096 0.202E-02 0.715E-02
DAV: 4 -0.197275633364E+04 0.40084E-04 -0.81489E-05 1720 0.889E-03 0.208E-02
DAV: 5 -0.197275633023E+04 0.34106E-05 -0.15263E-05 1080 0.573E-03
253 T= 4506. E= -.17857918E+04 F= -.19727563E+04 E0= -.19727463E+04 EK= 0.18696E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197279541809E+04 -0.39084E-01 -0.51339E-04 2696 0.694E-01 0.531E-02
DAV: 2 -0.197279560750E+04 -0.18940E-03 -0.28071E-03 1936 0.533E-02 0.463E-02
DAV: 3 -0.197279557428E+04 0.33215E-04 -0.13915E-04 2096 0.183E-02 0.283E-02
DAV: 4 -0.197279557107E+04 0.32084E-05 -0.35530E-05 1496 0.700E-03
254 T= 4507. E= -.17857918E+04 F= -.19727956E+04 E0= -.19727858E+04 EK= 0.18700E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197283010995E+04 -0.34536E-01 -0.67977E-04 2662 0.694E-01 0.734E-02
DAV: 2 -0.197283037627E+04 -0.26631E-03 -0.35744E-03 1920 0.634E-02 0.113E-01
DAV: 3 -0.197283036624E+04 0.10029E-04 -0.62299E-04 2006 0.242E-02 0.116E-01
DAV: 4 -0.197283025289E+04 0.11335E-03 -0.21346E-04 1856 0.150E-02 0.215E-02
DAV: 5 -0.197283025754E+04 -0.46498E-05 -0.29968E-05 1376 0.693E-03
255 T= 4508. E= -.17857919E+04 F= -.19728303E+04 E0= -.19728207E+04 EK= 0.18704E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197285981479E+04 -0.29562E-01 -0.10451E-03 2838 0.694E-01 0.748E-02
DAV: 2 -0.197286011084E+04 -0.29604E-03 -0.37527E-03 1920 0.643E-02 0.125E-01
DAV: 3 -0.197286007422E+04 0.36616E-04 -0.76655E-04 1984 0.252E-02 0.111E-01
DAV: 4 -0.197285997039E+04 0.10384E-03 -0.18934E-04 1776 0.151E-02 0.202E-02
DAV: 5 -0.197285997293E+04 -0.25441E-05 -0.39528E-05 1704 0.795E-03
256 T= 4508. E= -.17857919E+04 F= -.19728600E+04 E0= -.19728506E+04 EK= 0.18707E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197288410439E+04 -0.24134E-01 -0.45760E-04 2558 0.694E-01 0.518E-02
DAV: 2 -0.197288428002E+04 -0.17563E-03 -0.25099E-03 1936 0.495E-02 0.538E-02
DAV: 3 -0.197288429197E+04 -0.11946E-04 -0.26353E-04 2040 0.181E-02 0.780E-02
DAV: 4 -0.197288424118E+04 0.50789E-04 -0.99955E-05 1728 0.942E-03 0.178E-02
DAV: 5 -0.197288424193E+04 -0.74889E-06 -0.11964E-05 1064 0.474E-03
257 T= 4509. E= -.17857920E+04 F= -.19728842E+04 E0= -.19728750E+04 EK= 0.18709E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197290242727E+04 -0.18186E-01 -0.77653E-04 2758 0.694E-01 0.415E-02
DAV: 2 -0.197290261535E+04 -0.18807E-03 -0.24031E-03 1944 0.455E-02 0.377E-02
DAV: 3 -0.197290260113E+04 0.14210E-04 -0.98136E-05 2006 0.147E-02 0.323E-02
DAV: 4 -0.197290259562E+04 0.55149E-05 -0.27240E-05 1184 0.553E-03
258 T= 4509. E= -.17857920E+04 F= -.19729026E+04 E0= -.19728936E+04 EK= 0.18711E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197291440654E+04 -0.11805E-01 -0.10312E-03 2830 0.694E-01 0.604E-02
DAV: 2 -0.197291461617E+04 -0.20963E-03 -0.33206E-03 1920 0.583E-02 0.447E-02
DAV: 3 -0.197291458628E+04 0.29888E-04 -0.16388E-04 2144 0.198E-02 0.263E-02
DAV: 4 -0.197291458160E+04 0.46848E-05 -0.53820E-05 1672 0.886E-03
259 T= 4510. E= -.17857921E+04 F= -.19729146E+04 E0= -.19729057E+04 EK= 0.18712E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197291959780E+04 -0.50115E-02 -0.13660E-03 2838 0.695E-01 0.730E-02
DAV: 2 -0.197291989255E+04 -0.29476E-03 -0.36029E-03 1936 0.616E-02 0.127E-01
DAV: 3 -0.197291983775E+04 0.54804E-04 -0.76184E-04 1976 0.239E-02 0.104E-01
DAV: 4 -0.197291974801E+04 0.89735E-04 -0.20439E-04 1752 0.151E-02 0.202E-02
DAV: 5 -0.197291975046E+04 -0.24469E-05 -0.30391E-05 1384 0.683E-03
260 T= 4510. E= -.17857922E+04 F= -.19729198E+04 E0= -.19729111E+04 EK= 0.18713E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197291759313E+04 0.21549E-02 -0.51178E-04 2598 0.694E-01 0.614E-02
DAV: 2 -0.197291794511E+04 -0.35198E-03 -0.30726E-03 1936 0.537E-02 0.156E-01
DAV: 3 -0.197291776610E+04 0.17901E-03 -0.74655E-04 1968 0.213E-02 0.686E-02
DAV: 4 -0.197291773749E+04 0.28611E-04 -0.10294E-04 1584 0.129E-02 0.199E-02
DAV: 5 -0.197291773712E+04 0.37169E-06 -0.21775E-05 1224 0.572E-03
261 T= 4510. E= -.17857922E+04 F= -.19729177E+04 E0= -.19729092E+04 EK= 0.18713E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197290807468E+04 0.96628E-02 -0.62408E-04 2710 0.694E-01 0.500E-02
DAV: 2 -0.197290829766E+04 -0.22297E-03 -0.28176E-03 1928 0.510E-02 0.766E-02
DAV: 3 -0.197290828713E+04 0.10525E-04 -0.37777E-04 2006 0.184E-02 0.804E-02
DAV: 4 -0.197290823128E+04 0.55849E-04 -0.11223E-04 1656 0.110E-02 0.223E-02
DAV: 5 -0.197290822733E+04 0.39506E-05 -0.27017E-05 1368 0.725E-03
262 T= 4510. E= -.17857923E+04 F= -.19729082E+04 E0= -.19728999E+04 EK= 0.18712E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197289077413E+04 0.17457E-01 -0.63500E-04 2742 0.694E-01 0.443E-02
DAV: 2 -0.197289101270E+04 -0.23856E-03 -0.29850E-03 1936 0.518E-02 0.574E-02
DAV: 3 -0.197289098797E+04 0.24724E-04 -0.18410E-04 2088 0.177E-02 0.553E-02
DAV: 4 -0.197289096756E+04 0.20415E-04 -0.54150E-05 1496 0.743E-03 0.268E-02
DAV: 5 -0.197289096481E+04 0.27512E-05 -0.74208E-06 1016 0.371E-03
263 T= 4509. E= -.17857923E+04 F= -.19728910E+04 E0= -.19728828E+04 EK= 0.18710E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197286559509E+04 0.25372E-01 -0.72825E-04 2830 0.694E-01 0.677E-02
DAV: 2 -0.197286585330E+04 -0.25821E-03 -0.41168E-03 1912 0.663E-02 0.561E-02
DAV: 3 -0.197286581458E+04 0.38726E-04 -0.22957E-04 2216 0.226E-02 0.451E-02
DAV: 4 -0.197286580445E+04 0.10130E-04 -0.57426E-05 1584 0.765E-03 0.249E-02
DAV: 5 -0.197286579819E+04 0.62602E-05 -0.12116E-05 1024 0.541E-03
264 T= 4509. E= -.17857923E+04 F= -.19728658E+04 E0= -.19728578E+04 EK= 0.18707E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197283252387E+04 0.33281E-01 -0.74086E-04 2830 0.694E-01 0.910E-02
DAV: 2 -0.197283272747E+04 -0.20360E-03 -0.47476E-03 1904 0.762E-02 0.533E-02
DAV: 3 -0.197283268761E+04 0.39865E-04 -0.29797E-04 2214 0.259E-02 0.303E-02
DAV: 4 -0.197283268361E+04 0.40009E-05 -0.75029E-05 1760 0.101E-02
265 T= 4508. E= -.17857923E+04 F= -.19728327E+04 E0= -.19728250E+04 EK= 0.18704E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197279153386E+04 0.41154E-01 -0.69928E-04 2862 0.693E-01 0.946E-02
DAV: 2 -0.197279185308E+04 -0.31922E-03 -0.42225E-03 1928 0.713E-02 0.162E-01
DAV: 3 -0.197279175719E+04 0.95887E-04 -0.15124E-03 2008 0.299E-02 0.127E-01
DAV: 4 -0.197279162705E+04 0.13014E-03 -0.35283E-04 1800 0.178E-02 0.211E-02
DAV: 5 -0.197279163088E+04 -0.38341E-05 -0.45369E-05 1624 0.826E-03
266 T= 4507. E= -.17857923E+04 F= -.19727916E+04 E0= -.19727840E+04 EK= 0.18700E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197274264131E+04 0.48986E-01 -0.44109E-04 2390 0.693E-01 0.682E-02
DAV: 2 -0.197274296384E+04 -0.32253E-03 -0.29984E-03 1928 0.555E-02 0.156E-01
DAV: 3 -0.197274280149E+04 0.16235E-03 -0.91090E-04 1976 0.229E-02 0.798E-02
DAV: 4 -0.197274275808E+04 0.43406E-04 -0.15882E-04 1616 0.133E-02 0.192E-02
DAV: 5 -0.197274275798E+04 0.10620E-06 -0.25103E-05 1264 0.636E-03
267 T= 4506. E= -.17857923E+04 F= -.19727428E+04 E0= -.19727354E+04 EK= 0.18695E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197268611113E+04 0.56647E-01 -0.65053E-04 2790 0.693E-01 0.457E-02
DAV: 2 -0.197268636874E+04 -0.25761E-03 -0.27321E-03 1936 0.486E-02 0.945E-02
DAV: 3 -0.197268631799E+04 0.50750E-04 -0.43109E-04 2008 0.172E-02 0.656E-02
DAV: 4 -0.197268628225E+04 0.35739E-04 -0.91986E-05 1624 0.102E-02 0.231E-02
DAV: 5 -0.197268627750E+04 0.47567E-05 -0.20175E-05 1224 0.635E-03
268 T= 4504. E= -.17857923E+04 F= -.19726863E+04 E0= -.19726790E+04 EK= 0.18689E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197262222056E+04 0.64062E-01 -0.73020E-04 2782 0.693E-01 0.427E-02
DAV: 2 -0.197262249490E+04 -0.27434E-03 -0.31758E-03 1920 0.527E-02 0.626E-02
DAV: 3 -0.197262246038E+04 0.34515E-04 -0.18746E-04 2096 0.178E-02 0.551E-02
DAV: 4 -0.197262244269E+04 0.17689E-04 -0.62866E-05 1600 0.755E-03 0.312E-02
DAV: 5 -0.197262242801E+04 0.14688E-04 -0.38153E-05 1456 0.978E-03 0.172E-02
DAV: 6 -0.197262242373E+04 0.42800E-05 -0.37154E-05 1496 0.892E-03
269 T= 4503. E= -.17857923E+04 F= -.19726224E+04 E0= -.19726155E+04 EK= 0.18683E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197255141398E+04 0.71014E-01 -0.78411E-04 2766 0.692E-01 0.327E-02
DAV: 2 -0.197255162183E+04 -0.20785E-03 -0.23278E-03 1936 0.436E-02 0.486E-02
DAV: 3 -0.197255160129E+04 0.20539E-04 -0.11738E-04 1958 0.141E-02 0.409E-02
DAV: 4 -0.197255159172E+04 0.95677E-05 -0.38852E-05 1208 0.617E-03
270 T= 4501. E= -.17857923E+04 F= -.19725516E+04 E0= -.19725449E+04 EK= 0.18676E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197247404512E+04 0.77556E-01 -0.79579E-04 2772 0.691E-01 0.723E-02
DAV: 2 -0.197247421518E+04 -0.17006E-03 -0.32543E-03 1928 0.622E-02 0.549E-02
DAV: 3 -0.197247418386E+04 0.31326E-04 -0.31249E-04 2016 0.235E-02 0.384E-02
DAV: 4 -0.197247417305E+04 0.10809E-04 -0.10651E-04 1816 0.103E-02 0.302E-02
DAV: 5 -0.197247416625E+04 0.67997E-05 -0.35164E-05 1120 0.523E-03
271 T= 4499. E= -.17857923E+04 F= -.19724742E+04 E0= -.19724677E+04 EK= 0.18668E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197239046381E+04 0.83709E-01 -0.73602E-04 2780 0.690E-01 0.740E-02
DAV: 2 -0.197239064581E+04 -0.18201E-03 -0.34438E-03 1944 0.634E-02 0.513E-02
DAV: 3 -0.197239062109E+04 0.24722E-04 -0.28147E-04 2008 0.236E-02 0.377E-02
DAV: 4 -0.197239061302E+04 0.80737E-05 -0.94899E-05 1752 0.988E-03
272 T= 4497. E= -.17857924E+04 F= -.19723906E+04 E0= -.19723845E+04 EK= 0.18660E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197230131690E+04 0.89304E-01 -0.78725E-04 2678 0.690E-01 0.742E-02
DAV: 2 -0.197230153072E+04 -0.21383E-03 -0.33659E-03 1936 0.626E-02 0.886E-02
DAV: 3 -0.197230155601E+04 -0.25286E-04 -0.96263E-04 1992 0.263E-02 0.113E-01
DAV: 4 -0.197230144265E+04 0.11336E-03 -0.31696E-04 1792 0.138E-02 0.229E-02
DAV: 5 -0.197230144584E+04 -0.31913E-05 -0.28572E-05 1272 0.655E-03
273 T= 4495. E= -.17857924E+04 F= -.19723014E+04 E0= -.19722957E+04 EK= 0.18651E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197220707205E+04 0.94371E-01 -0.11918E-03 2876 0.690E-01 0.728E-02
DAV: 2 -0.197220733933E+04 -0.26729E-03 -0.36462E-03 1936 0.626E-02 0.101E-01
DAV: 3 -0.197220734217E+04 -0.28416E-05 -0.10697E-03 2024 0.258E-02 0.110E-01
DAV: 4 -0.197220723512E+04 0.10706E-03 -0.28037E-04 1816 0.139E-02 0.212E-02
DAV: 5 -0.197220723757E+04 -0.24501E-05 -0.28002E-05 1296 0.664E-03
274 T= 4493. E= -.17857924E+04 F= -.19722072E+04 E0= -.19722020E+04 EK= 0.18641E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197210831013E+04 0.98925E-01 -0.17867E-03 2852 0.689E-01 0.562E-02
DAV: 2 -0.197210855924E+04 -0.24911E-03 -0.34029E-03 1928 0.568E-02 0.464E-02
DAV: 3 -0.197210855030E+04 0.89438E-05 -0.25947E-04 2032 0.192E-02 0.543E-02
DAV: 4 -0.197210852859E+04 0.21714E-04 -0.87103E-05 1648 0.777E-03 0.192E-02
DAV: 5 -0.197210852535E+04 0.32337E-05 -0.10586E-05 1056 0.525E-03
275 T= 4490. E= -.17857924E+04 F= -.19721085E+04 E0= -.19721037E+04 EK= 0.18632E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197200573393E+04 0.10279E+00 -0.85797E-04 2820 0.689E-01 0.509E-02
DAV: 2 -0.197200595564E+04 -0.22171E-03 -0.30267E-03 1936 0.538E-02 0.461E-02
DAV: 3 -0.197200592596E+04 0.29676E-04 -0.13671E-04 2104 0.175E-02 0.339E-02
DAV: 4 -0.197200592170E+04 0.42576E-05 -0.37586E-05 1296 0.634E-03
276 T= 4488. E= -.17857924E+04 F= -.19720059E+04 E0= -.19720014E+04 EK= 0.18621E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197189984494E+04 0.10608E+00 -0.67580E-04 2782 0.688E-01 0.749E-02
DAV: 2 -0.197190004105E+04 -0.19610E-03 -0.38809E-03 1912 0.675E-02 0.515E-02
DAV: 3 -0.197189999979E+04 0.41262E-04 -0.22173E-04 2224 0.232E-02 0.300E-02
DAV: 4 -0.197189999365E+04 0.61323E-05 -0.76046E-05 1728 0.100E-02
277 T= 4485. E= -.17857923E+04 F= -.19719000E+04 E0= -.19718960E+04 EK= 0.18611E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197179120550E+04 0.10879E+00 -0.53554E-04 2748 0.687E-01 0.882E-02
DAV: 2 -0.197179146555E+04 -0.26005E-03 -0.39373E-03 1912 0.703E-02 0.132E-01
DAV: 3 -0.197179144398E+04 0.21578E-04 -0.15177E-03 2024 0.292E-02 0.127E-01
DAV: 4 -0.197179130137E+04 0.14261E-03 -0.47410E-04 1856 0.169E-02 0.205E-02
DAV: 5 -0.197179130739E+04 -0.60166E-05 -0.39921E-05 1592 0.798E-03
278 T= 4483. E= -.17857923E+04 F= -.19717913E+04 E0= -.19717876E+04 EK= 0.18600E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197168033100E+04 0.11097E+00 -0.91162E-04 2772 0.687E-01 0.680E-02
DAV: 2 -0.197168060914E+04 -0.27814E-03 -0.31098E-03 1928 0.572E-02 0.123E-01
DAV: 3 -0.197168053660E+04 0.72540E-04 -0.99545E-04 2032 0.232E-02 0.868E-02
DAV: 4 -0.197168047348E+04 0.63123E-04 -0.26140E-04 1768 0.130E-02 0.168E-02
DAV: 5 -0.197168047432E+04 -0.84269E-06 -0.26608E-05 1248 0.636E-03
279 T= 4480. E= -.17857922E+04 F= -.19716805E+04 E0= -.19716772E+04 EK= 0.18589E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197156792194E+04 0.11255E+00 -0.11329E-03 2804 0.687E-01 0.425E-02
DAV: 2 -0.197156813133E+04 -0.20939E-03 -0.25559E-03 1944 0.463E-02 0.650E-02
DAV: 3 -0.197156812151E+04 0.98216E-05 -0.37476E-04 2016 0.162E-02 0.631E-02
DAV: 4 -0.197156808393E+04 0.37578E-04 -0.11488E-04 1624 0.907E-03 0.190E-02
DAV: 5 -0.197156807737E+04 0.65661E-05 -0.21068E-05 1192 0.696E-03
280 T= 4477. E= -.17857922E+04 F= -.19715681E+04 E0= -.19715651E+04 EK= 0.18578E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197145447354E+04 0.11361E+00 -0.79449E-04 2692 0.687E-01 0.269E-02
DAV: 2 -0.197145471183E+04 -0.23828E-03 -0.24717E-03 1936 0.437E-02 0.605E-02
DAV: 3 -0.197145468136E+04 0.30466E-04 -0.13912E-04 1942 0.137E-02 0.444E-02
DAV: 4 -0.197145467284E+04 0.85242E-05 -0.30245E-05 1128 0.560E-03
281 T= 4475. E= -.17857922E+04 F= -.19714547E+04 E0= -.19714519E+04 EK= 0.18566E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197134069424E+04 0.11399E+00 -0.91078E-04 2806 0.687E-01 0.977E-02
DAV: 2 -0.197134093955E+04 -0.24531E-03 -0.50943E-03 1920 0.807E-02 0.817E-02
DAV: 3 -0.197134086805E+04 0.71501E-04 -0.84764E-04 1992 0.323E-02 0.586E-02
DAV: 4 -0.197134083002E+04 0.38030E-04 -0.22316E-04 1904 0.145E-02 0.385E-02
DAV: 5 -0.197134082044E+04 0.95736E-05 -0.65718E-05 1264 0.668E-03
282 T= 4472. E= -.17857922E+04 F= -.19713408E+04 E0= -.19713383E+04 EK= 0.18555E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197122705384E+04 0.11378E+00 -0.63401E-04 2774 0.685E-01 0.119E-01
DAV: 2 -0.197122718226E+04 -0.12842E-03 -0.56264E-03 1920 0.902E-02 0.796E-02
DAV: 3 -0.197122718203E+04 0.23474E-06 -0.13131E-03 1992 0.350E-02 0.839E-02
DAV: 4 -0.197122711555E+04 0.66472E-04 -0.48366E-04 1896 0.161E-02 0.462E-02
DAV: 5 -0.197122710095E+04 0.14602E-04 -0.87788E-05 1488 0.805E-03 0.174E-02
DAV: 6 -0.197122709478E+04 0.61726E-05 -0.18090E-05 1088 0.646E-03
283 T= 4469. E= -.17857922E+04 F= -.19712271E+04 E0= -.19712247E+04 EK= 0.18543E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197111389429E+04 0.11321E+00 -0.59612E-04 2550 0.685E-01 0.661E-02
DAV: 2 -0.197111407636E+04 -0.18207E-03 -0.32087E-03 1912 0.597E-02 0.532E-02
DAV: 3 -0.197111406259E+04 0.13773E-04 -0.38827E-04 2128 0.204E-02 0.598E-02
DAV: 4 -0.197111403519E+04 0.27400E-04 -0.13401E-04 1640 0.873E-03 0.214E-02
DAV: 5 -0.197111403301E+04 0.21799E-05 -0.17352E-05 1032 0.536E-03
284 T= 4466. E= -.17857922E+04 F= -.19711140E+04 E0= -.19711118E+04 EK= 0.18532E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197100205724E+04 0.11198E+00 -0.37304E-04 1958 0.686E-01 0.477E-02
DAV: 2 -0.197100220892E+04 -0.15168E-03 -0.23275E-03 1912 0.489E-02 0.518E-02
DAV: 3 -0.197100218177E+04 0.27155E-04 -0.22320E-04 1990 0.169E-02 0.479E-02
DAV: 4 -0.197100216510E+04 0.16668E-04 -0.72700E-05 1440 0.756E-03 0.236E-02
DAV: 5 -0.197100215895E+04 0.61486E-05 -0.15019E-05 1024 0.572E-03
285 T= 4464. E= -.17857922E+04 F= -.19710022E+04 E0= -.19709999E+04 EK= 0.18521E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197089177675E+04 0.11039E+00 -0.85690E-04 2806 0.685E-01 0.554E-02
DAV: 2 -0.197089202353E+04 -0.24679E-03 -0.34440E-03 1920 0.587E-02 0.605E-02
DAV: 3 -0.197089197699E+04 0.46542E-04 -0.29212E-04 2120 0.201E-02 0.445E-02
DAV: 4 -0.197089196673E+04 0.10267E-04 -0.77972E-05 1552 0.794E-03 0.272E-02
DAV: 5 -0.197089196283E+04 0.39001E-05 -0.93795E-06 1000 0.374E-03
286 T= 4461. E= -.17857922E+04 F= -.19708920E+04 E0= -.19708897E+04 EK= 0.18510E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197078371224E+04 0.10825E+00 -0.92965E-04 2798 0.685E-01 0.799E-02
DAV: 2 -0.197078400653E+04 -0.29429E-03 -0.49522E-03 1920 0.741E-02 0.675E-02
DAV: 3 -0.197078396236E+04 0.44166E-04 -0.49664E-04 2214 0.258E-02 0.598E-02
DAV: 4 -0.197078393859E+04 0.23768E-04 -0.16586E-04 1816 0.101E-02 0.281E-02
DAV: 5 -0.197078393314E+04 0.54582E-05 -0.21925E-05 1056 0.613E-03
287 T= 4458. E= -.17857921E+04 F= -.19707839E+04 E0= -.19707814E+04 EK= 0.18499E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197067838600E+04 0.10555E+00 -0.84508E-04 2862 0.685E-01 0.921E-02
DAV: 2 -0.197067861875E+04 -0.23275E-03 -0.50689E-03 1904 0.795E-02 0.639E-02
DAV: 3 -0.197067858632E+04 0.32426E-04 -0.50541E-04 2216 0.280E-02 0.628E-02
DAV: 4 -0.197067855476E+04 0.31556E-04 -0.18021E-04 1880 0.112E-02 0.279E-02
DAV: 5 -0.197067854917E+04 0.55904E-05 -0.25952E-05 1128 0.619E-03
288 T= 4456. E= -.17857921E+04 F= -.19706785E+04 E0= -.19706759E+04 EK= 0.18489E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197057611423E+04 0.10244E+00 -0.50039E-04 2518 0.684E-01 0.908E-02
DAV: 2 -0.197057628601E+04 -0.17178E-03 -0.43860E-03 1904 0.756E-02 0.581E-02
DAV: 3 -0.197057625279E+04 0.33226E-04 -0.45048E-04 2208 0.261E-02 0.483E-02
DAV: 4 -0.197057623862E+04 0.14168E-04 -0.16559E-04 1816 0.985E-03 0.280E-02
DAV: 5 -0.197057623209E+04 0.65313E-05 -0.17984E-05 1048 0.575E-03
289 T= 4453. E= -.17857921E+04 F= -.19705762E+04 E0= -.19705733E+04 EK= 0.18478E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197047725538E+04 0.98983E-01 -0.80894E-04 2790 0.684E-01 0.748E-02
DAV: 2 -0.197047746299E+04 -0.20760E-03 -0.37730E-03 1920 0.660E-02 0.550E-02
DAV: 3 -0.197047745743E+04 0.55595E-05 -0.42875E-04 2160 0.232E-02 0.659E-02
DAV: 4 -0.197047741832E+04 0.39107E-04 -0.16855E-04 1840 0.102E-02 0.215E-02
DAV: 5 -0.197047741650E+04 0.18219E-05 -0.21754E-05 1064 0.571E-03
290 T= 4451. E= -.17857920E+04 F= -.19704774E+04 E0= -.19704742E+04 EK= 0.18469E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197038235662E+04 0.95062E-01 -0.99174E-04 2798 0.684E-01 0.690E-02
DAV: 2 -0.197038256121E+04 -0.20459E-03 -0.34698E-03 1920 0.614E-02 0.549E-02
DAV: 3 -0.197038256839E+04 -0.71811E-05 -0.49995E-04 2072 0.220E-02 0.768E-02
DAV: 4 -0.197038251303E+04 0.55361E-04 -0.20537E-04 1864 0.108E-02 0.203E-02
DAV: 5 -0.197038251053E+04 0.24952E-05 -0.21794E-05 1136 0.632E-03
291 T= 4449. E= -.17857920E+04 F= -.19703825E+04 E0= -.19703791E+04 EK= 0.18459E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197029172025E+04 0.90793E-01 -0.78930E-04 2606 0.684E-01 0.593E-02
DAV: 2 -0.197029192494E+04 -0.20469E-03 -0.30063E-03 1928 0.553E-02 0.698E-02
DAV: 3 -0.197029187585E+04 0.49094E-04 -0.62012E-04 1974 0.205E-02 0.510E-02
DAV: 4 -0.197029185256E+04 0.23289E-04 -0.15174E-04 1808 0.102E-02 0.249E-02
DAV: 5 -0.197029184931E+04 0.32549E-05 -0.22222E-05 992 0.471E-03
292 T= 4447. E= -.17857920E+04 F= -.19702918E+04 E0= -.19702881E+04 EK= 0.18450E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197020559633E+04 0.86256E-01 -0.78974E-04 2718 0.684E-01 0.623E-02
DAV: 2 -0.197020582839E+04 -0.23206E-03 -0.34447E-03 1928 0.585E-02 0.693E-02
DAV: 3 -0.197020578939E+04 0.39006E-04 -0.64239E-04 1992 0.217E-02 0.554E-02
DAV: 4 -0.197020576110E+04 0.28290E-04 -0.17050E-04 1832 0.105E-02 0.253E-02
DAV: 5 -0.197020575829E+04 0.28048E-05 -0.22987E-05 1040 0.484E-03
293 T= 4444. E= -.17857920E+04 F= -.19702058E+04 E0= -.19702015E+04 EK= 0.18441E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197012441665E+04 0.81344E-01 -0.77824E-04 2654 0.683E-01 0.700E-02
DAV: 2 -0.197012460369E+04 -0.18704E-03 -0.34529E-03 1920 0.630E-02 0.591E-02
DAV: 3 -0.197012458978E+04 0.13908E-04 -0.44999E-04 2016 0.236E-02 0.692E-02
DAV: 4 -0.197012454893E+04 0.40853E-04 -0.17480E-04 1840 0.105E-02 0.239E-02
DAV: 5 -0.197012454554E+04 0.33895E-05 -0.18683E-05 1016 0.575E-03
294 T= 4443. E= -.17857920E+04 F= -.19701245E+04 E0= -.19701200E+04 EK= 0.18433E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.197004826993E+04 0.76279E-01 -0.10581E-03 2798 0.683E-01 0.737E-02
DAV: 2 -0.197004850509E+04 -0.23516E-03 -0.39811E-03 1920 0.665E-02 0.613E-02
DAV: 3 -0.197004846775E+04 0.37343E-04 -0.42014E-04 2078 0.243E-02 0.477E-02
DAV: 4 -0.197004844559E+04 0.22160E-04 -0.14462E-04 1848 0.109E-02 0.264E-02
DAV: 5 -0.197004844164E+04 0.39500E-05 -0.38107E-05 1096 0.586E-03
295 T= 4441. E= -.17857920E+04 F= -.19700484E+04 E0= -.19700434E+04 EK= 0.18426E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196997750722E+04 0.70938E-01 -0.10992E-03 2822 0.683E-01 0.750E-02
DAV: 2 -0.196997773089E+04 -0.22368E-03 -0.39014E-03 1912 0.664E-02 0.616E-02
DAV: 3 -0.196997771512E+04 0.15770E-04 -0.57100E-04 2070 0.247E-02 0.669E-02
DAV: 4 -0.196997767442E+04 0.40701E-04 -0.21723E-04 1856 0.113E-02 0.256E-02
DAV: 5 -0.196997767025E+04 0.41701E-05 -0.21305E-05 1088 0.669E-03
296 T= 4439. E= -.17857921E+04 F= -.19699777E+04 E0= -.19699721E+04 EK= 0.18419E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196991225883E+04 0.65416E-01 -0.65173E-04 2630 0.683E-01 0.750E-02
DAV: 2 -0.196991251768E+04 -0.25885E-03 -0.42119E-03 1920 0.675E-02 0.889E-02
DAV: 3 -0.196991245589E+04 0.61791E-04 -0.11080E-03 1990 0.259E-02 0.715E-02
DAV: 4 -0.196991240813E+04 0.47754E-04 -0.26418E-04 1896 0.129E-02 0.293E-02
DAV: 5 -0.196991240422E+04 0.39192E-05 -0.31883E-05 1104 0.575E-03
297 T= 4437. E= -.17857921E+04 F= -.19699124E+04 E0= -.19699063E+04 EK= 0.18412E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196985260472E+04 0.59803E-01 -0.89806E-04 2718 0.683E-01 0.807E-02
DAV: 2 -0.196985282868E+04 -0.22396E-03 -0.41571E-03 1912 0.709E-02 0.769E-02
DAV: 3 -0.196985279313E+04 0.35559E-04 -0.80117E-04 1968 0.274E-02 0.756E-02
DAV: 4 -0.196985274283E+04 0.50292E-04 -0.27415E-04 1888 0.127E-02 0.285E-02
DAV: 5 -0.196985273873E+04 0.41036E-05 -0.37291E-05 1128 0.646E-03
298 T= 4436. E= -.17857921E+04 F= -.19698527E+04 E0= -.19698463E+04 EK= 0.18406E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196979858361E+04 0.54159E-01 -0.11946E-03 2790 0.683E-01 0.910E-02
DAV: 2 -0.196979884959E+04 -0.26598E-03 -0.49919E-03 1920 0.771E-02 0.908E-02
DAV: 3 -0.196979880414E+04 0.45454E-04 -0.12923E-03 1976 0.315E-02 0.827E-02
DAV: 4 -0.196979872700E+04 0.77136E-04 -0.38761E-04 1944 0.155E-02 0.364E-02
DAV: 5 -0.196979871870E+04 0.83038E-05 -0.75200E-05 1448 0.748E-03
299 T= 4435. E= -.17857921E+04 F= -.19697987E+04 E0= -.19697917E+04 EK= 0.18401E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196975028478E+04 0.48442E-01 -0.61962E-04 2286 0.684E-01 0.961E-02
DAV: 2 -0.196975044119E+04 -0.15640E-03 -0.41986E-03 1904 0.761E-02 0.836E-02
DAV: 3 -0.196975044019E+04 0.99429E-06 -0.11881E-03 1974 0.320E-02 0.945E-02
DAV: 4 -0.196975034415E+04 0.96039E-04 -0.44159E-04 1984 0.158E-02 0.344E-02
DAV: 5 -0.196975033660E+04 0.75568E-05 -0.78109E-05 1640 0.846E-03
300 T= 4434. E= -.17857921E+04 F= -.19697503E+04 E0= -.19697426E+04 EK= 0.18396E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196970742698E+04 0.42917E-01 -0.55376E-04 2294 0.683E-01 0.921E-02
DAV: 2 -0.196970772200E+04 -0.29502E-03 -0.49709E-03 1952 0.730E-02 0.132E-01
DAV: 3 -0.196970754883E+04 0.17316E-03 -0.22862E-03 1974 0.326E-02 0.758E-02
DAV: 4 -0.196970749570E+04 0.53136E-04 -0.35457E-04 1896 0.151E-02 0.352E-02
DAV: 5 -0.196970748671E+04 0.89908E-05 -0.60646E-05 1264 0.734E-03
301 T= 4432. E= -.17857921E+04 F= -.19697075E+04 E0= -.19696992E+04 EK= 0.18392E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196966997760E+04 0.37518E-01 -0.87162E-04 2350 0.683E-01 0.856E-02
DAV: 2 -0.196967018831E+04 -0.21071E-03 -0.39080E-03 1912 0.675E-02 0.111E-01
DAV: 3 -0.196967010295E+04 0.85357E-04 -0.17398E-03 1992 0.298E-02 0.869E-02
DAV: 4 -0.196967003624E+04 0.66706E-04 -0.38452E-04 1896 0.146E-02 0.335E-02
DAV: 5 -0.196967002836E+04 0.78799E-05 -0.71156E-05 1368 0.774E-03
302 T= 4432. E= -.17857922E+04 F= -.19696700E+04 E0= -.19696613E+04 EK= 0.18388E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196963770445E+04 0.32332E-01 -0.86536E-04 2150 0.683E-01 0.855E-02
DAV: 2 -0.196963789997E+04 -0.19551E-03 -0.38634E-03 1928 0.692E-02 0.937E-02
DAV: 3 -0.196963786281E+04 0.37161E-04 -0.14431E-03 1984 0.302E-02 0.896E-02
DAV: 4 -0.196963777369E+04 0.89118E-04 -0.44514E-04 1936 0.150E-02 0.333E-02
DAV: 5 -0.196963776525E+04 0.84363E-05 -0.60859E-05 1392 0.773E-03
303 T= 4431. E= -.17857922E+04 F= -.19696378E+04 E0= -.19696284E+04 EK= 0.18385E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196961036590E+04 0.27408E-01 -0.82038E-04 2422 0.684E-01 0.848E-02
DAV: 2 -0.196961054210E+04 -0.17620E-03 -0.36518E-03 1912 0.683E-02 0.891E-02
DAV: 3 -0.196961050942E+04 0.32679E-04 -0.11967E-03 1998 0.297E-02 0.871E-02
DAV: 4 -0.196961043367E+04 0.75752E-04 -0.39030E-04 1944 0.142E-02 0.319E-02
DAV: 5 -0.196961042530E+04 0.83692E-05 -0.49733E-05 1288 0.790E-03
304 T= 4430. E= -.17857923E+04 F= -.19696104E+04 E0= -.19696004E+04 EK= 0.18382E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196958754534E+04 0.22888E-01 -0.87189E-04 2126 0.684E-01 0.772E-02
DAV: 2 -0.196958780932E+04 -0.26398E-03 -0.42126E-03 1928 0.685E-02 0.982E-02
DAV: 3 -0.196958774258E+04 0.66735E-04 -0.14620E-03 2000 0.291E-02 0.843E-02
DAV: 4 -0.196958766112E+04 0.81460E-04 -0.36899E-04 1928 0.145E-02 0.315E-02
DAV: 5 -0.196958765575E+04 0.53729E-05 -0.41435E-05 1224 0.671E-03
305 T= 4430. E= -.17857923E+04 F= -.19695877E+04 E0= -.19695770E+04 EK= 0.18380E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196956896416E+04 0.18697E-01 -0.82181E-04 2718 0.685E-01 0.860E-02
DAV: 2 -0.196956920482E+04 -0.24065E-03 -0.45251E-03 1912 0.740E-02 0.977E-02
DAV: 3 -0.196956917692E+04 0.27901E-04 -0.17850E-03 2000 0.326E-02 0.991E-02
DAV: 4 -0.196956906124E+04 0.11568E-03 -0.45682E-04 1952 0.163E-02 0.304E-02
DAV: 5 -0.196956905614E+04 0.51019E-05 -0.53288E-05 1584 0.778E-03
306 T= 4429. E= -.17857924E+04 F= -.19695691E+04 E0= -.19695576E+04 EK= 0.18378E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196955403124E+04 0.15030E-01 -0.77327E-04 2734 0.684E-01 0.965E-02
DAV: 2 -0.196955430736E+04 -0.27612E-03 -0.52280E-03 1920 0.775E-02 0.123E-01
DAV: 3 -0.196955418084E+04 0.12652E-03 -0.21240E-03 1992 0.344E-02 0.820E-02
DAV: 4 -0.196955411165E+04 0.69190E-04 -0.37189E-04 1928 0.161E-02 0.337E-02
DAV: 5 -0.196955410493E+04 0.67225E-05 -0.60833E-05 1384 0.743E-03
307 T= 4429. E= -.17857924E+04 F= -.19695541E+04 E0= -.19695419E+04 EK= 0.18376E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196954215994E+04 0.11952E-01 -0.13002E-03 2750 0.685E-01 0.902E-02
DAV: 2 -0.196954239920E+04 -0.23926E-03 -0.45751E-03 1944 0.730E-02 0.109E-01
DAV: 3 -0.196954233928E+04 0.59915E-04 -0.19202E-03 2006 0.330E-02 0.934E-02
DAV: 4 -0.196954225246E+04 0.86820E-04 -0.43324E-04 1888 0.158E-02 0.340E-02
DAV: 5 -0.196954224408E+04 0.83852E-05 -0.81009E-05 1480 0.791E-03
308 T= 4428. E= -.17857925E+04 F= -.19695422E+04 E0= -.19695295E+04 EK= 0.18375E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196953278716E+04 0.94653E-02 -0.10788E-03 2510 0.686E-01 0.868E-02
DAV: 2 -0.196953306794E+04 -0.28078E-03 -0.47013E-03 1952 0.714E-02 0.120E-01
DAV: 3 -0.196953295834E+04 0.10960E-03 -0.25495E-03 2000 0.338E-02 0.937E-02
DAV: 4 -0.196953285400E+04 0.10434E-03 -0.49782E-04 1928 0.162E-02 0.344E-02
DAV: 5 -0.196953284359E+04 0.10412E-04 -0.60428E-05 1536 0.814E-03 0.185E-02
DAV: 6 -0.196953283718E+04 0.64099E-05 -0.19449E-05 1056 0.511E-03
309 T= 4428. E= -.17857925E+04 F= -.19695328E+04 E0= -.19695192E+04 EK= 0.18374E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196952506708E+04 0.77765E-02 -0.49479E-04 2646 0.686E-01 0.616E-02
DAV: 2 -0.196952531749E+04 -0.25041E-03 -0.34131E-03 1936 0.551E-02 0.101E-01
DAV: 3 -0.196952520213E+04 0.11537E-03 -0.11866E-03 1992 0.233E-02 0.530E-02
DAV: 4 -0.196952517009E+04 0.32041E-04 -0.18597E-04 1808 0.116E-02 0.283E-02
DAV: 5 -0.196952516385E+04 0.62304E-05 -0.30815E-05 1088 0.560E-03
310 T= 4428. E= -.17857926E+04 F= -.19695252E+04 E0= -.19695108E+04 EK= 0.18373E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196951836292E+04 0.68072E-02 -0.50119E-04 2110 0.688E-01 0.612E-02
DAV: 2 -0.196951853059E+04 -0.16767E-03 -0.30764E-03 1928 0.579E-02 0.613E-02
DAV: 3 -0.196951847975E+04 0.50844E-04 -0.40250E-04 2032 0.229E-02 0.441E-02
DAV: 4 -0.196951846126E+04 0.18489E-04 -0.14676E-04 1784 0.101E-02 0.260E-02
DAV: 5 -0.196951845190E+04 0.93596E-05 -0.27720E-05 1080 0.603E-03
311 T= 4428. E= -.17857927E+04 F= -.19695185E+04 E0= -.19695032E+04 EK= 0.18373E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196951166245E+04 0.67988E-02 -0.10605E-03 2798 0.687E-01 0.799E-02
DAV: 2 -0.196951209432E+04 -0.43187E-03 -0.53828E-03 1928 0.728E-02 0.151E-01
DAV: 3 -0.196951186210E+04 0.23222E-03 -0.20365E-03 1984 0.337E-02 0.776E-02
DAV: 4 -0.196951181142E+04 0.50682E-04 -0.29884E-04 1840 0.158E-02 0.368E-02
DAV: 5 -0.196951180301E+04 0.84091E-05 -0.54422E-05 1312 0.699E-03
312 T= 4428. E= -.17857927E+04 F= -.19695118E+04 E0= -.19694958E+04 EK= 0.18372E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196950419362E+04 0.76178E-02 -0.70462E-04 2710 0.687E-01 0.102E-01
DAV: 2 -0.196950460811E+04 -0.41449E-03 -0.68031E-03 1920 0.879E-02 0.146E-01
DAV: 3 -0.196950444868E+04 0.15943E-03 -0.30268E-03 2014 0.417E-02 0.109E-01
DAV: 4 -0.196950432211E+04 0.12658E-03 -0.65682E-04 1920 0.197E-02 0.394E-02
DAV: 5 -0.196950431132E+04 0.10781E-04 -0.93451E-05 1744 0.948E-03 0.225E-02
DAV: 6 -0.196950430244E+04 0.88848E-05 -0.30212E-05 1072 0.671E-03
313 T= 4428. E= -.17857929E+04 F= -.19695043E+04 E0= -.19694875E+04 EK= 0.18371E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196949478080E+04 0.95305E-02 -0.98111E-04 2836 0.687E-01 0.830E-02
DAV: 2 -0.196949504832E+04 -0.26753E-03 -0.48272E-03 1920 0.751E-02 0.769E-02
DAV: 3 -0.196949500218E+04 0.46147E-04 -0.86220E-04 1968 0.304E-02 0.687E-02
DAV: 4 -0.196949495361E+04 0.48566E-04 -0.29906E-04 1880 0.140E-02 0.300E-02
DAV: 5 -0.196949494664E+04 0.69754E-05 -0.43374E-05 1152 0.707E-03
314 T= 4427. E= -.17857930E+04 F= -.19694949E+04 E0= -.19694774E+04 EK= 0.18370E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196948243980E+04 0.12514E-01 -0.13833E-03 2812 0.689E-01 0.764E-02
DAV: 2 -0.196948277240E+04 -0.33259E-03 -0.51096E-03 1912 0.730E-02 0.915E-02
DAV: 3 -0.196948270061E+04 0.71793E-04 -0.11444E-03 1960 0.278E-02 0.703E-02
DAV: 4 -0.196948264554E+04 0.55065E-04 -0.34578E-04 1928 0.138E-02 0.332E-02
DAV: 5 -0.196948263767E+04 0.78751E-05 -0.42271E-05 1168 0.682E-03
315 T= 4427. E= -.17857931E+04 F= -.19694826E+04 E0= -.19694640E+04 EK= 0.18369E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196946607030E+04 0.16575E-01 -0.70247E-04 2820 0.690E-01 0.930E-02
DAV: 2 -0.196946643183E+04 -0.36153E-03 -0.61657E-03 1912 0.814E-02 0.122E-01
DAV: 3 -0.196946634681E+04 0.85016E-04 -0.29335E-03 2008 0.359E-02 0.103E-01
DAV: 4 -0.196946621524E+04 0.13158E-03 -0.64902E-04 1960 0.182E-02 0.355E-02
DAV: 5 -0.196946620566E+04 0.95745E-05 -0.59767E-05 1696 0.905E-03
316 T= 4427. E= -.17857932E+04 F= -.19694662E+04 E0= -.19694467E+04 EK= 0.18367E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196944435686E+04 0.21858E-01 -0.85869E-04 2812 0.689E-01 0.108E-01
DAV: 2 -0.196944475730E+04 -0.40044E-03 -0.67219E-03 1928 0.900E-02 0.145E-01
DAV: 3 -0.196944457814E+04 0.17916E-03 -0.26779E-03 1968 0.430E-02 0.951E-02
DAV: 4 -0.196944447968E+04 0.98469E-04 -0.58351E-04 1920 0.198E-02 0.435E-02
DAV: 5 -0.196944446309E+04 0.16588E-04 -0.12525E-04 1752 0.943E-03 0.213E-02
DAV: 6 -0.196944445537E+04 0.77198E-05 -0.30192E-05 1048 0.613E-03
317 T= 4426. E= -.17857933E+04 F= -.19694445E+04 E0= -.19694241E+04 EK= 0.18365E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196941602700E+04 0.28436E-01 -0.12310E-03 2870 0.689E-01 0.818E-02
DAV: 2 -0.196941645287E+04 -0.42588E-03 -0.52482E-03 1928 0.735E-02 0.137E-01
DAV: 3 -0.196941623055E+04 0.22233E-03 -0.15721E-03 1960 0.325E-02 0.609E-02
DAV: 4 -0.196941618610E+04 0.44443E-04 -0.18529E-04 1840 0.151E-02 0.266E-02
DAV: 5 -0.196941617971E+04 0.63981E-05 -0.43696E-05 1408 0.767E-03
318 T= 4425. E= -.17857934E+04 F= -.19694162E+04 E0= -.19693949E+04 EK= 0.18362E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196937994298E+04 0.36243E-01 -0.12280E-03 2894 0.690E-01 0.769E-02
DAV: 2 -0.196938075008E+04 -0.80709E-03 -0.76505E-03 1952 0.678E-02 0.229E-01
DAV: 3 -0.196938015120E+04 0.59888E-03 -0.40211E-03 2006 0.322E-02 0.631E-02
DAV: 4 -0.196938011087E+04 0.40326E-04 -0.21882E-04 1800 0.163E-02 0.348E-02
DAV: 5 -0.196938010349E+04 0.73839E-05 -0.51790E-05 1528 0.747E-03
319 T= 4425. E= -.17857935E+04 F= -.19693801E+04 E0= -.19693579E+04 EK= 0.18359E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196933477711E+04 0.45334E-01 -0.50460E-04 2838 0.690E-01 0.958E-02
DAV: 2 -0.196933572266E+04 -0.94555E-03 -0.76994E-03 1928 0.796E-02 0.253E-01
DAV: 3 -0.196933499827E+04 0.72440E-03 -0.41015E-03 1976 0.407E-02 0.877E-02
DAV: 4 -0.196933492588E+04 0.72386E-04 -0.53476E-04 1864 0.195E-02 0.417E-02
DAV: 5 -0.196933491820E+04 0.76764E-05 -0.58908E-05 1688 0.860E-03
320 T= 4423. E= -.17857936E+04 F= -.19693349E+04 E0= -.19693119E+04 EK= 0.18354E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196927928359E+04 0.55642E-01 -0.88041E-04 2838 0.691E-01 0.124E-01
DAV: 2 -0.196927976828E+04 -0.48470E-03 -0.79343E-03 1920 0.995E-02 0.163E-01
DAV: 3 -0.196927961406E+04 0.15423E-03 -0.36209E-03 1950 0.432E-02 0.131E-01
DAV: 4 -0.196927941868E+04 0.19538E-03 -0.12640E-03 2016 0.229E-02 0.476E-02
DAV: 5 -0.196927939722E+04 0.21462E-04 -0.16019E-04 1824 0.119E-02 0.258E-02
DAV: 6 -0.196927938823E+04 0.89878E-05 -0.35826E-05 1256 0.756E-03
321 T= 4422. E= -.17857937E+04 F= -.19692794E+04 E0= -.19692556E+04 EK= 0.18349E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196921222851E+04 0.67169E-01 -0.77739E-04 2884 0.690E-01 0.111E-01
DAV: 2 -0.196921264374E+04 -0.41523E-03 -0.68810E-03 1904 0.916E-02 0.149E-01
DAV: 3 -0.196921243852E+04 0.20522E-03 -0.25073E-03 1944 0.411E-02 0.911E-02
DAV: 4 -0.196921233232E+04 0.10620E-03 -0.41882E-04 1856 0.198E-02 0.313E-02
DAV: 5 -0.196921232624E+04 0.60813E-05 -0.66070E-05 1704 0.930E-03
322 T= 4420. E= -.17857938E+04 F= -.19692123E+04 E0= -.19691876E+04 EK= 0.18342E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196913252432E+04 0.79808E-01 -0.38613E-04 2564 0.690E-01 0.872E-02
DAV: 2 -0.196913285314E+04 -0.32882E-03 -0.50898E-03 1912 0.742E-02 0.130E-01
DAV: 3 -0.196913273633E+04 0.11681E-03 -0.21344E-03 2048 0.295E-02 0.905E-02
DAV: 4 -0.196913263897E+04 0.97361E-04 -0.53851E-04 1888 0.170E-02 0.340E-02
DAV: 5 -0.196913263028E+04 0.86920E-05 -0.86705E-05 1496 0.816E-03
323 T= 4419. E= -.17857939E+04 F= -.19691326E+04 E0= -.19691071E+04 EK= 0.18334E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196903926473E+04 0.93374E-01 -0.42483E-04 2756 0.689E-01 0.851E-02
DAV: 2 -0.196903959351E+04 -0.32877E-03 -0.44581E-03 1928 0.713E-02 0.130E-01
DAV: 3 -0.196903947555E+04 0.11796E-03 -0.16312E-03 1958 0.301E-02 0.922E-02
DAV: 4 -0.196903937923E+04 0.96318E-04 -0.61966E-04 1936 0.176E-02 0.354E-02
DAV: 5 -0.196903936753E+04 0.11700E-04 -0.79094E-05 1660 0.917E-03 0.214E-02
DAV: 6 -0.196903935350E+04 0.14033E-04 -0.27994E-05 1312 0.842E-03 0.133E-02
DAV: 7 -0.196903934479E+04 0.87123E-05 -0.35299E-05 1328 0.821E-03
324 T= 4416. E= -.17857940E+04 F= -.19690393E+04 E0= -.19690130E+04 EK= 0.18325E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196893169680E+04 0.10766E+00 -0.11468E-03 2830 0.687E-01 0.433E-02
DAV: 2 -0.196893199949E+04 -0.30270E-03 -0.33475E-03 1944 0.510E-02 0.895E-02
DAV: 3 -0.196893191733E+04 0.82162E-04 -0.49580E-04 1936 0.182E-02 0.526E-02
DAV: 4 -0.196893189484E+04 0.22493E-04 -0.10046E-04 1696 0.900E-03 0.336E-02
DAV: 5 -0.196893188662E+04 0.82207E-05 -0.20660E-05 1024 0.526E-03
325 T= 4414. E= -.17857941E+04 F= -.19689319E+04 E0= -.19689049E+04 EK= 0.18314E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196880969340E+04 0.12220E+00 -0.61901E-04 2790 0.688E-01 0.618E-02
DAV: 2 -0.196881010530E+04 -0.41190E-03 -0.51291E-03 1912 0.662E-02 0.134E-01
DAV: 3 -0.196880990477E+04 0.20053E-03 -0.12542E-03 1936 0.280E-02 0.709E-02
DAV: 4 -0.196880985940E+04 0.45367E-04 -0.22534E-04 1840 0.136E-02 0.424E-02
DAV: 5 -0.196880984697E+04 0.12433E-04 -0.43480E-05 1224 0.691E-03 0.358E-02
DAV: 6 -0.196880981061E+04 0.36358E-04 -0.12655E-04 1744 0.146E-02 0.322E-02
DAV: 7 -0.196880978011E+04 0.30500E-04 -0.14289E-04 1880 0.158E-02 0.179E-02
DAV: 8 -0.196880977385E+04 0.62542E-05 -0.53727E-05 1808 0.127E-02
326 T= 4411. E= -.17857941E+04 F= -.19688098E+04 E0= -.19687820E+04 EK= 0.18302E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196867322364E+04 0.13656E+00 -0.77466E-04 2644 0.690E-01 0.599E-02
DAV: 2 -0.196867349290E+04 -0.26925E-03 -0.25947E-03 2016 0.435E-02 0.143E-01
DAV: 3 -0.196867325141E+04 0.24149E-03 -0.84262E-04 1992 0.233E-02 0.510E-02
DAV: 4 -0.196867322923E+04 0.22184E-04 -0.16156E-04 1832 0.126E-02 0.338E-02
DAV: 5 -0.196867321587E+04 0.13360E-04 -0.29946E-04 1872 0.214E-02 0.466E-02
DAV: 6 -0.196867319185E+04 0.24017E-04 -0.26006E-04 1888 0.139E-02 0.284E-02
DAV: 7 -0.196867317867E+04 0.13183E-04 -0.42153E-05 1112 0.833E-03 0.131E-02
DAV: 8 -0.196867317083E+04 0.78340E-05 -0.23086E-05 1176 0.648E-03
327 T= 4407. E= -.17857941E+04 F= -.19686732E+04 E0= -.19686447E+04 EK= 0.18288E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196852260020E+04 0.15058E+00 -0.41969E-04 2574 0.686E-01 0.667E-02
DAV: 2 -0.196852261351E+04 -0.13311E-04 -0.15326E-03 1984 0.461E-02 0.558E-02
DAV: 3 -0.196852264343E+04 -0.29913E-04 -0.71548E-04 1942 0.228E-02 0.634E-02
DAV: 4 -0.196852259761E+04 0.45821E-04 -0.27651E-04 1760 0.105E-02 0.231E-02
DAV: 5 -0.196852259379E+04 0.38193E-05 -0.55470E-05 1184 0.613E-03
328 T= 4404. E= -.17857941E+04 F= -.19685226E+04 E0= -.19684935E+04 EK= 0.18273E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196835911199E+04 0.16349E+00 -0.56490E-04 2270 0.683E-01 0.694E-02
DAV: 2 -0.196835983580E+04 -0.72381E-03 -0.61712E-03 1984 0.524E-02 0.233E-01
DAV: 3 -0.196835915597E+04 0.67983E-03 -0.37652E-03 2024 0.329E-02 0.356E-02
DAV: 4 -0.196835915603E+04 -0.60070E-07 -0.13014E-04 1808 0.112E-02 0.223E-02
DAV: 5 -0.196835915135E+04 0.46787E-05 -0.27498E-05 1040 0.566E-03
329 T= 4400. E= -.17857940E+04 F= -.19683592E+04 E0= -.19683292E+04 EK= 0.18257E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196818455087E+04 0.17461E+00 -0.40328E-04 2014 0.682E-01 0.666E-02
DAV: 2 -0.196818529073E+04 -0.73986E-03 -0.68677E-03 1976 0.512E-02 0.239E-01
DAV: 3 -0.196818461187E+04 0.67886E-03 -0.43870E-03 1992 0.312E-02 0.431E-02
DAV: 4 -0.196818459927E+04 0.12597E-04 -0.11076E-04 1752 0.112E-02 0.217E-02
DAV: 5 -0.196818459491E+04 0.43623E-05 -0.19928E-05 1048 0.572E-03
330 T= 4396. E= -.17857939E+04 F= -.19681846E+04 E0= -.19681541E+04 EK= 0.18239E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196800119277E+04 0.18341E+00 -0.69630E-04 2654 0.681E-01 0.628E-02
DAV: 2 -0.196800152469E+04 -0.33193E-03 -0.37712E-03 1976 0.547E-02 0.132E-01
DAV: 3 -0.196800132971E+04 0.19498E-03 -0.16744E-03 1974 0.275E-02 0.600E-02
DAV: 4 -0.196800128970E+04 0.40007E-04 -0.23478E-04 1776 0.123E-02 0.293E-02
DAV: 5 -0.196800128240E+04 0.73075E-05 -0.49053E-05 1136 0.636E-03
331 T= 4391. E= -.17857938E+04 F= -.19680013E+04 E0= -.19679701E+04 EK= 0.18221E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196781212465E+04 0.18917E+00 -0.30592E-04 2486 0.681E-01 0.744E-02
DAV: 2 -0.196781233636E+04 -0.21171E-03 -0.35045E-03 1952 0.609E-02 0.926E-02
DAV: 3 -0.196781228425E+04 0.52114E-04 -0.13069E-03 1944 0.270E-02 0.779E-02
DAV: 4 -0.196781221519E+04 0.69060E-04 -0.33439E-04 1768 0.145E-02 0.294E-02
DAV: 5 -0.196781220891E+04 0.62821E-05 -0.55522E-05 1176 0.697E-03
332 T= 4387. E= -.17857935E+04 F= -.19678122E+04 E0= -.19677805E+04 EK= 0.18202E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196762086620E+04 0.19135E+00 -0.57114E-04 2294 0.679E-01 0.905E-02
DAV: 2 -0.196762113701E+04 -0.27081E-03 -0.45786E-03 1944 0.692E-02 0.136E-01
DAV: 3 -0.196762103615E+04 0.10086E-03 -0.29389E-03 1950 0.305E-02 0.102E-01
DAV: 4 -0.196762092422E+04 0.11193E-03 -0.71980E-04 1896 0.167E-02 0.343E-02
DAV: 5 -0.196762091501E+04 0.92161E-05 -0.80219E-05 1472 0.810E-03
333 T= 4382. E= -.17857934E+04 F= -.19676209E+04 E0= -.19675886E+04 EK= 0.18183E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196743121149E+04 0.18971E+00 -0.54356E-04 2710 0.678E-01 0.891E-02
DAV: 2 -0.196743144498E+04 -0.23349E-03 -0.44038E-03 1928 0.676E-02 0.127E-01
DAV: 3 -0.196743139041E+04 0.54566E-04 -0.30026E-03 1998 0.303E-02 0.105E-01
DAV: 4 -0.196743125965E+04 0.13076E-03 -0.66866E-04 1936 0.165E-02 0.290E-02
DAV: 5 -0.196743125282E+04 0.68274E-05 -0.71583E-05 1600 0.821E-03
334 T= 4378. E= -.17857931E+04 F= -.19674313E+04 E0= -.19673983E+04 EK= 0.18164E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196724709276E+04 0.18417E+00 -0.92442E-04 2694 0.676E-01 0.830E-02
DAV: 2 -0.196724759240E+04 -0.49964E-03 -0.49531E-03 1944 0.656E-02 0.184E-01
DAV: 3 -0.196724721618E+04 0.37622E-03 -0.23878E-03 1968 0.354E-02 0.666E-02
DAV: 4 -0.196724717674E+04 0.39435E-04 -0.36034E-04 1864 0.152E-02 0.356E-02
DAV: 5 -0.196724716512E+04 0.11626E-04 -0.10333E-04 1280 0.780E-03 0.184E-02
DAV: 6 -0.196724716153E+04 0.35832E-05 -0.27850E-05 1016 0.486E-03
335 T= 4373. E= -.17857929E+04 F= -.19672472E+04 E0= -.19672138E+04 EK= 0.18145E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196707242874E+04 0.17474E+00 -0.49552E-04 2590 0.674E-01 0.690E-02
DAV: 2 -0.196707296391E+04 -0.53517E-03 -0.42020E-03 1960 0.578E-02 0.186E-01
DAV: 3 -0.196707254201E+04 0.42190E-03 -0.19477E-03 1974 0.312E-02 0.506E-02
DAV: 4 -0.196707252094E+04 0.21068E-04 -0.12677E-04 1792 0.122E-02 0.260E-02
DAV: 5 -0.196707251765E+04 0.32943E-05 -0.24262E-05 1102 0.517E-03
336 T= 4369. E= -.17857927E+04 F= -.19670725E+04 E0= -.19670386E+04 EK= 0.18128E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196691067867E+04 0.16184E+00 -0.54545E-04 2470 0.674E-01 0.739E-02
DAV: 2 -0.196691097450E+04 -0.29583E-03 -0.42456E-03 1944 0.623E-02 0.137E-01
DAV: 3 -0.196691080834E+04 0.16616E-03 -0.24555E-03 1984 0.312E-02 0.815E-02
DAV: 4 -0.196691072600E+04 0.82338E-04 -0.37688E-04 1880 0.152E-02 0.314E-02
DAV: 5 -0.196691071449E+04 0.11511E-04 -0.49950E-05 1496 0.788E-03 0.185E-02
DAV: 6 -0.196691070328E+04 0.11211E-04 -0.38533E-05 1224 0.727E-03 0.205E-02
DAV: 7 -0.196691068254E+04 0.20746E-04 -0.60916E-05 1616 0.111E-02 0.150E-02
DAV: 8 -0.196691067442E+04 0.81142E-05 -0.34673E-05 1320 0.902E-03
337 T= 4365. E= -.17857926E+04 F= -.19669107E+04 E0= -.19668763E+04 EK= 0.18112E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196676424196E+04 0.14644E+00 -0.60471E-04 2566 0.674E-01 0.407E-02
DAV: 2 -0.196676452077E+04 -0.27881E-03 -0.27374E-03 2024 0.362E-02 0.128E-01
DAV: 3 -0.196676433749E+04 0.18328E-03 -0.12158E-03 1968 0.180E-02 0.367E-02
DAV: 4 -0.196676432109E+04 0.16398E-04 -0.63379E-05 1424 0.871E-03 0.208E-02
DAV: 5 -0.196676431432E+04 0.67751E-05 -0.19535E-05 1056 0.621E-03
338 T= 4362. E= -.17857925E+04 F= -.19667643E+04 E0= -.19667295E+04 EK= 0.18097E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196663508026E+04 0.12924E+00 -0.73749E-04 2630 0.673E-01 0.536E-02
DAV: 2 -0.196663541465E+04 -0.33439E-03 -0.31221E-03 1960 0.490E-02 0.154E-01
DAV: 3 -0.196663513464E+04 0.28001E-03 -0.13366E-03 1974 0.271E-02 0.557E-02
DAV: 4 -0.196663510399E+04 0.30648E-04 -0.11717E-04 1816 0.108E-02 0.301E-02
DAV: 5 -0.196663509106E+04 0.12930E-04 -0.72189E-05 1488 0.799E-03 0.289E-02
DAV: 6 -0.196663506978E+04 0.21278E-04 -0.14151E-04 1768 0.111E-02 0.265E-02
DAV: 7 -0.196663505388E+04 0.15900E-04 -0.58500E-05 1248 0.729E-03 0.155E-02
DAV: 8 -0.196663504813E+04 0.57506E-05 -0.14152E-05 1064 0.468E-03
339 T= 4358. E= -.17857925E+04 F= -.19666350E+04 E0= -.19665998E+04 EK= 0.18084E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196652348210E+04 0.11157E+00 -0.63815E-04 2580 0.672E-01 0.525E-02
DAV: 2 -0.196652382463E+04 -0.34253E-03 -0.25255E-03 2040 0.399E-02 0.154E-01
DAV: 3 -0.196652352240E+04 0.30223E-03 -0.10994E-03 1992 0.249E-02 0.382E-02
DAV: 4 -0.196652351448E+04 0.79192E-05 -0.70372E-05 1664 0.840E-03
340 T= 4356. E= -.17857926E+04 F= -.19665235E+04 E0= -.19664878E+04 EK= 0.18073E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196642920629E+04 0.94316E-01 -0.85588E-04 2638 0.671E-01 0.721E-02
DAV: 2 -0.196643006535E+04 -0.85906E-03 -0.61996E-03 2040 0.524E-02 0.273E-01
DAV: 3 -0.196642920846E+04 0.85689E-03 -0.45743E-03 2080 0.341E-02 0.618E-02
DAV: 4 -0.196642917829E+04 0.30171E-04 -0.27423E-04 1784 0.129E-02 0.277E-02
DAV: 5 -0.196642915755E+04 0.20733E-04 -0.42867E-05 1640 0.919E-03 0.184E-02
DAV: 6 -0.196642913112E+04 0.26433E-04 -0.58785E-05 1608 0.145E-02 0.273E-02
DAV: 7 -0.196642910589E+04 0.25227E-04 -0.65745E-05 1776 0.131E-02 0.202E-02
DAV: 8 -0.196642910012E+04 0.57720E-05 -0.32307E-05 1200 0.705E-03
341 T= 4353. E= -.17857927E+04 F= -.19664291E+04 E0= -.19663930E+04 EK= 0.18064E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196635023986E+04 0.78866E-01 -0.10541E-03 2710 0.674E-01 0.741E-02
DAV: 2 -0.196635117862E+04 -0.93876E-03 -0.61818E-03 2056 0.472E-02 0.277E-01
DAV: 3 -0.196635026877E+04 0.90985E-03 -0.40574E-03 2112 0.313E-02 0.496E-02
DAV: 4 -0.196635025820E+04 0.10572E-04 -0.22926E-04 1816 0.127E-02 0.237E-02
DAV: 5 -0.196635025106E+04 0.71345E-05 -0.66708E-05 1744 0.110E-02
342 T= 4352. E= -.17857929E+04 F= -.19663503E+04 E0= -.19663139E+04 EK= 0.18056E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196628466893E+04 0.65589E-01 -0.34437E-04 2148 0.673E-01 0.688E-02
DAV: 2 -0.196628506960E+04 -0.40068E-03 -0.20162E-03 2032 0.453E-02 0.198E-01
DAV: 3 -0.196628460569E+04 0.46391E-03 -0.15613E-03 2008 0.302E-02 0.464E-02
DAV: 4 -0.196628460113E+04 0.45553E-05 -0.39301E-04 1880 0.141E-02 0.435E-02
DAV: 5 -0.196628456711E+04 0.34027E-04 -0.20445E-04 1544 0.935E-03 0.293E-02
DAV: 6 -0.196628455227E+04 0.14841E-04 -0.69555E-05 1216 0.626E-03 0.191E-02
DAV: 7 -0.196628453608E+04 0.16184E-04 -0.25863E-05 1224 0.701E-03 0.124E-02
DAV: 8 -0.196628452598E+04 0.10104E-04 -0.18358E-05 1216 0.688E-03 0.109E-02
DAV: 9 -0.196628451767E+04 0.83063E-05 -0.13010E-05 1240 0.761E-03
343 T= 4350. E= -.17857931E+04 F= -.19662845E+04 E0= -.19662476E+04 EK= 0.18049E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196622900809E+04 0.55518E-01 -0.42147E-04 2318 0.673E-01 0.533E-02
DAV: 2 -0.196622938746E+04 -0.37938E-03 -0.19946E-03 2016 0.366E-02 0.181E-01
DAV: 3 -0.196622900387E+04 0.38359E-03 -0.10559E-03 1982 0.242E-02 0.246E-02
DAV: 4 -0.196622900276E+04 0.11141E-05 -0.80592E-05 1760 0.944E-03
344 T= 4349. E= -.17857934E+04 F= -.19662290E+04 E0= -.19661920E+04 EK= 0.18044E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196618046050E+04 0.48543E-01 -0.27531E-04 1728 0.671E-01 0.512E-02
DAV: 2 -0.196618089789E+04 -0.43738E-03 -0.36409E-03 1984 0.402E-02 0.203E-01
DAV: 3 -0.196618040443E+04 0.49346E-03 -0.23803E-03 2032 0.256E-02 0.348E-02
DAV: 4 -0.196618039191E+04 0.12517E-04 -0.10610E-04 1704 0.110E-02 0.316E-02
DAV: 5 -0.196618034977E+04 0.42134E-04 -0.42629E-05 1464 0.103E-02 0.212E-02
DAV: 6 -0.196618031790E+04 0.31870E-04 -0.67710E-05 1424 0.124E-02 0.273E-02
DAV: 7 -0.196618029694E+04 0.20965E-04 -0.56555E-05 1344 0.105E-02 0.180E-02
DAV: 8 -0.196618028870E+04 0.82360E-05 -0.22246E-05 1216 0.719E-03
345 T= 4347. E= -.17857935E+04 F= -.19661803E+04 E0= -.19661429E+04 EK= 0.18039E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196613538553E+04 0.44911E-01 -0.34943E-04 1576 0.677E-01 0.485E-02
DAV: 2 -0.196613573803E+04 -0.35250E-03 -0.30952E-03 2000 0.331E-02 0.187E-01
DAV: 3 -0.196613533247E+04 0.40556E-03 -0.21723E-03 2000 0.236E-02 0.316E-02
DAV: 4 -0.196613531973E+04 0.12741E-04 -0.83572E-05 1640 0.108E-02 0.286E-02
DAV: 5 -0.196613527592E+04 0.43810E-04 -0.24792E-05 1400 0.132E-02 0.193E-02
DAV: 6 -0.196613525018E+04 0.25739E-04 -0.48953E-05 1528 0.129E-02 0.175E-02
DAV: 7 -0.196613523480E+04 0.15373E-04 -0.37048E-05 1272 0.109E-02 0.143E-02
DAV: 8 -0.196613523045E+04 0.43568E-05 -0.24221E-05 1168 0.624E-03
346 T= 4346. E= -.17857937E+04 F= -.19661352E+04 E0= -.19660976E+04 EK= 0.18034E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196609069008E+04 0.44545E-01 -0.22391E-04 1596 0.673E-01 0.410E-02
DAV: 2 -0.196609091684E+04 -0.22676E-03 -0.17835E-03 2008 0.283E-02 0.126E-01
DAV: 3 -0.196609073743E+04 0.17941E-03 -0.96568E-04 1928 0.169E-02 0.362E-02
DAV: 4 -0.196609073239E+04 0.50403E-05 -0.54232E-05 1328 0.589E-03
347 T= 4345. E= -.17857939E+04 F= -.19660907E+04 E0= -.19660528E+04 EK= 0.18030E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196604410654E+04 0.46631E-01 -0.22961E-04 1558 0.674E-01 0.560E-02
DAV: 2 -0.196604449958E+04 -0.39304E-03 -0.19073E-03 2000 0.372E-02 0.179E-01
DAV: 3 -0.196604413522E+04 0.36436E-03 -0.10742E-03 1974 0.250E-02 0.296E-02
DAV: 4 -0.196604414751E+04 -0.12287E-04 -0.17587E-04 1704 0.929E-03 0.331E-02
DAV: 5 -0.196604413759E+04 0.99166E-05 -0.89979E-05 1086 0.554E-03
348 T= 4344. E= -.17857940E+04 F= -.19660441E+04 E0= -.19660059E+04 EK= 0.18025E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196599321967E+04 0.50928E-01 -0.40887E-04 1736 0.674E-01 0.620E-02
DAV: 2 -0.196599376452E+04 -0.54485E-03 -0.34442E-03 1952 0.387E-02 0.215E-01
DAV: 3 -0.196599326478E+04 0.49974E-03 -0.25957E-03 1960 0.256E-02 0.444E-02
DAV: 4 -0.196599325793E+04 0.68456E-05 -0.18728E-04 1640 0.108E-02 0.260E-02
DAV: 5 -0.196599324902E+04 0.89093E-05 -0.41349E-05 1168 0.760E-03
349 T= 4343. E= -.17857941E+04 F= -.19659932E+04 E0= -.19659549E+04 EK= 0.18020E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196593634371E+04 0.56914E-01 -0.39150E-04 2326 0.675E-01 0.586E-02
DAV: 2 -0.196593693285E+04 -0.58915E-03 -0.23601E-03 1992 0.444E-02 0.205E-01
DAV: 3 -0.196593643116E+04 0.50169E-03 -0.12522E-03 2032 0.270E-02 0.518E-02
DAV: 4 -0.196593641339E+04 0.17768E-04 -0.16395E-04 1768 0.913E-03 0.230E-02
DAV: 5 -0.196593641047E+04 0.29199E-05 -0.13385E-05 1008 0.447E-03
350 T= 4342. E= -.17857942E+04 F= -.19659364E+04 E0= -.19658979E+04 EK= 0.18014E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196587237220E+04 0.64041E-01 -0.41006E-04 2446 0.676E-01 0.669E-02
DAV: 2 -0.196587272830E+04 -0.35609E-03 -0.25784E-03 1952 0.534E-02 0.142E-01
DAV: 3 -0.196587249506E+04 0.23323E-03 -0.85206E-04 1966 0.261E-02 0.577E-02
DAV: 4 -0.196587247387E+04 0.21196E-04 -0.28870E-04 1792 0.111E-02 0.380E-02
DAV: 5 -0.196587245943E+04 0.14433E-04 -0.60918E-05 1048 0.659E-03 0.172E-02
DAV: 6 -0.196587245826E+04 0.11785E-05 -0.14221E-05 920 0.459E-03
351 T= 4340. E= -.17857942E+04 F= -.19658725E+04 E0= -.19658338E+04 EK= 0.18008E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196580057328E+04 0.71886E-01 -0.37071E-04 2548 0.676E-01 0.673E-02
DAV: 2 -0.196580073902E+04 -0.16574E-03 -0.25141E-03 1928 0.527E-02 0.775E-02
DAV: 3 -0.196580070476E+04 0.34264E-04 -0.51095E-04 1952 0.209E-02 0.664E-02
DAV: 4 -0.196580066275E+04 0.42009E-04 -0.23756E-04 1704 0.113E-02 0.295E-02
DAV: 5 -0.196580065594E+04 0.68107E-05 -0.53032E-05 1056 0.609E-03
352 T= 4338. E= -.17857942E+04 F= -.19658007E+04 E0= -.19657619E+04 EK= 0.18001E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196572052472E+04 0.80138E-01 -0.51745E-04 2460 0.677E-01 0.694E-02
DAV: 2 -0.196572084292E+04 -0.31821E-03 -0.31761E-03 1920 0.580E-02 0.141E-01
DAV: 3 -0.196572068382E+04 0.15910E-03 -0.15406E-03 1976 0.281E-02 0.760E-02
DAV: 4 -0.196572062247E+04 0.61349E-04 -0.31614E-04 1840 0.137E-02 0.273E-02
DAV: 5 -0.196572061841E+04 0.40618E-05 -0.47785E-05 1128 0.635E-03
353 T= 4336. E= -.17857942E+04 F= -.19657206E+04 E0= -.19656818E+04 EK= 0.17993E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196563218739E+04 0.88435E-01 -0.44455E-04 2492 0.677E-01 0.754E-02
DAV: 2 -0.196563244490E+04 -0.25751E-03 -0.30908E-03 1920 0.593E-02 0.128E-01
DAV: 3 -0.196563234725E+04 0.97651E-04 -0.15887E-03 1974 0.287E-02 0.867E-02
DAV: 4 -0.196563226818E+04 0.79071E-04 -0.41313E-04 1840 0.146E-02 0.277E-02
DAV: 5 -0.196563226330E+04 0.48825E-05 -0.52313E-05 1214 0.680E-03
354 T= 4334. E= -.17857942E+04 F= -.19656323E+04 E0= -.19655932E+04 EK= 0.17984E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196553562380E+04 0.96644E-01 -0.65783E-04 2552 0.676E-01 0.783E-02
DAV: 2 -0.196553588406E+04 -0.26025E-03 -0.32978E-03 1928 0.586E-02 0.135E-01
DAV: 3 -0.196553577795E+04 0.10610E-03 -0.17963E-03 1952 0.266E-02 0.869E-02
DAV: 4 -0.196553570264E+04 0.75311E-04 -0.44450E-04 1864 0.142E-02 0.309E-02
DAV: 5 -0.196553569588E+04 0.67635E-05 -0.63704E-05 1272 0.743E-03
355 T= 4332. E= -.17857941E+04 F= -.19655357E+04 E0= -.19654965E+04 EK= 0.17974E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196543108376E+04 0.10462E+00 -0.31753E-04 2222 0.676E-01 0.713E-02
DAV: 2 -0.196543134570E+04 -0.26194E-03 -0.30400E-03 1920 0.561E-02 0.136E-01
DAV: 3 -0.196543121813E+04 0.12757E-03 -0.19431E-03 1960 0.260E-02 0.833E-02
DAV: 4 -0.196543115228E+04 0.65850E-04 -0.40874E-04 1816 0.130E-02 0.308E-02
DAV: 5 -0.196543114409E+04 0.81834E-05 -0.45468E-05 1232 0.710E-03
356 T= 4329. E= -.17857941E+04 F= -.19654311E+04 E0= -.19653918E+04 EK= 0.17964E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196531882406E+04 0.11233E+00 -0.57296E-04 2446 0.678E-01 0.794E-02
DAV: 2 -0.196531930670E+04 -0.48263E-03 -0.35802E-03 1928 0.628E-02 0.189E-01
DAV: 3 -0.196531895928E+04 0.34741E-03 -0.19166E-03 1968 0.343E-02 0.715E-02
DAV: 4 -0.196531892224E+04 0.37042E-04 -0.36069E-04 1896 0.150E-02 0.411E-02
DAV: 5 -0.196531890726E+04 0.14983E-04 -0.83856E-05 1264 0.751E-03 0.179E-02
DAV: 6 -0.196531890557E+04 0.16855E-05 -0.18687E-05 984 0.449E-03
357 T= 4327. E= -.17857940E+04 F= -.19653189E+04 E0= -.19652792E+04 EK= 0.17952E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196519925708E+04 0.11965E+00 -0.40359E-04 2486 0.678E-01 0.749E-02
DAV: 2 -0.196519968506E+04 -0.42798E-03 -0.28676E-03 1936 0.564E-02 0.180E-01
DAV: 3 -0.196519936350E+04 0.32156E-03 -0.10335E-03 1926 0.301E-02 0.615E-02
DAV: 4 -0.196519933061E+04 0.32887E-04 -0.18710E-04 1776 0.140E-02 0.292E-02
DAV: 5 -0.196519932480E+04 0.58143E-05 -0.57413E-05 1184 0.629E-03
358 T= 4324. E= -.17857940E+04 F= -.19651993E+04 E0= -.19651592E+04 EK= 0.17941E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196507263656E+04 0.12669E+00 -0.45405E-04 2446 0.678E-01 0.652E-02
DAV: 2 -0.196507279250E+04 -0.15593E-03 -0.23032E-03 1928 0.530E-02 0.842E-02
DAV: 3 -0.196507278025E+04 0.12248E-04 -0.66708E-04 1952 0.232E-02 0.803E-02
DAV: 4 -0.196507271391E+04 0.66336E-04 -0.30259E-04 1832 0.123E-02 0.307E-02
DAV: 5 -0.196507270454E+04 0.93720E-05 -0.51390E-05 1096 0.643E-03
359 T= 4321. E= -.17857940E+04 F= -.19650727E+04 E0= -.19650322E+04 EK= 0.17928E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196493928790E+04 0.13343E+00 -0.21994E-04 1950 0.678E-01 0.750E-02
DAV: 2 -0.196493965420E+04 -0.36630E-03 -0.31658E-03 1944 0.573E-02 0.171E-01
DAV: 3 -0.196493939467E+04 0.25953E-03 -0.16052E-03 1944 0.276E-02 0.706E-02
DAV: 4 -0.196493935329E+04 0.41377E-04 -0.31236E-04 1792 0.135E-02 0.350E-02
DAV: 5 -0.196493934316E+04 0.10131E-04 -0.54442E-05 1168 0.684E-03 0.167E-02
DAV: 6 -0.196493934106E+04 0.20989E-05 -0.13251E-05 960 0.443E-03
360 T= 4318. E= -.17857939E+04 F= -.19649393E+04 E0= -.19648980E+04 EK= 0.17915E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196479948172E+04 0.13986E+00 -0.30036E-04 2126 0.678E-01 0.677E-02
DAV: 2 -0.196479984278E+04 -0.36106E-03 -0.30437E-03 1928 0.540E-02 0.161E-01
DAV: 3 -0.196479959725E+04 0.24554E-03 -0.12382E-03 1928 0.262E-02 0.617E-02
DAV: 4 -0.196479956463E+04 0.32617E-04 -0.17114E-04 1760 0.131E-02 0.288E-02
DAV: 5 -0.196479955823E+04 0.63957E-05 -0.44334E-05 1128 0.638E-03
361 T= 4314. E= -.17857939E+04 F= -.19647996E+04 E0= -.19647574E+04 EK= 0.17901E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196465363580E+04 0.14593E+00 -0.17372E-04 2372 0.678E-01 0.695E-02
DAV: 2 -0.196465392902E+04 -0.29322E-03 -0.31331E-03 1936 0.563E-02 0.149E-01
DAV: 3 -0.196465373712E+04 0.19190E-03 -0.17921E-03 1992 0.279E-02 0.767E-02
DAV: 4 -0.196465369060E+04 0.46517E-04 -0.36359E-04 1848 0.135E-02 0.410E-02
DAV: 5 -0.196465366981E+04 0.20790E-04 -0.69337E-05 1264 0.817E-03 0.154E-02
DAV: 6 -0.196465366564E+04 0.41678E-05 -0.20352E-05 1056 0.577E-03
362 T= 4311. E= -.17857938E+04 F= -.19646537E+04 E0= -.19646106E+04 EK= 0.17886E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196450188264E+04 0.15179E+00 -0.22612E-04 2126 0.678E-01 0.591E-02
DAV: 2 -0.196450217918E+04 -0.29653E-03 -0.25025E-03 1928 0.489E-02 0.144E-01
DAV: 3 -0.196450199137E+04 0.18781E-03 -0.11710E-03 1966 0.235E-02 0.637E-02
DAV: 4 -0.196450195867E+04 0.32697E-04 -0.23896E-04 1752 0.117E-02 0.360E-02
DAV: 5 -0.196450194481E+04 0.13857E-04 -0.46504E-05 1152 0.685E-03 0.160E-02
DAV: 6 -0.196450194158E+04 0.32336E-05 -0.12621E-05 968 0.483E-03
363 T= 4307. E= -.17857938E+04 F= -.19645019E+04 E0= -.19644584E+04 EK= 0.17871E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196434459239E+04 0.15735E+00 -0.26397E-04 2196 0.676E-01 0.499E-02
DAV: 2 -0.196434486934E+04 -0.27695E-03 -0.18752E-03 1944 0.443E-02 0.119E-01
DAV: 3 -0.196434469669E+04 0.17265E-03 -0.31599E-04 1968 0.214E-02 0.410E-02
DAV: 4 -0.196434468290E+04 0.13787E-04 -0.78433E-05 1664 0.939E-03 0.259E-02
DAV: 5 -0.196434467891E+04 0.39944E-05 -0.19843E-05 1016 0.435E-03
364 T= 4303. E= -.17857938E+04 F= -.19643447E+04 E0= -.19643010E+04 EK= 0.17855E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196418208258E+04 0.16260E+00 -0.31169E-04 2092 0.676E-01 0.720E-02
DAV: 2 -0.196418232570E+04 -0.24311E-03 -0.28857E-03 1920 0.579E-02 0.122E-01
DAV: 3 -0.196418219295E+04 0.13275E-03 -0.10097E-03 1942 0.274E-02 0.733E-02
DAV: 4 -0.196418215383E+04 0.39114E-04 -0.34444E-04 1832 0.131E-02 0.474E-02
DAV: 5 -0.196418212845E+04 0.25386E-04 -0.94209E-05 1264 0.825E-03 0.179E-02
DAV: 6 -0.196418212115E+04 0.72945E-05 -0.26909E-05 1336 0.704E-03
365 T= 4299. E= -.17857938E+04 F= -.19641821E+04 E0= -.19641384E+04 EK= 0.17839E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196401438850E+04 0.16774E+00 -0.36747E-04 2414 0.675E-01 0.715E-02
DAV: 2 -0.196401500331E+04 -0.61481E-03 -0.34185E-03 1936 0.596E-02 0.222E-01
DAV: 3 -0.196401448063E+04 0.52268E-03 -0.12139E-03 1960 0.324E-02 0.546E-02
DAV: 4 -0.196401446500E+04 0.15625E-04 -0.12832E-04 1800 0.136E-02 0.312E-02
DAV: 5 -0.196401445749E+04 0.75105E-05 -0.43713E-05 1200 0.673E-03
366 T= 4295. E= -.17857937E+04 F= -.19640145E+04 E0= -.19639707E+04 EK= 0.17822E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196384182845E+04 0.17264E+00 -0.24369E-04 2014 0.675E-01 0.780E-02
DAV: 2 -0.196384232559E+04 -0.49714E-03 -0.32838E-03 1936 0.629E-02 0.198E-01
DAV: 3 -0.196384192860E+04 0.39699E-03 -0.14615E-03 1952 0.333E-02 0.683E-02
DAV: 4 -0.196384189741E+04 0.31189E-04 -0.29853E-04 1840 0.158E-02 0.488E-02
DAV: 5 -0.196384187544E+04 0.21973E-04 -0.10586E-04 1448 0.793E-03 0.193E-02
DAV: 6 -0.196384187032E+04 0.51195E-05 -0.18630E-05 1088 0.581E-03
367 T= 4291. E= -.17857937E+04 F= -.19638419E+04 E0= -.19637979E+04 EK= 0.17805E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196366436832E+04 0.17751E+00 -0.17869E-04 2342 0.673E-01 0.663E-02
DAV: 2 -0.196366471519E+04 -0.34686E-03 -0.31548E-03 1928 0.591E-02 0.143E-01
DAV: 3 -0.196366455486E+04 0.16032E-03 -0.91013E-04 1958 0.268E-02 0.816E-02
DAV: 4 -0.196366448738E+04 0.67488E-04 -0.26557E-04 1848 0.145E-02 0.342E-02
DAV: 5 -0.196366448084E+04 0.65358E-05 -0.42987E-05 1190 0.668E-03
368 T= 4287. E= -.17857937E+04 F= -.19636645E+04 E0= -.19636203E+04 EK= 0.17787E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196348235246E+04 0.18213E+00 -0.53040E-04 2662 0.674E-01 0.826E-02
DAV: 2 -0.196348264053E+04 -0.28806E-03 -0.42158E-03 1936 0.694E-02 0.128E-01
DAV: 3 -0.196348257002E+04 0.70504E-04 -0.17251E-03 1992 0.315E-02 0.112E-01
DAV: 4 -0.196348245390E+04 0.11612E-03 -0.54479E-04 1936 0.159E-02 0.443E-02
DAV: 5 -0.196348243574E+04 0.18161E-04 -0.81276E-05 1520 0.884E-03 0.230E-02
DAV: 6 -0.196348243081E+04 0.49243E-05 -0.20012E-05 1024 0.555E-03
369 T= 4282. E= -.17857937E+04 F= -.19634824E+04 E0= -.19634383E+04 EK= 0.17769E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196329570369E+04 0.18673E+00 -0.49848E-04 2750 0.672E-01 0.931E-02
DAV: 2 -0.196329626456E+04 -0.56087E-03 -0.40084E-03 1936 0.725E-02 0.208E-01
DAV: 3 -0.196329584576E+04 0.41880E-03 -0.13040E-03 1968 0.372E-02 0.875E-02
DAV: 4 -0.196329576962E+04 0.76141E-04 -0.22784E-04 1824 0.179E-02 0.314E-02
DAV: 5 -0.196329576178E+04 0.78400E-05 -0.57261E-05 1712 0.891E-03
370 T= 4278. E= -.17857937E+04 F= -.19632958E+04 E0= -.19632517E+04 EK= 0.17750E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196310447141E+04 0.19130E+00 -0.51368E-04 2686 0.673E-01 0.888E-02
DAV: 2 -0.196310508437E+04 -0.61296E-03 -0.41517E-03 1944 0.710E-02 0.216E-01
DAV: 3 -0.196310462330E+04 0.46107E-03 -0.14140E-03 1976 0.378E-02 0.860E-02
DAV: 4 -0.196310456989E+04 0.53408E-04 -0.33025E-04 1904 0.176E-02 0.520E-02
DAV: 5 -0.196310454776E+04 0.22134E-04 -0.11562E-04 1672 0.841E-03 0.218E-02
DAV: 6 -0.196310454373E+04 0.40239E-05 -0.17130E-05 984 0.460E-03
371 T= 4273. E= -.17857936E+04 F= -.19631045E+04 E0= -.19630607E+04 EK= 0.17731E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196290876890E+04 0.19578E+00 -0.50806E-04 2750 0.672E-01 0.723E-02
DAV: 2 -0.196290910868E+04 -0.33978E-03 -0.32258E-03 1944 0.609E-02 0.142E-01
DAV: 3 -0.196290894817E+04 0.16051E-03 -0.98506E-04 1966 0.295E-02 0.887E-02
DAV: 4 -0.196290886991E+04 0.78256E-04 -0.26308E-04 1920 0.156E-02 0.407E-02
DAV: 5 -0.196290885602E+04 0.13891E-04 -0.69649E-05 1486 0.771E-03 0.212E-02
DAV: 6 -0.196290885037E+04 0.56550E-05 -0.16169E-05 1008 0.494E-03
372 T= 4269. E= -.17857936E+04 F= -.19629089E+04 E0= -.19628650E+04 EK= 0.17712E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196270855760E+04 0.20030E+00 -0.69834E-04 2790 0.670E-01 0.678E-02
DAV: 2 -0.196270899436E+04 -0.43677E-03 -0.32811E-03 1928 0.591E-02 0.165E-01
DAV: 3 -0.196270873352E+04 0.26084E-03 -0.84660E-04 1968 0.276E-02 0.670E-02
DAV: 4 -0.196270869283E+04 0.40690E-04 -0.15759E-04 1776 0.135E-02 0.335E-02
DAV: 5 -0.196270868435E+04 0.84794E-05 -0.37634E-05 1232 0.674E-03
373 T= 4264. E= -.17857936E+04 F= -.19627087E+04 E0= -.19626650E+04 EK= 0.17692E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196250399965E+04 0.20469E+00 -0.70307E-04 2814 0.668E-01 0.962E-02
DAV: 2 -0.196250508164E+04 -0.10820E-02 -0.56425E-03 1944 0.714E-02 0.306E-01
DAV: 3 -0.196250416855E+04 0.91309E-03 -0.32113E-03 1952 0.360E-02 0.912E-02
DAV: 4 -0.196250411109E+04 0.57458E-04 -0.43096E-04 1896 0.185E-02 0.531E-02
DAV: 5 -0.196250408099E+04 0.30096E-04 -0.90119E-05 1784 0.106E-02 0.213E-02
DAV: 6 -0.196250407774E+04 0.32536E-05 -0.23554E-05 1048 0.568E-03
374 T= 4259. E= -.17857935E+04 F= -.19625041E+04 E0= -.19624604E+04 EK= 0.17671E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196229499139E+04 0.20909E+00 -0.11125E-03 2814 0.668E-01 0.942E-02
DAV: 2 -0.196229585894E+04 -0.86755E-03 -0.61032E-03 1968 0.726E-02 0.280E-01
DAV: 3 -0.196229518673E+04 0.67221E-03 -0.36646E-03 1968 0.346E-02 0.948E-02
DAV: 4 -0.196229511708E+04 0.69644E-04 -0.37632E-04 1896 0.188E-02 0.523E-02
DAV: 5 -0.196229509175E+04 0.25336E-04 -0.78437E-05 1752 0.987E-03 0.216E-02
DAV: 6 -0.196229508679E+04 0.49631E-05 -0.18012E-05 1056 0.569E-03
375 T= 4254. E= -.17857935E+04 F= -.19622951E+04 E0= -.19622515E+04 EK= 0.17650E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196208157805E+04 0.21351E+00 -0.13289E-03 2886 0.667E-01 0.712E-02
DAV: 2 -0.196208217075E+04 -0.59270E-03 -0.41647E-03 1944 0.651E-02 0.195E-01
DAV: 3 -0.196208178304E+04 0.38771E-03 -0.13005E-03 1968 0.314E-02 0.675E-02
DAV: 4 -0.196208175226E+04 0.30784E-04 -0.24348E-04 1864 0.142E-02 0.449E-02
DAV: 5 -0.196208173376E+04 0.18496E-04 -0.58018E-05 1408 0.744E-03 0.222E-02
DAV: 6 -0.196208172771E+04 0.60501E-05 -0.18298E-05 1032 0.582E-03
376 T= 4249. E= -.17857935E+04 F= -.19620817E+04 E0= -.19620383E+04 EK= 0.17629E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196186385289E+04 0.21788E+00 -0.54658E-04 2790 0.668E-01 0.663E-02
DAV: 2 -0.196186445242E+04 -0.59952E-03 -0.36173E-03 1928 0.625E-02 0.198E-01
DAV: 3 -0.196186404473E+04 0.40768E-03 -0.81463E-04 1952 0.311E-02 0.654E-02
DAV: 4 -0.196186401177E+04 0.32963E-04 -0.11837E-04 1792 0.137E-02 0.385E-02
DAV: 5 -0.196186400453E+04 0.72386E-05 -0.33365E-05 1232 0.582E-03
377 T= 4243. E= -.17857935E+04 F= -.19618640E+04 E0= -.19618207E+04 EK= 0.17607E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196164190765E+04 0.22210E+00 -0.60874E-04 2798 0.666E-01 0.108E-01
DAV: 2 -0.196164261636E+04 -0.70871E-03 -0.63177E-03 1944 0.820E-02 0.239E-01
DAV: 3 -0.196164215320E+04 0.46316E-03 -0.35372E-03 1974 0.420E-02 0.131E-01
DAV: 4 -0.196164201816E+04 0.13504E-03 -0.62936E-04 2008 0.211E-02 0.688E-02
DAV: 5 -0.196164197052E+04 0.47639E-04 -0.17982E-04 1864 0.123E-02 0.245E-02
DAV: 6 -0.196164196448E+04 0.60469E-05 -0.34551E-05 1192 0.682E-03
378 T= 4238. E= -.17857934E+04 F= -.19616420E+04 E0= -.19615988E+04 EK= 0.17585E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196141562341E+04 0.22635E+00 -0.82190E-04 2820 0.664E-01 0.110E-01
DAV: 2 -0.196141644522E+04 -0.82181E-03 -0.53680E-03 1928 0.859E-02 0.257E-01
DAV: 3 -0.196141580359E+04 0.64163E-03 -0.16635E-03 1968 0.461E-02 0.104E-01
DAV: 4 -0.196141573681E+04 0.66776E-04 -0.46205E-04 1928 0.211E-02 0.710E-02
DAV: 5 -0.196141569205E+04 0.44761E-04 -0.17991E-04 1808 0.104E-02 0.256E-02
DAV: 6 -0.196141568512E+04 0.69266E-05 -0.27420E-05 1112 0.608E-03
379 T= 4233. E= -.17857934E+04 F= -.19614157E+04 E0= -.19613727E+04 EK= 0.17562E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196118514579E+04 0.23055E+00 -0.81340E-04 2838 0.662E-01 0.911E-02
DAV: 2 -0.196118625813E+04 -0.11123E-02 -0.46242E-03 1976 0.777E-02 0.289E-01
DAV: 3 -0.196118528510E+04 0.97303E-03 -0.13798E-03 1990 0.442E-02 0.635E-02
DAV: 4 -0.196118527171E+04 0.13389E-04 -0.22511E-04 1888 0.164E-02 0.418E-02
DAV: 5 -0.196118525770E+04 0.14006E-04 -0.73620E-05 1616 0.805E-03 0.242E-02
DAV: 6 -0.196118525385E+04 0.38492E-05 -0.15695E-05 976 0.445E-03
380 T= 4227. E= -.17857934E+04 F= -.19611853E+04 E0= -.19611423E+04 EK= 0.17539E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196095067818E+04 0.23458E+00 -0.73633E-04 2780 0.662E-01 0.874E-02
DAV: 2 -0.196095168264E+04 -0.10045E-02 -0.55006E-03 1960 0.714E-02 0.293E-01
DAV: 3 -0.196095088267E+04 0.79997E-03 -0.30450E-03 1944 0.361E-02 0.888E-02
DAV: 4 -0.196095083535E+04 0.47315E-04 -0.37413E-04 1896 0.177E-02 0.576E-02
DAV: 5 -0.196095080368E+04 0.31676E-04 -0.67759E-05 1744 0.976E-03 0.260E-02
DAV: 6 -0.196095079862E+04 0.50557E-05 -0.19518E-05 1008 0.547E-03
381 T= 4221. E= -.17857934E+04 F= -.19609508E+04 E0= -.19609081E+04 EK= 0.17516E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196071234398E+04 0.23846E+00 -0.78554E-04 2870 0.660E-01 0.101E-01
DAV: 2 -0.196071330236E+04 -0.95838E-03 -0.69161E-03 1960 0.786E-02 0.279E-01
DAV: 3 -0.196071256855E+04 0.73380E-03 -0.35924E-03 1936 0.390E-02 0.108E-01
DAV: 4 -0.196071249363E+04 0.74922E-04 -0.58109E-04 1952 0.195E-02 0.640E-02
DAV: 5 -0.196071245327E+04 0.40362E-04 -0.13934E-04 1840 0.111E-02 0.262E-02
DAV: 6 -0.196071244783E+04 0.54370E-05 -0.21366E-05 1072 0.632E-03
382 T= 4216. E= -.17857933E+04 F= -.19607124E+04 E0= -.19606699E+04 EK= 0.17492E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196047029958E+04 0.24215E+00 -0.97499E-04 2862 0.661E-01 0.101E-01
DAV: 2 -0.196047104737E+04 -0.74780E-03 -0.53836E-03 1928 0.820E-02 0.233E-01
DAV: 3 -0.196047052311E+04 0.52426E-03 -0.16549E-03 1960 0.414E-02 0.994E-02
DAV: 4 -0.196047042320E+04 0.99908E-04 -0.26435E-04 1864 0.192E-02 0.359E-02
DAV: 5 -0.196047041415E+04 0.90529E-05 -0.67570E-05 1744 0.939E-03
383 T= 4210. E= -.17857933E+04 F= -.19604704E+04 E0= -.19604281E+04 EK= 0.17468E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.196022490883E+04 0.24551E+00 -0.86577E-04 2886 0.659E-01 0.110E-01
DAV: 2 -0.196022592051E+04 -0.10117E-02 -0.64153E-03 1960 0.810E-02 0.299E-01
DAV: 3 -0.196022507008E+04 0.85043E-03 -0.36646E-03 1950 0.410E-02 0.111E-01
DAV: 4 -0.196022498800E+04 0.82079E-04 -0.60357E-04 1976 0.217E-02 0.648E-02
DAV: 5 -0.196022494213E+04 0.45874E-04 -0.10204E-04 1856 0.122E-02 0.258E-02
DAV: 6 -0.196022493520E+04 0.69313E-05 -0.28074E-05 1112 0.658E-03
384 T= 4204. E= -.17857932E+04 F= -.19602249E+04 E0= -.19601828E+04 EK= 0.17443E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195997620601E+04 0.24874E+00 -0.99964E-04 2798 0.658E-01 0.101E-01
DAV: 2 -0.195997721596E+04 -0.10099E-02 -0.63304E-03 1968 0.732E-02 0.306E-01
DAV: 3 -0.195997638243E+04 0.83353E-03 -0.39444E-03 1952 0.363E-02 0.992E-02
DAV: 4 -0.195997632561E+04 0.56817E-04 -0.49702E-04 1952 0.199E-02 0.660E-02
DAV: 5 -0.195997627797E+04 0.47647E-04 -0.16507E-04 1824 0.116E-02 0.218E-02
DAV: 6 -0.195997627393E+04 0.40357E-05 -0.21858E-05 1168 0.624E-03
385 T= 4198. E= -.17857932E+04 F= -.19599763E+04 E0= -.19599343E+04 EK= 0.17418E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195972469468E+04 0.25158E+00 -0.75503E-04 2846 0.655E-01 0.812E-02
DAV: 2 -0.195972531309E+04 -0.61841E-03 -0.40307E-03 1992 0.651E-02 0.217E-01
DAV: 3 -0.195972482221E+04 0.49089E-03 -0.16762E-03 1952 0.339E-02 0.723E-02
DAV: 4 -0.195972478044E+04 0.41767E-04 -0.22937E-04 1848 0.148E-02 0.373E-02
DAV: 5 -0.195972476944E+04 0.11000E-04 -0.62711E-05 1472 0.777E-03 0.240E-02
DAV: 6 -0.195972476220E+04 0.72344E-05 -0.18188E-05 1032 0.513E-03
386 T= 4192. E= -.17857931E+04 F= -.19597248E+04 E0= -.19596830E+04 EK= 0.17393E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195947070260E+04 0.25407E+00 -0.47253E-04 2542 0.656E-01 0.840E-02
DAV: 2 -0.195947170732E+04 -0.10047E-02 -0.40990E-03 1960 0.705E-02 0.276E-01
DAV: 3 -0.195947079617E+04 0.91115E-03 -0.14712E-03 1968 0.437E-02 0.729E-02
DAV: 4 -0.195947077396E+04 0.22214E-04 -0.25310E-04 1888 0.156E-02 0.459E-02
DAV: 5 -0.195947075568E+04 0.18283E-04 -0.67742E-05 1592 0.783E-03 0.253E-02
DAV: 6 -0.195947075135E+04 0.43250E-05 -0.15304E-05 968 0.446E-03
387 T= 4186. E= -.17857931E+04 F= -.19594708E+04 E0= -.19594292E+04 EK= 0.17368E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195921461051E+04 0.25615E+00 -0.34826E-04 2752 0.655E-01 0.919E-02
DAV: 2 -0.195921534193E+04 -0.73142E-03 -0.34840E-03 1968 0.727E-02 0.241E-01
DAV: 3 -0.195921472321E+04 0.61872E-03 -0.10435E-03 1968 0.396E-02 0.862E-02
DAV: 4 -0.195921465829E+04 0.64916E-04 -0.27422E-04 1888 0.171E-02 0.375E-02
DAV: 5 -0.195921464675E+04 0.11546E-04 -0.64524E-05 1704 0.871E-03 0.237E-02
DAV: 6 -0.195921464166E+04 0.50859E-05 -0.22475E-05 1072 0.557E-03
388 T= 4180. E= -.17857930E+04 F= -.19592146E+04 E0= -.19591734E+04 EK= 0.17342E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195895684145E+04 0.25781E+00 -0.47742E-04 2552 0.655E-01 0.105E-01
DAV: 2 -0.195895791341E+04 -0.10720E-02 -0.62301E-03 1960 0.827E-02 0.291E-01
DAV: 3 -0.195895697337E+04 0.94005E-03 -0.25959E-03 2000 0.480E-02 0.106E-01
DAV: 4 -0.195895689886E+04 0.74503E-04 -0.40628E-04 1984 0.206E-02 0.616E-02
DAV: 5 -0.195895686496E+04 0.33900E-04 -0.16991E-04 1792 0.110E-02 0.289E-02
DAV: 6 -0.195895685837E+04 0.65910E-05 -0.26494E-05 1080 0.596E-03
389 T= 4173. E= -.17857929E+04 F= -.19589569E+04 E0= -.19589157E+04 EK= 0.17316E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195869792481E+04 0.25894E+00 -0.38659E-04 2622 0.653E-01 0.103E-01
DAV: 2 -0.195869874631E+04 -0.82150E-03 -0.51001E-03 1960 0.820E-02 0.254E-01
DAV: 3 -0.195869806917E+04 0.67714E-03 -0.20670E-03 1998 0.462E-02 0.113E-01
DAV: 4 -0.195869795605E+04 0.11312E-03 -0.45324E-04 1984 0.215E-02 0.586E-02
DAV: 5 -0.195869792555E+04 0.30498E-04 -0.16090E-04 1816 0.110E-02 0.298E-02
DAV: 6 -0.195869791628E+04 0.92743E-05 -0.26561E-05 1096 0.596E-03
390 T= 4167. E= -.17857929E+04 F= -.19586979E+04 E0= -.19586568E+04 EK= 0.17291E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195843828685E+04 0.25964E+00 -0.45161E-04 2636 0.652E-01 0.101E-01
DAV: 2 -0.195843885570E+04 -0.56885E-03 -0.39250E-03 1944 0.791E-02 0.210E-01
DAV: 3 -0.195843843579E+04 0.41990E-03 -0.93791E-04 1984 0.414E-02 0.102E-01
DAV: 4 -0.195843833891E+04 0.96884E-04 -0.30952E-04 1896 0.190E-02 0.433E-02
DAV: 5 -0.195843831965E+04 0.19255E-04 -0.92174E-05 1792 0.100E-02 0.217E-02
DAV: 6 -0.195843831086E+04 0.87923E-05 -0.28191E-05 1232 0.681E-03
391 T= 4161. E= -.17857928E+04 F= -.19584383E+04 E0= -.19583976E+04 EK= 0.17265E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195817850098E+04 0.25982E+00 -0.68402E-04 2878 0.649E-01 0.921E-02
DAV: 2 -0.195817978502E+04 -0.12840E-02 -0.67148E-03 1944 0.735E-02 0.320E-01
DAV: 3 -0.195817867422E+04 0.11108E-02 -0.33239E-03 1966 0.389E-02 0.872E-02
DAV: 4 -0.195817861942E+04 0.54792E-04 -0.36717E-04 1912 0.184E-02 0.478E-02
DAV: 5 -0.195817859994E+04 0.19488E-04 -0.69844E-05 1776 0.934E-03 0.266E-02
DAV: 6 -0.195817859493E+04 0.50014E-05 -0.13594E-05 984 0.492E-03
392 T= 4155. E= -.17857927E+04 F= -.19581786E+04 E0= -.19581380E+04 EK= 0.17239E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195791926422E+04 0.25934E+00 -0.86099E-04 2780 0.650E-01 0.913E-02
DAV: 2 -0.195792038490E+04 -0.11207E-02 -0.68951E-03 1952 0.763E-02 0.308E-01
DAV: 3 -0.195791946337E+04 0.92153E-03 -0.37385E-03 1944 0.383E-02 0.886E-02
DAV: 4 -0.195791940327E+04 0.60094E-04 -0.32816E-04 1872 0.192E-02 0.541E-02
DAV: 5 -0.195791937645E+04 0.26828E-04 -0.67728E-05 1784 0.979E-03 0.279E-02
DAV: 6 -0.195791936563E+04 0.10816E-04 -0.21836E-05 1136 0.672E-03 0.219E-02
DAV: 7 -0.195791934571E+04 0.19923E-04 -0.65658E-05 1760 0.131E-02 0.209E-02
DAV: 8 -0.195791933570E+04 0.10007E-04 -0.55148E-05 1672 0.103E-02 0.147E-02
DAV: 9 -0.195791932924E+04 0.64618E-05 -0.19432E-05 1280 0.991E-03
393 T= 4148. E= -.17857926E+04 F= -.19579193E+04 E0= -.19578789E+04 EK= 0.17213E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195766115455E+04 0.25818E+00 -0.50821E-04 2644 0.651E-01 0.519E-02
DAV: 2 -0.195766159413E+04 -0.43958E-03 -0.23109E-03 2016 0.441E-02 0.188E-01
DAV: 3 -0.195766121900E+04 0.37513E-03 -0.82118E-04 1976 0.234E-02 0.485E-02
DAV: 4 -0.195766120030E+04 0.18699E-04 -0.84754E-05 1704 0.104E-02 0.301E-02
DAV: 5 -0.195766119244E+04 0.78604E-05 -0.24478E-05 1168 0.630E-03
394 T= 4142. E= -.17857926E+04 F= -.19576612E+04 E0= -.19576208E+04 EK= 0.17187E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195740474902E+04 0.25645E+00 -0.55830E-04 2740 0.650E-01 0.671E-02
DAV: 2 -0.195740518542E+04 -0.43640E-03 -0.27670E-03 1984 0.514E-02 0.196E-01
DAV: 3 -0.195740481647E+04 0.36895E-03 -0.11820E-03 1960 0.260E-02 0.894E-02
DAV: 4 -0.195740472767E+04 0.88793E-04 -0.19919E-04 1872 0.141E-02 0.402E-02
DAV: 5 -0.195740469908E+04 0.28588E-04 -0.92435E-05 1864 0.131E-02 0.276E-02
DAV: 6 -0.195740467416E+04 0.24924E-04 -0.17315E-04 1872 0.189E-02 0.333E-02
DAV: 7 -0.195740465690E+04 0.17261E-04 -0.85851E-05 1536 0.973E-03 0.195E-02
DAV: 8 -0.195740465238E+04 0.45156E-05 -0.27794E-05 1072 0.536E-03
395 T= 4136. E= -.17857926E+04 F= -.19574047E+04 E0= -.19573647E+04 EK= 0.17161E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195715044593E+04 0.25421E+00 -0.33548E-04 2334 0.645E-01 0.600E-02
DAV: 2 -0.195715093962E+04 -0.49369E-03 -0.22432E-03 1984 0.383E-02 0.209E-01
DAV: 3 -0.195715046756E+04 0.47206E-03 -0.12298E-03 1958 0.235E-02 0.548E-02
DAV: 4 -0.195715044321E+04 0.24350E-04 -0.12681E-04 1768 0.114E-02 0.271E-02
DAV: 5 -0.195715044108E+04 0.21329E-05 -0.43885E-05 1656 0.931E-03
396 T= 4130. E= -.17857925E+04 F= -.19571504E+04 E0= -.19571107E+04 EK= 0.17136E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195689927048E+04 0.25117E+00 -0.52782E-04 2638 0.644E-01 0.651E-02
DAV: 2 -0.195689973773E+04 -0.46725E-03 -0.35510E-03 2120 0.462E-02 0.209E-01
DAV: 3 -0.195689923245E+04 0.50528E-03 -0.19121E-03 2088 0.285E-02 0.591E-02
DAV: 4 -0.195689920877E+04 0.23685E-04 -0.14075E-04 1816 0.122E-02 0.335E-02
DAV: 5 -0.195689918214E+04 0.26632E-04 -0.18485E-04 1968 0.212E-02 0.380E-02
DAV: 6 -0.195689916761E+04 0.14532E-04 -0.14243E-04 1888 0.142E-02 0.325E-02
DAV: 7 -0.195689915333E+04 0.14281E-04 -0.29310E-05 1136 0.768E-03 0.188E-02
DAV: 8 -0.195689915013E+04 0.31972E-05 -0.16904E-05 992 0.496E-03
397 T= 4124. E= -.17857925E+04 F= -.19568992E+04 E0= -.19568597E+04 EK= 0.17111E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195665137484E+04 0.24778E+00 -0.47458E-04 2198 0.646E-01 0.676E-02
DAV: 2 -0.195665204901E+04 -0.67417E-03 -0.26785E-03 2032 0.485E-02 0.234E-01
DAV: 3 -0.195665138144E+04 0.66757E-03 -0.11611E-03 2048 0.327E-02 0.488E-02
DAV: 4 -0.195665137621E+04 0.52362E-05 -0.89432E-05 1784 0.116E-02
398 T= 4118. E= -.17857924E+04 F= -.19566514E+04 E0= -.19566123E+04 EK= 0.17086E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195640784133E+04 0.24354E+00 -0.41594E-04 1710 0.644E-01 0.842E-02
DAV: 2 -0.195640950674E+04 -0.16654E-02 -0.61550E-03 2032 0.509E-02 0.386E-01
DAV: 3 -0.195640775712E+04 0.17496E-02 -0.37291E-03 2056 0.370E-02 0.341E-02
DAV: 4 -0.195640777857E+04 -0.21452E-04 -0.11903E-04 1816 0.111E-02 0.284E-02
DAV: 5 -0.195640776468E+04 0.13898E-04 -0.21789E-05 1264 0.778E-03 0.191E-02
DAV: 6 -0.195640775314E+04 0.11535E-04 -0.14630E-05 1240 0.880E-03 0.199E-02
DAV: 7 -0.195640773378E+04 0.19363E-04 -0.17220E-05 1304 0.120E-02 0.891E-03
DAV: 8 -0.195640773113E+04 0.26466E-05 -0.32730E-05 1264 0.796E-03
399 T= 4112. E= -.17857923E+04 F= -.19564077E+04 E0= -.19563688E+04 EK= 0.17062E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195616875372E+04 0.23898E+00 -0.45292E-04 1902 0.641E-01 0.716E-02
DAV: 2 -0.195617008347E+04 -0.13298E-02 -0.57063E-03 2000 0.411E-02 0.357E-01
DAV: 3 -0.195616874232E+04 0.13412E-02 -0.39386E-03 2024 0.302E-02 0.337E-02
DAV: 4 -0.195616875885E+04 -0.16530E-04 -0.87814E-05 1744 0.825E-03 0.240E-02
DAV: 5 -0.195616875604E+04 0.28114E-05 -0.11758E-05 1040 0.477E-03
400 T= 4106. E= -.17857923E+04 F= -.19561688E+04 E0= -.19561302E+04 EK= 0.17038E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195593498389E+04 0.23377E+00 -0.42385E-04 2292 0.639E-01 0.585E-02
DAV: 2 -0.195593549579E+04 -0.51190E-03 -0.25674E-03 2072 0.438E-02 0.197E-01
DAV: 3 -0.195593500552E+04 0.49027E-03 -0.12187E-03 2032 0.290E-02 0.458E-02
DAV: 4 -0.195593499948E+04 0.60411E-05 -0.11766E-04 1752 0.927E-03 0.252E-02
DAV: 5 -0.195593499047E+04 0.90073E-05 -0.36689E-05 1152 0.587E-03
401 T= 4101. E= -.17857922E+04 F= -.19559350E+04 E0= -.19558966E+04 EK= 0.17014E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195570686455E+04 0.22813E+00 -0.53159E-04 2388 0.640E-01 0.676E-02
DAV: 2 -0.195570742873E+04 -0.56418E-03 -0.30105E-03 2072 0.500E-02 0.198E-01
DAV: 3 -0.195570693414E+04 0.49459E-03 -0.15416E-03 2088 0.319E-02 0.645E-02
DAV: 4 -0.195570690823E+04 0.25904E-04 -0.14236E-04 1848 0.102E-02 0.263E-02
DAV: 5 -0.195570690277E+04 0.54643E-05 -0.18279E-05 1064 0.587E-03
402 T= 4095. E= -.17857922E+04 F= -.19557069E+04 E0= -.19556689E+04 EK= 0.16991E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195548484218E+04 0.22207E+00 -0.69259E-04 2796 0.641E-01 0.717E-02
DAV: 2 -0.195548538205E+04 -0.53987E-03 -0.28278E-03 1968 0.597E-02 0.180E-01
DAV: 3 -0.195548499942E+04 0.38263E-03 -0.81644E-04 1982 0.328E-02 0.708E-02
DAV: 4 -0.195548496052E+04 0.38901E-04 -0.17326E-04 1856 0.135E-02 0.335E-02
DAV: 5 -0.195548495177E+04 0.87456E-05 -0.34313E-05 1320 0.693E-03
403 T= 4090. E= -.17857921E+04 F= -.19554850E+04 E0= -.19554473E+04 EK= 0.16969E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195526940954E+04 0.21555E+00 -0.11105E-03 2862 0.640E-01 0.917E-02
DAV: 2 -0.195526981116E+04 -0.40162E-03 -0.46811E-03 1936 0.766E-02 0.148E-01
DAV: 3 -0.195526966796E+04 0.14320E-03 -0.13655E-03 1974 0.354E-02 0.108E-01
DAV: 4 -0.195526953812E+04 0.12984E-03 -0.31740E-04 1952 0.170E-02 0.368E-02
DAV: 5 -0.195526952640E+04 0.11725E-04 -0.90802E-05 1712 0.883E-03 0.210E-02
DAV: 6 -0.195526952144E+04 0.49605E-05 -0.26470E-05 1040 0.487E-03
404 T= 4085. E= -.17857921E+04 F= -.19552695E+04 E0= -.19552321E+04 EK= 0.16948E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195506075088E+04 0.20878E+00 -0.98978E-04 2830 0.638E-01 0.822E-02
DAV: 2 -0.195506113267E+04 -0.38179E-03 -0.43768E-03 1920 0.670E-02 0.135E-01
DAV: 3 -0.195506093989E+04 0.19279E-03 -0.12878E-03 1944 0.321E-02 0.760E-02
DAV: 4 -0.195506088008E+04 0.59808E-04 -0.12469E-04 1896 0.155E-02 0.366E-02
DAV: 5 -0.195506086880E+04 0.11275E-04 -0.53395E-05 1360 0.798E-03 0.171E-02
DAV: 6 -0.195506086669E+04 0.21154E-05 -0.17527E-05 992 0.497E-03
405 T= 4079. E= -.17857920E+04 F= -.19550609E+04 E0= -.19550241E+04 EK= 0.16927E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195485910550E+04 0.20176E+00 -0.75043E-04 2750 0.637E-01 0.633E-02
DAV: 2 -0.195485948909E+04 -0.38359E-03 -0.33430E-03 1936 0.553E-02 0.143E-01
DAV: 3 -0.195485927684E+04 0.21225E-03 -0.94287E-04 1952 0.255E-02 0.609E-02
DAV: 4 -0.195485924141E+04 0.35433E-04 -0.13725E-04 1768 0.127E-02 0.262E-02
DAV: 5 -0.195485923702E+04 0.43946E-05 -0.36115E-05 1096 0.589E-03
406 T= 4075. E= -.17857920E+04 F= -.19548592E+04 E0= -.19548229E+04 EK= 0.16907E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195466466468E+04 0.19458E+00 -0.69792E-04 2774 0.638E-01 0.680E-02
DAV: 2 -0.195466494335E+04 -0.27867E-03 -0.30161E-03 1936 0.577E-02 0.131E-01
DAV: 3 -0.195466482037E+04 0.12298E-03 -0.10668E-03 1960 0.236E-02 0.769E-02
DAV: 4 -0.195466475204E+04 0.68333E-04 -0.18853E-04 1776 0.127E-02 0.240E-02
DAV: 5 -0.195466474681E+04 0.52315E-05 -0.25684E-05 1208 0.626E-03
407 T= 4070. E= -.17857919E+04 F= -.19546647E+04 E0= -.19546293E+04 EK= 0.16887E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195447729713E+04 0.18745E+00 -0.80358E-04 2894 0.637E-01 0.873E-02
DAV: 2 -0.195447805016E+04 -0.75303E-03 -0.35777E-03 1936 0.668E-02 0.236E-01
DAV: 3 -0.195447742717E+04 0.62299E-03 -0.85384E-04 1958 0.381E-02 0.639E-02
DAV: 4 -0.195447739386E+04 0.33311E-04 -0.18497E-04 1960 0.167E-02 0.279E-02
DAV: 5 -0.195447738764E+04 0.62219E-05 -0.51665E-05 1598 0.805E-03
408 T= 4065. E= -.17857919E+04 F= -.19544774E+04 E0= -.19544429E+04 EK= 0.16869E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195429702751E+04 0.18037E+00 -0.36109E-04 2830 0.640E-01 0.906E-02
DAV: 2 -0.195429788315E+04 -0.85564E-03 -0.40672E-03 1952 0.675E-02 0.263E-01
DAV: 3 -0.195429712987E+04 0.75327E-03 -0.14938E-03 1952 0.382E-02 0.561E-02
DAV: 4 -0.195429711651E+04 0.13362E-04 -0.13904E-04 1864 0.155E-02 0.249E-02
DAV: 5 -0.195429711294E+04 0.35715E-05 -0.41277E-05 1488 0.690E-03
409 T= 4061. E= -.17857918E+04 F= -.19542971E+04 E0= -.19542641E+04 EK= 0.16851E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195412373900E+04 0.17338E+00 0.18560E-03 2486 0.641E-01 0.757E-02
DAV: 2 -0.195412392577E+04 -0.18677E-03 -0.24939E-03 1944 0.578E-02 0.119E-01
DAV: 3 -0.195412384554E+04 0.80226E-04 -0.71190E-04 1926 0.273E-02 0.823E-02
DAV: 4 -0.195412376760E+04 0.77944E-04 -0.99864E-05 1872 0.138E-02 0.227E-02
DAV: 5 -0.195412376223E+04 0.53713E-05 -0.30224E-05 1318 0.664E-03
410 T= 4057. E= -.17857918E+04 F= -.19541238E+04 E0= -.19540924E+04 EK= 0.16833E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195395730585E+04 0.16646E+00 -0.45889E-04 2726 0.644E-01 0.816E-02
DAV: 2 -0.195395758387E+04 -0.27802E-03 -0.32744E-03 2000 0.579E-02 0.181E-01
DAV: 3 -0.195395726956E+04 0.31431E-03 -0.15270E-03 1966 0.300E-02 0.714E-02
DAV: 4 -0.195395721054E+04 0.59024E-04 -0.23062E-04 1888 0.172E-02 0.348E-02
DAV: 5 -0.195395719667E+04 0.13862E-04 -0.13210E-04 1816 0.115E-02 0.241E-02
DAV: 6 -0.195395718476E+04 0.11911E-04 -0.84827E-05 1456 0.106E-02 0.240E-02
DAV: 7 -0.195395717501E+04 0.97508E-05 -0.44156E-05 1264 0.809E-03
411 T= 4053. E= -.17857918E+04 F= -.19539572E+04 E0= -.19539263E+04 EK= 0.16817E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195379708478E+04 0.16010E+00 -0.31396E-04 2206 0.634E-01 0.534E-02
DAV: 2 -0.195379754405E+04 -0.45927E-03 -0.17021E-03 1976 0.428E-02 0.183E-01
DAV: 3 -0.195379712270E+04 0.42135E-03 -0.49378E-04 1984 0.266E-02 0.395E-02
DAV: 4 -0.195379711918E+04 0.35255E-05 -0.90680E-05 1704 0.929E-03
412 T= 4049. E= -.17857918E+04 F= -.19537971E+04 E0= -.19537661E+04 EK= 0.16801E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195364318936E+04 0.15393E+00 -0.35907E-04 2502 0.634E-01 0.632E-02
DAV: 2 -0.195364338164E+04 -0.19228E-03 -0.24409E-03 1952 0.493E-02 0.123E-01
DAV: 3 -0.195364320955E+04 0.17209E-03 -0.89655E-04 1974 0.253E-02 0.515E-02
DAV: 4 -0.195364319014E+04 0.19411E-04 -0.84259E-05 1848 0.117E-02 0.399E-02
DAV: 5 -0.195364317362E+04 0.16522E-04 -0.65557E-05 1232 0.758E-03 0.297E-02
DAV: 6 -0.195364315608E+04 0.17544E-04 -0.52154E-05 1360 0.102E-02 0.285E-02
DAV: 7 -0.195364313922E+04 0.16856E-04 -0.44197E-05 1304 0.869E-03 0.173E-02
DAV: 8 -0.195364313368E+04 0.55418E-05 -0.24247E-05 1240 0.810E-03
413 T= 4045. E= -.17857917E+04 F= -.19536431E+04 E0= -.19536119E+04 EK= 0.16785E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195349485742E+04 0.14828E+00 -0.19466E-04 1542 0.636E-01 0.542E-02
DAV: 2 -0.195349500888E+04 -0.15146E-03 -0.16075E-03 1960 0.330E-02 0.110E-01
DAV: 3 -0.195349488731E+04 0.12157E-03 -0.61725E-04 1958 0.175E-02 0.445E-02
DAV: 4 -0.195349487194E+04 0.15372E-04 -0.52691E-05 1672 0.116E-02 0.355E-02
DAV: 5 -0.195349485468E+04 0.17260E-04 -0.51141E-05 1384 0.919E-03 0.255E-02
DAV: 6 -0.195349484258E+04 0.12102E-04 -0.53955E-05 1584 0.138E-02 0.313E-02
DAV: 7 -0.195349482812E+04 0.14461E-04 -0.45308E-05 1368 0.798E-03 0.146E-02
DAV: 8 -0.195349482618E+04 0.19343E-05 -0.21839E-05 1104 0.553E-03
414 T= 4042. E= -.17857918E+04 F= -.19534948E+04 E0= -.19534630E+04 EK= 0.16770E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195335162342E+04 0.14320E+00 -0.26207E-04 1924 0.633E-01 0.350E-02
DAV: 2 -0.195335174844E+04 -0.12502E-03 -0.10537E-03 1976 0.268E-02 0.834E-02
DAV: 3 -0.195335167534E+04 0.73106E-04 -0.27202E-04 1896 0.125E-02 0.266E-02
DAV: 4 -0.195335167273E+04 0.26064E-05 -0.24328E-05 1248 0.587E-03
415 T= 4038. E= -.17857918E+04 F= -.19533517E+04 E0= -.19533195E+04 EK= 0.16756E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195321303216E+04 0.13864E+00 -0.38857E-04 2230 0.633E-01 0.572E-02
DAV: 2 -0.195321342525E+04 -0.39309E-03 -0.21795E-03 2008 0.425E-02 0.169E-01
DAV: 3 -0.195321307302E+04 0.35223E-03 -0.88287E-04 1952 0.266E-02 0.375E-02
DAV: 4 -0.195321307976E+04 -0.67448E-05 -0.80391E-05 1736 0.102E-02
416 T= 4035. E= -.17857918E+04 F= -.19532131E+04 E0= -.19531805E+04 EK= 0.16742E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195307832723E+04 0.13475E+00 -0.33917E-04 1782 0.632E-01 0.623E-02
DAV: 2 -0.195307864583E+04 -0.31860E-03 -0.27611E-03 1960 0.472E-02 0.144E-01
DAV: 3 -0.195307840283E+04 0.24301E-03 -0.12942E-03 1960 0.260E-02 0.448E-02
DAV: 4 -0.195307839490E+04 0.79212E-05 -0.76642E-05 1744 0.117E-02
417 T= 4032. E= -.17857918E+04 F= -.19530784E+04 E0= -.19530453E+04 EK= 0.16729E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195294685890E+04 0.13154E+00 -0.43011E-04 2694 0.633E-01 0.783E-02
DAV: 2 -0.195294717052E+04 -0.31162E-03 -0.28982E-03 1912 0.621E-02 0.144E-01
DAV: 3 -0.195294698957E+04 0.18094E-03 -0.74998E-04 1998 0.292E-02 0.737E-02
DAV: 4 -0.195294694060E+04 0.48972E-04 -0.16685E-04 1840 0.136E-02 0.340E-02
DAV: 5 -0.195294692993E+04 0.10671E-04 -0.78068E-05 1220 0.678E-03 0.161E-02
DAV: 6 -0.195294692577E+04 0.41587E-05 -0.26379E-05 1344 0.661E-03
418 T= 4029. E= -.17857918E+04 F= -.19529469E+04 E0= -.19529135E+04 EK= 0.16716E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195281790980E+04 0.12902E+00 -0.27267E-04 1822 0.633E-01 0.668E-02
DAV: 2 -0.195281839536E+04 -0.48556E-03 -0.27488E-03 1952 0.494E-02 0.198E-01
DAV: 3 -0.195281798619E+04 0.40918E-03 -0.12631E-03 1968 0.251E-02 0.461E-02
DAV: 4 -0.195281797176E+04 0.14424E-04 -0.91724E-05 1752 0.119E-02 0.248E-02
DAV: 5 -0.195281796834E+04 0.34269E-05 -0.29050E-05 1080 0.580E-03
419 T= 4025. E= -.17857918E+04 F= -.19528180E+04 E0= -.19527843E+04 EK= 0.16703E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195269067358E+04 0.12730E+00 -0.40053E-04 2534 0.633E-01 0.553E-02
DAV: 2 -0.195269117659E+04 -0.50301E-03 -0.28759E-03 2008 0.490E-02 0.186E-01
DAV: 3 -0.195269076194E+04 0.41465E-03 -0.11128E-03 1976 0.271E-02 0.456E-02
DAV: 4 -0.195269075329E+04 0.86494E-05 -0.72090E-05 1776 0.941E-03
420 T= 4022. E= -.17857919E+04 F= -.19526908E+04 E0= -.19526568E+04 EK= 0.16690E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195256441437E+04 0.12635E+00 -0.44715E-04 2550 0.634E-01 0.862E-02
DAV: 2 -0.195256465150E+04 -0.23713E-03 -0.40217E-03 1904 0.695E-02 0.109E-01
DAV: 3 -0.195256455756E+04 0.93941E-04 -0.16015E-03 1968 0.319E-02 0.752E-02
DAV: 4 -0.195256448865E+04 0.68906E-04 -0.22263E-04 1864 0.154E-02 0.341E-02
DAV: 5 -0.195256448123E+04 0.74170E-05 -0.39186E-05 1320 0.700E-03
421 T= 4019. E= -.17857919E+04 F= -.19525645E+04 E0= -.19525303E+04 EK= 0.16677E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195243825742E+04 0.12623E+00 -0.58542E-04 2854 0.633E-01 0.971E-02
DAV: 2 -0.195243843165E+04 -0.17423E-03 -0.39963E-03 1920 0.737E-02 0.912E-02
DAV: 3 -0.195243840559E+04 0.26064E-04 -0.10281E-03 2000 0.331E-02 0.796E-02
DAV: 4 -0.195243832826E+04 0.77328E-04 -0.24833E-04 1896 0.160E-02 0.354E-02
DAV: 5 -0.195243831852E+04 0.97436E-05 -0.32265E-05 1432 0.810E-03
422 T= 4016. E= -.17857920E+04 F= -.19524383E+04 E0= -.19524039E+04 EK= 0.16665E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195231129870E+04 0.12703E+00 -0.52284E-04 2662 0.634E-01 0.830E-02
DAV: 2 -0.195231174658E+04 -0.44788E-03 -0.43986E-03 1928 0.682E-02 0.175E-01
DAV: 3 -0.195231147254E+04 0.27404E-03 -0.17102E-03 1942 0.330E-02 0.862E-02
DAV: 4 -0.195231140520E+04 0.67335E-04 -0.15376E-04 1904 0.161E-02 0.353E-02
DAV: 5 -0.195231139544E+04 0.97654E-05 -0.50192E-05 1584 0.825E-03
423 T= 4013. E= -.17857920E+04 F= -.19523114E+04 E0= -.19522767E+04 EK= 0.16652E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195218268404E+04 0.12872E+00 -0.66861E-04 2814 0.633E-01 0.815E-02
DAV: 2 -0.195218314295E+04 -0.45891E-03 -0.37622E-03 1928 0.685E-02 0.175E-01
DAV: 3 -0.195218284771E+04 0.29524E-03 -0.10271E-03 1944 0.344E-02 0.806E-02
DAV: 4 -0.195218278221E+04 0.65505E-04 -0.14503E-04 1888 0.158E-02 0.294E-02
DAV: 5 -0.195218277710E+04 0.51062E-05 -0.43514E-05 1552 0.748E-03
424 T= 4010. E= -.17857920E+04 F= -.19521828E+04 E0= -.19521479E+04 EK= 0.16639E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195205138238E+04 0.13140E+00 -0.72309E-04 2782 0.634E-01 0.863E-02
DAV: 2 -0.195205175304E+04 -0.37066E-03 -0.37890E-03 1928 0.673E-02 0.158E-01
DAV: 3 -0.195205158375E+04 0.16928E-03 -0.10985E-03 1960 0.314E-02 0.962E-02
DAV: 4 -0.195205148593E+04 0.97819E-04 -0.21960E-04 1864 0.160E-02 0.285E-02
DAV: 5 -0.195205148272E+04 0.32179E-05 -0.46861E-05 1536 0.758E-03
425 T= 4007. E= -.17857920E+04 F= -.19520515E+04 E0= -.19520165E+04 EK= 0.16626E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195191639594E+04 0.13509E+00 -0.53820E-04 2790 0.633E-01 0.817E-02
DAV: 2 -0.195191669430E+04 -0.29837E-03 -0.29413E-03 1936 0.639E-02 0.142E-01
DAV: 3 -0.195191655898E+04 0.13532E-03 -0.62271E-04 1950 0.313E-02 0.927E-02
DAV: 4 -0.195191647131E+04 0.87668E-04 -0.17870E-04 1848 0.149E-02 0.258E-02
DAV: 5 -0.195191646784E+04 0.34738E-05 -0.37412E-05 1544 0.726E-03
426 T= 4004. E= -.17857921E+04 F= -.19519165E+04 E0= -.19518816E+04 EK= 0.16612E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195177654507E+04 0.13993E+00 -0.55180E-04 2702 0.634E-01 0.709E-02
DAV: 2 -0.195177680614E+04 -0.26107E-03 -0.30777E-03 1968 0.598E-02 0.118E-01
DAV: 3 -0.195177670918E+04 0.96962E-04 -0.77572E-04 1966 0.285E-02 0.834E-02
DAV: 4 -0.195177663485E+04 0.74328E-04 -0.13330E-04 1864 0.135E-02 0.270E-02
DAV: 5 -0.195177662921E+04 0.56333E-05 -0.38834E-05 1336 0.674E-03
427 T= 4000. E= -.17857922E+04 F= -.19517766E+04 E0= -.19517417E+04 EK= 0.16598E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195163066167E+04 0.14597E+00 -0.52849E-04 2718 0.633E-01 0.679E-02
DAV: 2 -0.195163085315E+04 -0.19148E-03 -0.28111E-03 1968 0.552E-02 0.876E-02
DAV: 3 -0.195163082199E+04 0.31170E-04 -0.78032E-04 1968 0.253E-02 0.798E-02
DAV: 4 -0.195163075578E+04 0.66204E-04 -0.18450E-04 1824 0.119E-02 0.276E-02
DAV: 5 -0.195163075023E+04 0.55487E-05 -0.19562E-05 1144 0.630E-03
428 T= 3997. E= -.17857922E+04 F= -.19516308E+04 E0= -.19515957E+04 EK= 0.16584E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195147746205E+04 0.15329E+00 -0.62990E-04 2710 0.634E-01 0.730E-02
DAV: 2 -0.195147778831E+04 -0.32625E-03 -0.30889E-03 1936 0.620E-02 0.133E-01
DAV: 3 -0.195147763637E+04 0.15193E-03 -0.57499E-04 1944 0.305E-02 0.779E-02
DAV: 4 -0.195147756905E+04 0.67323E-04 -0.13070E-04 1848 0.144E-02 0.283E-02
DAV: 5 -0.195147756550E+04 0.35531E-05 -0.37015E-05 1368 0.658E-03
429 T= 3993. E= -.17857923E+04 F= -.19514776E+04 E0= -.19514426E+04 EK= 0.16569E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195131562892E+04 0.16194E+00 -0.85554E-04 2806 0.634E-01 0.809E-02
DAV: 2 -0.195131599981E+04 -0.37089E-03 -0.32037E-03 1944 0.658E-02 0.157E-01
DAV: 3 -0.195131579954E+04 0.20027E-03 -0.65177E-04 1918 0.329E-02 0.843E-02
DAV: 4 -0.195131572413E+04 0.75405E-04 -0.17577E-04 1880 0.151E-02 0.269E-02
DAV: 5 -0.195131571972E+04 0.44178E-05 -0.41763E-05 1472 0.733E-03
430 T= 3989. E= -.17857924E+04 F= -.19513157E+04 E0= -.19512806E+04 EK= 0.16552E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195114369125E+04 0.17203E+00 -0.96101E-04 2830 0.635E-01 0.851E-02
DAV: 2 -0.195114424916E+04 -0.55791E-03 -0.42296E-03 1944 0.652E-02 0.202E-01
DAV: 3 -0.195114385330E+04 0.39586E-03 -0.16911E-03 1960 0.312E-02 0.734E-02
DAV: 4 -0.195114379997E+04 0.53324E-04 -0.17306E-04 1824 0.147E-02 0.317E-02
DAV: 5 -0.195114379259E+04 0.73817E-05 -0.35282E-05 1320 0.739E-03
431 T= 3985. E= -.17857924E+04 F= -.19511438E+04 E0= -.19511088E+04 EK= 0.16535E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195096024373E+04 0.18356E+00 -0.59106E-04 2734 0.634E-01 0.771E-02
DAV: 2 -0.195096057830E+04 -0.33457E-03 -0.32324E-03 1968 0.608E-02 0.146E-01
DAV: 3 -0.195096040684E+04 0.17145E-03 -0.99685E-04 1974 0.276E-02 0.830E-02
DAV: 4 -0.195096033559E+04 0.71250E-04 -0.17739E-04 1808 0.134E-02 0.296E-02
DAV: 5 -0.195096033065E+04 0.49453E-05 -0.28931E-05 1262 0.646E-03
432 T= 3981. E= -.17857925E+04 F= -.19509603E+04 E0= -.19509256E+04 EK= 0.16517E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195076375188E+04 0.19658E+00 -0.53066E-04 2726 0.635E-01 0.783E-02
DAV: 2 -0.195076414165E+04 -0.38977E-03 -0.31951E-03 1936 0.641E-02 0.156E-01
DAV: 3 -0.195076391234E+04 0.22932E-03 -0.59725E-04 1944 0.331E-02 0.793E-02
DAV: 4 -0.195076384427E+04 0.68070E-04 -0.16485E-04 1872 0.151E-02 0.310E-02
DAV: 5 -0.195076383884E+04 0.54299E-05 -0.46171E-05 1440 0.709E-03
433 T= 3976. E= -.17857926E+04 F= -.19507638E+04 E0= -.19507292E+04 EK= 0.16497E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195055270522E+04 0.21114E+00 -0.97549E-04 2814 0.634E-01 0.824E-02
DAV: 2 -0.195055304638E+04 -0.34116E-03 -0.33525E-03 1968 0.638E-02 0.143E-01
DAV: 3 -0.195055290779E+04 0.13858E-03 -0.65753E-04 1984 0.314E-02 0.926E-02
DAV: 4 -0.195055281616E+04 0.91630E-04 -0.18848E-04 1856 0.153E-02 0.277E-02
DAV: 5 -0.195055281139E+04 0.47759E-05 -0.49432E-05 1656 0.855E-03
434 T= 3971. E= -.17857927E+04 F= -.19505528E+04 E0= -.19505180E+04 EK= 0.16476E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195032572652E+04 0.22709E+00 -0.11250E-03 2782 0.635E-01 0.943E-02
DAV: 2 -0.195032689739E+04 -0.11709E-02 -0.62323E-03 1976 0.710E-02 0.305E-01
DAV: 3 -0.195032583971E+04 0.10577E-02 -0.32934E-03 1982 0.398E-02 0.673E-02
DAV: 4 -0.195032581196E+04 0.27755E-04 -0.18465E-04 1848 0.156E-02 0.362E-02
DAV: 5 -0.195032580295E+04 0.90102E-05 -0.34107E-05 1472 0.776E-03
435 T= 3965. E= -.17857928E+04 F= -.19503258E+04 E0= -.19502912E+04 EK= 0.16453E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.195008142616E+04 0.24439E+00 -0.13367E-03 2838 0.634E-01 0.959E-02
DAV: 2 -0.195008219949E+04 -0.77333E-03 -0.57416E-03 1976 0.730E-02 0.239E-01
DAV: 3 -0.195008157344E+04 0.62605E-03 -0.25274E-03 1974 0.391E-02 0.808E-02
DAV: 4 -0.195008152799E+04 0.45454E-04 -0.20276E-04 1880 0.171E-02 0.485E-02
DAV: 5 -0.195008150526E+04 0.22729E-04 -0.50845E-05 1768 0.101E-02 0.229E-02
DAV: 6 -0.195008150003E+04 0.52254E-05 -0.36200E-05 1296 0.732E-03
436 T= 3959. E= -.17857929E+04 F= -.19500815E+04 E0= -.19500468E+04 EK= 0.16429E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194981862793E+04 0.26288E+00 -0.11113E-03 2852 0.633E-01 0.699E-02
DAV: 2 -0.194981903223E+04 -0.40430E-03 -0.36981E-03 1952 0.586E-02 0.140E-01
DAV: 3 -0.194981885780E+04 0.17444E-03 -0.98735E-04 1960 0.266E-02 0.803E-02
DAV: 4 -0.194981878806E+04 0.69738E-04 -0.16636E-04 1824 0.130E-02 0.315E-02
DAV: 5 -0.194981878466E+04 0.33981E-05 -0.27449E-05 1240 0.621E-03
437 T= 3953. E= -.17857930E+04 F= -.19498188E+04 E0= -.19497846E+04 EK= 0.16403E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194953683417E+04 0.28195E+00 -0.66126E-04 2828 0.634E-01 0.836E-02
DAV: 2 -0.194953725299E+04 -0.41882E-03 -0.37515E-03 1944 0.674E-02 0.160E-01
DAV: 3 -0.194953702393E+04 0.22906E-03 -0.71499E-04 1942 0.350E-02 0.962E-02
DAV: 4 -0.194953693383E+04 0.90100E-04 -0.21659E-04 1840 0.163E-02 0.393E-02
DAV: 5 -0.194953692212E+04 0.11703E-04 -0.75493E-05 1694 0.897E-03 0.228E-02
DAV: 6 -0.194953691158E+04 0.10539E-04 -0.48694E-05 1624 0.932E-03 0.208E-02
DAV: 7 -0.194953690288E+04 0.87071E-05 -0.38596E-05 1312 0.926E-03
438 T= 3946. E= -.17857930E+04 F= -.19495369E+04 E0= -.19495026E+04 EK= 0.16374E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194923530080E+04 0.30161E+00 -0.12091E-03 2838 0.632E-01 0.584E-02
DAV: 2 -0.194923570775E+04 -0.40695E-03 -0.29942E-03 1968 0.517E-02 0.141E-01
DAV: 3 -0.194923550438E+04 0.20337E-03 -0.40966E-04 1968 0.254E-02 0.591E-02
DAV: 4 -0.194923547648E+04 0.27891E-04 -0.12750E-04 1792 0.116E-02 0.303E-02
DAV: 5 -0.194923546986E+04 0.66290E-05 -0.46789E-05 1224 0.704E-03
439 T= 3939. E= -.17857930E+04 F= -.19492355E+04 E0= -.19492016E+04 EK= 0.16344E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194891457992E+04 0.32090E+00 -0.59805E-04 2856 0.632E-01 0.648E-02
DAV: 2 -0.194891526764E+04 -0.68772E-03 -0.35509E-03 1952 0.559E-02 0.216E-01
DAV: 3 -0.194891472656E+04 0.54109E-03 -0.10664E-03 1976 0.279E-02 0.608E-02
DAV: 4 -0.194891469820E+04 0.28356E-04 -0.12010E-04 1792 0.117E-02 0.361E-02
DAV: 5 -0.194891469274E+04 0.54623E-05 -0.20601E-05 1120 0.561E-03
440 T= 3931. E= -.17857930E+04 F= -.19489147E+04 E0= -.19488810E+04 EK= 0.16312E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194857520895E+04 0.33949E+00 -0.65679E-04 2870 0.632E-01 0.110E-01
DAV: 2 -0.194857626880E+04 -0.10598E-02 -0.58960E-03 1928 0.866E-02 0.282E-01
DAV: 3 -0.194857550143E+04 0.76737E-03 -0.16731E-03 1926 0.439E-02 0.124E-01
DAV: 4 -0.194857536612E+04 0.13531E-03 -0.45918E-04 1864 0.205E-02 0.504E-02
DAV: 5 -0.194857535401E+04 0.12109E-04 -0.73746E-05 1768 0.946E-03 0.348E-02
DAV: 6 -0.194857534335E+04 0.10657E-04 -0.20555E-05 1096 0.694E-03 0.282E-02
DAV: 7 -0.194857533279E+04 0.10555E-04 -0.53136E-05 1680 0.108E-02 0.256E-02
DAV: 8 -0.194857532009E+04 0.12705E-04 -0.41317E-05 1536 0.109E-02 0.103E-02
DAV: 9 -0.194857531903E+04 0.10577E-05 -0.23094E-05 1192 0.804E-03
441 T= 3923. E= -.17857929E+04 F= -.19485753E+04 E0= -.19485418E+04 EK= 0.16278E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194821894959E+04 0.35637E+00 -0.94483E-04 2870 0.629E-01 0.792E-02
DAV: 2 -0.194821965296E+04 -0.70338E-03 -0.32172E-03 1976 0.634E-02 0.225E-01
DAV: 3 -0.194821910479E+04 0.54817E-03 -0.66925E-04 1960 0.355E-02 0.793E-02
DAV: 4 -0.194821906274E+04 0.42052E-04 -0.22199E-04 1840 0.147E-02 0.379E-02
DAV: 5 -0.194821905193E+04 0.10806E-04 -0.49542E-05 1512 0.819E-03 0.261E-02
DAV: 6 -0.194821903601E+04 0.15925E-04 -0.68335E-05 1768 0.140E-02 0.239E-02
DAV: 7 -0.194821903016E+04 0.58512E-05 -0.60437E-05 1632 0.113E-02
442 T= 3915. E= -.17857928E+04 F= -.19482190E+04 E0= -.19481855E+04 EK= 0.16243E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194784816784E+04 0.37087E+00 -0.24096E-04 2014 0.626E-01 0.527E-02
DAV: 2 -0.194784827876E+04 -0.11092E-03 -0.10819E-03 2008 0.387E-02 0.104E-01
DAV: 3 -0.194784817358E+04 0.10518E-03 -0.25418E-04 1958 0.201E-02 0.401E-02
DAV: 4 -0.194784817505E+04 -0.14657E-05 -0.16123E-04 1840 0.117E-02 0.407E-02
DAV: 5 -0.194784815434E+04 0.20706E-04 -0.10777E-04 1440 0.851E-03 0.151E-02
DAV: 6 -0.194784814904E+04 0.52956E-05 -0.16676E-05 1096 0.547E-03
443 T= 3906. E= -.17857926E+04 F= -.19478481E+04 E0= -.19478150E+04 EK= 0.16206E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194746587909E+04 0.38228E+00 -0.14718E-04 1628 0.624E-01 0.519E-02
DAV: 2 -0.194746604126E+04 -0.16218E-03 -0.10925E-03 1984 0.348E-02 0.111E-01
DAV: 3 -0.194746589106E+04 0.15020E-03 -0.44239E-04 1976 0.189E-02 0.284E-02
DAV: 4 -0.194746589368E+04 -0.26249E-05 -0.92199E-05 1424 0.956E-03
444 T= 3896. E= -.17857923E+04 F= -.19474659E+04 E0= -.19474328E+04 EK= 0.16167E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194707620601E+04 0.38969E+00 -0.24622E-04 1198 0.623E-01 0.475E-02
DAV: 2 -0.194707643835E+04 -0.23234E-03 -0.13385E-03 2040 0.317E-02 0.142E-01
DAV: 3 -0.194707620059E+04 0.23776E-03 -0.64841E-04 1968 0.179E-02 0.321E-02
DAV: 4 -0.194707619654E+04 0.40435E-05 -0.85959E-05 1432 0.936E-03
445 T= 3887. E= -.17857921E+04 F= -.19470762E+04 E0= -.19470434E+04 EK= 0.16128E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194668348567E+04 0.39271E+00 -0.17729E-04 1592 0.621E-01 0.503E-02
DAV: 2 -0.194668371947E+04 -0.23380E-03 -0.13507E-03 1960 0.403E-02 0.126E-01
DAV: 3 -0.194668352549E+04 0.19398E-03 -0.35938E-04 1984 0.204E-02 0.374E-02
DAV: 4 -0.194668350943E+04 0.16059E-04 -0.54444E-05 1480 0.935E-03 0.257E-02
DAV: 5 -0.194668350422E+04 0.52103E-05 -0.44056E-05 1080 0.539E-03
446 T= 3878. E= -.17857917E+04 F= -.19466835E+04 E0= -.19466510E+04 EK= 0.16089E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194629257299E+04 0.39094E+00 -0.33528E-04 2238 0.620E-01 0.847E-02
DAV: 2 -0.194629376171E+04 -0.11887E-02 -0.46828E-03 1968 0.640E-02 0.326E-01
DAV: 3 -0.194629262170E+04 0.11400E-02 -0.19824E-03 1968 0.407E-02 0.649E-02
DAV: 4 -0.194629262193E+04 -0.22334E-06 -0.28371E-04 1944 0.147E-02 0.295E-02
DAV: 5 -0.194629261667E+04 0.52617E-05 -0.47089E-05 1520 0.701E-03
447 T= 3868. E= -.17857914E+04 F= -.19462926E+04 E0= -.19462605E+04 EK= 0.16050E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194590837867E+04 0.38424E+00 -0.41326E-04 2192 0.619E-01 0.955E-02
DAV: 2 -0.194590946951E+04 -0.10908E-02 -0.56383E-03 1968 0.719E-02 0.302E-01
DAV: 3 -0.194590844071E+04 0.10288E-02 -0.28851E-03 1936 0.430E-02 0.802E-02
DAV: 4 -0.194590841085E+04 0.29851E-04 -0.38310E-04 1976 0.184E-02 0.394E-02
DAV: 5 -0.194590839309E+04 0.17765E-04 -0.10032E-04 1720 0.104E-02 0.217E-02
DAV: 6 -0.194590837801E+04 0.15075E-04 -0.36451E-05 1632 0.137E-02 0.198E-02
DAV: 7 -0.194590837277E+04 0.52426E-05 -0.63826E-05 1776 0.118E-02
448 T= 3859. E= -.17857912E+04 F= -.19459084E+04 E0= -.19458767E+04 EK= 0.16012E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194553503525E+04 0.37334E+00 -0.29656E-04 2342 0.616E-01 0.476E-02
DAV: 2 -0.194553537900E+04 -0.34374E-03 -0.21576E-03 1992 0.454E-02 0.149E-01
DAV: 3 -0.194553513748E+04 0.24151E-03 -0.54970E-04 1944 0.229E-02 0.477E-02
DAV: 4 -0.194553512585E+04 0.11628E-04 -0.77734E-05 1592 0.900E-03 0.263E-02
DAV: 5 -0.194553512244E+04 0.34111E-05 -0.20983E-05 1016 0.491E-03
449 T= 3850. E= -.17857909E+04 F= -.19455351E+04 E0= -.19455034E+04 EK= 0.15974E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194517645936E+04 0.35867E+00 -0.22814E-04 2332 0.615E-01 0.504E-02
DAV: 2 -0.194517691821E+04 -0.45885E-03 -0.27557E-03 1944 0.490E-02 0.173E-01
DAV: 3 -0.194517655481E+04 0.36340E-03 -0.87121E-04 1968 0.237E-02 0.495E-02
DAV: 4 -0.194517654181E+04 0.12999E-04 -0.69068E-05 1664 0.870E-03 0.333E-02
DAV: 5 -0.194517653799E+04 0.38189E-05 -0.14186E-05 976 0.415E-03
450 T= 3841. E= -.17857908E+04 F= -.19451765E+04 E0= -.19451451E+04 EK= 0.15939E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194483512524E+04 0.34142E+00 -0.42118E-04 2208 0.616E-01 0.116E-01
DAV: 2 -0.194483635342E+04 -0.12282E-02 -0.92969E-03 1944 0.930E-02 0.312E-01
DAV: 3 -0.194483528889E+04 0.10645E-02 -0.37535E-03 1944 0.515E-02 0.110E-01
DAV: 4 -0.194483521610E+04 0.72787E-04 -0.58292E-04 1912 0.231E-02 0.525E-02
DAV: 5 -0.194483518760E+04 0.28503E-04 -0.15692E-04 1816 0.122E-02 0.249E-02
DAV: 6 -0.194483517646E+04 0.11139E-04 -0.37770E-05 1568 0.110E-02 0.186E-02
DAV: 7 -0.194483517266E+04 0.38003E-05 -0.35230E-05 1328 0.886E-03
451 T= 3833. E= -.17857907E+04 F= -.19448352E+04 E0= -.19448037E+04 EK= 0.15904E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194451232060E+04 0.32286E+00 -0.48213E-04 2742 0.614E-01 0.101E-01
DAV: 2 -0.194451350739E+04 -0.11868E-02 -0.63236E-03 1968 0.836E-02 0.302E-01
DAV: 3 -0.194451245760E+04 0.10498E-02 -0.29056E-03 1950 0.492E-02 0.920E-02
DAV: 4 -0.194451241739E+04 0.40218E-04 -0.43432E-04 1896 0.195E-02 0.419E-02
DAV: 5 -0.194451240430E+04 0.13088E-04 -0.91599E-05 1728 0.961E-03 0.240E-02
DAV: 6 -0.194451240157E+04 0.27330E-05 -0.16122E-05 976 0.476E-03
452 T= 3825. E= -.17857907E+04 F= -.19445124E+04 E0= -.19444815E+04 EK= 0.15872E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194420817796E+04 0.30423E+00 -0.28885E-04 2238 0.613E-01 0.690E-02
DAV: 2 -0.194420859612E+04 -0.41816E-03 -0.30625E-03 1912 0.625E-02 0.163E-01
DAV: 3 -0.194420829735E+04 0.29877E-03 -0.65765E-04 1950 0.309E-02 0.637E-02
DAV: 4 -0.194420826540E+04 0.31950E-04 -0.16288E-04 1808 0.140E-02 0.354E-02
DAV: 5 -0.194420825583E+04 0.95722E-05 -0.54752E-05 1278 0.668E-03
453 T= 3818. E= -.17857908E+04 F= -.19442083E+04 E0= -.19441775E+04 EK= 0.15842E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194392147316E+04 0.28679E+00 -0.27962E-04 1902 0.613E-01 0.101E-01
DAV: 2 -0.194392219438E+04 -0.72122E-03 -0.53504E-03 1960 0.750E-02 0.236E-01
DAV: 3 -0.194392158500E+04 0.60938E-03 -0.23979E-03 1950 0.386E-02 0.914E-02
DAV: 4 -0.194392152573E+04 0.59278E-04 -0.44967E-04 1872 0.195E-02 0.466E-02
DAV: 5 -0.194392150216E+04 0.23568E-04 -0.12533E-04 1800 0.106E-02 0.195E-02
DAV: 6 -0.194392149978E+04 0.23779E-05 -0.18788E-05 1032 0.582E-03
454 T= 3811. E= -.17857909E+04 F= -.19439215E+04 E0= -.19438908E+04 EK= 0.15813E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194364989895E+04 0.27160E+00 -0.37942E-04 2382 0.613E-01 0.954E-02
DAV: 2 -0.194365087963E+04 -0.98068E-03 -0.61791E-03 1952 0.755E-02 0.278E-01
DAV: 3 -0.194365003669E+04 0.84294E-03 -0.30398E-03 1960 0.391E-02 0.804E-02
DAV: 4 -0.194364999158E+04 0.45119E-04 -0.33872E-04 1864 0.178E-02 0.414E-02
DAV: 5 -0.194364997730E+04 0.14280E-04 -0.82798E-05 1728 0.893E-03 0.223E-02
DAV: 6 -0.194364997485E+04 0.24413E-05 -0.14133E-05 952 0.480E-03
455 T= 3804. E= -.17857911E+04 F= -.19436500E+04 E0= -.19436196E+04 EK= 0.15786E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194339069952E+04 0.25928E+00 -0.48570E-04 2854 0.613E-01 0.633E-02
DAV: 2 -0.194339109295E+04 -0.39343E-03 -0.37930E-03 1912 0.634E-02 0.141E-01
DAV: 3 -0.194339088782E+04 0.20513E-03 -0.96709E-04 1944 0.258E-02 0.688E-02
DAV: 4 -0.194339083901E+04 0.48801E-04 -0.15542E-04 1800 0.128E-02 0.348E-02
DAV: 5 -0.194339083279E+04 0.62289E-05 -0.31595E-05 1128 0.591E-03
456 T= 3798. E= -.17857913E+04 F= -.19433908E+04 E0= -.19433606E+04 EK= 0.15760E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194314064185E+04 0.25020E+00 -0.63599E-04 2894 0.614E-01 0.975E-02
DAV: 2 -0.194314142165E+04 -0.77980E-03 -0.66575E-03 1920 0.804E-02 0.227E-01
DAV: 3 -0.194314086076E+04 0.56089E-03 -0.19652E-03 1950 0.426E-02 0.967E-02
DAV: 4 -0.194314078244E+04 0.78319E-04 -0.35808E-04 1952 0.203E-02 0.462E-02
DAV: 5 -0.194314076443E+04 0.18005E-04 -0.11223E-04 1768 0.105E-02 0.240E-02
DAV: 6 -0.194314076095E+04 0.34795E-05 -0.20718E-05 1008 0.548E-03
457 T= 3792. E= -.17857915E+04 F= -.19431408E+04 E0= -.19431105E+04 EK= 0.15735E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194289639519E+04 0.24437E+00 -0.68539E-04 2854 0.614E-01 0.103E-01
DAV: 2 -0.194289737110E+04 -0.97591E-03 -0.68262E-03 1920 0.857E-02 0.255E-01
DAV: 3 -0.194289662798E+04 0.74313E-03 -0.25708E-03 1944 0.462E-02 0.944E-02
DAV: 4 -0.194289655577E+04 0.72212E-04 -0.35015E-04 1912 0.210E-02 0.478E-02
DAV: 5 -0.194289653933E+04 0.16438E-04 -0.10931E-04 1752 0.102E-02 0.256E-02
DAV: 6 -0.194289653623E+04 0.30963E-05 -0.17505E-05 984 0.456E-03
458 T= 3786. E= -.17857916E+04 F= -.19428965E+04 E0= -.19428667E+04 EK= 0.15710E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194265499400E+04 0.24155E+00 -0.45886E-04 2854 0.614E-01 0.848E-02
DAV: 2 -0.194265541094E+04 -0.41694E-03 -0.46292E-03 1912 0.754E-02 0.143E-01
DAV: 3 -0.194265523357E+04 0.17736E-03 -0.77979E-04 1952 0.330E-02 0.918E-02
DAV: 4 -0.194265513240E+04 0.10117E-03 -0.20456E-04 1856 0.178E-02 0.373E-02
DAV: 5 -0.194265512793E+04 0.44661E-05 -0.66268E-05 1688 0.808E-03
459 T= 3781. E= -.17857918E+04 F= -.19426551E+04 E0= -.19426255E+04 EK= 0.15686E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194241376243E+04 0.24137E+00 -0.40566E-04 2796 0.613E-01 0.100E-01
DAV: 2 -0.194241422185E+04 -0.45942E-03 -0.54900E-03 1912 0.773E-02 0.174E-01
DAV: 3 -0.194241400269E+04 0.21915E-03 -0.22692E-03 1936 0.352E-02 0.118E-01
DAV: 4 -0.194241385920E+04 0.14349E-03 -0.42965E-04 1872 0.198E-02 0.376E-02
DAV: 5 -0.194241384994E+04 0.92608E-05 -0.87546E-05 1760 0.968E-03
460 T= 3775. E= -.17857919E+04 F= -.19424138E+04 E0= -.19423843E+04 EK= 0.15662E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194217061922E+04 0.24324E+00 -0.27834E-04 2288 0.613E-01 0.114E-01
DAV: 2 -0.194217120920E+04 -0.58998E-03 -0.57430E-03 1920 0.844E-02 0.224E-01
DAV: 3 -0.194217077537E+04 0.43383E-03 -0.22600E-03 1952 0.446E-02 0.118E-01
DAV: 4 -0.194217064443E+04 0.13094E-03 -0.50206E-04 1904 0.210E-02 0.427E-02
DAV: 5 -0.194217062888E+04 0.15555E-04 -0.12446E-04 1776 0.107E-02 0.180E-02
DAV: 6 -0.194217062806E+04 0.81849E-06 -0.16955E-05 968 0.475E-03
461 T= 3769. E= -.17857919E+04 F= -.19421706E+04 E0= -.19421410E+04 EK= 0.15638E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194192396899E+04 0.24666E+00 -0.18544E-04 2054 0.613E-01 0.924E-02
DAV: 2 -0.194192440978E+04 -0.44079E-03 -0.32675E-03 1920 0.698E-02 0.187E-01
DAV: 3 -0.194192404783E+04 0.36195E-03 -0.11710E-03 1966 0.373E-02 0.807E-02
DAV: 4 -0.194192397382E+04 0.74006E-04 -0.20216E-04 1888 0.168E-02 0.338E-02
DAV: 5 -0.194192396754E+04 0.62750E-05 -0.65863E-05 1640 0.769E-03
462 T= 3763. E= -.17857920E+04 F= -.19419240E+04 E0= -.19418945E+04 EK= 0.15613E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194167280048E+04 0.25117E+00 -0.27376E-04 2126 0.612E-01 0.728E-02
DAV: 2 -0.194167296158E+04 -0.16110E-03 -0.23396E-03 1920 0.533E-02 0.103E-01
DAV: 3 -0.194167292018E+04 0.41400E-04 -0.64539E-04 2008 0.258E-02 0.897E-02
DAV: 4 -0.194167282813E+04 0.92053E-04 -0.22908E-04 1816 0.146E-02 0.234E-02
DAV: 5 -0.194167282470E+04 0.34323E-05 -0.37921E-05 1472 0.749E-03
463 T= 3757. E= -.17857920E+04 F= -.19416728E+04 E0= -.19416437E+04 EK= 0.15588E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194141671084E+04 0.25612E+00 -0.34528E-04 2214 0.612E-01 0.879E-02
DAV: 2 -0.194141768626E+04 -0.97543E-03 -0.41255E-03 1960 0.605E-02 0.275E-01
DAV: 3 -0.194141674310E+04 0.94316E-03 -0.22696E-03 1966 0.351E-02 0.536E-02
DAV: 4 -0.194141673436E+04 0.87403E-05 -0.18979E-04 1800 0.133E-02 0.358E-02
DAV: 5 -0.194141672397E+04 0.10393E-04 -0.37558E-05 1240 0.704E-03 0.161E-02
DAV: 6 -0.194141672215E+04 0.18127E-05 -0.11821E-05 952 0.445E-03
464 T= 3751. E= -.17857920E+04 F= -.19414167E+04 E0= -.19413876E+04 EK= 0.15562E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194115557943E+04 0.26114E+00 -0.29375E-04 2118 0.612E-01 0.741E-02
DAV: 2 -0.194115633651E+04 -0.75708E-03 -0.35840E-03 1952 0.551E-02 0.249E-01
DAV: 3 -0.194115562112E+04 0.71539E-03 -0.19239E-03 1966 0.304E-02 0.482E-02
DAV: 4 -0.194115560512E+04 0.16004E-04 -0.14074E-04 1760 0.123E-02 0.284E-02
DAV: 5 -0.194115559971E+04 0.54042E-05 -0.32277E-05 1168 0.625E-03
465 T= 3744. E= -.17857919E+04 F= -.19411556E+04 E0= -.19411267E+04 EK= 0.15536E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194088955704E+04 0.26605E+00 -0.34576E-04 2278 0.610E-01 0.677E-02
DAV: 2 -0.194088982706E+04 -0.27002E-03 -0.30590E-03 1920 0.549E-02 0.131E-01
DAV: 3 -0.194088967542E+04 0.15163E-03 -0.10378E-03 1936 0.259E-02 0.790E-02
DAV: 4 -0.194088961099E+04 0.64435E-04 -0.25441E-04 1784 0.142E-02 0.288E-02
DAV: 5 -0.194088960267E+04 0.83188E-05 -0.54902E-05 1456 0.780E-03
466 T= 3738. E= -.17857919E+04 F= -.19408896E+04 E0= -.19408609E+04 EK= 0.15510E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194061908951E+04 0.27052E+00 -0.37824E-04 2462 0.611E-01 0.959E-02
DAV: 2 -0.194062008221E+04 -0.99270E-03 -0.45445E-03 1960 0.752E-02 0.265E-01
DAV: 3 -0.194061917586E+04 0.90635E-03 -0.15485E-03 1984 0.443E-02 0.709E-02
DAV: 4 -0.194061914701E+04 0.28852E-04 -0.31944E-04 1864 0.178E-02 0.404E-02
DAV: 5 -0.194061913668E+04 0.10326E-04 -0.82192E-05 1696 0.846E-03 0.217E-02
DAV: 6 -0.194061913401E+04 0.26759E-05 -0.12410E-05 960 0.394E-03
467 T= 3731. E= -.17857918E+04 F= -.19406191E+04 E0= -.19405904E+04 EK= 0.15483E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194034474364E+04 0.27439E+00 -0.43863E-04 2798 0.610E-01 0.925E-02
DAV: 2 -0.194034558677E+04 -0.84313E-03 -0.43775E-03 1936 0.719E-02 0.249E-01
DAV: 3 -0.194034484738E+04 0.73939E-03 -0.15526E-03 1990 0.391E-02 0.679E-02
DAV: 4 -0.194034479866E+04 0.48723E-04 -0.16549E-04 1824 0.167E-02 0.302E-02
DAV: 5 -0.194034479452E+04 0.41378E-05 -0.46511E-05 1640 0.753E-03
468 T= 3725. E= -.17857917E+04 F= -.19403448E+04 E0= -.19403162E+04 EK= 0.15455E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.194006715200E+04 0.27765E+00 -0.38108E-04 2526 0.609E-01 0.923E-02
DAV: 2 -0.194006758891E+04 -0.43691E-03 -0.42432E-03 1912 0.687E-02 0.191E-01
DAV: 3 -0.194006727083E+04 0.31808E-03 -0.16057E-03 1920 0.350E-02 0.927E-02
DAV: 4 -0.194006717424E+04 0.96589E-04 -0.28837E-04 1864 0.185E-02 0.289E-02
DAV: 5 -0.194006716715E+04 0.70926E-05 -0.62516E-05 1768 0.942E-03
469 T= 3718. E= -.17857917E+04 F= -.19400672E+04 E0= -.19400387E+04 EK= 0.15428E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193978684766E+04 0.28033E+00 -0.53376E-04 2622 0.607E-01 0.112E-01
DAV: 2 -0.193978847184E+04 -0.16242E-02 -0.69708E-03 1960 0.743E-02 0.365E-01
DAV: 3 -0.193978685495E+04 0.16169E-02 -0.41721E-03 1960 0.439E-02 0.639E-02
DAV: 4 -0.193978685242E+04 0.25360E-05 -0.30915E-04 1824 0.167E-02 0.469E-02
DAV: 5 -0.193978683177E+04 0.20645E-04 -0.68309E-05 1640 0.921E-03 0.183E-02
DAV: 6 -0.193978682938E+04 0.23891E-05 -0.14113E-05 1000 0.480E-03
470 T= 3711. E= -.17857916E+04 F= -.19397868E+04 E0= -.19397584E+04 EK= 0.15400E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193950443661E+04 0.28240E+00 -0.54444E-04 2670 0.607E-01 0.881E-02
DAV: 2 -0.193950557955E+04 -0.11429E-02 -0.53264E-03 1968 0.629E-02 0.310E-01
DAV: 3 -0.193950447775E+04 0.11018E-02 -0.31306E-03 1982 0.366E-02 0.518E-02
DAV: 4 -0.193950446488E+04 0.12876E-04 -0.15903E-04 1776 0.138E-02 0.315E-02
DAV: 5 -0.193950445791E+04 0.69681E-05 -0.35541E-05 1336 0.702E-03
471 T= 3705. E= -.17857915E+04 F= -.19395045E+04 E0= -.19394761E+04 EK= 0.15371E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193922047038E+04 0.28399E+00 -0.58887E-04 2750 0.605E-01 0.689E-02
DAV: 2 -0.193922070123E+04 -0.23085E-03 -0.31081E-03 1928 0.552E-02 0.116E-01
DAV: 3 -0.193922060574E+04 0.95489E-04 -0.11264E-03 1936 0.243E-02 0.839E-02
DAV: 4 -0.193922052328E+04 0.82462E-04 -0.23095E-04 1808 0.145E-02 0.283E-02
DAV: 5 -0.193922051341E+04 0.98663E-05 -0.41276E-05 1536 0.869E-03
472 T= 3698. E= -.17857915E+04 F= -.19392205E+04 E0= -.19391924E+04 EK= 0.15343E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193893534859E+04 0.28517E+00 -0.53796E-04 2728 0.604E-01 0.108E-01
DAV: 2 -0.193893710661E+04 -0.17580E-02 -0.55526E-03 1976 0.816E-02 0.358E-01
DAV: 3 -0.193893538408E+04 0.17225E-02 -0.23374E-03 2032 0.537E-02 0.708E-02
DAV: 4 -0.193893538488E+04 -0.79274E-06 -0.31902E-04 1856 0.176E-02 0.450E-02
DAV: 5 -0.193893537208E+04 0.12798E-04 -0.72877E-05 1648 0.811E-03 0.235E-02
DAV: 6 -0.193893536956E+04 0.25185E-05 -0.92512E-06 976 0.370E-03
473 T= 3691. E= -.17857914E+04 F= -.19389354E+04 E0= -.19389073E+04 EK= 0.15314E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193864944738E+04 0.28592E+00 -0.58432E-04 2854 0.604E-01 0.107E-01
DAV: 2 -0.193865096840E+04 -0.15210E-02 -0.56263E-03 1952 0.834E-02 0.347E-01
DAV: 3 -0.193864950165E+04 0.14668E-02 -0.24857E-03 1982 0.514E-02 0.705E-02
DAV: 4 -0.193864948726E+04 0.14393E-04 -0.28528E-04 1880 0.189E-02 0.367E-02
DAV: 5 -0.193864948080E+04 0.64576E-05 -0.69702E-05 1712 0.828E-03
474 T= 3684. E= -.17857914E+04 F= -.19386495E+04 E0= -.19386215E+04 EK= 0.15286E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193836303665E+04 0.28645E+00 -0.43558E-04 2694 0.603E-01 0.110E-01
DAV: 2 -0.193836365665E+04 -0.62001E-03 -0.53370E-03 1920 0.822E-02 0.242E-01
DAV: 3 -0.193836314235E+04 0.51430E-03 -0.21034E-03 1944 0.417E-02 0.107E-01
DAV: 4 -0.193836301607E+04 0.12628E-03 -0.58337E-04 1944 0.225E-02 0.362E-02
DAV: 5 -0.193836300103E+04 0.15043E-04 -0.12424E-04 1856 0.119E-02 0.219E-02
DAV: 6 -0.193836297606E+04 0.24972E-04 -0.68523E-05 1752 0.129E-02 0.237E-02
DAV: 7 -0.193836295367E+04 0.22384E-04 -0.67768E-05 1808 0.157E-02 0.240E-02
DAV: 8 -0.193836294746E+04 0.62166E-05 -0.48339E-05 1536 0.949E-03
475 T= 3677. E= -.17857913E+04 F= -.19383629E+04 E0= -.19383348E+04 EK= 0.15257E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193807609657E+04 0.28686E+00 -0.25973E-04 1918 0.603E-01 0.655E-02
DAV: 2 -0.193807656804E+04 -0.47147E-03 -0.25500E-03 2024 0.415E-02 0.212E-01
DAV: 3 -0.193807607546E+04 0.49258E-03 -0.14720E-03 1992 0.241E-02 0.428E-02
DAV: 4 -0.193807604990E+04 0.25562E-04 -0.12009E-04 1752 0.133E-02 0.287E-02
DAV: 5 -0.193807603142E+04 0.18479E-04 -0.69291E-05 1648 0.117E-02 0.305E-02
DAV: 6 -0.193807599377E+04 0.37648E-04 -0.59367E-05 1624 0.177E-02 0.255E-02
DAV: 7 -0.193807596896E+04 0.24807E-04 -0.88151E-05 1784 0.160E-02 0.187E-02
DAV: 8 -0.193807596544E+04 0.35209E-05 -0.44429E-05 1400 0.746E-03
476 T= 3670. E= -.17857913E+04 F= -.19380760E+04 E0= -.19380481E+04 EK= 0.15228E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193778848811E+04 0.28748E+00 -0.26023E-04 2142 0.599E-01 0.624E-02
DAV: 2 -0.193778855948E+04 -0.71373E-04 -0.15341E-03 1944 0.417E-02 0.675E-02
DAV: 3 -0.193778858058E+04 -0.21099E-04 -0.58242E-04 1926 0.184E-02 0.758E-02
DAV: 4 -0.193778852355E+04 0.57028E-04 -0.21789E-04 1416 0.104E-02 0.213E-02
DAV: 5 -0.193778852353E+04 0.25917E-07 -0.50752E-05 1128 0.672E-03
477 T= 3663. E= -.17857913E+04 F= -.19377885E+04 E0= -.19377606E+04 EK= 0.15200E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193750050652E+04 0.28802E+00 -0.34240E-04 2118 0.596E-01 0.710E-02
DAV: 2 -0.193750104941E+04 -0.54289E-03 -0.28129E-03 1968 0.544E-02 0.199E-01
DAV: 3 -0.193750055742E+04 0.49199E-03 -0.10202E-03 1976 0.321E-02 0.502E-02
DAV: 4 -0.193750054065E+04 0.16774E-04 -0.16157E-04 1784 0.137E-02 0.233E-02
DAV: 5 -0.193750053619E+04 0.44578E-05 -0.51423E-05 1248 0.700E-03
478 T= 3656. E= -.17857913E+04 F= -.19375005E+04 E0= -.19374728E+04 EK= 0.15171E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193721178232E+04 0.28876E+00 -0.38808E-04 2270 0.595E-01 0.720E-02
DAV: 2 -0.193721241049E+04 -0.62817E-03 -0.30994E-03 1984 0.566E-02 0.218E-01
DAV: 3 -0.193721184527E+04 0.56522E-03 -0.11241E-03 1968 0.349E-02 0.543E-02
DAV: 4 -0.193721183199E+04 0.13280E-04 -0.24101E-04 1784 0.139E-02 0.291E-02
DAV: 5 -0.193721182484E+04 0.71494E-05 -0.53616E-05 1312 0.706E-03
479 T= 3649. E= -.17857913E+04 F= -.19372118E+04 E0= -.19371843E+04 EK= 0.15142E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193692205473E+04 0.28978E+00 -0.48917E-04 2470 0.594E-01 0.755E-02
DAV: 2 -0.193692253403E+04 -0.47930E-03 -0.36028E-03 1920 0.561E-02 0.193E-01
DAV: 3 -0.193692215808E+04 0.37594E-03 -0.18570E-03 1952 0.281E-02 0.649E-02
DAV: 4 -0.193692211844E+04 0.39650E-04 -0.23468E-04 1776 0.144E-02 0.248E-02
DAV: 5 -0.193692211431E+04 0.41276E-05 -0.41896E-05 1352 0.719E-03
480 T= 3642. E= -.17857912E+04 F= -.19369221E+04 E0= -.19368947E+04 EK= 0.15113E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193663106463E+04 0.29105E+00 -0.29018E-04 2190 0.593E-01 0.714E-02
DAV: 2 -0.193663126666E+04 -0.20203E-03 -0.28267E-03 1928 0.567E-02 0.107E-01
DAV: 3 -0.193663121773E+04 0.48933E-04 -0.94833E-04 1926 0.265E-02 0.891E-02
DAV: 4 -0.193663113193E+04 0.85803E-04 -0.29268E-04 1760 0.141E-02 0.223E-02
DAV: 5 -0.193663113010E+04 0.18267E-05 -0.39849E-05 1288 0.684E-03
481 T= 3635. E= -.17857912E+04 F= -.19366311E+04 E0= -.19366037E+04 EK= 0.15084E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193633841635E+04 0.29272E+00 -0.53384E-04 2694 0.591E-01 0.619E-02
DAV: 2 -0.193633861708E+04 -0.20074E-03 -0.27757E-03 1920 0.552E-02 0.793E-02
DAV: 3 -0.193633858583E+04 0.31249E-04 -0.57548E-04 1968 0.237E-02 0.698E-02
DAV: 4 -0.193633852565E+04 0.60184E-04 -0.12342E-04 1840 0.128E-02 0.251E-02
DAV: 5 -0.193633852238E+04 0.32746E-05 -0.23363E-05 1096 0.602E-03
482 T= 3628. E= -.17857913E+04 F= -.19363385E+04 E0= -.19363111E+04 EK= 0.15055E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193604378609E+04 0.29474E+00 -0.52810E-04 2702 0.590E-01 0.722E-02
DAV: 2 -0.193604424348E+04 -0.45739E-03 -0.44729E-03 1920 0.603E-02 0.175E-01
DAV: 3 -0.193604395288E+04 0.29060E-03 -0.20353E-03 1952 0.276E-02 0.704E-02
DAV: 4 -0.193604390174E+04 0.51136E-04 -0.15777E-04 1760 0.145E-02 0.284E-02
DAV: 5 -0.193604389791E+04 0.38301E-05 -0.29844E-05 1224 0.672E-03
483 T= 3621. E= -.17857913E+04 F= -.19360439E+04 E0= -.19360166E+04 EK= 0.15025E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193574680015E+04 0.29710E+00 -0.66824E-04 2790 0.588E-01 0.862E-02
DAV: 2 -0.193574728532E+04 -0.48517E-03 -0.49191E-03 1912 0.693E-02 0.183E-01
DAV: 3 -0.193574696697E+04 0.31835E-03 -0.26275E-03 1928 0.342E-02 0.846E-02
DAV: 4 -0.193574689469E+04 0.72285E-04 -0.20771E-04 1848 0.169E-02 0.280E-02
DAV: 5 -0.193574689151E+04 0.31827E-05 -0.44813E-05 1576 0.748E-03
484 T= 3614. E= -.17857913E+04 F= -.19357469E+04 E0= -.19357198E+04 EK= 0.14996E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193544708418E+04 0.29981E+00 -0.63762E-04 2750 0.587E-01 0.847E-02
DAV: 2 -0.193544741224E+04 -0.32806E-03 -0.36877E-03 1920 0.690E-02 0.142E-01
DAV: 3 -0.193544724892E+04 0.16332E-03 -0.92005E-04 1982 0.348E-02 0.872E-02
DAV: 4 -0.193544716080E+04 0.88113E-04 -0.26016E-04 1880 0.172E-02 0.273E-02
DAV: 5 -0.193544715860E+04 0.22050E-05 -0.73333E-05 1616 0.785E-03
485 T= 3607. E= -.17857913E+04 F= -.19354472E+04 E0= -.19354202E+04 EK= 0.14966E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193514425855E+04 0.30290E+00 -0.59325E-04 2742 0.585E-01 0.747E-02
DAV: 2 -0.193514443328E+04 -0.17473E-03 -0.30771E-03 1920 0.604E-02 0.919E-02
DAV: 3 -0.193514441689E+04 0.16386E-04 -0.68432E-04 1984 0.290E-02 0.885E-02
DAV: 4 -0.193514433364E+04 0.83258E-04 -0.25516E-04 1824 0.145E-02 0.271E-02
DAV: 5 -0.193514432885E+04 0.47847E-05 -0.78098E-05 1288 0.764E-03
486 T= 3600. E= -.17857913E+04 F= -.19351443E+04 E0= -.19351174E+04 EK= 0.14935E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193483798704E+04 0.30635E+00 -0.62541E-04 2710 0.585E-01 0.745E-02
DAV: 2 -0.193483839627E+04 -0.40923E-03 -0.36880E-03 1944 0.597E-02 0.162E-01
DAV: 3 -0.193483815644E+04 0.23983E-03 -0.15389E-03 1984 0.271E-02 0.721E-02
DAV: 4 -0.193483809578E+04 0.60657E-04 -0.22691E-04 1824 0.139E-02 0.238E-02
DAV: 5 -0.193483809363E+04 0.21508E-05 -0.30685E-05 1208 0.657E-03
487 T= 3592. E= -.17857912E+04 F= -.19348381E+04 E0= -.19348112E+04 EK= 0.14905E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193452812620E+04 0.30997E+00 -0.85112E-04 2830 0.584E-01 0.754E-02
DAV: 2 -0.193452838959E+04 -0.26338E-03 -0.35331E-03 1920 0.613E-02 0.119E-01
DAV: 3 -0.193452830944E+04 0.80141E-04 -0.15578E-03 1952 0.269E-02 0.874E-02
DAV: 4 -0.193452822372E+04 0.85726E-04 -0.28100E-04 1792 0.142E-02 0.255E-02
DAV: 5 -0.193452822009E+04 0.36256E-05 -0.28073E-05 1232 0.687E-03
488 T= 3585. E= -.17857913E+04 F= -.19345282E+04 E0= -.19345015E+04 EK= 0.14874E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193421441503E+04 0.31381E+00 -0.61053E-04 2726 0.582E-01 0.812E-02
DAV: 2 -0.193421497494E+04 -0.55991E-03 -0.36391E-03 1952 0.663E-02 0.198E-01
DAV: 3 -0.193421451478E+04 0.46015E-03 -0.11707E-03 1984 0.363E-02 0.622E-02
DAV: 4 -0.193421448268E+04 0.32099E-04 -0.16683E-04 1824 0.158E-02 0.296E-02
DAV: 5 -0.193421447755E+04 0.51337E-05 -0.50344E-05 1424 0.711E-03
489 T= 3577. E= -.17857912E+04 F= -.19342145E+04 E0= -.19341879E+04 EK= 0.14842E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193389665768E+04 0.31782E+00 -0.53315E-04 2620 0.579E-01 0.765E-02
DAV: 2 -0.193389714117E+04 -0.48349E-03 -0.34855E-03 1952 0.639E-02 0.181E-01
DAV: 3 -0.193389678112E+04 0.36005E-03 -0.14026E-03 1968 0.345E-02 0.660E-02
DAV: 4 -0.193389673871E+04 0.42407E-04 -0.13848E-04 1824 0.152E-02 0.255E-02
DAV: 5 -0.193389673681E+04 0.19055E-05 -0.32087E-05 1288 0.648E-03
490 T= 3569. E= -.17857912E+04 F= -.19338967E+04 E0= -.19338702E+04 EK= 0.14811E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193357493942E+04 0.32180E+00 -0.40118E-04 2492 0.579E-01 0.796E-02
DAV: 2 -0.193357524078E+04 -0.30136E-03 -0.36763E-03 1920 0.616E-02 0.150E-01
DAV: 3 -0.193357506695E+04 0.17383E-03 -0.19758E-03 1942 0.289E-02 0.828E-02
DAV: 4 -0.193357498860E+04 0.78354E-04 -0.24197E-04 1800 0.151E-02 0.246E-02
DAV: 5 -0.193357498551E+04 0.30915E-05 -0.33982E-05 1376 0.719E-03
491 T= 3562. E= -.17857912E+04 F= -.19335750E+04 E0= -.19335486E+04 EK= 0.14778E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193324920176E+04 0.32579E+00 -0.31136E-04 2144 0.577E-01 0.752E-02
DAV: 2 -0.193324944679E+04 -0.24503E-03 -0.29563E-03 1928 0.594E-02 0.133E-01
DAV: 3 -0.193324930800E+04 0.13879E-03 -0.13878E-03 1944 0.304E-02 0.788E-02
DAV: 4 -0.193324923486E+04 0.73148E-04 -0.18316E-04 1808 0.154E-02 0.222E-02
DAV: 5 -0.193324923233E+04 0.25209E-05 -0.40158E-05 1504 0.756E-03
492 T= 3554. E= -.17857912E+04 F= -.19332492E+04 E0= -.19332229E+04 EK= 0.14746E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193291948541E+04 0.32975E+00 -0.54507E-04 2624 0.576E-01 0.649E-02
DAV: 2 -0.193291990363E+04 -0.41822E-03 -0.32789E-03 1936 0.535E-02 0.173E-01
DAV: 3 -0.193291960852E+04 0.29511E-03 -0.14843E-03 1944 0.250E-02 0.574E-02
DAV: 4 -0.193291957279E+04 0.35725E-04 -0.16084E-04 1744 0.127E-02 0.219E-02
DAV: 5 -0.193291957143E+04 0.13668E-05 -0.21998E-05 1104 0.539E-03
493 T= 3546. E= -.17857912E+04 F= -.19329196E+04 E0= -.19328935E+04 EK= 0.14713E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193258617195E+04 0.33340E+00 -0.47858E-04 2590 0.575E-01 0.696E-02
DAV: 2 -0.193258648536E+04 -0.31341E-03 -0.29784E-03 1928 0.562E-02 0.149E-01
DAV: 3 -0.193258628073E+04 0.20463E-03 -0.13542E-03 1952 0.257E-02 0.676E-02
DAV: 4 -0.193258622721E+04 0.53524E-04 -0.21951E-04 1768 0.137E-02 0.224E-02
DAV: 5 -0.193258622391E+04 0.32934E-05 -0.37300E-05 1200 0.666E-03
494 T= 3538. E= -.17857911E+04 F= -.19325862E+04 E0= -.19325603E+04 EK= 0.14680E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193224938716E+04 0.33684E+00 -0.36636E-04 2246 0.573E-01 0.793E-02
DAV: 2 -0.193224980022E+04 -0.41306E-03 -0.30780E-03 1920 0.642E-02 0.177E-01
DAV: 3 -0.193224946531E+04 0.33491E-03 -0.95998E-04 1982 0.350E-02 0.685E-02
DAV: 4 -0.193224942056E+04 0.44750E-04 -0.21337E-04 1816 0.162E-02 0.264E-02
DAV: 5 -0.193224941659E+04 0.39743E-05 -0.67187E-05 1558 0.772E-03
495 T= 3530. E= -.17857911E+04 F= -.19322494E+04 E0= -.19322236E+04 EK= 0.14646E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193190935676E+04 0.34006E+00 -0.75182E-04 2734 0.570E-01 0.747E-02
DAV: 2 -0.193190974913E+04 -0.39237E-03 -0.32960E-03 1944 0.635E-02 0.161E-01
DAV: 3 -0.193190950489E+04 0.24425E-03 -0.11247E-03 1968 0.328E-02 0.713E-02
DAV: 4 -0.193190945811E+04 0.46780E-04 -0.25744E-04 1816 0.153E-02 0.254E-02
DAV: 5 -0.193190945474E+04 0.33668E-05 -0.53352E-05 1400 0.710E-03
496 T= 3522. E= -.17857910E+04 F= -.19319095E+04 E0= -.19318837E+04 EK= 0.14612E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193156669169E+04 0.34277E+00 -0.89815E-04 2830 0.569E-01 0.783E-02
DAV: 2 -0.193156717421E+04 -0.48252E-03 -0.40727E-03 1928 0.623E-02 0.187E-01
DAV: 3 -0.193156683691E+04 0.33730E-03 -0.18880E-03 1960 0.284E-02 0.699E-02
DAV: 4 -0.193156677880E+04 0.58112E-04 -0.22146E-04 1808 0.148E-02 0.233E-02
DAV: 5 -0.193156677573E+04 0.30714E-05 -0.37820E-05 1376 0.719E-03
497 T= 3513. E= -.17857910E+04 F= -.19315668E+04 E0= -.19315412E+04 EK= 0.14578E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193122177401E+04 0.34500E+00 -0.38606E-04 2286 0.568E-01 0.783E-02
DAV: 2 -0.193122209980E+04 -0.32579E-03 -0.35601E-03 1928 0.613E-02 0.158E-01
DAV: 3 -0.193122187771E+04 0.22209E-03 -0.19364E-03 1918 0.306E-02 0.781E-02
DAV: 4 -0.193122180752E+04 0.70189E-04 -0.20762E-04 1816 0.159E-02 0.240E-02
DAV: 5 -0.193122180277E+04 0.47532E-05 -0.42055E-05 1624 0.805E-03
498 T= 3505. E= -.17857909E+04 F= -.19312218E+04 E0= -.19311965E+04 EK= 0.14543E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193087499222E+04 0.34682E+00 -0.76140E-04 2774 0.568E-01 0.100E-01
DAV: 2 -0.193087671462E+04 -0.17224E-02 -0.48510E-03 2056 0.754E-02 0.360E-01
DAV: 3 -0.193087498589E+04 0.17287E-02 -0.25054E-03 2120 0.491E-02 0.498E-02
DAV: 4 -0.193087502488E+04 -0.38986E-04 -0.21379E-04 1848 0.150E-02 0.332E-02
DAV: 5 -0.193087501902E+04 0.58613E-05 -0.48531E-05 1304 0.660E-03
499 T= 3497. E= -.17857908E+04 F= -.19308750E+04 E0= -.19308498E+04 EK= 0.14508E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193052704399E+04 0.34798E+00 -0.41710E-04 2486 0.568E-01 0.101E-01
DAV: 2 -0.193052826530E+04 -0.12213E-02 -0.49758E-03 2016 0.768E-02 0.326E-01
DAV: 3 -0.193052704123E+04 0.12241E-02 -0.20777E-03 2048 0.459E-02 0.642E-02
DAV: 4 -0.193052703024E+04 0.10992E-04 -0.25475E-04 1880 0.180E-02 0.315E-02
DAV: 5 -0.193052702337E+04 0.68718E-05 -0.81381E-05 1728 0.879E-03
500 T= 3488. E= -.17857908E+04 F= -.19305270E+04 E0= -.19305019E+04 EK= 0.14474E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.193017834573E+04 0.34868E+00 -0.47045E-04 2358 0.564E-01 0.103E-01
DAV: 2 -0.193017917296E+04 -0.82723E-03 -0.65138E-03 1936 0.781E-02 0.276E-01
DAV: 3 -0.193017838952E+04 0.78344E-03 -0.30554E-03 1934 0.437E-02 0.776E-02
DAV: 4 -0.193017834504E+04 0.44479E-04 -0.27213E-04 1872 0.194E-02 0.261E-02
DAV: 5 -0.193017833970E+04 0.53374E-05 -0.58074E-05 1752 0.937E-03
501 T= 3480. E= -.17857908E+04 F= -.19301783E+04 E0= -.19301533E+04 EK= 0.14439E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192982953327E+04 0.34881E+00 -0.48502E-04 2670 0.561E-01 0.927E-02
DAV: 2 -0.192983067544E+04 -0.11422E-02 -0.49897E-03 1984 0.752E-02 0.305E-01
DAV: 3 -0.192982957917E+04 0.10963E-02 -0.29546E-03 1992 0.463E-02 0.588E-02
DAV: 4 -0.192982958881E+04 -0.96443E-05 -0.15966E-04 1856 0.165E-02 0.250E-02
DAV: 5 -0.192982958688E+04 0.19329E-05 -0.38540E-05 1616 0.707E-03
502 T= 3471. E= -.17857907E+04 F= -.19298296E+04 E0= -.19298048E+04 EK= 0.14404E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192948141683E+04 0.34817E+00 -0.67253E-04 2758 0.560E-01 0.907E-02
DAV: 2 -0.192948263814E+04 -0.12213E-02 -0.45505E-03 2000 0.700E-02 0.304E-01
DAV: 3 -0.192948143678E+04 0.12014E-02 -0.21325E-03 2040 0.418E-02 0.510E-02
DAV: 4 -0.192948144154E+04 -0.47604E-05 -0.17635E-04 1816 0.151E-02 0.305E-02
DAV: 5 -0.192948143549E+04 0.60571E-05 -0.56446E-05 1336 0.729E-03
503 T= 3463. E= -.17857906E+04 F= -.19294814E+04 E0= -.19294568E+04 EK= 0.14369E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192913439581E+04 0.34705E+00 -0.61128E-04 2832 0.559E-01 0.907E-02
DAV: 2 -0.192913506370E+04 -0.66789E-03 -0.42988E-03 1984 0.750E-02 0.230E-01
DAV: 3 -0.192913450295E+04 0.56075E-03 -0.13229E-03 2006 0.420E-02 0.795E-02
DAV: 4 -0.192913446558E+04 0.37375E-04 -0.38843E-04 1880 0.178E-02 0.377E-02
DAV: 5 -0.192913445245E+04 0.13125E-04 -0.96945E-05 1708 0.929E-03 0.214E-02
DAV: 6 -0.192913444185E+04 0.10602E-04 -0.36644E-05 1512 0.851E-03 0.178E-02
DAV: 7 -0.192913443523E+04 0.66189E-05 -0.42263E-05 1312 0.940E-03
504 T= 3455. E= -.17857905E+04 F= -.19291344E+04 E0= -.19291098E+04 EK= 0.14334E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192878921603E+04 0.34523E+00 -0.56155E-04 2694 0.562E-01 0.734E-02
DAV: 2 -0.192878997914E+04 -0.76312E-03 -0.36293E-03 1952 0.590E-02 0.252E-01
DAV: 3 -0.192878930260E+04 0.67654E-03 -0.14247E-03 1974 0.331E-02 0.586E-02
DAV: 4 -0.192878930009E+04 0.25112E-05 -0.23814E-04 1824 0.132E-02 0.327E-02
DAV: 5 -0.192878929456E+04 0.55277E-05 -0.28222E-05 1128 0.619E-03
505 T= 3446. E= -.17857905E+04 F= -.19287893E+04 E0= -.19287649E+04 EK= 0.14300E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192844651384E+04 0.34279E+00 -0.57413E-04 2854 0.560E-01 0.755E-02
DAV: 2 -0.192844735172E+04 -0.83788E-03 -0.41725E-03 1968 0.715E-02 0.256E-01
DAV: 3 -0.192844661336E+04 0.73836E-03 -0.12567E-03 2008 0.390E-02 0.693E-02
DAV: 4 -0.192844661055E+04 0.28048E-05 -0.21522E-04 1856 0.152E-02 0.427E-02
DAV: 5 -0.192844659697E+04 0.13587E-04 -0.62776E-05 1656 0.866E-03 0.340E-02
DAV: 6 -0.192844654958E+04 0.47383E-04 -0.18798E-04 1920 0.210E-02 0.193E-02
DAV: 7 -0.192844654679E+04 0.27972E-05 -0.97190E-05 1880 0.128E-02
506 T= 3438. E= -.17857905E+04 F= -.19284465E+04 E0= -.19284222E+04 EK= 0.14266E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192810682072E+04 0.33973E+00 -0.34419E-04 2318 0.555E-01 0.648E-02
DAV: 2 -0.192810736153E+04 -0.54080E-03 -0.19911E-03 2072 0.464E-02 0.227E-01
DAV: 3 -0.192810679548E+04 0.56605E-03 -0.73475E-04 2062 0.297E-02 0.450E-02
DAV: 4 -0.192810681650E+04 -0.21016E-04 -0.14372E-04 1808 0.119E-02 0.257E-02
DAV: 5 -0.192810681363E+04 0.28634E-05 -0.16890E-04 1824 0.182E-02 0.240E-02
DAV: 6 -0.192810680705E+04 0.65865E-05 -0.76975E-05 1280 0.823E-03
507 T= 3430. E= -.17857904E+04 F= -.19281068E+04 E0= -.19280827E+04 EK= 0.14232E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192777074520E+04 0.33607E+00 -0.20492E-04 1708 0.553E-01 0.691E-02
DAV: 2 -0.192777089978E+04 -0.15457E-03 -0.14174E-03 1960 0.469E-02 0.142E-01
DAV: 3 -0.192777069885E+04 0.20093E-03 -0.67951E-04 1976 0.264E-02 0.430E-02
DAV: 4 -0.192777067946E+04 0.19388E-04 -0.14538E-04 1776 0.104E-02 0.204E-02
DAV: 5 -0.192777066957E+04 0.98876E-05 -0.64803E-05 1176 0.667E-03
508 T= 3422. E= -.17857904E+04 F= -.19277707E+04 E0= -.19277469E+04 EK= 0.14198E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192743850409E+04 0.33218E+00 -0.32232E-04 2156 0.551E-01 0.423E-02
DAV: 2 -0.192743865087E+04 -0.14679E-03 -0.15119E-03 1944 0.360E-02 0.822E-02
DAV: 3 -0.192743857258E+04 0.78292E-04 -0.42259E-04 1968 0.171E-02 0.427E-02
DAV: 4 -0.192743855224E+04 0.20343E-04 -0.46280E-05 1368 0.938E-03 0.192E-02
DAV: 5 -0.192743854994E+04 0.22966E-05 -0.22586E-05 1048 0.531E-03
509 T= 3414. E= -.17857902E+04 F= -.19274385E+04 E0= -.19274149E+04 EK= 0.14165E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192711093660E+04 0.32762E+00 -0.40963E-04 2380 0.553E-01 0.416E-02
DAV: 2 -0.192711118207E+04 -0.24547E-03 -0.23806E-03 1984 0.386E-02 0.116E-01
DAV: 3 -0.192711102343E+04 0.15864E-03 -0.96568E-04 1920 0.190E-02 0.432E-02
DAV: 4 -0.192711100585E+04 0.17577E-04 -0.53799E-05 1560 0.889E-03 0.217E-02
DAV: 5 -0.192711100411E+04 0.17395E-05 -0.13138E-05 1048 0.428E-03
510 T= 3406. E= -.17857902E+04 F= -.19271110E+04 E0= -.19270875E+04 EK= 0.14132E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192678838804E+04 0.32262E+00 -0.25672E-04 2452 0.551E-01 0.633E-02
DAV: 2 -0.192678874804E+04 -0.36000E-03 -0.26687E-03 1952 0.534E-02 0.162E-01
DAV: 3 -0.192678846609E+04 0.28195E-03 -0.90758E-04 1952 0.285E-02 0.626E-02
DAV: 4 -0.192678842792E+04 0.38168E-04 -0.13208E-04 1824 0.139E-02 0.272E-02
DAV: 5 -0.192678842101E+04 0.69143E-05 -0.38853E-05 1608 0.765E-03
511 T= 3398. E= -.17857902E+04 F= -.19267884E+04 E0= -.19267651E+04 EK= 0.14100E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192647094328E+04 0.31748E+00 -0.45126E-04 2780 0.549E-01 0.618E-02
DAV: 2 -0.192647152777E+04 -0.58449E-03 -0.33537E-03 1920 0.595E-02 0.191E-01
DAV: 3 -0.192647113579E+04 0.39198E-03 -0.54469E-04 1974 0.283E-02 0.682E-02
DAV: 4 -0.192647111251E+04 0.23277E-04 -0.12221E-04 1768 0.130E-02 0.411E-02
DAV: 5 -0.192647111189E+04 0.62518E-06 -0.16146E-05 1064 0.472E-03
512 T= 3390. E= -.17857902E+04 F= -.19264711E+04 E0= -.19264479E+04 EK= 0.14068E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192615922780E+04 0.31188E+00 -0.62667E-04 2896 0.547E-01 0.106E-01
DAV: 2 -0.192615960507E+04 -0.37727E-03 -0.61751E-03 1896 0.875E-02 0.124E-01
DAV: 3 -0.192615952633E+04 0.78735E-04 -0.66862E-04 2048 0.382E-02 0.117E-01
DAV: 4 -0.192615938903E+04 0.13731E-03 -0.30654E-04 1928 0.204E-02 0.385E-02
DAV: 5 -0.192615938618E+04 0.28420E-05 -0.98559E-05 1752 0.985E-03
513 T= 3383. E= -.17857901E+04 F= -.19261594E+04 E0= -.19261364E+04 EK= 0.14037E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192585337957E+04 0.30601E+00 -0.80834E-04 2894 0.545E-01 0.135E-01
DAV: 2 -0.192585360123E+04 -0.22166E-03 -0.77233E-03 1888 0.104E-01 0.101E-01
DAV: 3 -0.192585355272E+04 0.48511E-04 -0.18455E-03 2064 0.437E-02 0.101E-01
DAV: 4 -0.192585344495E+04 0.10777E-03 -0.68388E-04 1872 0.189E-02 0.386E-02
DAV: 5 -0.192585343476E+04 0.10185E-04 -0.74277E-05 1768 0.979E-03 0.228E-02
DAV: 6 -0.192585342860E+04 0.61626E-05 -0.25821E-05 1064 0.611E-03
514 T= 3376. E= -.17857901E+04 F= -.19258534E+04 E0= -.19258306E+04 EK= 0.14006E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192555326423E+04 0.30017E+00 -0.34155E-04 2812 0.546E-01 0.972E-02
DAV: 2 -0.192555367266E+04 -0.40843E-03 -0.50461E-03 1896 0.791E-02 0.160E-01
DAV: 3 -0.192555348998E+04 0.18268E-03 -0.13151E-03 2008 0.365E-02 0.109E-01
DAV: 4 -0.192555335916E+04 0.13082E-03 -0.25517E-04 1936 0.195E-02 0.323E-02
DAV: 5 -0.192555335631E+04 0.28475E-05 -0.87111E-05 1712 0.889E-03
515 T= 3368. E= -.17857900E+04 F= -.19255534E+04 E0= -.19255308E+04 EK= 0.13976E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192525920968E+04 0.29415E+00 -0.23590E-04 2064 0.545E-01 0.846E-02
DAV: 2 -0.192525955859E+04 -0.34891E-03 -0.34791E-03 1904 0.675E-02 0.162E-01
DAV: 3 -0.192525932685E+04 0.23174E-03 -0.88756E-04 2072 0.337E-02 0.866E-02
DAV: 4 -0.192525924745E+04 0.79401E-04 -0.21913E-04 1968 0.180E-02 0.260E-02
DAV: 5 -0.192525924404E+04 0.34090E-05 -0.87180E-05 1744 0.950E-03
516 T= 3361. E= -.17857900E+04 F= -.19252592E+04 E0= -.19252368E+04 EK= 0.13947E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192497090522E+04 0.28834E+00 -0.39125E-04 2614 0.542E-01 0.723E-02
DAV: 2 -0.192497134897E+04 -0.44375E-03 -0.43839E-03 1912 0.607E-02 0.175E-01
DAV: 3 -0.192497102344E+04 0.32553E-03 -0.20747E-03 1926 0.289E-02 0.670E-02
DAV: 4 -0.192497098030E+04 0.43144E-04 -0.14100E-04 1816 0.148E-02 0.265E-02
DAV: 5 -0.192497097792E+04 0.23826E-05 -0.32341E-05 1200 0.671E-03
517 T= 3354. E= -.17857900E+04 F= -.19249710E+04 E0= -.19249488E+04 EK= 0.13918E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192468833637E+04 0.28264E+00 -0.33376E-04 2590 0.541E-01 0.757E-02
DAV: 2 -0.192468880447E+04 -0.46810E-03 -0.47430E-03 1928 0.648E-02 0.167E-01
DAV: 3 -0.192468850331E+04 0.30116E-03 -0.17514E-03 1944 0.328E-02 0.812E-02
DAV: 4 -0.192468843881E+04 0.64507E-04 -0.14670E-04 1880 0.165E-02 0.317E-02
DAV: 5 -0.192468843767E+04 0.11360E-05 -0.39138E-05 1432 0.676E-03
518 T= 3348. E= -.17857900E+04 F= -.19246884E+04 E0= -.19246665E+04 EK= 0.13890E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192441132103E+04 0.27712E+00 -0.30454E-04 2710 0.540E-01 0.924E-02
DAV: 2 -0.192441184590E+04 -0.52487E-03 -0.45525E-03 1936 0.752E-02 0.193E-01
DAV: 3 -0.192441150596E+04 0.33995E-03 -0.11415E-03 2046 0.359E-02 0.991E-02
DAV: 4 -0.192441139035E+04 0.11561E-03 -0.20850E-04 1968 0.198E-02 0.308E-02
DAV: 5 -0.192441138780E+04 0.25414E-05 -0.66820E-05 1744 0.926E-03
519 T= 3341. E= -.17857900E+04 F= -.19244114E+04 E0= -.19243896E+04 EK= 0.13862E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192413941747E+04 0.27197E+00 -0.38874E-04 2566 0.540E-01 0.103E-01
DAV: 2 -0.192414000477E+04 -0.58729E-03 -0.60463E-03 1920 0.825E-02 0.221E-01
DAV: 3 -0.192413956189E+04 0.44288E-03 -0.23904E-03 2022 0.424E-02 0.101E-01
DAV: 4 -0.192413946212E+04 0.99766E-04 -0.35593E-04 1912 0.210E-02 0.303E-02
DAV: 5 -0.192413946086E+04 0.12668E-05 -0.69431E-05 1720 0.937E-03
520 T= 3334. E= -.17857900E+04 F= -.19241395E+04 E0= -.19241178E+04 EK= 0.13835E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192387221150E+04 0.26725E+00 -0.23434E-04 2246 0.540E-01 0.977E-02
DAV: 2 -0.192387272173E+04 -0.51023E-03 -0.46936E-03 1920 0.767E-02 0.206E-01
DAV: 3 -0.192387232164E+04 0.40009E-03 -0.22838E-03 2056 0.412E-02 0.930E-02
DAV: 4 -0.192387224157E+04 0.80064E-04 -0.23397E-04 1888 0.190E-02 0.267E-02
DAV: 5 -0.192387224246E+04 -0.88480E-06 -0.50007E-05 1656 0.779E-03
521 T= 3328. E= -.17857900E+04 F= -.19238722E+04 E0= -.19238510E+04 EK= 0.13808E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192360929470E+04 0.26295E+00 -0.17018E-04 1478 0.540E-01 0.955E-02
DAV: 2 -0.192360978289E+04 -0.48819E-03 -0.32991E-03 1928 0.665E-02 0.202E-01
DAV: 3 -0.192360934212E+04 0.44077E-03 -0.13883E-03 1998 0.328E-02 0.798E-02
DAV: 4 -0.192360926761E+04 0.74503E-04 -0.15017E-04 1872 0.168E-02 0.244E-02
DAV: 5 -0.192360926603E+04 0.15848E-05 -0.54994E-05 1640 0.821E-03
522 T= 3322. E= -.17857901E+04 F= -.19236093E+04 E0= -.19235883E+04 EK= 0.13782E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192334987570E+04 0.25939E+00 -0.18164E-04 2166 0.539E-01 0.739E-02
DAV: 2 -0.192335019297E+04 -0.31728E-03 -0.23910E-03 1920 0.551E-02 0.161E-01
DAV: 3 -0.192334994624E+04 0.24673E-03 -0.71614E-04 2024 0.270E-02 0.682E-02
DAV: 4 -0.192334989058E+04 0.55666E-04 -0.10112E-04 1816 0.138E-02 0.207E-02
DAV: 5 -0.192334988811E+04 0.24658E-05 -0.38488E-05 1352 0.718E-03
523 T= 3315. E= -.17857901E+04 F= -.19233499E+04 E0= -.19233290E+04 EK= 0.13756E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192309337750E+04 0.25651E+00 -0.39400E-04 2158 0.538E-01 0.755E-02
DAV: 2 -0.192309407670E+04 -0.69920E-03 -0.47871E-03 1928 0.591E-02 0.247E-01
DAV: 3 -0.192309341414E+04 0.66256E-03 -0.22121E-03 2000 0.358E-02 0.517E-02
DAV: 4 -0.192309341681E+04 -0.26718E-05 -0.11625E-04 1832 0.133E-02 0.226E-02
DAV: 5 -0.192309341571E+04 0.10969E-05 -0.19285E-05 1120 0.514E-03
524 T= 3309. E= -.17857902E+04 F= -.19230934E+04 E0= -.19230729E+04 EK= 0.13730E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192283907130E+04 0.25435E+00 -0.23037E-04 2158 0.537E-01 0.783E-02
DAV: 2 -0.192283963908E+04 -0.56778E-03 -0.36040E-03 1928 0.616E-02 0.219E-01
DAV: 3 -0.192283911747E+04 0.52161E-03 -0.17059E-03 1974 0.360E-02 0.638E-02
DAV: 4 -0.192283909514E+04 0.22327E-04 -0.12526E-04 1864 0.153E-02 0.258E-02
DAV: 5 -0.192283909209E+04 0.30485E-05 -0.35115E-05 1416 0.672E-03
525 T= 3303. E= -.17857902E+04 F= -.19228391E+04 E0= -.19228189E+04 EK= 0.13705E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192258600774E+04 0.25309E+00 -0.30798E-04 2054 0.537E-01 0.940E-02
DAV: 2 -0.192258695413E+04 -0.94639E-03 -0.43852E-03 1944 0.641E-02 0.272E-01
DAV: 3 -0.192258605101E+04 0.90312E-03 -0.20391E-03 1976 0.339E-02 0.622E-02
DAV: 4 -0.192258600993E+04 0.41075E-04 -0.14719E-04 1832 0.161E-02 0.266E-02
DAV: 5 -0.192258600630E+04 0.36326E-05 -0.46854E-05 1624 0.806E-03
526 T= 3297. E= -.17857903E+04 F= -.19225860E+04 E0= -.19225661E+04 EK= 0.13680E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192233315900E+04 0.25285E+00 -0.21017E-04 2334 0.537E-01 0.893E-02
DAV: 2 -0.192233394205E+04 -0.78304E-03 -0.37662E-03 1944 0.646E-02 0.259E-01
DAV: 3 -0.192233323377E+04 0.70828E-03 -0.12907E-03 2000 0.340E-02 0.728E-02
DAV: 4 -0.192233318379E+04 0.49982E-04 -0.14341E-04 1864 0.160E-02 0.282E-02
DAV: 5 -0.192233318137E+04 0.24185E-05 -0.48667E-05 1520 0.736E-03
527 T= 3291. E= -.17857903E+04 F= -.19223332E+04 E0= -.19223135E+04 EK= 0.13654E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192207959762E+04 0.25359E+00 -0.38714E-04 2158 0.538E-01 0.971E-02
DAV: 2 -0.192208037324E+04 -0.77562E-03 -0.58680E-03 1928 0.743E-02 0.268E-01
DAV: 3 -0.192207962110E+04 0.75214E-03 -0.27110E-03 2006 0.436E-02 0.722E-02
DAV: 4 -0.192207959937E+04 0.21739E-04 -0.20243E-04 1872 0.177E-02 0.267E-02
DAV: 5 -0.192207959630E+04 0.30673E-05 -0.45366E-05 1656 0.768E-03
528 T= 3285. E= -.17857904E+04 F= -.19220796E+04 E0= -.19220601E+04 EK= 0.13629E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192182410554E+04 0.25549E+00 -0.23974E-04 2302 0.537E-01 0.875E-02
DAV: 2 -0.192182456182E+04 -0.45627E-03 -0.34798E-03 1912 0.652E-02 0.201E-01
DAV: 3 -0.192182415534E+04 0.40647E-03 -0.15189E-03 2008 0.365E-02 0.761E-02
DAV: 4 -0.192182410553E+04 0.49813E-04 -0.15514E-04 1864 0.164E-02 0.246E-02
DAV: 5 -0.192182410196E+04 0.35647E-05 -0.48185E-05 1664 0.795E-03
529 T= 3278. E= -.17857905E+04 F= -.19218241E+04 E0= -.19218051E+04 EK= 0.13603E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192156546180E+04 0.25864E+00 -0.38288E-04 2286 0.536E-01 0.943E-02
DAV: 2 -0.192156667145E+04 -0.12096E-02 -0.44206E-03 1944 0.577E-02 0.311E-01
DAV: 3 -0.192156546834E+04 0.12031E-02 -0.25030E-03 1992 0.339E-02 0.477E-02
DAV: 4 -0.192156545337E+04 0.14971E-04 -0.12714E-04 1824 0.134E-02 0.228E-02
DAV: 5 -0.192156545058E+04 0.27829E-05 -0.26451E-05 1248 0.669E-03
530 T= 3272. E= -.17857905E+04 F= -.19215655E+04 E0= -.19215467E+04 EK= 0.13577E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192130235347E+04 0.26310E+00 -0.25850E-04 2406 0.535E-01 0.859E-02
DAV: 2 -0.192130332708E+04 -0.97362E-03 -0.32929E-03 1952 0.561E-02 0.296E-01
DAV: 3 -0.192130237567E+04 0.95141E-03 -0.13579E-03 1998 0.326E-02 0.559E-02
DAV: 4 -0.192130235534E+04 0.20333E-04 -0.11369E-04 1816 0.138E-02 0.294E-02
DAV: 5 -0.192130234991E+04 0.54244E-05 -0.41934E-05 1256 0.684E-03
531 T= 3266. E= -.17857906E+04 F= -.19213023E+04 E0= -.19212839E+04 EK= 0.13551E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192103334817E+04 0.26901E+00 -0.49150E-04 2630 0.535E-01 0.877E-02
DAV: 2 -0.192103415809E+04 -0.80992E-03 -0.51033E-03 1928 0.691E-02 0.265E-01
DAV: 3 -0.192103339238E+04 0.76571E-03 -0.21013E-03 1976 0.415E-02 0.649E-02
DAV: 4 -0.192103338196E+04 0.10415E-04 -0.16982E-04 1872 0.164E-02 0.264E-02
DAV: 5 -0.192103337747E+04 0.44926E-05 -0.40504E-05 1632 0.759E-03
532 T= 3259. E= -.17857907E+04 F= -.19210334E+04 E0= -.19210152E+04 EK= 0.13524E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192075699166E+04 0.27639E+00 -0.49317E-04 2806 0.535E-01 0.866E-02
DAV: 2 -0.192075789503E+04 -0.90337E-03 -0.41762E-03 1952 0.648E-02 0.272E-01
DAV: 3 -0.192075708902E+04 0.80601E-03 -0.14036E-03 2006 0.356E-02 0.709E-02
DAV: 4 -0.192075704787E+04 0.41146E-04 -0.14234E-04 1824 0.163E-02 0.276E-02
DAV: 5 -0.192075704440E+04 0.34746E-05 -0.41382E-05 1608 0.726E-03
533 T= 3253. E= -.17857908E+04 F= -.19207570E+04 E0= -.19207392E+04 EK= 0.13497E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192047176385E+04 0.28528E+00 -0.45923E-04 2646 0.536E-01 0.815E-02
DAV: 2 -0.192047233132E+04 -0.56747E-03 -0.39999E-03 1936 0.659E-02 0.207E-01
DAV: 3 -0.192047187719E+04 0.45413E-03 -0.11942E-03 1952 0.352E-02 0.763E-02
DAV: 4 -0.192047182666E+04 0.50531E-04 -0.16021E-04 1872 0.164E-02 0.281E-02
DAV: 5 -0.192047182187E+04 0.47865E-05 -0.48537E-05 1656 0.800E-03
534 T= 3246. E= -.17857909E+04 F= -.19204718E+04 E0= -.19204543E+04 EK= 0.13468E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.192017605718E+04 0.29577E+00 -0.70427E-04 2822 0.535E-01 0.915E-02
DAV: 2 -0.192017696778E+04 -0.91060E-03 -0.81376E-03 1920 0.734E-02 0.266E-01
DAV: 3 -0.192017614097E+04 0.82681E-03 -0.41801E-03 1952 0.408E-02 0.686E-02
DAV: 4 -0.192017611278E+04 0.28190E-04 -0.16494E-04 1872 0.169E-02 0.312E-02
DAV: 5 -0.192017610780E+04 0.49784E-05 -0.40966E-05 1400 0.729E-03
535 T= 3239. E= -.17857911E+04 F= -.19201761E+04 E0= -.19201590E+04 EK= 0.13439E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191986827882E+04 0.30783E+00 -0.47773E-04 2542 0.535E-01 0.101E-01
DAV: 2 -0.191986912068E+04 -0.84186E-03 -0.94392E-03 1920 0.819E-02 0.251E-01
DAV: 3 -0.191986839144E+04 0.72924E-03 -0.48605E-03 1948 0.474E-02 0.945E-02
DAV: 4 -0.191986831599E+04 0.75447E-04 -0.22794E-04 1920 0.202E-02 0.391E-02
DAV: 5 -0.191986830550E+04 0.10493E-04 -0.91238E-05 1736 0.927E-03 0.217E-02
DAV: 6 -0.191986829815E+04 0.73490E-05 -0.23499E-05 1136 0.679E-03
536 T= 3231. E= -.17857912E+04 F= -.19198683E+04 E0= -.19198516E+04 EK= 0.13408E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191954674799E+04 0.32156E+00 -0.43168E-04 2798 0.535E-01 0.841E-02
DAV: 2 -0.191954724345E+04 -0.49546E-03 -0.53548E-03 1920 0.695E-02 0.186E-01
DAV: 3 -0.191954689533E+04 0.34812E-03 -0.24248E-03 1960 0.353E-02 0.845E-02
DAV: 4 -0.191954682650E+04 0.68832E-04 -0.21268E-04 1896 0.169E-02 0.299E-02
DAV: 5 -0.191954682456E+04 0.19375E-05 -0.36567E-05 1464 0.714E-03
537 T= 3224. E= -.17857913E+04 F= -.19195468E+04 E0= -.19195304E+04 EK= 0.13376E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191921012899E+04 0.33670E+00 -0.42652E-04 2630 0.534E-01 0.859E-02
DAV: 2 -0.191921047088E+04 -0.34189E-03 -0.42242E-03 1904 0.696E-02 0.154E-01
DAV: 3 -0.191921028839E+04 0.18249E-03 -0.11490E-03 2072 0.350E-02 0.997E-02
DAV: 4 -0.191921018605E+04 0.10234E-03 -0.24280E-04 1904 0.179E-02 0.314E-02
DAV: 5 -0.191921018233E+04 0.37264E-05 -0.63050E-05 1728 0.875E-03
538 T= 3215. E= -.17857915E+04 F= -.19192102E+04 E0= -.19191939E+04 EK= 0.13342E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191885692508E+04 0.35326E+00 -0.39635E-04 2752 0.534E-01 0.104E-01
DAV: 2 -0.191885794655E+04 -0.10215E-02 -0.45972E-03 1928 0.729E-02 0.297E-01
DAV: 3 -0.191885703331E+04 0.91324E-03 -0.15128E-03 2000 0.364E-02 0.903E-02
DAV: 4 -0.191885694281E+04 0.90499E-04 -0.18708E-04 1880 0.192E-02 0.373E-02
DAV: 5 -0.191885693611E+04 0.67025E-05 -0.61058E-05 1736 0.895E-03
539 T= 3207. E= -.17857916E+04 F= -.19188569E+04 E0= -.19188411E+04 EK= 0.13307E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191848590431E+04 0.37104E+00 -0.26819E-04 2496 0.535E-01 0.102E-01
DAV: 2 -0.191848639851E+04 -0.49420E-03 -0.43256E-03 1920 0.747E-02 0.190E-01
DAV: 3 -0.191848604552E+04 0.35299E-03 -0.12668E-03 2008 0.353E-02 0.108E-01
DAV: 4 -0.191848591083E+04 0.13469E-03 -0.21800E-04 1928 0.197E-02 0.354E-02
DAV: 5 -0.191848590440E+04 0.64280E-05 -0.68565E-05 1736 0.916E-03
540 T= 3198. E= -.17857916E+04 F= -.19184859E+04 E0= -.19184704E+04 EK= 0.13269E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191809617892E+04 0.38973E+00 -0.48745E-04 2702 0.535E-01 0.104E-01
DAV: 2 -0.191809688066E+04 -0.70175E-03 -0.71108E-03 1920 0.801E-02 0.249E-01
DAV: 3 -0.191809621649E+04 0.66418E-03 -0.38899E-03 1968 0.448E-02 0.786E-02
DAV: 4 -0.191809617660E+04 0.39888E-04 -0.22430E-04 1872 0.192E-02 0.329E-02
DAV: 5 -0.191809617007E+04 0.65256E-05 -0.58687E-05 1686 0.858E-03
541 T= 3189. E= -.17857917E+04 F= -.19180962E+04 E0= -.19180810E+04 EK= 0.13230E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191768719796E+04 0.40898E+00 -0.35195E-04 2390 0.532E-01 0.952E-02
DAV: 2 -0.191768789626E+04 -0.69830E-03 -0.64335E-03 1912 0.742E-02 0.249E-01
DAV: 3 -0.191768723537E+04 0.66089E-03 -0.32244E-03 2014 0.437E-02 0.772E-02
DAV: 4 -0.191768719609E+04 0.39282E-04 -0.17706E-04 1864 0.180E-02 0.288E-02
DAV: 5 -0.191768719044E+04 0.56454E-05 -0.66658E-05 1686 0.824E-03
542 T= 3179. E= -.17857918E+04 F= -.19176872E+04 E0= -.19176722E+04 EK= 0.13190E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191725894338E+04 0.42825E+00 -0.23384E-04 2408 0.531E-01 0.937E-02
DAV: 2 -0.191725992585E+04 -0.98247E-03 -0.33984E-03 1944 0.631E-02 0.297E-01
DAV: 3 -0.191725898075E+04 0.94509E-03 -0.12317E-03 2008 0.346E-02 0.708E-02
DAV: 4 -0.191725893323E+04 0.47522E-04 -0.14785E-04 1856 0.166E-02 0.325E-02
DAV: 5 -0.191725892568E+04 0.75543E-05 -0.47282E-05 1568 0.811E-03
543 T= 3168. E= -.17857918E+04 F= -.19172589E+04 E0= -.19172443E+04 EK= 0.13147E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191681193387E+04 0.44700E+00 -0.36977E-04 2654 0.530E-01 0.860E-02
DAV: 2 -0.191681253916E+04 -0.60528E-03 -0.38660E-03 1936 0.630E-02 0.211E-01
DAV: 3 -0.191681201779E+04 0.52136E-03 -0.12505E-03 2012 0.337E-02 0.797E-02
DAV: 4 -0.191681194825E+04 0.69544E-04 -0.14546E-04 1864 0.169E-02 0.327E-02
DAV: 5 -0.191681194168E+04 0.65704E-05 -0.49012E-05 1600 0.797E-03
544 T= 3158. E= -.17857918E+04 F= -.19168119E+04 E0= -.19167977E+04 EK= 0.13102E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191634751827E+04 0.46443E+00 -0.74674E-04 2796 0.528E-01 0.107E-01
DAV: 2 -0.191634878372E+04 -0.12654E-02 -0.99448E-03 1960 0.825E-02 0.331E-01
DAV: 3 -0.191634751435E+04 0.12694E-02 -0.51900E-03 2024 0.502E-02 0.708E-02
DAV: 4 -0.191634751764E+04 -0.32824E-05 -0.20979E-04 1864 0.185E-02 0.354E-02
DAV: 5 -0.191634750956E+04 0.80751E-05 -0.45507E-05 1696 0.795E-03
545 T= 3146. E= -.17857917E+04 F= -.19163475E+04 E0= -.19163336E+04 EK= 0.13056E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191586773641E+04 0.47978E+00 -0.55190E-04 2732 0.528E-01 0.112E-01
DAV: 2 -0.191586867041E+04 -0.93399E-03 -0.88386E-03 1928 0.840E-02 0.295E-01
DAV: 3 -0.191586776660E+04 0.90381E-03 -0.45873E-03 2000 0.497E-02 0.915E-02
DAV: 4 -0.191586771753E+04 0.49063E-04 -0.25616E-04 1856 0.205E-02 0.366E-02
DAV: 5 -0.191586770865E+04 0.88820E-05 -0.62762E-05 1768 0.937E-03
546 T= 3135. E= -.17857915E+04 F= -.19158677E+04 E0= -.19158540E+04 EK= 0.13008E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191537552144E+04 0.49220E+00 -0.37414E-04 2816 0.527E-01 0.112E-01
DAV: 2 -0.191537659558E+04 -0.10741E-02 -0.50600E-03 1912 0.777E-02 0.314E-01
DAV: 3 -0.191537559091E+04 0.10047E-02 -0.16407E-03 2040 0.421E-02 0.961E-02
DAV: 4 -0.191537550352E+04 0.87387E-04 -0.22806E-04 1864 0.207E-02 0.339E-02
DAV: 5 -0.191537549708E+04 0.64415E-05 -0.83680E-05 1800 0.985E-03
547 T= 3123. E= -.17857913E+04 F= -.19153755E+04 E0= -.19153621E+04 EK= 0.12958E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191487483873E+04 0.50066E+00 -0.41933E-04 2502 0.525E-01 0.105E-01
DAV: 2 -0.191487558581E+04 -0.74708E-03 -0.57405E-03 1920 0.785E-02 0.256E-01
DAV: 3 -0.191487489363E+04 0.69218E-03 -0.23570E-03 2052 0.446E-02 0.960E-02
DAV: 4 -0.191487481517E+04 0.78456E-04 -0.21175E-04 1896 0.202E-02 0.311E-02
DAV: 5 -0.191487480621E+04 0.89624E-05 -0.68036E-05 1800 0.997E-03
548 T= 3111. E= -.17857910E+04 F= -.19148748E+04 E0= -.19148617E+04 EK= 0.12908E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191437029995E+04 0.50452E+00 -0.41151E-04 2862 0.522E-01 0.782E-02
DAV: 2 -0.191437082855E+04 -0.52860E-03 -0.36175E-03 1944 0.634E-02 0.198E-01
DAV: 3 -0.191437042993E+04 0.39862E-03 -0.81118E-04 1990 0.300E-02 0.790E-02
DAV: 4 -0.191437035660E+04 0.73328E-04 -0.13106E-04 1880 0.162E-02 0.307E-02
DAV: 5 -0.191437034812E+04 0.84825E-05 -0.51133E-05 1710 0.882E-03
549 T= 3099. E= -.17857907E+04 F= -.19143703E+04 E0= -.19143575E+04 EK= 0.12858E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191386759853E+04 0.50276E+00 -0.66196E-04 2888 0.521E-01 0.844E-02
DAV: 2 -0.191386837882E+04 -0.78029E-03 -0.66177E-03 1912 0.705E-02 0.252E-01
DAV: 3 -0.191386769166E+04 0.68717E-03 -0.27098E-03 2016 0.408E-02 0.770E-02
DAV: 4 -0.191386766558E+04 0.26078E-04 -0.17723E-04 1848 0.173E-02 0.358E-02
DAV: 5 -0.191386765797E+04 0.76105E-05 -0.41796E-05 1616 0.784E-03
550 T= 3087. E= -.17857904E+04 F= -.19138677E+04 E0= -.19138551E+04 EK= 0.12808E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191337282938E+04 0.49484E+00 -0.86841E-04 2918 0.518E-01 0.110E-01
DAV: 2 -0.191337421413E+04 -0.13847E-02 -0.83939E-03 1928 0.857E-02 0.345E-01
DAV: 3 -0.191337292821E+04 0.12859E-02 -0.30525E-03 2022 0.511E-02 0.103E-01
DAV: 4 -0.191337288579E+04 0.42420E-04 -0.29173E-04 1864 0.217E-02 0.445E-02
DAV: 5 -0.191337288017E+04 0.56236E-05 -0.59270E-05 1784 0.856E-03
551 T= 3075. E= -.17857900E+04 F= -.19133729E+04 E0= -.19133607E+04 EK= 0.12758E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191289248706E+04 0.48040E+00 -0.10067E-03 2958 0.518E-01 0.147E-01
DAV: 2 -0.191289452282E+04 -0.20358E-02 -0.90295E-03 1920 0.980E-02 0.388E-01
DAV: 3 -0.191289266266E+04 0.18602E-02 -0.36068E-03 1966 0.504E-02 0.121E-01
DAV: 4 -0.191289249835E+04 0.16431E-03 -0.38968E-04 1880 0.253E-02 0.510E-02
DAV: 5 -0.191289248650E+04 0.11852E-04 -0.11212E-04 1824 0.117E-02 0.340E-02
DAV: 6 -0.191289246882E+04 0.17675E-04 -0.52108E-05 1504 0.818E-03 0.280E-02
DAV: 7 -0.191289243468E+04 0.34136E-04 -0.91889E-05 1872 0.151E-02 0.201E-02
DAV: 8 -0.191289242868E+04 0.60097E-05 -0.83815E-05 1840 0.118E-02
552 T= 3063. E= -.17857896E+04 F= -.19128924E+04 E0= -.19128804E+04 EK= 0.12710E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191243303862E+04 0.45940E+00 -0.36205E-04 2840 0.516E-01 0.914E-02
DAV: 2 -0.191243405003E+04 -0.10114E-02 -0.30824E-03 1984 0.551E-02 0.300E-01
DAV: 3 -0.191243305784E+04 0.99219E-03 -0.15245E-03 2008 0.317E-02 0.695E-02
DAV: 4 -0.191243301406E+04 0.43783E-04 -0.14558E-04 1848 0.156E-02 0.369E-02
DAV: 5 -0.191243300464E+04 0.94217E-05 -0.75433E-05 1832 0.107E-02
553 T= 3052. E= -.17857893E+04 F= -.19124330E+04 E0= -.19124213E+04 EK= 0.12664E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191200087698E+04 0.43214E+00 -0.65845E-04 2862 0.516E-01 0.795E-02
DAV: 2 -0.191200145555E+04 -0.57857E-03 -0.40986E-03 2016 0.514E-02 0.224E-01
DAV: 3 -0.191200079391E+04 0.66164E-03 -0.14856E-03 1974 0.329E-02 0.772E-02
DAV: 4 -0.191200073364E+04 0.60271E-04 -0.20502E-04 1888 0.186E-02 0.405E-02
DAV: 5 -0.191200071555E+04 0.18087E-04 -0.33363E-04 1950 0.213E-02 0.497E-02
DAV: 6 -0.191200067369E+04 0.41856E-04 -0.18853E-04 1904 0.148E-02 0.272E-02
DAV: 7 -0.191200066728E+04 0.64107E-05 -0.59387E-05 1224 0.810E-03
554 T= 3042. E= -.17857889E+04 F= -.19120007E+04 E0= -.19119894E+04 EK= 0.12621E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191160098558E+04 0.39969E+00 -0.62704E-04 2360 0.509E-01 0.706E-02
DAV: 2 -0.191160162953E+04 -0.64394E-03 -0.50505E-03 2160 0.468E-02 0.230E-01
DAV: 3 -0.191160094371E+04 0.68582E-03 -0.23988E-03 2056 0.350E-02 0.478E-02
DAV: 4 -0.191160096438E+04 -0.20669E-04 -0.22178E-04 1872 0.147E-02 0.329E-02
DAV: 5 -0.191160096090E+04 0.34818E-05 -0.13637E-04 1808 0.109E-02 0.267E-02
DAV: 6 -0.191160095627E+04 0.46272E-05 -0.23996E-05 1168 0.611E-03
555 T= 3032. E= -.17857887E+04 F= -.19116010E+04 E0= -.19115897E+04 EK= 0.12581E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191123832250E+04 0.36264E+00 -0.22692E-04 2216 0.506E-01 0.524E-02
DAV: 2 -0.191123848304E+04 -0.16054E-03 -0.16690E-03 1984 0.344E-02 0.127E-01
DAV: 3 -0.191123830438E+04 0.17866E-03 -0.78270E-04 1976 0.203E-02 0.335E-02
DAV: 4 -0.191123828346E+04 0.20921E-04 -0.42479E-05 1544 0.913E-03 0.209E-02
DAV: 5 -0.191123827501E+04 0.84543E-05 -0.20579E-05 1200 0.627E-03
556 T= 3023. E= -.17857885E+04 F= -.19112383E+04 E0= -.19112273E+04 EK= 0.12545E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191091529577E+04 0.32299E+00 -0.13893E-04 1654 0.505E-01 0.563E-02
DAV: 2 -0.191091559767E+04 -0.30190E-03 -0.22401E-03 2032 0.388E-02 0.161E-01
DAV: 3 -0.191091530901E+04 0.28866E-03 -0.85653E-04 2022 0.248E-02 0.515E-02
DAV: 4 -0.191091530778E+04 0.12207E-05 -0.82315E-05 1752 0.104E-02
557 T= 3016. E= -.17857884E+04 F= -.19109153E+04 E0= -.19109046E+04 EK= 0.12513E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191063313716E+04 0.28217E+00 -0.35948E-04 2486 0.506E-01 0.584E-02
DAV: 2 -0.191063334735E+04 -0.21019E-03 -0.24715E-03 1952 0.455E-02 0.981E-02
DAV: 3 -0.191063324019E+04 0.10717E-03 -0.85929E-04 2000 0.228E-02 0.567E-02
DAV: 4 -0.191063321362E+04 0.26561E-04 -0.87401E-05 1800 0.111E-02 0.260E-02
DAV: 5 -0.191063320983E+04 0.37960E-05 -0.26207E-05 1040 0.543E-03
558 T= 3009. E= -.17857884E+04 F= -.19106332E+04 E0= -.19106228E+04 EK= 0.12484E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191039108852E+04 0.24213E+00 -0.16931E-04 2310 0.505E-01 0.743E-02
DAV: 2 -0.191039121333E+04 -0.12481E-03 -0.28360E-03 1896 0.547E-02 0.675E-02
DAV: 3 -0.191039117232E+04 0.41007E-04 -0.91433E-04 1944 0.229E-02 0.606E-02
DAV: 4 -0.191039113107E+04 0.41252E-04 -0.25300E-04 1832 0.126E-02 0.248E-02
DAV: 5 -0.191039112436E+04 0.67117E-05 -0.32258E-05 1416 0.779E-03
559 T= 3003. E= -.17857886E+04 F= -.19103911E+04 E0= -.19103809E+04 EK= 0.12460E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191018622462E+04 0.20491E+00 -0.27091E-04 2278 0.505E-01 0.746E-02
DAV: 2 -0.191018667188E+04 -0.44726E-03 -0.34104E-03 1920 0.564E-02 0.191E-01
DAV: 3 -0.191018628904E+04 0.38284E-03 -0.10639E-03 2000 0.313E-02 0.719E-02
DAV: 4 -0.191018625971E+04 0.29331E-04 -0.12726E-04 1816 0.158E-02 0.307E-02
DAV: 5 -0.191018625239E+04 0.73217E-05 -0.66919E-05 1672 0.817E-03
560 T= 2998. E= -.17857889E+04 F= -.19101863E+04 E0= -.19101763E+04 EK= 0.12440E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.191001402283E+04 0.17224E+00 -0.25366E-04 2638 0.505E-01 0.783E-02
DAV: 2 -0.191001469110E+04 -0.66827E-03 -0.36667E-03 1936 0.579E-02 0.232E-01
DAV: 3 -0.191001411086E+04 0.58025E-03 -0.10671E-03 1982 0.312E-02 0.749E-02
DAV: 4 -0.191001407096E+04 0.39895E-04 -0.13427E-04 1832 0.155E-02 0.330E-02
DAV: 5 -0.191001406588E+04 0.50823E-05 -0.56776E-05 1536 0.729E-03
561 T= 2994. E= -.17857893E+04 F= -.19100141E+04 E0= -.19100044E+04 EK= 0.12422E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190986861847E+04 0.14545E+00 -0.29440E-04 2606 0.505E-01 0.863E-02
DAV: 2 -0.190986884170E+04 -0.22323E-03 -0.37212E-03 1912 0.648E-02 0.113E-01
DAV: 3 -0.190986878187E+04 0.59832E-04 -0.99779E-04 1998 0.298E-02 0.110E-01
DAV: 4 -0.190986864663E+04 0.13524E-03 -0.16045E-04 1912 0.173E-02 0.293E-02
DAV: 5 -0.190986864486E+04 0.17765E-05 -0.54323E-05 1704 0.856E-03
562 T= 2990. E= -.17857897E+04 F= -.19098686E+04 E0= -.19098592E+04 EK= 0.12408E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190974296729E+04 0.12568E+00 -0.19420E-04 2662 0.505E-01 0.840E-02
DAV: 2 -0.190974325808E+04 -0.29079E-03 -0.31572E-03 1920 0.646E-02 0.140E-01
DAV: 3 -0.190974310122E+04 0.15686E-03 -0.88855E-04 1936 0.288E-02 0.884E-02
DAV: 4 -0.190974300790E+04 0.93315E-04 -0.22463E-04 1904 0.159E-02 0.280E-02
DAV: 5 -0.190974300398E+04 0.39215E-05 -0.37079E-05 1512 0.768E-03
563 T= 2987. E= -.17857902E+04 F= -.19097430E+04 E0= -.19097339E+04 EK= 0.12395E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190962966608E+04 0.11334E+00 -0.16291E-04 2352 0.507E-01 0.798E-02
DAV: 2 -0.190963013527E+04 -0.46918E-03 -0.29786E-03 1928 0.600E-02 0.184E-01
DAV: 3 -0.190962976054E+04 0.37473E-03 -0.75937E-04 2008 0.283E-02 0.740E-02
DAV: 4 -0.190962970189E+04 0.58652E-04 -0.10483E-04 1816 0.158E-02 0.315E-02
DAV: 5 -0.190962969607E+04 0.58138E-05 -0.56244E-05 1448 0.759E-03
564 T= 2985. E= -.17857906E+04 F= -.19096297E+04 E0= -.19096208E+04 EK= 0.12384E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190952123874E+04 0.10846E+00 -0.23268E-04 2406 0.509E-01 0.825E-02
DAV: 2 -0.190952167010E+04 -0.43136E-03 -0.37782E-03 1936 0.627E-02 0.189E-01
DAV: 3 -0.190952132432E+04 0.34578E-03 -0.12399E-03 2038 0.341E-02 0.814E-02
DAV: 4 -0.190952126932E+04 0.55001E-04 -0.12735E-04 1832 0.169E-02 0.296E-02
DAV: 5 -0.190952126541E+04 0.39127E-05 -0.50882E-05 1670 0.787E-03
565 T= 2982. E= -.17857910E+04 F= -.19095213E+04 E0= -.19095127E+04 EK= 0.12373E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190941070481E+04 0.11056E+00 -0.39307E-04 2672 0.509E-01 0.792E-02
DAV: 2 -0.190941101227E+04 -0.30746E-03 -0.29755E-03 1928 0.588E-02 0.143E-01
DAV: 3 -0.190941084177E+04 0.17051E-03 -0.64347E-04 2000 0.277E-02 0.937E-02
DAV: 4 -0.190941074010E+04 0.10167E-03 -0.10454E-04 1856 0.159E-02 0.277E-02
DAV: 5 -0.190941073608E+04 0.40178E-05 -0.48495E-05 1624 0.773E-03
566 T= 2979. E= -.17857914E+04 F= -.19094107E+04 E0= -.19094023E+04 EK= 0.12362E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190929187519E+04 0.11886E+00 -0.31927E-04 2664 0.509E-01 0.719E-02
DAV: 2 -0.190929207900E+04 -0.20381E-03 -0.33016E-03 1936 0.568E-02 0.110E-01
DAV: 3 -0.190929198364E+04 0.95365E-04 -0.13627E-03 1976 0.289E-02 0.821E-02
DAV: 4 -0.190929190566E+04 0.77976E-04 -0.12292E-04 1864 0.150E-02 0.279E-02
DAV: 5 -0.190929190158E+04 0.40803E-05 -0.52202E-05 1392 0.736E-03
567 T= 2976. E= -.17857917E+04 F= -.19092919E+04 E0= -.19092838E+04 EK= 0.12350E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190915961950E+04 0.13229E+00 -0.15440E-04 1926 0.508E-01 0.704E-02
DAV: 2 -0.190915987725E+04 -0.25775E-03 -0.27490E-03 1928 0.550E-02 0.128E-01
DAV: 3 -0.190915973577E+04 0.14148E-03 -0.69704E-04 2012 0.266E-02 0.827E-02
DAV: 4 -0.190915965599E+04 0.79774E-04 -0.92213E-05 1816 0.148E-02 0.241E-02
DAV: 5 -0.190915965363E+04 0.23616E-05 -0.40517E-05 1496 0.729E-03
568 T= 2973. E= -.17857919E+04 F= -.19091597E+04 E0= -.19091517E+04 EK= 0.12337E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190901000070E+04 0.14966E+00 -0.31006E-04 2678 0.509E-01 0.692E-02
DAV: 2 -0.190901038994E+04 -0.38925E-03 -0.40630E-03 1936 0.567E-02 0.158E-01
DAV: 3 -0.190901009747E+04 0.29247E-03 -0.16847E-03 1976 0.293E-02 0.641E-02
DAV: 4 -0.190901006190E+04 0.35574E-04 -0.10414E-04 1840 0.132E-02 0.330E-02
DAV: 5 -0.190901005189E+04 0.10003E-04 -0.43287E-05 1144 0.687E-03 0.200E-02
DAV: 6 -0.190901004280E+04 0.90895E-05 -0.32769E-05 1288 0.736E-03
569 T= 2970. E= -.17857920E+04 F= -.19090100E+04 E0= -.19090024E+04 EK= 0.12322E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190884019499E+04 0.16986E+00 -0.51030E-04 2886 0.510E-01 0.680E-02
DAV: 2 -0.190884079881E+04 -0.60382E-03 -0.43585E-03 1936 0.580E-02 0.196E-01
DAV: 3 -0.190884029669E+04 0.50212E-03 -0.19617E-03 1968 0.314E-02 0.525E-02
DAV: 4 -0.190884028256E+04 0.14131E-04 -0.12007E-04 1824 0.120E-02 0.304E-02
DAV: 5 -0.190884027871E+04 0.38495E-05 -0.21717E-05 1072 0.532E-03
570 T= 2966. E= -.17857921E+04 F= -.19088403E+04 E0= -.19088328E+04 EK= 0.12305E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190864856316E+04 0.19172E+00 -0.49045E-04 2872 0.514E-01 0.865E-02
DAV: 2 -0.190864939189E+04 -0.82873E-03 -0.39612E-03 1936 0.739E-02 0.254E-01
DAV: 3 -0.190864868129E+04 0.71060E-03 -0.15414E-03 1976 0.410E-02 0.769E-02
DAV: 4 -0.190864868537E+04 -0.40743E-05 -0.23797E-04 1856 0.168E-02 0.410E-02
DAV: 5 -0.190864867968E+04 0.56847E-05 -0.35410E-05 1496 0.688E-03
571 T= 2961. E= -.17857920E+04 F= -.19086487E+04 E0= -.19086414E+04 EK= 0.12286E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190843449312E+04 0.21419E+00 -0.55842E-04 2870 0.512E-01 0.121E-01
DAV: 2 -0.190843506891E+04 -0.57579E-03 -0.64787E-03 1904 0.937E-02 0.204E-01
DAV: 3 -0.190843475790E+04 0.31101E-03 -0.16044E-03 2014 0.475E-02 0.141E-01
DAV: 4 -0.190843455495E+04 0.20294E-03 -0.46244E-04 1976 0.238E-02 0.429E-02
DAV: 5 -0.190843454717E+04 0.77839E-05 -0.14955E-04 1800 0.120E-02 0.245E-02
DAV: 6 -0.190843454000E+04 0.71709E-05 -0.34879E-05 1120 0.669E-03
572 T= 2956. E= -.17857920E+04 F= -.19084345E+04 E0= -.19084274E+04 EK= 0.12264E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190819787827E+04 0.23667E+00 -0.87229E-04 2926 0.509E-01 0.990E-02
DAV: 2 -0.190819828498E+04 -0.40671E-03 -0.59235E-03 1896 0.826E-02 0.139E-01
DAV: 3 -0.190819817159E+04 0.11339E-03 -0.13914E-03 2000 0.381E-02 0.115E-01
DAV: 4 -0.190819803588E+04 0.13571E-03 -0.26664E-04 1952 0.193E-02 0.386E-02
DAV: 5 -0.190819802981E+04 0.60752E-05 -0.10214E-04 1672 0.952E-03 0.223E-02
DAV: 6 -0.190819802342E+04 0.63850E-05 -0.22546E-05 984 0.606E-03
573 T= 2950. E= -.17857919E+04 F= -.19081980E+04 E0= -.19081910E+04 EK= 0.12241E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190793981422E+04 0.25822E+00 -0.63810E-04 2948 0.508E-01 0.604E-02
DAV: 2 -0.190794011942E+04 -0.30520E-03 -0.41350E-03 1904 0.623E-02 0.909E-02
DAV: 3 -0.190794003870E+04 0.80718E-04 -0.80167E-04 1976 0.240E-02 0.638E-02
DAV: 4 -0.190793999814E+04 0.40566E-04 -0.14859E-04 1816 0.122E-02 0.320E-02
DAV: 5 -0.190793999047E+04 0.76640E-05 -0.40367E-05 1392 0.751E-03
574 T= 2944. E= -.17857918E+04 F= -.19079400E+04 E0= -.19079333E+04 EK= 0.12215E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190766155795E+04 0.27844E+00 -0.47946E-04 2916 0.509E-01 0.676E-02
DAV: 2 -0.190766201730E+04 -0.45935E-03 -0.38219E-03 1912 0.641E-02 0.149E-01
DAV: 3 -0.190766178643E+04 0.23087E-03 -0.43075E-04 1992 0.251E-02 0.757E-02
DAV: 4 -0.190766172781E+04 0.58615E-04 -0.12182E-04 1816 0.151E-02 0.348E-02
DAV: 5 -0.190766172311E+04 0.47017E-05 -0.52664E-05 1336 0.756E-03
575 T= 2937. E= -.17857916E+04 F= -.19076617E+04 E0= -.19076552E+04 EK= 0.12187E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190736463560E+04 0.29709E+00 -0.57415E-04 2868 0.509E-01 0.820E-02
DAV: 2 -0.190736530498E+04 -0.66938E-03 -0.54274E-03 1896 0.787E-02 0.195E-01
DAV: 3 -0.190736493164E+04 0.37334E-03 -0.89594E-04 1998 0.353E-02 0.916E-02
DAV: 4 -0.190736486771E+04 0.63936E-04 -0.21089E-04 1848 0.186E-02 0.426E-02
DAV: 5 -0.190736486340E+04 0.43095E-05 -0.51837E-05 1552 0.802E-03
576 T= 2930. E= -.17857914E+04 F= -.19073649E+04 E0= -.19073584E+04 EK= 0.12157E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190705104617E+04 0.31382E+00 -0.10597E-03 2904 0.508E-01 0.107E-01
DAV: 2 -0.190705166287E+04 -0.61670E-03 -0.78533E-03 1896 0.951E-02 0.163E-01
DAV: 3 -0.190705148742E+04 0.17544E-03 -0.13764E-03 1968 0.408E-02 0.130E-01
DAV: 4 -0.190705131073E+04 0.17669E-03 -0.29803E-04 1920 0.218E-02 0.449E-02
DAV: 5 -0.190705130505E+04 0.56874E-05 -0.10620E-04 1720 0.101E-02 0.303E-02
DAV: 6 -0.190705129038E+04 0.14662E-04 -0.37060E-05 1456 0.850E-03 0.196E-02
DAV: 7 -0.190705128144E+04 0.89392E-05 -0.32665E-05 1536 0.906E-03
577 T= 2922. E= -.17857913E+04 F= -.19070513E+04 E0= -.19070448E+04 EK= 0.12126E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190672280880E+04 0.32848E+00 -0.30114E-04 2912 0.503E-01 0.730E-02
DAV: 2 -0.190672317157E+04 -0.36277E-03 -0.46487E-03 1904 0.691E-02 0.115E-01
DAV: 3 -0.190672304053E+04 0.13105E-03 -0.95734E-04 2064 0.301E-02 0.766E-02
DAV: 4 -0.190672299362E+04 0.46903E-04 -0.17009E-04 1864 0.150E-02 0.356E-02
DAV: 5 -0.190672299070E+04 0.29251E-05 -0.37082E-05 1192 0.676E-03
578 T= 2915. E= -.17857912E+04 F= -.19067230E+04 E0= -.19067163E+04 EK= 0.12093E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190638184820E+04 0.34115E+00 -0.18684E-04 2838 0.502E-01 0.727E-02
DAV: 2 -0.190638215495E+04 -0.30675E-03 -0.44393E-03 1888 0.685E-02 0.109E-01
DAV: 3 -0.190638205139E+04 0.10356E-03 -0.97078E-04 2046 0.297E-02 0.801E-02
DAV: 4 -0.190638199222E+04 0.59169E-04 -0.16878E-04 1880 0.149E-02 0.356E-02
DAV: 5 -0.190638198740E+04 0.48162E-05 -0.45470E-05 1262 0.720E-03
579 T= 2906. E= -.17857910E+04 F= -.19063820E+04 E0= -.19063750E+04 EK= 0.12059E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190603002679E+04 0.35197E+00 -0.66960E-04 2918 0.501E-01 0.960E-02
DAV: 2 -0.190603043814E+04 -0.41135E-03 -0.61152E-03 1896 0.828E-02 0.121E-01
DAV: 3 -0.190603036612E+04 0.72015E-04 -0.93006E-04 1960 0.325E-02 0.110E-01
DAV: 4 -0.190603022579E+04 0.14033E-03 -0.21066E-04 1904 0.177E-02 0.368E-02
DAV: 5 -0.190603022138E+04 0.44170E-05 -0.61879E-05 1576 0.816E-03
580 T= 2898. E= -.17857909E+04 F= -.19060302E+04 E0= -.19060231E+04 EK= 0.12024E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190566944958E+04 0.36078E+00 -0.58260E-04 2896 0.498E-01 0.113E-01
DAV: 2 -0.190566977390E+04 -0.32433E-03 -0.62556E-03 1888 0.924E-02 0.117E-01
DAV: 3 -0.190566979069E+04 -0.16789E-04 -0.77400E-04 2096 0.405E-02 0.136E-01
DAV: 4 -0.190566958578E+04 0.20491E-03 -0.34410E-04 1968 0.205E-02 0.350E-02
DAV: 5 -0.190566958822E+04 -0.24441E-05 -0.68341E-05 1736 0.954E-03
581 T= 2889. E= -.17857907E+04 F= -.19056696E+04 E0= -.19056625E+04 EK= 0.11988E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190530186121E+04 0.36772E+00 -0.39920E-04 2854 0.497E-01 0.110E-01
DAV: 2 -0.190530209814E+04 -0.23693E-03 -0.50146E-03 1896 0.843E-02 0.119E-01
DAV: 3 -0.190530211094E+04 -0.12803E-04 -0.92409E-04 2054 0.354E-02 0.126E-01
DAV: 4 -0.190530190294E+04 0.20800E-03 -0.27888E-04 1976 0.189E-02 0.356E-02
DAV: 5 -0.190530189698E+04 0.59586E-05 -0.94304E-05 1688 0.936E-03
582 T= 2880. E= -.17857906E+04 F= -.19053019E+04 E0= -.19052950E+04 EK= 0.11951E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190492875108E+04 0.37315E+00 -0.53238E-04 2838 0.495E-01 0.960E-02
DAV: 2 -0.190492895164E+04 -0.20056E-03 -0.38824E-03 1904 0.726E-02 0.994E-02
DAV: 3 -0.190492896783E+04 -0.16194E-04 -0.74113E-04 2040 0.324E-02 0.111E-01
DAV: 4 -0.190492881484E+04 0.15299E-03 -0.25991E-04 1944 0.170E-02 0.301E-02
DAV: 5 -0.190492881137E+04 0.34754E-05 -0.88889E-05 1640 0.884E-03
583 T= 2871. E= -.17857905E+04 F= -.19049288E+04 E0= -.19049224E+04 EK= 0.11914E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190455182074E+04 0.37699E+00 -0.62361E-04 2848 0.493E-01 0.796E-02
DAV: 2 -0.190455207128E+04 -0.25053E-03 -0.31711E-03 1920 0.638E-02 0.119E-01
DAV: 3 -0.190455196022E+04 0.11105E-03 -0.83074E-04 2144 0.319E-02 0.791E-02
DAV: 4 -0.190455190506E+04 0.55161E-04 -0.22406E-04 1896 0.147E-02 0.288E-02
DAV: 5 -0.190455190027E+04 0.47910E-05 -0.45119E-05 1320 0.711E-03
584 T= 2862. E= -.17857904E+04 F= -.19045519E+04 E0= -.19045458E+04 EK= 0.11876E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190417254056E+04 0.37936E+00 -0.52882E-04 2734 0.490E-01 0.752E-02
DAV: 2 -0.190417279545E+04 -0.25489E-03 -0.32217E-03 1928 0.600E-02 0.124E-01
DAV: 3 -0.190417266315E+04 0.13230E-03 -0.96600E-04 2012 0.300E-02 0.804E-02
DAV: 4 -0.190417259515E+04 0.68002E-04 -0.16673E-04 1888 0.140E-02 0.302E-02
DAV: 5 -0.190417258573E+04 0.94205E-05 -0.62003E-05 1272 0.764E-03
585 T= 2853. E= -.17857903E+04 F= -.19041726E+04 E0= -.19041665E+04 EK= 0.11838E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190379203521E+04 0.38056E+00 -0.65670E-04 2796 0.488E-01 0.722E-02
DAV: 2 -0.190379231888E+04 -0.28368E-03 -0.31336E-03 1944 0.605E-02 0.112E-01
DAV: 3 -0.190379221230E+04 0.10659E-03 -0.59670E-04 2000 0.282E-02 0.836E-02
DAV: 4 -0.190379213064E+04 0.81659E-04 -0.18801E-04 1896 0.142E-02 0.280E-02
DAV: 5 -0.190379212646E+04 0.41794E-05 -0.44788E-05 1272 0.700E-03
586 T= 2844. E= -.17857902E+04 F= -.19037921E+04 E0= -.19037858E+04 EK= 0.11800E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190341165333E+04 0.38048E+00 -0.59652E-04 2860 0.488E-01 0.782E-02
DAV: 2 -0.190341186316E+04 -0.20983E-03 -0.32756E-03 1928 0.643E-02 0.876E-02
DAV: 3 -0.190341180332E+04 0.59837E-04 -0.31373E-04 2038 0.293E-02 0.743E-02
DAV: 4 -0.190341174808E+04 0.55242E-04 -0.17493E-04 1880 0.137E-02 0.281E-02
DAV: 5 -0.190341174419E+04 0.38868E-05 -0.28825E-05 1248 0.675E-03
587 T= 2835. E= -.17857902E+04 F= -.19034117E+04 E0= -.19034051E+04 EK= 0.11762E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190303245990E+04 0.37929E+00 -0.70826E-04 2864 0.486E-01 0.920E-02
DAV: 2 -0.190303300289E+04 -0.54299E-03 -0.45367E-03 1920 0.703E-02 0.198E-01
DAV: 3 -0.190303258493E+04 0.41796E-03 -0.11373E-03 2000 0.328E-02 0.865E-02
DAV: 4 -0.190303249444E+04 0.90486E-04 -0.21978E-04 1848 0.176E-02 0.388E-02
DAV: 5 -0.190303248065E+04 0.13793E-04 -0.76797E-05 1672 0.927E-03 0.224E-02
DAV: 6 -0.190303246565E+04 0.14996E-04 -0.20565E-05 1288 0.814E-03 0.180E-02
DAV: 7 -0.190303244064E+04 0.25012E-04 -0.56265E-05 1712 0.150E-02 0.159E-02
DAV: 8 -0.190303243312E+04 0.75236E-05 -0.74017E-05 1800 0.116E-02
588 T= 2826. E= -.17857901E+04 F= -.19030324E+04 E0= -.19030262E+04 EK= 0.11724E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190265519213E+04 0.37725E+00 -0.51395E-04 2510 0.488E-01 0.629E-02
DAV: 2 -0.190265576734E+04 -0.57521E-03 -0.22672E-03 2112 0.402E-02 0.200E-01
DAV: 3 -0.190265522910E+04 0.53824E-03 -0.63066E-04 2064 0.222E-02 0.394E-02
DAV: 4 -0.190265521771E+04 0.11390E-04 -0.88313E-05 1728 0.102E-02 0.263E-02
DAV: 5 -0.190265520758E+04 0.10124E-04 -0.28600E-05 1184 0.811E-03 0.223E-02
DAV: 6 -0.190265518345E+04 0.24136E-04 -0.42754E-05 1672 0.143E-02 0.146E-02
DAV: 7 -0.190265517573E+04 0.77162E-05 -0.26211E-05 1344 0.764E-03
589 T= 2817. E= -.17857900E+04 F= -.19026552E+04 E0= -.19026496E+04 EK= 0.11687E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190228080240E+04 0.37438E+00 -0.47498E-04 2750 0.482E-01 0.504E-02
DAV: 2 -0.190228088010E+04 -0.77702E-04 -0.15594E-03 1976 0.399E-02 0.650E-02
DAV: 3 -0.190228086087E+04 0.19232E-04 -0.30077E-04 1950 0.166E-02 0.473E-02
DAV: 4 -0.190228083510E+04 0.25767E-04 -0.37667E-05 1368 0.738E-03 0.230E-02
DAV: 5 -0.190228083318E+04 0.19206E-05 -0.42766E-05 1152 0.636E-03
590 T= 2808. E= -.17857900E+04 F= -.19022808E+04 E0= -.19022756E+04 EK= 0.11649E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190191005212E+04 0.37078E+00 -0.38443E-04 2510 0.478E-01 0.517E-02
DAV: 2 -0.190191028510E+04 -0.23299E-03 -0.21130E-03 2048 0.425E-02 0.121E-01
DAV: 3 -0.190191011392E+04 0.17118E-03 -0.72945E-04 2070 0.237E-02 0.412E-02
DAV: 4 -0.190191011413E+04 -0.20568E-06 -0.81791E-05 1624 0.953E-03
591 T= 2799. E= -.17857900E+04 F= -.19019101E+04 E0= -.19019051E+04 EK= 0.11612E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190154363919E+04 0.36647E+00 -0.61442E-04 2608 0.476E-01 0.655E-02
DAV: 2 -0.190154386247E+04 -0.22328E-03 -0.25144E-03 1944 0.487E-02 0.101E-01
DAV: 3 -0.190154374592E+04 0.11655E-03 -0.75279E-04 2040 0.244E-02 0.513E-02
DAV: 4 -0.190154372351E+04 0.22411E-04 -0.12002E-04 1800 0.121E-02 0.207E-02
DAV: 5 -0.190154372110E+04 0.24090E-05 -0.59904E-05 1224 0.700E-03
592 T= 2790. E= -.17857899E+04 F= -.19015437E+04 E0= -.19015385E+04 EK= 0.11575E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190118222006E+04 0.36150E+00 -0.43182E-04 2702 0.476E-01 0.644E-02
DAV: 2 -0.190118246866E+04 -0.24860E-03 -0.20730E-03 1936 0.491E-02 0.119E-01
DAV: 3 -0.190118232862E+04 0.14004E-03 -0.43034E-04 1992 0.238E-02 0.641E-02
DAV: 4 -0.190118228625E+04 0.42374E-04 -0.13524E-04 1824 0.131E-02 0.213E-02
DAV: 5 -0.190118228129E+04 0.49543E-05 -0.44446E-05 1616 0.831E-03
593 T= 2781. E= -.17857899E+04 F= -.19011823E+04 E0= -.19011769E+04 EK= 0.11539E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190082622763E+04 0.35606E+00 -0.46466E-04 2734 0.474E-01 0.476E-02
DAV: 2 -0.190082659260E+04 -0.36498E-03 -0.20982E-03 1952 0.428E-02 0.149E-01
DAV: 3 -0.190082633057E+04 0.26203E-03 -0.36397E-04 1960 0.193E-02 0.468E-02
DAV: 4 -0.190082631178E+04 0.18792E-04 -0.67099E-05 1656 0.966E-03 0.269E-02
DAV: 5 -0.190082630710E+04 0.46757E-05 -0.18228E-05 1080 0.526E-03
594 T= 2772. E= -.17857898E+04 F= -.19008263E+04 E0= -.19008210E+04 EK= 0.11504E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190047608482E+04 0.35023E+00 -0.82603E-04 2942 0.473E-01 0.557E-02
DAV: 2 -0.190047644174E+04 -0.35693E-03 -0.28971E-03 1928 0.532E-02 0.129E-01
DAV: 3 -0.190047626755E+04 0.17419E-03 -0.42963E-04 1992 0.241E-02 0.638E-02
DAV: 4 -0.190047623613E+04 0.31418E-04 -0.11181E-04 1800 0.118E-02 0.318E-02
DAV: 5 -0.190047623160E+04 0.45261E-05 -0.22055E-05 1112 0.585E-03
595 T= 2764. E= -.17857898E+04 F= -.19004762E+04 E0= -.19004713E+04 EK= 0.11469E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.190013231890E+04 0.34392E+00 -0.11386E-03 2974 0.474E-01 0.852E-02
DAV: 2 -0.190013279867E+04 -0.47977E-03 -0.55451E-03 1904 0.739E-02 0.132E-01
DAV: 3 -0.190013258863E+04 0.21003E-03 -0.11660E-03 1992 0.326E-02 0.863E-02
DAV: 4 -0.190013250829E+04 0.80340E-04 -0.23977E-04 1888 0.161E-02 0.374E-02
DAV: 5 -0.190013250333E+04 0.49680E-05 -0.49358E-05 1456 0.739E-03
596 T= 2756. E= -.17857898E+04 F= -.19001325E+04 E0= -.19001280E+04 EK= 0.11434E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189979541720E+04 0.33709E+00 -0.85081E-04 2918 0.471E-01 0.113E-01
DAV: 2 -0.189979571427E+04 -0.29707E-03 -0.62286E-03 1904 0.892E-02 0.115E-01
DAV: 3 -0.189979562057E+04 0.93703E-04 -0.10903E-03 2030 0.378E-02 0.102E-01
DAV: 4 -0.189979550223E+04 0.11833E-03 -0.32649E-04 1952 0.187E-02 0.396E-02
DAV: 5 -0.189979549007E+04 0.12163E-04 -0.89044E-05 1752 0.983E-03 0.229E-02
DAV: 6 -0.189979548010E+04 0.99713E-05 -0.36838E-05 1152 0.711E-03
597 T= 2748. E= -.17857898E+04 F= -.18997955E+04 E0= -.18997911E+04 EK= 0.11401E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189946528323E+04 0.33021E+00 -0.82011E-04 2966 0.467E-01 0.869E-02
DAV: 2 -0.189946553797E+04 -0.25474E-03 -0.46536E-03 1896 0.726E-02 0.891E-02
DAV: 3 -0.189946548933E+04 0.48640E-04 -0.80220E-04 1992 0.297E-02 0.813E-02
DAV: 4 -0.189946541888E+04 0.70451E-04 -0.17523E-04 1880 0.152E-02 0.259E-02
DAV: 5 -0.189946541708E+04 0.17962E-05 -0.34278E-05 1448 0.737E-03
598 T= 2740. E= -.17857898E+04 F= -.18994654E+04 E0= -.18994610E+04 EK= 0.11368E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189914251211E+04 0.32291E+00 -0.56956E-04 2870 0.468E-01 0.773E-02
DAV: 2 -0.189914307928E+04 -0.56716E-03 -0.40484E-03 1920 0.658E-02 0.204E-01
DAV: 3 -0.189914262597E+04 0.45331E-03 -0.12319E-03 2032 0.328E-02 0.633E-02
DAV: 4 -0.189914260984E+04 0.16126E-04 -0.13217E-04 1800 0.158E-02 0.267E-02
DAV: 5 -0.189914260626E+04 0.35792E-05 -0.48146E-05 1576 0.810E-03
599 T= 2732. E= -.17857898E+04 F= -.18991426E+04 E0= -.18991379E+04 EK= 0.11335E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189882717163E+04 0.31544E+00 -0.45676E-04 2870 0.466E-01 0.810E-02
DAV: 2 -0.189882780438E+04 -0.63274E-03 -0.37445E-03 1944 0.616E-02 0.209E-01
DAV: 3 -0.189882725460E+04 0.54977E-03 -0.10682E-03 1998 0.304E-02 0.628E-02
DAV: 4 -0.189882722004E+04 0.34568E-04 -0.13222E-04 1832 0.159E-02 0.311E-02
DAV: 5 -0.189882721311E+04 0.69277E-05 -0.41822E-05 1464 0.791E-03
600 T= 2724. E= -.17857898E+04 F= -.18988272E+04 E0= -.18988224E+04 EK= 0.11304E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189851915637E+04 0.30806E+00 -0.76307E-04 2910 0.464E-01 0.729E-02
DAV: 2 -0.189851952370E+04 -0.36733E-03 -0.41796E-03 1928 0.631E-02 0.133E-01
DAV: 3 -0.189851934716E+04 0.17654E-03 -0.10029E-03 2032 0.283E-02 0.826E-02
DAV: 4 -0.189851927643E+04 0.70728E-04 -0.14238E-04 1912 0.150E-02 0.316E-02
DAV: 5 -0.189851927507E+04 0.13534E-05 -0.29642E-05 1232 0.633E-03
601 T= 2717. E= -.17857897E+04 F= -.18985193E+04 E0= -.18985145E+04 EK= 0.11273E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189821875682E+04 0.30052E+00 -0.88954E-04 2878 0.467E-01 0.909E-02
DAV: 2 -0.189821924831E+04 -0.49149E-03 -0.61815E-03 1904 0.755E-02 0.161E-01
DAV: 3 -0.189821896475E+04 0.28357E-03 -0.16313E-03 1998 0.360E-02 0.876E-02
DAV: 4 -0.189821889452E+04 0.70227E-04 -0.19162E-04 1904 0.179E-02 0.340E-02
DAV: 5 -0.189821889257E+04 0.19544E-05 -0.47121E-05 1600 0.771E-03
602 T= 2710. E= -.17857897E+04 F= -.18982189E+04 E0= -.18982145E+04 EK= 0.11243E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189792601738E+04 0.29288E+00 -0.95322E-04 2910 0.464E-01 0.114E-01
DAV: 2 -0.189792644362E+04 -0.42624E-03 -0.71247E-03 1920 0.877E-02 0.176E-01
DAV: 3 -0.189792620856E+04 0.23506E-03 -0.25505E-03 2152 0.440E-02 0.122E-01
DAV: 4 -0.189792606100E+04 0.14756E-03 -0.34077E-04 1952 0.228E-02 0.374E-02
DAV: 5 -0.189792605553E+04 0.54750E-05 -0.10745E-04 1832 0.113E-02 0.230E-02
DAV: 6 -0.189792604108E+04 0.14448E-04 -0.39509E-05 1344 0.885E-03 0.193E-02
DAV: 7 -0.189792601697E+04 0.24106E-04 -0.46826E-05 1712 0.154E-02 0.166E-02
DAV: 8 -0.189792601108E+04 0.58889E-05 -0.57213E-05 1808 0.116E-02
603 T= 2703. E= -.17857898E+04 F= -.18979260E+04 E0= -.18979215E+04 EK= 0.11214E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189764057160E+04 0.28545E+00 -0.49740E-04 2606 0.460E-01 0.584E-02
DAV: 2 -0.189764085351E+04 -0.28190E-03 -0.22416E-03 2008 0.428E-02 0.137E-01
DAV: 3 -0.189764064093E+04 0.21258E-03 -0.61208E-04 2088 0.227E-02 0.510E-02
DAV: 4 -0.189764061859E+04 0.22341E-04 -0.70328E-05 1784 0.117E-02 0.234E-02
DAV: 5 -0.189764060945E+04 0.91420E-05 -0.34302E-05 1432 0.874E-03
604 T= 2696. E= -.17857898E+04 F= -.18976406E+04 E0= -.18976360E+04 EK= 0.11185E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189736263621E+04 0.27798E+00 -0.36359E-04 2614 0.460E-01 0.757E-02
DAV: 2 -0.189736313252E+04 -0.49630E-03 -0.32162E-03 2096 0.530E-02 0.219E-01
DAV: 3 -0.189736255329E+04 0.57923E-03 -0.13389E-03 2086 0.328E-02 0.459E-02
DAV: 4 -0.189736256810E+04 -0.14811E-04 -0.12003E-04 1880 0.128E-02 0.292E-02
DAV: 5 -0.189736255659E+04 0.11509E-04 -0.55183E-05 1488 0.834E-03 0.331E-02
DAV: 6 -0.189736253021E+04 0.26380E-04 -0.40969E-05 1304 0.865E-03 0.166E-02
DAV: 7 -0.189736251414E+04 0.16076E-04 -0.19972E-05 1248 0.827E-03 0.966E-03
DAV: 8 -0.189736250532E+04 0.88202E-05 -0.40543E-05 1256 0.955E-03
605 T= 2689. E= -.17857897E+04 F= -.18973625E+04 E0= -.18973580E+04 EK= 0.11157E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189709170723E+04 0.27081E+00 -0.35989E-04 2342 0.465E-01 0.672E-02
DAV: 2 -0.189709218003E+04 -0.47280E-03 -0.22615E-03 2168 0.397E-02 0.207E-01
DAV: 3 -0.189709165144E+04 0.52858E-03 -0.86371E-04 2238 0.266E-02 0.356E-02
DAV: 4 -0.189709165974E+04 -0.82920E-05 -0.74915E-05 1792 0.979E-03
606 T= 2682. E= -.17857898E+04 F= -.18970917E+04 E0= -.18970879E+04 EK= 0.11130E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189682793917E+04 0.26371E+00 -0.23399E-04 2622 0.460E-01 0.733E-02
DAV: 2 -0.189682869643E+04 -0.75726E-03 -0.46569E-03 2032 0.555E-02 0.240E-01
DAV: 3 -0.189682785151E+04 0.84492E-03 -0.19889E-03 2104 0.348E-02 0.524E-02
DAV: 4 -0.189682784005E+04 0.11456E-04 -0.23822E-04 1832 0.131E-02 0.335E-02
DAV: 5 -0.189682781032E+04 0.29731E-04 -0.54755E-05 1640 0.103E-02 0.221E-02
DAV: 6 -0.189682777690E+04 0.33417E-04 -0.46484E-05 1632 0.164E-02 0.340E-02
DAV: 7 -0.189682774230E+04 0.34598E-04 -0.82877E-05 1744 0.128E-02 0.152E-02
DAV: 8 -0.189682772793E+04 0.14369E-04 -0.25387E-05 1344 0.110E-02 0.120E-02
DAV: 9 -0.189682771791E+04 0.10026E-04 -0.23611E-05 1408 0.116E-02 0.762E-03
DAV: 10 -0.189682771726E+04 0.64961E-06 -0.23314E-05 1384 0.724E-03
607 T= 2676. E= -.17857898E+04 F= -.18968277E+04 E0= -.18968239E+04 EK= 0.11104E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189657090558E+04 0.25681E+00 -0.13458E-04 2006 0.461E-01 0.727E-02
DAV: 2 -0.189657153766E+04 -0.63208E-03 -0.35504E-03 2192 0.542E-02 0.246E-01
DAV: 3 -0.189657076688E+04 0.77078E-03 -0.16668E-03 2112 0.340E-02 0.493E-02
DAV: 4 -0.189657076851E+04 -0.16297E-05 -0.28299E-04 1856 0.147E-02 0.343E-02
DAV: 5 -0.189657071646E+04 0.52049E-04 -0.12608E-04 1824 0.150E-02 0.200E-02
DAV: 6 -0.189657065036E+04 0.66098E-04 -0.66471E-05 1928 0.243E-02 0.147E-02
DAV: 7 -0.189657064150E+04 0.88639E-05 -0.89384E-05 1920 0.151E-02
608 T= 2670. E= -.17857898E+04 F= -.18965706E+04 E0= -.18965671E+04 EK= 0.11078E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189632011646E+04 0.25053E+00 0.29280E-05 1614 0.454E-01 0.532E-02
DAV: 2 -0.189632021393E+04 -0.97472E-04 -0.94712E-04 2088 0.299E-02 0.826E-02
DAV: 3 -0.189632015081E+04 0.63124E-04 -0.25484E-04 1942 0.142E-02 0.445E-02
DAV: 4 -0.189632014452E+04 0.62882E-05 -0.57070E-05 1248 0.745E-03
609 T= 2664. E= -.17857898E+04 F= -.18963201E+04 E0= -.18963170E+04 EK= 0.11053E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189607602560E+04 0.24413E+00 -0.53679E-04 2464 0.455E-01 0.868E-02
DAV: 2 -0.189607663733E+04 -0.61173E-03 -0.59424E-03 2104 0.625E-02 0.217E-01
DAV: 3 -0.189607600344E+04 0.63389E-03 -0.27404E-03 2176 0.397E-02 0.533E-02
DAV: 4 -0.189607602721E+04 -0.23774E-04 -0.19672E-04 1856 0.134E-02 0.324E-02
DAV: 5 -0.189607601586E+04 0.11354E-04 -0.64182E-05 1360 0.753E-03 0.174E-02
DAV: 6 -0.189607601651E+04 -0.65037E-06 -0.17973E-05 1024 0.497E-03
610 T= 2658. E= -.17857898E+04 F= -.18960760E+04 E0= -.18960741E+04 EK= 0.11029E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189583802242E+04 0.23799E+00 0.48308E-05 1616 0.458E-01 0.961E-02
DAV: 2 -0.189583871644E+04 -0.69401E-03 -0.64609E-03 2184 0.611E-02 0.229E-01
DAV: 3 -0.189583799335E+04 0.72309E-03 -0.31372E-03 2240 0.401E-02 0.530E-02
DAV: 4 -0.189583802206E+04 -0.28706E-04 -0.24206E-04 1904 0.147E-02 0.382E-02
DAV: 5 -0.189583800525E+04 0.16804E-04 -0.10313E-04 1648 0.993E-03 0.204E-02
DAV: 6 -0.189583800953E+04 -0.42763E-05 -0.38071E-05 1248 0.736E-03
611 T= 2652. E= -.17857898E+04 F= -.18958380E+04 E0= -.18958377E+04 EK= 0.11005E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189560578918E+04 0.23222E+00 0.52114E-04 2430 0.460E-01 0.513E-02
DAV: 2 -0.189560603958E+04 -0.25040E-03 -0.17596E-03 2088 0.330E-02 0.123E-01
DAV: 3 -0.189560583640E+04 0.20318E-03 -0.53023E-04 2016 0.182E-02 0.283E-02
DAV: 4 -0.189560583382E+04 0.25819E-05 -0.59378E-05 1608 0.845E-03
612 T= 2647. E= -.17857898E+04 F= -.18956058E+04 E0= -.18956082E+04 EK= 0.10982E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189537939191E+04 0.22644E+00 -0.32779E-04 2412 0.464E-01 0.600E-02
DAV: 2 -0.189537931751E+04 0.74404E-04 -0.19977E-03 2048 0.414E-02 0.713E-02
DAV: 3 -0.189537929115E+04 0.26353E-04 -0.60166E-04 1936 0.221E-02 0.760E-02
DAV: 4 -0.189537921209E+04 0.79067E-04 -0.16823E-04 1928 0.151E-02 0.336E-02
DAV: 5 -0.189537918160E+04 0.30487E-04 -0.13154E-04 1664 0.100E-02 0.296E-02
DAV: 6 -0.189537911981E+04 0.61794E-04 -0.60316E-05 1384 0.998E-03 0.245E-02
DAV: 7 -0.189537910421E+04 0.15597E-04 -0.22254E-05 1392 0.473E-03 0.257E-02
DAV: 8 -0.189537911735E+04 -0.13145E-04 -0.28392E-06 944 0.225E-03 0.266E-02
DAV: 9 -0.189537915898E+04 -0.41624E-04 -0.13507E-05 1240 0.659E-03 0.317E-02
DAV: 10 -0.189537926324E+04 -0.10426E-03 -0.15393E-04 2040 0.246E-02 0.367E-02
DAV: 11 -0.189537933230E+04 -0.69060E-04 -0.23618E-04 2088 0.271E-02 0.423E-02
DAV: 12 -0.189537937573E+04 -0.43427E-04 -0.15935E-04 1936 0.200E-02 0.366E-02
DAV: 13 -0.189537938472E+04 -0.89914E-05 -0.42283E-05 1624 0.702E-03
613 T= 2641. E= -.17857898E+04 F= -.18953794E+04 E0= -.18953827E+04 EK= 0.10959E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189515870975E+04 0.22067E+00 0.70228E-04 2012 0.450E-01 0.971E-02
DAV: 2 -0.189515869921E+04 0.10543E-04 -0.87502E-04 2040 0.264E-02 0.864E-02
DAV: 3 -0.189515869613E+04 0.30801E-05 -0.53727E-04 2008 0.216E-02 0.969E-02
DAV: 4 -0.189515856721E+04 0.12892E-03 -0.34958E-04 2208 0.234E-02 0.480E-02
DAV: 5 -0.189515852708E+04 0.40129E-04 -0.29519E-04 1896 0.153E-02 0.326E-02
DAV: 6 -0.189515849571E+04 0.31373E-04 -0.39006E-05 1592 0.970E-03 0.239E-02
DAV: 7 -0.189515847492E+04 0.20791E-04 -0.32260E-05 1304 0.784E-03 0.224E-02
DAV: 8 -0.189515840872E+04 0.66193E-04 -0.35697E-05 1568 0.152E-02 0.160E-02
DAV: 9 -0.189515838190E+04 0.26826E-04 -0.53664E-05 1752 0.911E-03 0.158E-02
DAV: 10 -0.189515837478E+04 0.71188E-05 -0.92125E-06 1072 0.372E-03
614 T= 2636. E= -.17857898E+04 F= -.18951584E+04 E0= -.18951635E+04 EK= 0.10937E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189494252903E+04 0.21585E+00 0.73578E-05 1422 0.451E-01 0.900E-02
DAV: 2 -0.189494227561E+04 0.25342E-03 -0.57188E-04 2248 0.342E-02 0.678E-02
DAV: 3 -0.189494206562E+04 0.20999E-03 -0.35121E-04 2262 0.282E-02 0.101E-01
DAV: 4 -0.189494172393E+04 0.34169E-03 -0.23761E-04 2112 0.250E-02 0.575E-02
DAV: 5 -0.189494178218E+04 -0.58250E-04 -0.82421E-05 1774 0.934E-03 0.585E-02
DAV: 6 -0.189494205216E+04 -0.26998E-03 -0.15300E-05 1808 0.222E-02 0.551E-02
DAV: 7 -0.189494277280E+04 -0.72064E-03 -0.11911E-03 2544 0.859E-02 0.528E-02
DAV: 8 -0.189494302122E+04 -0.24842E-03 -0.13750E-03 1880 0.361E-02 0.954E-02
DAV: 9 -0.189494312527E+04 -0.10405E-03 -0.16438E-04 2288 0.243E-02 0.804E-02
DAV: 10 -0.189494330561E+04 -0.18034E-03 0.81962E-06 2096 0.286E-02 0.867E-02
DAV: 11 -0.189494360705E+04 -0.30144E-03 -0.27195E-04 2208 0.389E-02 0.103E-01
DAV: 12 -0.189494331858E+04 0.28847E-03 -0.29248E-04 2088 0.358E-02 0.111E-01
DAV: 13 -0.189494321687E+04 0.10171E-03 -0.15549E-04 2064 0.166E-02 0.103E-01
DAV: 14 -0.189494318226E+04 0.34609E-04 -0.51207E-05 1712 0.104E-02 0.890E-02
DAV: 15 -0.189494272932E+04 0.45295E-03 -0.80461E-05 2472 0.669E-02 0.652E-02
DAV: 16 -0.189494193617E+04 0.79315E-03 -0.16593E-03 2336 0.835E-02 0.676E-02
DAV: 17 -0.189494176351E+04 0.17266E-03 -0.10274E-03 1888 0.387E-02 0.678E-02
DAV: 18 -0.189494188607E+04 -0.12256E-03 -0.53906E-05 1832 0.110E-02 0.687E-02
DAV: 19 -0.189494186063E+04 0.25439E-04 -0.58110E-06 1008 0.309E-03 0.681E-02
DAV: 20 -0.189494183926E+04 0.21368E-04 0.16714E-07 944 0.186E-03 0.684E-02
DAV: 21 -0.189494183410E+04 0.51628E-05 -0.97154E-07 928 0.113E-03
615 T= 2631. E= -.17857888E+04 F= -.18949418E+04 E0= -.18949525E+04 EK= 0.10915E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189473280637E+04 0.20903E+00 -0.57606E-03 2534 0.494E-01 0.342E-01
DAV: 2 -0.189473340075E+04 -0.59437E-03 -0.90641E-02 2576 0.180E-01 0.329E-01
DAV: 3 -0.189473330644E+04 0.94304E-04 -0.15688E-02 2104 0.105E-01 0.403E-01
DAV: 4 -0.189473140200E+04 0.19044E-02 -0.71340E-03 2272 0.692E-02 0.185E-01
DAV: 5 -0.189473101154E+04 0.39046E-03 -0.28879E-03 2152 0.469E-02 0.156E-01
DAV: 6 -0.189473047486E+04 0.53668E-03 -0.17647E-03 1952 0.313E-02 0.762E-02
DAV: 7 -0.189473039773E+04 0.77133E-04 -0.26460E-04 1864 0.158E-02 0.592E-02
DAV: 8 -0.189473035593E+04 0.41800E-04 -0.81393E-05 1504 0.777E-03 0.399E-02
DAV: 9 -0.189473033194E+04 0.23988E-04 -0.65966E-05 1536 0.948E-03 0.189E-02
DAV: 10 -0.189473032351E+04 0.84355E-05 -0.37718E-05 1384 0.102E-02
616 T= 2626. E= -.17857877E+04 F= -.18947303E+04 E0= -.18947441E+04 EK= 0.10894E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189452949131E+04 0.20084E+00 -0.18724E-02 1446 0.485E-01 0.509E-01
DAV: 2 -0.189453187202E+04 -0.23807E-02 -0.26503E-01 2392 0.222E-01 0.509E-01
DAV: 3 -0.189453380830E+04 -0.19363E-02 -0.36560E-02 2240 0.160E-01 0.722E-01
DAV: 4 -0.189452765790E+04 0.61504E-02 -0.17269E-02 2296 0.106E-01 0.206E-01
DAV: 5 -0.189452759915E+04 0.58743E-04 -0.38239E-03 2000 0.476E-02 0.199E-01
DAV: 6 -0.189452665857E+04 0.94058E-03 -0.15510E-03 1920 0.320E-02 0.134E-01
DAV: 7 -0.189452618649E+04 0.47208E-03 -0.79947E-04 1992 0.289E-02 0.132E-01
DAV: 8 -0.189452548958E+04 0.69691E-03 -0.41226E-04 2104 0.310E-02 0.956E-02
DAV: 9 -0.189452498136E+04 0.50822E-03 -0.12503E-03 2184 0.401E-02 0.296E-02
DAV: 10 -0.189452505146E+04 -0.70104E-04 -0.73877E-04 1888 0.221E-02 0.456E-02
DAV: 11 -0.189452499559E+04 0.55866E-04 -0.27477E-04 1664 0.141E-02 0.236E-02
DAV: 12 -0.189452499796E+04 -0.23712E-05 -0.27672E-05 1328 0.438E-03
617 T= 2621. E= -.17857877E+04 F= -.18945250E+04 E0= -.18945421E+04 EK= 0.10874E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189432651691E+04 0.19848E+00 -0.37844E-03 2358 0.476E-01 0.126E-01
DAV: 2 -0.189432526519E+04 0.12517E-02 -0.23375E-03 2136 0.546E-02 0.906E-02
DAV: 3 -0.189432529255E+04 -0.27355E-04 -0.20522E-03 2032 0.402E-02 0.161E-01
DAV: 4 -0.189432502897E+04 0.26358E-03 -0.94437E-04 2152 0.302E-02 0.779E-02
DAV: 5 -0.189432499761E+04 0.31365E-04 -0.37594E-04 1912 0.155E-02 0.467E-02
DAV: 6 -0.189432496339E+04 0.34217E-04 -0.26357E-04 1744 0.116E-02 0.412E-02
DAV: 7 -0.189432493228E+04 0.31107E-04 -0.13162E-04 1440 0.124E-02 0.333E-02
DAV: 8 -0.189432491857E+04 0.13713E-04 -0.48283E-05 1312 0.778E-03 0.223E-02
DAV: 9 -0.189432491387E+04 0.46932E-05 -0.54253E-05 1176 0.610E-03
618 T= 2616. E= -.17857877E+04 F= -.18943249E+04 E0= -.18943440E+04 EK= 0.10854E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189413021214E+04 0.19471E+00 -0.20131E-04 1534 0.450E-01 0.661E-02
DAV: 2 -0.189413015113E+04 0.61006E-04 -0.13512E-03 2200 0.355E-02 0.736E-02
DAV: 3 -0.189413012129E+04 0.29842E-04 -0.55567E-04 2038 0.213E-02 0.705E-02
DAV: 4 -0.189413007264E+04 0.48651E-04 -0.16257E-04 1680 0.129E-02 0.290E-02
DAV: 5 -0.189413006676E+04 0.58864E-05 -0.77667E-05 1376 0.956E-03
619 T= 2611. E= -.17857877E+04 F= -.18941301E+04 E0= -.18941499E+04 EK= 0.10834E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189394053739E+04 0.18954E+00 -0.43140E-04 1894 0.444E-01 0.657E-02
DAV: 2 -0.189394075280E+04 -0.21540E-03 -0.20807E-03 2144 0.383E-02 0.151E-01
DAV: 3 -0.189394049544E+04 0.25736E-03 -0.87369E-04 2048 0.251E-02 0.699E-02
DAV: 4 -0.189394043997E+04 0.55463E-04 -0.21921E-04 1744 0.121E-02 0.243E-02
DAV: 5 -0.189394043235E+04 0.76257E-05 -0.35049E-05 1360 0.733E-03
620 T= 2607. E= -.17857877E+04 F= -.18939404E+04 E0= -.18939602E+04 EK= 0.10815E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189375607011E+04 0.18437E+00 0.28028E-04 1822 0.444E-01 0.628E-02
DAV: 2 -0.189375632008E+04 -0.24998E-03 -0.12465E-03 2024 0.336E-02 0.154E-01
DAV: 3 -0.189375606220E+04 0.25788E-03 -0.67894E-04 2048 0.223E-02 0.390E-02
DAV: 4 -0.189375607080E+04 -0.86044E-05 -0.11157E-04 1680 0.105E-02 0.240E-02
DAV: 5 -0.189375606663E+04 0.41696E-05 -0.93104E-05 1328 0.916E-03
621 T= 2602. E= -.17857877E+04 F= -.18937561E+04 E0= -.18937751E+04 EK= 0.10797E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189357711948E+04 0.17895E+00 -0.28678E-04 2246 0.451E-01 0.473E-02
DAV: 2 -0.189357721374E+04 -0.94255E-04 -0.96048E-04 2104 0.272E-02 0.820E-02
DAV: 3 -0.189357714398E+04 0.69758E-04 -0.31283E-04 1872 0.158E-02 0.435E-02
DAV: 4 -0.189357712756E+04 0.16420E-04 -0.89709E-05 1456 0.993E-03 0.207E-02
DAV: 5 -0.189357711708E+04 0.10481E-04 -0.96847E-05 1400 0.113E-02 0.159E-02
DAV: 6 -0.189357710820E+04 0.88801E-05 -0.49871E-05 1224 0.788E-03
622 T= 2598. E= -.17857877E+04 F= -.18935771E+04 E0= -.18935946E+04 EK= 0.10779E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189340370389E+04 0.17341E+00 -0.23067E-04 1876 0.446E-01 0.375E-02
DAV: 2 -0.189340370831E+04 -0.44221E-05 -0.70868E-04 2128 0.254E-02 0.504E-02
DAV: 3 -0.189340367188E+04 0.36429E-04 -0.22639E-04 1824 0.129E-02 0.323E-02
DAV: 4 -0.189340364957E+04 0.22315E-04 -0.56156E-05 1352 0.886E-03 0.274E-02
DAV: 5 -0.189340362458E+04 0.24990E-04 -0.63853E-05 1296 0.843E-03 0.198E-02
DAV: 6 -0.189340359716E+04 0.27415E-04 -0.36217E-05 1336 0.120E-02 0.199E-02
DAV: 7 -0.189340357608E+04 0.21085E-04 -0.52960E-05 1656 0.106E-02 0.154E-02
DAV: 8 -0.189340355425E+04 0.21822E-04 -0.18416E-05 1296 0.110E-02 0.104E-02
DAV: 9 -0.189340352033E+04 0.33924E-04 -0.38881E-05 1560 0.185E-02 0.916E-03
DAV: 10 -0.189340350211E+04 0.18224E-04 -0.83580E-05 1872 0.162E-02 0.832E-03
DAV: 11 -0.189340348549E+04 0.16619E-04 -0.33745E-05 1560 0.162E-02 0.607E-03
DAV: 12 -0.189340346758E+04 0.17908E-04 -0.45606E-05 1696 0.207E-02 0.525E-03
DAV: 13 -0.189340346327E+04 0.43077E-05 -0.88919E-05 1896 0.173E-02
623 T= 2594. E= -.17857876E+04 F= -.18934035E+04 E0= -.18934222E+04 EK= 0.10762E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189323622245E+04 0.16725E+00 0.38695E-03 1624 0.491E-01 0.863E-02
DAV: 2 -0.189323569686E+04 0.52559E-03 -0.18796E-03 2248 0.568E-02 0.810E-02
DAV: 3 -0.189323578714E+04 -0.90282E-04 -0.11820E-03 2016 0.347E-02 0.138E-01
DAV: 4 -0.189323556148E+04 0.22566E-03 -0.52856E-04 2056 0.257E-02 0.463E-02
DAV: 5 -0.189323554807E+04 0.13410E-04 -0.32836E-04 1888 0.146E-02 0.420E-02
DAV: 6 -0.189323550361E+04 0.44455E-04 -0.12578E-04 1360 0.121E-02 0.274E-02
DAV: 7 -0.189323547319E+04 0.30420E-04 -0.52227E-05 1512 0.129E-02 0.259E-02
DAV: 8 -0.189323543601E+04 0.37181E-04 -0.84359E-05 1560 0.154E-02 0.138E-02
DAV: 9 -0.189323541750E+04 0.18518E-04 -0.51262E-05 1752 0.143E-02 0.998E-03
DAV: 10 -0.189323540697E+04 0.10527E-04 -0.22161E-05 1544 0.122E-02 0.896E-03
DAV: 11 -0.189323540185E+04 0.51135E-05 -0.11042E-05 1312 0.818E-03
624 T= 2590. E= -.17857877E+04 F= -.18932354E+04 E0= -.18932550E+04 EK= 0.10745E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189307292439E+04 0.16248E+00 -0.11985E-04 2062 0.440E-01 0.387E-02
DAV: 2 -0.189307298334E+04 -0.58953E-04 -0.75423E-04 2040 0.259E-02 0.657E-02
DAV: 3 -0.189307299418E+04 -0.10838E-04 -0.20179E-05 1278 0.489E-03 0.784E-02
DAV: 4 -0.189307299493E+04 -0.74980E-06 -0.16815E-05 1128 0.474E-03
625 T= 2586. E= -.17857877E+04 F= -.18930730E+04 E0= -.18930928E+04 EK= 0.10729E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189291619005E+04 0.15680E+00 -0.24635E-04 2606 0.440E-01 0.122E-01
DAV: 2 -0.189291694745E+04 -0.75740E-03 -0.32401E-03 1960 0.528E-02 0.253E-01
DAV: 3 -0.189291623957E+04 0.70788E-03 -0.20099E-03 2072 0.384E-02 0.766E-02
DAV: 4 -0.189291624431E+04 -0.47351E-05 -0.27959E-04 1896 0.188E-02 0.268E-02
DAV: 5 -0.189291624168E+04 0.26316E-05 -0.16047E-04 1832 0.101E-02 0.203E-02
DAV: 6 -0.189291623967E+04 0.20084E-05 -0.65618E-05 1120 0.585E-03
626 T= 2582. E= -.17857877E+04 F= -.18929162E+04 E0= -.18929353E+04 EK= 0.10713E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189276539306E+04 0.15085E+00 -0.16414E-04 1654 0.440E-01 0.128E-01
DAV: 2 -0.189276622817E+04 -0.83511E-03 -0.28562E-03 2008 0.482E-02 0.277E-01
DAV: 3 -0.189276538089E+04 0.84728E-03 -0.20553E-03 2120 0.366E-02 0.709E-02
DAV: 4 -0.189276539640E+04 -0.15513E-04 -0.28051E-04 2080 0.202E-02 0.349E-02
DAV: 5 -0.189276539040E+04 0.60044E-05 -0.15493E-04 1896 0.115E-02 0.276E-02
DAV: 6 -0.189276538538E+04 0.50191E-05 -0.40326E-05 1256 0.659E-03
627 T= 2578. E= -.17857877E+04 F= -.18927654E+04 E0= -.18927840E+04 EK= 0.10698E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189262052175E+04 0.14487E+00 -0.14983E-04 1438 0.440E-01 0.492E-02
DAV: 2 -0.189262069527E+04 -0.17353E-03 -0.86183E-04 1960 0.230E-02 0.116E-01
DAV: 3 -0.189262052113E+04 0.17415E-03 -0.41767E-04 1904 0.141E-02 0.250E-02
DAV: 4 -0.189262051829E+04 0.28357E-05 -0.55177E-05 1360 0.872E-03
628 T= 2575. E= -.17857878E+04 F= -.18926205E+04 E0= -.18926376E+04 EK= 0.10683E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189248166404E+04 0.13886E+00 -0.16621E-04 1406 0.438E-01 0.477E-02
DAV: 2 -0.189248177348E+04 -0.10943E-03 -0.63439E-04 1992 0.312E-02 0.101E-01
DAV: 3 -0.189248165943E+04 0.11405E-03 -0.24970E-04 1992 0.182E-02 0.282E-02
DAV: 4 -0.189248165026E+04 0.91688E-05 -0.62761E-05 1608 0.920E-03
629 T= 2571. E= -.17857879E+04 F= -.18924817E+04 E0= -.18924983E+04 EK= 0.10669E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189234876120E+04 0.13290E+00 -0.12634E-04 1398 0.435E-01 0.478E-02
DAV: 2 -0.189234897892E+04 -0.21772E-03 -0.11330E-03 2040 0.277E-02 0.130E-01
DAV: 3 -0.189234875539E+04 0.22353E-03 -0.48395E-04 1944 0.155E-02 0.278E-02
DAV: 4 -0.189234874450E+04 0.10889E-04 -0.48920E-05 1488 0.970E-03 0.265E-02
DAV: 5 -0.189234873023E+04 0.14267E-04 -0.26666E-05 1224 0.733E-03 0.166E-02
DAV: 6 -0.189234869502E+04 0.35212E-04 -0.19787E-05 1384 0.136E-02 0.110E-02
DAV: 7 -0.189234866157E+04 0.33445E-04 -0.62076E-05 1752 0.163E-02 0.119E-02
DAV: 8 -0.189234864511E+04 0.16459E-04 -0.63700E-05 1840 0.122E-02 0.136E-02
DAV: 9 -0.189234862586E+04 0.19254E-04 -0.12091E-05 1248 0.112E-02 0.109E-02
DAV: 10 -0.189234860597E+04 0.19893E-04 -0.32554E-05 1512 0.130E-02 0.873E-03
DAV: 11 -0.189234856244E+04 0.43524E-04 -0.87374E-05 2160 0.324E-02 0.108E-02
DAV: 12 -0.189234855804E+04 0.44065E-05 -0.17151E-04 1984 0.240E-02 0.744E-03
DAV: 13 -0.189234856648E+04 -0.84473E-05 -0.98598E-05 1792 0.111E-02
630 T= 2568. E= -.17857877E+04 F= -.18923486E+04 E0= -.18923679E+04 EK= 0.10656E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189222723869E+04 0.12132E+00 -0.11377E-02 2494 0.540E-01 0.346E-01
DAV: 2 -0.189222339137E+04 0.38473E-02 -0.76968E-02 2528 0.219E-01 0.343E-01
DAV: 3 -0.189222485736E+04 -0.14660E-02 -0.17228E-02 1992 0.121E-01 0.483E-01
DAV: 4 -0.189222197732E+04 0.28800E-02 -0.61499E-03 2040 0.749E-02 0.118E-01
DAV: 5 -0.189222210911E+04 -0.13179E-03 -0.13131E-03 1896 0.314E-02 0.125E-01
DAV: 6 -0.189222194683E+04 0.16228E-03 -0.80487E-04 1992 0.212E-02 0.773E-02
DAV: 7 -0.189222186917E+04 0.77662E-04 -0.14889E-04 1864 0.150E-02 0.403E-02
DAV: 8 -0.189222184937E+04 0.19801E-04 -0.19198E-04 1568 0.124E-02 0.431E-02
DAV: 9 -0.189222182573E+04 0.23636E-04 -0.11593E-04 1328 0.119E-02 0.303E-02
DAV: 10 -0.189222179515E+04 0.30583E-04 -0.74109E-05 1512 0.161E-02 0.154E-02
DAV: 11 -0.189222177910E+04 0.16047E-04 -0.57621E-05 1744 0.134E-02 0.101E-02
DAV: 12 -0.189222177662E+04 0.24835E-05 -0.28134E-05 1424 0.626E-03
631 T= 2565. E= -.17857877E+04 F= -.18922218E+04 E0= -.18922417E+04 EK= 0.10643E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189210110792E+04 0.12067E+00 0.62836E-04 1436 0.439E-01 0.752E-02
DAV: 2 -0.189210111569E+04 -0.77689E-05 -0.56196E-04 2032 0.242E-02 0.629E-02
DAV: 3 -0.189210114799E+04 -0.32299E-04 -0.35433E-04 1968 0.156E-02 0.803E-02
DAV: 4 -0.189210107584E+04 0.72142E-04 -0.14390E-04 1592 0.132E-02 0.284E-02
DAV: 5 -0.189210107645E+04 -0.60463E-06 -0.95012E-05 1496 0.959E-03
632 T= 2562. E= -.17857877E+04 F= -.18921011E+04 E0= -.18921203E+04 EK= 0.10631E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189198666976E+04 0.11441E+00 -0.13381E-04 1856 0.447E-01 0.610E-02
DAV: 2 -0.189198682082E+04 -0.15106E-03 -0.68929E-04 2160 0.332E-02 0.127E-01
DAV: 3 -0.189198662107E+04 0.19974E-03 -0.29925E-04 2000 0.209E-02 0.435E-02
DAV: 4 -0.189198660680E+04 0.14270E-04 -0.78476E-05 1632 0.103E-02 0.289E-02
DAV: 5 -0.189198657996E+04 0.26849E-04 -0.30297E-05 1320 0.115E-02 0.299E-02
DAV: 6 -0.189198655293E+04 0.27028E-04 -0.64689E-05 1488 0.119E-02 0.236E-02
DAV: 7 -0.189198651218E+04 0.40747E-04 -0.40251E-05 1376 0.141E-02 0.124E-02
DAV: 8 -0.189198650205E+04 0.10135E-04 -0.55000E-05 1680 0.832E-03 0.159E-02
DAV: 9 -0.189198647449E+04 0.27553E-04 -0.93669E-06 1312 0.109E-02 0.110E-02
DAV: 10 -0.189198640011E+04 0.74385E-04 -0.13196E-04 2344 0.348E-02 0.178E-02
DAV: 11 -0.189198638681E+04 0.13302E-04 -0.16144E-04 1848 0.189E-02 0.178E-02
DAV: 12 -0.189198639158E+04 -0.47747E-05 -0.67017E-05 1600 0.811E-03
633 T= 2559. E= -.17857876E+04 F= -.18919864E+04 E0= -.18920055E+04 EK= 0.10620E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189187795249E+04 0.10843E+00 0.55141E-04 2448 0.461E-01 0.695E-02
DAV: 2 -0.189187803900E+04 -0.86511E-04 -0.96350E-04 2128 0.423E-02 0.149E-01
DAV: 3 -0.189187777923E+04 0.25977E-03 -0.50464E-04 2032 0.259E-02 0.508E-02
DAV: 4 -0.189187773685E+04 0.42376E-04 -0.15953E-04 1880 0.176E-02 0.383E-02
DAV: 5 -0.189187769835E+04 0.38504E-04 -0.10887E-04 1832 0.165E-02 0.438E-02
DAV: 6 -0.189187766185E+04 0.36501E-04 -0.13385E-04 1816 0.155E-02 0.300E-02
DAV: 7 -0.189187763429E+04 0.27557E-04 -0.55329E-05 1416 0.129E-02 0.143E-02
DAV: 8 -0.189187763002E+04 0.42735E-05 -0.34866E-05 1536 0.761E-03
634 T= 2557. E= -.17857876E+04 F= -.18918776E+04 E0= -.18918976E+04 EK= 0.10609E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189177453407E+04 0.10310E+00 -0.13177E-04 2632 0.436E-01 0.328E-02
DAV: 2 -0.189177465174E+04 -0.11767E-03 -0.15386E-03 1880 0.286E-02 0.543E-02
DAV: 3 -0.189177462094E+04 0.30802E-04 -0.30209E-04 1976 0.135E-02 0.281E-02
DAV: 4 -0.189177461508E+04 0.58529E-05 -0.26315E-05 1168 0.552E-03
635 T= 2554. E= -.17857877E+04 F= -.18917746E+04 E0= -.18917948E+04 EK= 0.10599E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189167708886E+04 0.97532E-01 -0.15607E-04 2256 0.434E-01 0.548E-02
DAV: 2 -0.189167734256E+04 -0.25371E-03 -0.26429E-03 2120 0.396E-02 0.132E-01
DAV: 3 -0.189167708262E+04 0.25995E-03 -0.99490E-04 1992 0.233E-02 0.370E-02
DAV: 4 -0.189167708089E+04 0.17296E-05 -0.77523E-05 1664 0.781E-03
636 T= 2552. E= -.17857877E+04 F= -.18916771E+04 E0= -.18916972E+04 EK= 0.10589E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189158462790E+04 0.92455E-01 -0.32839E-04 2022 0.433E-01 0.617E-02
DAV: 2 -0.189158482708E+04 -0.19918E-03 -0.30176E-03 2128 0.400E-02 0.110E-01
DAV: 3 -0.189158464216E+04 0.18492E-03 -0.15958E-03 2038 0.258E-02 0.414E-02
DAV: 4 -0.189158463991E+04 0.22538E-05 -0.96113E-05 1752 0.116E-02
637 T= 2550. E= -.17857878E+04 F= -.18915846E+04 E0= -.18916045E+04 EK= 0.10580E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189149676455E+04 0.87878E-01 -0.36556E-04 2580 0.434E-01 0.722E-02
DAV: 2 -0.189149689086E+04 -0.12631E-03 -0.15292E-03 2008 0.358E-02 0.663E-02
DAV: 3 -0.189149685422E+04 0.36641E-04 -0.65226E-04 2000 0.207E-02 0.422E-02
DAV: 4 -0.189149684395E+04 0.10273E-04 -0.15922E-04 1904 0.137E-02 0.363E-02
DAV: 5 -0.189149684080E+04 0.31442E-05 -0.96836E-05 1336 0.941E-03
638 T= 2548. E= -.17857878E+04 F= -.18914968E+04 E0= -.18915167E+04 EK= 0.10571E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189141314482E+04 0.83699E-01 -0.31067E-04 2404 0.436E-01 0.490E-02
DAV: 2 -0.189141340795E+04 -0.26313E-03 -0.11764E-03 2048 0.322E-02 0.135E-01
DAV: 3 -0.189141319248E+04 0.21547E-03 -0.37601E-04 1968 0.172E-02 0.335E-02
DAV: 4 -0.189141318734E+04 0.51466E-05 -0.53861E-05 1568 0.875E-03
639 T= 2546. E= -.17857878E+04 F= -.18914132E+04 E0= -.18914331E+04 EK= 0.10563E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189133301623E+04 0.80176E-01 -0.30688E-04 2326 0.433E-01 0.791E-02
DAV: 2 -0.189133366086E+04 -0.64463E-03 -0.21922E-03 2264 0.458E-02 0.236E-01
DAV: 3 -0.189133293591E+04 0.72495E-03 -0.11416E-03 2216 0.311E-02 0.336E-02
DAV: 4 -0.189133295702E+04 -0.21101E-04 -0.11932E-04 1832 0.141E-02 0.300E-02
DAV: 5 -0.189133294527E+04 0.11743E-04 -0.79918E-05 1824 0.120E-02 0.288E-02
DAV: 6 -0.189133293235E+04 0.12921E-04 -0.57818E-05 1336 0.981E-03 0.217E-02
DAV: 7 -0.189133292267E+04 0.96762E-05 -0.54206E-05 1176 0.610E-03
640 T= 2544. E= -.17857877E+04 F= -.18913329E+04 E0= -.18913528E+04 EK= 0.10555E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189125539355E+04 0.77539E-01 0.28941E-04 2022 0.439E-01 0.721E-02
DAV: 2 -0.189125587840E+04 -0.48485E-03 -0.18153E-03 2216 0.424E-02 0.214E-01
DAV: 3 -0.189125533617E+04 0.54223E-03 -0.87033E-04 2160 0.296E-02 0.359E-02
DAV: 4 -0.189125537858E+04 -0.42411E-04 -0.12314E-04 1792 0.117E-02 0.395E-02
DAV: 5 -0.189125535604E+04 0.22540E-04 -0.69924E-05 1592 0.103E-02 0.211E-02
DAV: 6 -0.189125534818E+04 0.78610E-05 -0.53515E-05 1280 0.777E-03
641 T= 2542. E= -.17857878E+04 F= -.18912553E+04 E0= -.18912754E+04 EK= 0.10547E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189117961772E+04 0.75738E-01 0.29151E-05 2448 0.435E-01 0.457E-02
DAV: 2 -0.189117969324E+04 -0.75526E-04 -0.12244E-03 2056 0.325E-02 0.862E-02
DAV: 3 -0.189117960964E+04 0.83599E-04 -0.36045E-04 1936 0.173E-02 0.352E-02
DAV: 4 -0.189117959448E+04 0.15160E-04 -0.51936E-05 1376 0.934E-03 0.270E-02
DAV: 5 -0.189117958145E+04 0.13034E-04 -0.67343E-05 1232 0.653E-03 0.211E-02
DAV: 6 -0.189117956330E+04 0.18153E-04 -0.29791E-05 1360 0.104E-02 0.238E-02
DAV: 7 -0.189117954159E+04 0.21709E-04 -0.33942E-05 1608 0.114E-02 0.128E-02
DAV: 8 -0.189117953906E+04 0.25309E-05 -0.35730E-05 1448 0.659E-03
642 T= 2540. E= -.17857879E+04 F= -.18911795E+04 E0= -.18911994E+04 EK= 0.10539E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189110456442E+04 0.74977E-01 -0.12803E-04 2016 0.435E-01 0.313E-02
DAV: 2 -0.189110461175E+04 -0.47322E-04 -0.80275E-04 2056 0.206E-02 0.470E-02
DAV: 3 -0.189110457716E+04 0.34583E-04 -0.21641E-04 1680 0.107E-02 0.229E-02
DAV: 4 -0.189110456379E+04 0.13369E-04 -0.17510E-05 1288 0.823E-03 0.207E-02
DAV: 5 -0.189110454583E+04 0.17969E-04 -0.38297E-05 1320 0.887E-03 0.137E-02
DAV: 6 -0.189110453442E+04 0.11405E-04 -0.40224E-05 1440 0.960E-03 0.157E-02
DAV: 7 -0.189110453053E+04 0.38946E-05 -0.23589E-05 1296 0.562E-03
643 T= 2538. E= -.17857879E+04 F= -.18911045E+04 E0= -.18911243E+04 EK= 0.10532E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189102917271E+04 0.75362E-01 -0.20676E-04 2294 0.432E-01 0.462E-02
DAV: 2 -0.189102923434E+04 -0.61631E-04 -0.77035E-04 2000 0.220E-02 0.401E-02
DAV: 3 -0.189102923766E+04 -0.33275E-05 -0.16403E-04 1670 0.120E-02 0.449E-02
DAV: 4 -0.189102921508E+04 0.22582E-04 -0.32697E-05 1248 0.717E-03 0.169E-02
DAV: 5 -0.189102921476E+04 0.32646E-06 -0.34985E-05 1008 0.392E-03
644 T= 2536. E= -.17857880E+04 F= -.18910292E+04 E0= -.18910488E+04 EK= 0.10524E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189095234280E+04 0.76872E-01 -0.22991E-04 2342 0.432E-01 0.443E-02
DAV: 2 -0.189095253779E+04 -0.19499E-03 -0.88715E-04 2032 0.265E-02 0.105E-01
DAV: 3 -0.189095239361E+04 0.14417E-03 -0.24530E-04 1912 0.146E-02 0.256E-02
DAV: 4 -0.189095239279E+04 0.82317E-06 -0.60521E-05 1312 0.657E-03
645 T= 2535. E= -.17857882E+04 F= -.18909524E+04 E0= -.18909718E+04 EK= 0.10516E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189087282737E+04 0.79566E-01 -0.18924E-04 2268 0.433E-01 0.460E-02
DAV: 2 -0.189087305284E+04 -0.22547E-03 -0.10729E-03 2064 0.284E-02 0.121E-01
DAV: 3 -0.189087286133E+04 0.19151E-03 -0.33138E-04 1936 0.161E-02 0.226E-02
DAV: 4 -0.189087286088E+04 0.45016E-06 -0.56773E-05 1432 0.669E-03
646 T= 2533. E= -.17857883E+04 F= -.18908729E+04 E0= -.18908925E+04 EK= 0.10508E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189078935143E+04 0.83510E-01 -0.18052E-04 1964 0.434E-01 0.493E-02
DAV: 2 -0.189078957654E+04 -0.22512E-03 -0.13770E-03 1992 0.360E-02 0.128E-01
DAV: 3 -0.189078938084E+04 0.19570E-03 -0.42805E-04 1984 0.211E-02 0.324E-02
DAV: 4 -0.189078938667E+04 -0.58281E-05 -0.49117E-05 1632 0.871E-03
647 T= 2531. E= -.17857883E+04 F= -.18907894E+04 E0= -.18908086E+04 EK= 0.10500E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189070072235E+04 0.88658E-01 -0.26324E-04 2566 0.433E-01 0.543E-02
DAV: 2 -0.189070087106E+04 -0.14870E-03 -0.16314E-03 1976 0.395E-02 0.851E-02
DAV: 3 -0.189070079795E+04 0.73111E-04 -0.38861E-04 1936 0.191E-02 0.486E-02
DAV: 4 -0.189070077743E+04 0.20514E-04 -0.53616E-05 1576 0.104E-02 0.188E-02
DAV: 5 -0.189070077667E+04 0.76444E-06 -0.23533E-05 1040 0.557E-03
648 T= 2528. E= -.17857884E+04 F= -.18907008E+04 E0= -.18907199E+04 EK= 0.10491E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189060589071E+04 0.94887E-01 -0.52844E-04 2750 0.435E-01 0.474E-02
DAV: 2 -0.189060607864E+04 -0.18793E-03 -0.25334E-03 1952 0.420E-02 0.723E-02
DAV: 3 -0.189060599797E+04 0.80667E-04 -0.81306E-04 1990 0.184E-02 0.376E-02
DAV: 4 -0.189060598373E+04 0.14241E-04 -0.68644E-05 1464 0.905E-03 0.210E-02
DAV: 5 -0.189060598131E+04 0.24234E-05 -0.16929E-05 1016 0.506E-03
649 T= 2526. E= -.17857885E+04 F= -.18906060E+04 E0= -.18906252E+04 EK= 0.10482E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189050398607E+04 0.10200E+00 -0.70785E-04 2910 0.434E-01 0.434E-02
DAV: 2 -0.189050421040E+04 -0.22433E-03 -0.29197E-03 1952 0.437E-02 0.797E-02
DAV: 3 -0.189050411951E+04 0.90889E-04 -0.78889E-04 1976 0.179E-02 0.428E-02
DAV: 4 -0.189050410137E+04 0.18143E-04 -0.59147E-05 1576 0.835E-03 0.247E-02
DAV: 5 -0.189050409739E+04 0.39856E-05 -0.14778E-05 1024 0.489E-03
650 T= 2524. E= -.17857886E+04 F= -.18905041E+04 E0= -.18905231E+04 EK= 0.10472E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189039432750E+04 0.10977E+00 -0.75506E-04 2918 0.435E-01 0.652E-02
DAV: 2 -0.189039482366E+04 -0.49616E-03 -0.42908E-03 1928 0.612E-02 0.160E-01
DAV: 3 -0.189039450851E+04 0.31515E-03 -0.96989E-04 1960 0.303E-02 0.652E-02
DAV: 4 -0.189039448641E+04 0.22098E-04 -0.10813E-04 1856 0.131E-02 0.324E-02
DAV: 5 -0.189039448600E+04 0.41527E-06 -0.17782E-05 1104 0.486E-03
651 T= 2521. E= -.17857886E+04 F= -.18903945E+04 E0= -.18904134E+04 EK= 0.10461E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189027690740E+04 0.11758E+00 -0.54969E-04 2878 0.433E-01 0.107E-01
DAV: 2 -0.189027719939E+04 -0.29199E-03 -0.51356E-03 1880 0.799E-02 0.132E-01
DAV: 3 -0.189027708500E+04 0.11439E-03 -0.12969E-03 2046 0.387E-02 0.110E-01
DAV: 4 -0.189027695779E+04 0.12721E-03 -0.26337E-04 2000 0.203E-02 0.348E-02
DAV: 5 -0.189027695562E+04 0.21712E-05 -0.87796E-05 1728 0.967E-03
652 T= 2518. E= -.17857886E+04 F= -.18902770E+04 E0= -.18902957E+04 EK= 0.10449E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189015186966E+04 0.12509E+00 -0.62761E-04 2832 0.429E-01 0.115E-01
DAV: 2 -0.189015216363E+04 -0.29397E-03 -0.55950E-03 1904 0.807E-02 0.147E-01
DAV: 3 -0.189015201465E+04 0.14898E-03 -0.29283E-03 2008 0.351E-02 0.107E-01
DAV: 4 -0.189015186271E+04 0.15194E-03 -0.49681E-04 2040 0.192E-02 0.368E-02
DAV: 5 -0.189015185318E+04 0.95302E-05 -0.73717E-05 1760 0.983E-03
653 T= 2515. E= -.17857886E+04 F= -.18901519E+04 E0= -.18901704E+04 EK= 0.10436E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189002000211E+04 0.13186E+00 -0.47223E-04 2830 0.429E-01 0.839E-02
DAV: 2 -0.189002019405E+04 -0.19194E-03 -0.38466E-03 1928 0.624E-02 0.988E-02
DAV: 3 -0.189002012402E+04 0.70034E-04 -0.16874E-03 2046 0.298E-02 0.800E-02
DAV: 4 -0.189002004758E+04 0.76442E-04 -0.22473E-04 1952 0.148E-02 0.310E-02
DAV: 5 -0.189002004092E+04 0.66590E-05 -0.50360E-05 1302 0.801E-03
654 T= 2512. E= -.17857885E+04 F= -.18900200E+04 E0= -.18900383E+04 EK= 0.10423E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.188988298521E+04 0.13706E+00 -0.36971E-04 2678 0.429E-01 0.821E-02
DAV: 2 -0.188988349111E+04 -0.50590E-03 -0.45405E-03 1920 0.654E-02 0.186E-01
DAV: 3 -0.188988307409E+04 0.41702E-03 -0.16920E-03 2030 0.353E-02 0.614E-02
DAV: 4 -0.188988305832E+04 0.15769E-04 -0.13778E-04 1848 0.148E-02 0.284E-02
DAV: 5 -0.188988305367E+04 0.46551E-05 -0.44432E-05 1272 0.664E-03
655 T= 2509. E= -.17857884E+04 F= -.18898831E+04 E0= -.18899012E+04 EK= 0.10409E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.188974305314E+04 0.14001E+00 -0.57820E-04 2896 0.427E-01 0.800E-02
DAV: 2 -0.188974341347E+04 -0.36034E-03 -0.34595E-03 1936 0.634E-02 0.149E-01
DAV: 3 -0.188974316799E+04 0.24548E-03 -0.82436E-04 2040 0.328E-02 0.743E-02
DAV: 4 -0.188974311772E+04 0.50276E-04 -0.17200E-04 1896 0.157E-02 0.293E-02
DAV: 5 -0.188974311170E+04 0.60184E-05 -0.62917E-05 1568 0.794E-03
656 T= 2505. E= -.17857882E+04 F= -.18897431E+04 E0= -.18897612E+04 EK= 0.10395E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.188960295500E+04 0.14016E+00 -0.60993E-04 2782 0.426E-01 0.836E-02
DAV: 2 -0.188960344616E+04 -0.49116E-03 -0.54767E-03 1952 0.645E-02 0.174E-01
DAV: 3 -0.188960305994E+04 0.38622E-03 -0.26188E-03 1992 0.319E-02 0.711E-02
DAV: 4 -0.188960300427E+04 0.55675E-04 -0.17631E-04 1840 0.151E-02 0.338E-02
DAV: 5 -0.188960299624E+04 0.80246E-05 -0.46767E-05 1344 0.784E-03
657 T= 2502. E= -.17857881E+04 F= -.18896030E+04 E0= -.18896209E+04 EK= 0.10381E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.188946594435E+04 0.13706E+00 -0.48707E-04 2782 0.424E-01 0.853E-02
DAV: 2 -0.188946621102E+04 -0.26667E-03 -0.44382E-03 1944 0.646E-02 0.117E-01
DAV: 3 -0.188946607479E+04 0.13622E-03 -0.18268E-03 1982 0.329E-02 0.777E-02
DAV: 4 -0.188946600951E+04 0.65288E-04 -0.20445E-04 1896 0.155E-02 0.330E-02
DAV: 5 -0.188946600337E+04 0.61308E-05 -0.55424E-05 1392 0.837E-03
658 T= 2499. E= -.17857878E+04 F= -.18894660E+04 E0= -.18894836E+04 EK= 0.10368E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.188933564068E+04 0.13037E+00 -0.64469E-04 2862 0.423E-01 0.913E-02
DAV: 2 -0.188933614899E+04 -0.50831E-03 -0.49787E-03 1928 0.743E-02 0.179E-01
DAV: 3 -0.188933577749E+04 0.37151E-03 -0.15895E-03 2048 0.386E-02 0.744E-02
DAV: 4 -0.188933573102E+04 0.46469E-04 -0.18569E-04 1872 0.172E-02 0.327E-02
DAV: 5 -0.188933572416E+04 0.68639E-05 -0.60350E-05 1576 0.807E-03
659 T= 2496. E= -.17857876E+04 F= -.18893357E+04 E0= -.18893530E+04 EK= 0.10355E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.188921555330E+04 0.12018E+00 -0.69880E-04 2902 0.422E-01 0.847E-02
DAV: 2 -0.188921593051E+04 -0.37722E-03 -0.34881E-03 1936 0.677E-02 0.147E-01
DAV: 3 -0.188921568602E+04 0.24449E-03 -0.79237E-04 2014 0.340E-02 0.758E-02
DAV: 4 -0.188921562656E+04 0.59467E-04 -0.16331E-04 1920 0.157E-02 0.341E-02
DAV: 5 -0.188921561767E+04 0.88875E-05 -0.37990E-05 1384 0.819E-03
660 T= 2493. E= -.17857875E+04 F= -.18892156E+04 E0= -.18892328E+04 EK= 0.10343E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.188910863865E+04 0.10699E+00 -0.80954E-04 2830 0.422E-01 0.864E-02
DAV: 2 -0.188910907419E+04 -0.43554E-03 -0.62220E-03 1944 0.702E-02 0.151E-01
DAV: 3 -0.188910879299E+04 0.28120E-03 -0.26665E-03 2022 0.369E-02 0.744E-02
DAV: 4 -0.188910874098E+04 0.52015E-04 -0.16286E-04 1912 0.157E-02 0.340E-02
DAV: 5 -0.188910873366E+04 0.73143E-05 -0.50786E-05 1408 0.814E-03
661 T= 2490. E= -.17857873E+04 F= -.18891087E+04 E0= -.18891256E+04 EK= 0.10332E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.188901731477E+04 0.91426E-01 -0.10590E-03 2902 0.422E-01 0.908E-02
DAV: 2 -0.188901764131E+04 -0.32654E-03 -0.48325E-03 1960 0.697E-02 0.127E-01
DAV: 3 -0.188901750008E+04 0.14124E-03 -0.15080E-03 2032 0.353E-02 0.834E-02
DAV: 4 -0.188901742756E+04 0.72518E-04 -0.18354E-04 1936 0.164E-02 0.327E-02
DAV: 5 -0.188901742215E+04 0.54120E-05 -0.58215E-05 1560 0.898E-03
662 T= 2488. E= -.17857872E+04 F= -.18890174E+04 E0= -.18890342E+04 EK= 0.10323E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.188894284802E+04 0.74580E-01 -0.41588E-04 2790 0.421E-01 0.917E-02
DAV: 2 -0.188894341618E+04 -0.56816E-03 -0.38548E-03 1928 0.722E-02 0.195E-01
DAV: 3 -0.188894296313E+04 0.45305E-03 -0.10813E-03 1984 0.366E-02 0.713E-02
DAV: 4 -0.188894291249E+04 0.50639E-04 -0.18529E-04 1864 0.166E-02 0.354E-02
DAV: 5 -0.188894290227E+04 0.10224E-04 -0.46970E-05 1512 0.849E-03 0.203E-02
DAV: 6 -0.188894289428E+04 0.79853E-05 -0.38402E-05 1320 0.777E-03
663 T= 2486. E= -.17857873E+04 F= -.18889429E+04 E0= -.18889595E+04 EK= 0.10316E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.188888497909E+04 0.57923E-01 -0.63778E-04 2934 0.418E-01 0.787E-02
DAV: 2 -0.188888575967E+04 -0.78059E-03 -0.31545E-03 1992 0.556E-02 0.217E-01
DAV: 3 -0.188888508079E+04 0.67888E-03 -0.90602E-04 2014 0.275E-02 0.436E-02
DAV: 4 -0.188888507291E+04 0.78813E-05 -0.92552E-05 1784 0.108E-02
664 T= 2485. E= -.17857874E+04 F= -.18888851E+04 E0= -.18889014E+04 EK= 0.10310E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.188884254195E+04 0.42539E-01 -0.45284E-04 2806 0.420E-01 0.883E-02
DAV: 2 -0.188884294563E+04 -0.40368E-03 -0.37302E-03 1928 0.658E-02 0.162E-01
DAV: 3 -0.188884265553E+04 0.29010E-03 -0.96769E-04 1976 0.314E-02 0.690E-02
DAV: 4 -0.188884261154E+04 0.43989E-04 -0.18181E-04 1888 0.171E-02 0.291E-02
DAV: 5 -0.188884260958E+04 0.19561E-05 -0.64777E-05 1688 0.879E-03
665 T= 2484. E= -.17857876E+04 F= -.18888426E+04 E0= -.18888586E+04 EK= 0.10306E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.188881277530E+04 0.29836E-01 -0.60887E-04 2902 0.418E-01 0.911E-02
DAV: 2 -0.188881327396E+04 -0.49865E-03 -0.38396E-03 1944 0.695E-02 0.182E-01
DAV: 3 -0.188881288371E+04 0.39025E-03 -0.11359E-03 1992 0.365E-02 0.775E-02
DAV: 4 -0.188881283875E+04 0.44959E-04 -0.25890E-04 1880 0.176E-02 0.289E-02
DAV: 5 -0.188881283429E+04 0.44577E-05 -0.68327E-05 1680 0.879E-03
666 T= 2483. E= -.17857878E+04 F= -.18888128E+04 E0= -.18888289E+04 EK= 0.10303E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.188879216689E+04 0.20672E-01 -0.65091E-04 2782 0.421E-01 0.773E-02
DAV: 2 -0.188879262654E+04 -0.45964E-03 -0.37084E-03 2008 0.596E-02 0.164E-01
DAV: 3 -0.188879227943E+04 0.34710E-03 -0.95397E-04 2056 0.320E-02 0.669E-02
DAV: 4 -0.188879224632E+04 0.33118E-04 -0.20857E-04 1856 0.145E-02 0.285E-02
DAV: 5 -0.188879224233E+04 0.39865E-05 -0.43793E-05 1368 0.734E-03
667 T= 2482. E= -.17857880E+04 F= -.18887922E+04 E0= -.18888081E+04 EK= 0.10300E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.188877663795E+04 0.15608E-01 -0.62175E-04 2894 0.421E-01 0.691E-02
DAV: 2 -0.188877690782E+04 -0.26988E-03 -0.31321E-03 2032 0.560E-02 0.111E-01
DAV: 3 -0.188877676229E+04 0.14553E-03 -0.56495E-04 2054 0.275E-02 0.660E-02
DAV: 4 -0.188877671975E+04 0.42537E-04 -0.15846E-04 1864 0.130E-02 0.265E-02
DAV: 5 -0.188877671572E+04 0.40327E-05 -0.29462E-05 1152 0.669E-03
668 T= 2482. E= -.17857883E+04 F= -.18887767E+04 E0= -.18887925E+04 EK= 0.10299E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.188876183921E+04 0.14881E-01 -0.76176E-04 2862 0.421E-01 0.789E-02
DAV: 2 -0.188876244400E+04 -0.60478E-03 -0.49158E-03 1928 0.646E-02 0.176E-01
DAV: 3 -0.188876198298E+04 0.46102E-03 -0.15766E-03 2008 0.310E-02 0.601E-02
DAV: 4 -0.188876194934E+04 0.33635E-04 -0.17695E-04 1832 0.144E-02 0.311E-02
DAV: 5 -0.188876194526E+04 0.40829E-05 -0.33831E-05 1192 0.647E-03
669 T= 2482. E= -.17857886E+04 F= -.18887619E+04 E0= -.18887776E+04 EK= 0.10297E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.188874379640E+04 0.18153E-01 -0.70413E-04 2936 0.421E-01 0.827E-02
DAV: 2 -0.188874428672E+04 -0.49033E-03 -0.43744E-03 1952 0.682E-02 0.164E-01
DAV: 3 -0.188874397428E+04 0.31244E-03 -0.88696E-04 2000 0.315E-02 0.743E-02
DAV: 4 -0.188874391408E+04 0.60205E-04 -0.23237E-04 1840 0.161E-02 0.320E-02
DAV: 5 -0.188874391029E+04 0.37813E-05 -0.52565E-05 1488 0.757E-03
670 T= 2481. E= -.17857888E+04 F= -.18887439E+04 E0= -.18887595E+04 EK= 0.10296E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.188871916508E+04 0.24749E-01 -0.86641E-04 2838 0.421E-01 0.103E-01
DAV: 2 -0.188871970946E+04 -0.54438E-03 -0.52277E-03 1920 0.792E-02 0.192E-01
DAV: 3 -0.188871929765E+04 0.41181E-03 -0.15094E-03 2022 0.420E-02 0.881E-02
DAV: 4 -0.188871923396E+04 0.63693E-04 -0.37157E-04 1888 0.195E-02 0.353E-02
DAV: 5 -0.188871922774E+04 0.62206E-05 -0.78768E-05 1696 0.937E-03
671 T= 2481. E= -.17857890E+04 F= -.18887192E+04 E0= -.18887347E+04 EK= 0.10293E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.188868539761E+04 0.33836E-01 -0.75991E-04 2918 0.422E-01 0.940E-02
DAV: 2 -0.188868569499E+04 -0.29738E-03 -0.40156E-03 1920 0.725E-02 0.139E-01
DAV: 3 -0.188868553053E+04 0.16447E-03 -0.10268E-03 2048 0.372E-02 0.918E-02
DAV: 4 -0.188868544170E+04 0.88831E-04 -0.32615E-04 1904 0.179E-02 0.302E-02
DAV: 5 -0.188868543853E+04 0.31699E-05 -0.69921E-05 1704 0.885E-03
672 T= 2480. E= -.17857891E+04 F= -.18886854E+04 E0= -.18887008E+04 EK= 0.10290E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.188864112969E+04 0.44312E-01 -0.51053E-04 2878 0.424E-01 0.749E-02
DAV: 2 -0.188864147838E+04 -0.34869E-03 -0.33651E-03 1920 0.590E-02 0.135E-01
DAV: 3 -0.188864124940E+04 0.22898E-03 -0.84573E-04 1976 0.268E-02 0.597E-02
DAV: 4 -0.188864121009E+04 0.39310E-04 -0.16128E-04 1816 0.135E-02 0.276E-02
DAV: 5 -0.188864120598E+04 0.41080E-05 -0.40643E-05 1160 0.633E-03
673 T= 2479. E= -.17857891E+04 F= -.18886412E+04 E0= -.18886565E+04 EK= 0.10285E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.188858634014E+04 0.54870E-01 -0.57335E-04 2902 0.423E-01 0.656E-02
DAV: 2 -0.188858656617E+04 -0.22604E-03 -0.32740E-03 1936 0.533E-02 0.962E-02
DAV: 3 -0.188858646748E+04 0.98692E-04 -0.92850E-04 2038 0.238E-02 0.584E-02
DAV: 4 -0.188858642886E+04 0.38624E-04 -0.13800E-04 1872 0.125E-02 0.270E-02
DAV: 5 -0.188858642393E+04 0.49318E-05 -0.46300E-05 1128 0.647E-03
674 T= 2477. E= -.17857890E+04 F= -.18885864E+04 E0= -.18886018E+04 EK= 0.10280E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.188852202225E+04 0.64407E-01 -0.81475E-04 2894 0.424E-01 0.733E-02
DAV: 2 -0.188852245400E+04 -0.43175E-03 -0.37333E-03 1920 0.637E-02 0.156E-01
DAV: 3 -0.188852217064E+04 0.28337E-03 -0.86071E-04 2016 0.322E-02 0.671E-02
DAV: 4 -0.188852213573E+04 0.34901E-04 -0.19545E-04 1816 0.143E-02 0.297E-02
DAV: 5 -0.188852213330E+04 0.24396E-05 -0.25868E-05 1216 0.599E-03
675 T= 2476. E= -.17857889E+04 F= -.18885221E+04 E0= -.18885376E+04 EK= 0.10273E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.188845033383E+04 0.71802E-01 -0.10553E-03 2966 0.423E-01 0.855E-02
DAV: 2 -0.188845077279E+04 -0.43896E-03 -0.49379E-03 1928 0.714E-02 0.152E-01
DAV: 3 -0.188845050792E+04 0.26487E-03 -0.13064E-03 2024 0.350E-02 0.819E-02
DAV: 4 -0.188845043675E+04 0.71169E-04 -0.27325E-04 1872 0.165E-02 0.322E-02
DAV: 5 -0.188845043251E+04 0.42382E-05 -0.56544E-05 1608 0.791E-03
676 T= 2474. E= -.17857887E+04 F= -.18884504E+04 E0= -.18884660E+04 EK= 0.10266E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.188837419200E+04 0.76245E-01 -0.56307E-04 2848 0.423E-01 0.977E-02
DAV: 2 -0.188837454093E+04 -0.34893E-03 -0.49082E-03 1904 0.764E-02 0.147E-01
DAV: 3 -0.188837434842E+04 0.19251E-03 -0.12053E-03 2038 0.385E-02 0.956E-02
DAV: 4 -0.188837425186E+04 0.96563E-04 -0.34070E-04 1920 0.189E-02 0.327E-02
DAV: 5 -0.188837424895E+04 0.29048E-05 -0.81818E-05 1672 0.891E-03
677 T= 2472. E= -.17857884E+04 F= -.18883742E+04 E0= -.18883898E+04 EK= 0.10259E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.188829703453E+04 0.77217E-01 -0.69596E-04 2942 0.423E-01 0.879E-02
DAV: 2 -0.188829726765E+04 -0.23312E-03 -0.40146E-03 1920 0.700E-02 0.105E-01
DAV: 3 -0.188829719450E+04 0.73144E-04 -0.91431E-04 2056 0.334E-02 0.861E-02
DAV: 4 -0.188829711290E+04 0.81606E-04 -0.26991E-04 1896 0.160E-02 0.284E-02
DAV: 5 -0.188829711073E+04 0.21657E-05 -0.54281E-05 1472 0.782E-03
678 T= 2471. E= -.17857882E+04 F= -.18882971E+04 E0= -.18883126E+04 EK= 0.10251E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.188822279283E+04 0.74320E-01 -0.51870E-04 2846 0.420E-01 0.759E-02
DAV: 2 -0.188822306485E+04 -0.27202E-03 -0.32698E-03 1912 0.615E-02 0.114E-01
DAV: 3 -0.188822292934E+04 0.13551E-03 -0.60537E-04 1992 0.276E-02 0.690E-02
DAV: 4 -0.188822287162E+04 0.57717E-04 -0.18030E-04 1880 0.141E-02 0.278E-02
DAV: 5 -0.188822286757E+04 0.40505E-05 -0.35668E-05 1200 0.666E-03
679 T= 2469. E= -.17857879E+04 F= -.18882229E+04 E0= -.18882384E+04 EK= 0.10243E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.188815528041E+04 0.67591E-01 -0.56428E-04 2886 0.419E-01 0.715E-02
DAV: 2 -0.188815556596E+04 -0.28555E-03 -0.34728E-03 1944 0.586E-02 0.121E-01
DAV: 3 -0.188815541251E+04 0.15344E-03 -0.84410E-04 2014 0.287E-02 0.701E-02
DAV: 4 -0.188815535972E+04 0.52790E-04 -0.19012E-04 1856 0.142E-02 0.268E-02
DAV: 5 -0.188815535619E+04 0.35362E-05 -0.38768E-05 1184 0.673E-03
680 T= 2467. E= -.17857877E+04 F= -.18881554E+04 E0= -.18881710E+04 EK= 0.10237E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.188809803464E+04 0.57325E-01 -0.89763E-04 2878 0.420E-01 0.807E-02
DAV: 2 -0.188809848406E+04 -0.44943E-03 -0.42687E-03 1928 0.688E-02 0.162E-01
DAV: 3 -0.188809819348E+04 0.29058E-03 -0.11647E-03 2000 0.346E-02 0.703E-02
DAV: 4 -0.188809815275E+04 0.40733E-04 -0.23081E-04 1864 0.156E-02 0.306E-02
DAV: 5 -0.188809814786E+04 0.48889E-05 -0.38613E-05 1376 0.701E-03
681 T= 2466. E= -.17857875E+04 F= -.18880981E+04 E0= -.18881140E+04 EK= 0.10231E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.188805417856E+04 0.43974E-01 -0.11968E-03 2934 0.417E-01 0.829E-02
DAV: 2 -0.188805452575E+04 -0.34719E-03 -0.46839E-03 1952 0.700E-02 0.131E-01
DAV: 3 -0.188805434726E+04 0.17848E-03 -0.13476E-03 1992 0.341E-02 0.804E-02
DAV: 4 -0.188805427768E+04 0.69585E-04 -0.26725E-04 1904 0.158E-02 0.304E-02
DAV: 5 -0.188805427213E+04 0.55440E-05 -0.59635E-05 1520 0.778E-03
682 T= 2465. E= -.17857873E+04 F= -.18880543E+04 E0= -.18880704E+04 EK= 0.10227E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.188802592883E+04 0.28349E-01 -0.87251E-04 2846 0.417E-01 0.902E-02
DAV: 2 -0.188802633556E+04 -0.40673E-03 -0.56447E-03 1936 0.705E-02 0.148E-01
DAV: 3 -0.188802606161E+04 0.27394E-03 -0.18201E-03 2022 0.355E-02 0.786E-02
DAV: 4 -0.188802599834E+04 0.63269E-04 -0.27525E-04 1856 0.169E-02 0.336E-02
DAV: 5 -0.188802599154E+04 0.68019E-05 -0.68449E-05 1568 0.812E-03
683 T= 2464. E= -.17857872E+04 F= -.18880260E+04 E0= -.18880422E+04 EK= 0.10224E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.188801464900E+04 0.11349E-01 -0.93976E-04 2958 0.416E-01 0.846E-02
DAV: 2 -0.188801493830E+04 -0.28930E-03 -0.43638E-03 1944 0.670E-02 0.121E-01
DAV: 3 -0.188801481478E+04 0.12352E-03 -0.12779E-03 2046 0.316E-02 0.816E-02
DAV: 4 -0.188801474000E+04 0.74781E-04 -0.26878E-04 1912 0.159E-02 0.297E-02
DAV: 5 -0.188801473535E+04 0.46523E-05 -0.72070E-05 1512 0.795E-03
684 T= 2464. E= -.17857872E+04 F= -.18880147E+04 E0= -.18880308E+04 EK= 0.10223E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.188802096840E+04 -0.62284E-02 -0.76442E-04 2878 0.415E-01 0.839E-02
DAV: 2 -0.188802135851E+04 -0.39011E-03 -0.45955E-03 1928 0.682E-02 0.156E-01
DAV: 3 -0.188802106638E+04 0.29213E-03 -0.18605E-03 2040 0.359E-02 0.672E-02
DAV: 4 -0.188802102237E+04 0.44004E-04 -0.24865E-04 1856 0.156E-02 0.314E-02
DAV: 5 -0.188802101450E+04 0.78694E-05 -0.58184E-05 1408 0.754E-03
685 T= 2464. E= -.17857872E+04 F= -.18880210E+04 E0= -.18880372E+04 EK= 0.10223E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.188804437275E+04 -0.23350E-01 -0.67780E-04 2902 0.416E-01 0.770E-02
DAV: 2 -0.188804470953E+04 -0.33678E-03 -0.40782E-03 1952 0.616E-02 0.142E-01
DAV: 3 -0.188804448920E+04 0.22033E-03 -0.13684E-03 2008 0.322E-02 0.737E-02
DAV: 4 -0.188804443326E+04 0.55939E-04 -0.23537E-04 1872 0.152E-02 0.267E-02
DAV: 5 -0.188804442835E+04 0.49147E-05 -0.56487E-05 1424 0.733E-03
686 T= 2464. E= -.17857873E+04 F= -.18880444E+04 E0= -.18880609E+04 EK= 0.10226E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.188808378318E+04 -0.39350E-01 -0.10049E-03 2854 0.418E-01 0.793E-02
DAV: 2 -0.188808429024E+04 -0.50706E-03 -0.60786E-03 1960 0.633E-02 0.169E-01
DAV: 3 -0.188808389807E+04 0.39217E-03 -0.21276E-03 2040 0.326E-02 0.646E-02
DAV: 4 -0.188808386598E+04 0.32091E-04 -0.22245E-04 1856 0.145E-02 0.314E-02
DAV: 5 -0.188808385936E+04 0.66223E-05 -0.49342E-05 1272 0.693E-03
687 T= 2465. E= -.17857874E+04 F= -.18880839E+04 E0= -.18881006E+04 EK= 0.10230E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.188813749631E+04 -0.53630E-01 -0.11002E-03 2950 0.415E-01 0.805E-02
DAV: 2 -0.188813783129E+04 -0.33498E-03 -0.44158E-03 1960 0.638E-02 0.137E-01
DAV: 3 -0.188813763146E+04 0.19983E-03 -0.13162E-03 2008 0.305E-02 0.754E-02
DAV: 4 -0.188813757042E+04 0.61042E-04 -0.24741E-04 1888 0.154E-02 0.326E-02
DAV: 5 -0.188813756219E+04 0.82252E-05 -0.79105E-05 1624 0.822E-03
688 T= 2467. E= -.17857875E+04 F= -.18881376E+04 E0= -.18881545E+04 EK= 0.10235E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.188820326448E+04 -0.65694E-01 -0.12586E-03 2886 0.415E-01 0.870E-02
DAV: 2 -0.188820380843E+04 -0.54395E-03 -0.63687E-03 1944 0.713E-02 0.181E-01
DAV: 3 -0.188820339698E+04 0.41145E-03 -0.22331E-03 2054 0.377E-02 0.767E-02
DAV: 4 -0.188820334507E+04 0.51912E-04 -0.28989E-04 1864 0.167E-02 0.320E-02
DAV: 5 -0.188820333933E+04 0.57412E-05 -0.57323E-05 1496 0.728E-03
689 T= 2468. E= -.17857877E+04 F= -.18882033E+04 E0= -.18882205E+04 EK= 0.10242E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.188827874211E+04 -0.75397E-01 -0.97157E-04 2950 0.415E-01 0.886E-02
DAV: 2 -0.188827919353E+04 -0.45142E-03 -0.54908E-03 1968 0.703E-02 0.167E-01
DAV: 3 -0.188827889323E+04 0.30030E-03 -0.18763E-03 2040 0.356E-02 0.851E-02
DAV: 4 -0.188827881981E+04 0.73425E-04 -0.30075E-04 1856 0.171E-02 0.306E-02
DAV: 5 -0.188827881496E+04 0.48493E-05 -0.79930E-05 1664 0.830E-03
690 T= 2470. E= -.17857878E+04 F= -.18882788E+04 E0= -.18882960E+04 EK= 0.10249E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.188836153451E+04 -0.82715E-01 -0.87218E-04 2886 0.415E-01 0.864E-02
DAV: 2 -0.188836191669E+04 -0.38218E-03 -0.52326E-03 1960 0.665E-02 0.155E-01
DAV: 3 -0.188836164577E+04 0.27092E-03 -0.18293E-03 2072 0.329E-02 0.788E-02
DAV: 4 -0.188836158527E+04 0.60501E-04 -0.25913E-04 1904 0.162E-02 0.329E-02
DAV: 5 -0.188836157742E+04 0.78435E-05 -0.79968E-05 1504 0.772E-03
691 T= 2472. E= -.17857880E+04 F= -.18883616E+04 E0= -.18883789E+04 EK= 0.10257E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.188844924682E+04 -0.87662E-01 -0.84093E-04 2982 0.414E-01 0.812E-02
DAV: 2 -0.188844954706E+04 -0.30025E-03 -0.35562E-03 1976 0.628E-02 0.125E-01
DAV: 3 -0.188844938980E+04 0.15726E-03 -0.60533E-04 2014 0.310E-02 0.822E-02
DAV: 4 -0.188844931602E+04 0.73777E-04 -0.22989E-04 1920 0.153E-02 0.275E-02
DAV: 5 -0.188844931212E+04 0.38952E-05 -0.44265E-05 1472 0.742E-03
692 T= 2474. E= -.17857881E+04 F= -.18884493E+04 E0= -.18884669E+04 EK= 0.10266E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.188853992406E+04 -0.90608E-01 -0.10514E-03 2886 0.416E-01 0.807E-02
DAV: 2 -0.188854038352E+04 -0.45946E-03 -0.57275E-03 1992 0.649E-02 0.159E-01
DAV: 3 -0.188854004682E+04 0.33670E-03 -0.17934E-03 2008 0.321E-02 0.706E-02
DAV: 4 -0.188854000113E+04 0.45692E-04 -0.22418E-04 1856 0.151E-02 0.315E-02
DAV: 5 -0.188853999445E+04 0.66765E-05 -0.51087E-05 1328 0.709E-03
693 T= 2476. E= -.17857882E+04 F= -.18885400E+04 E0= -.18885579E+04 EK= 0.10275E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.188863185609E+04 -0.91855E-01 -0.11326E-03 2966 0.414E-01 0.782E-02
DAV: 2 -0.188863219986E+04 -0.34377E-03 -0.45549E-03 1984 0.646E-02 0.139E-01
DAV: 3 -0.188863199911E+04 0.20075E-03 -0.12927E-03 2024 0.309E-02 0.794E-02
DAV: 4 -0.188863192879E+04 0.70318E-04 -0.23534E-04 1888 0.156E-02 0.303E-02
DAV: 5 -0.188863192237E+04 0.64222E-05 -0.61512E-05 1600 0.785E-03
694 T= 2479. E= -.17857883E+04 F= -.18886319E+04 E0= -.18886502E+04 EK= 0.10284E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.188872366160E+04 -0.91733E-01 -0.12425E-03 2926 0.415E-01 0.859E-02
DAV: 2 -0.188872416547E+04 -0.50387E-03 -0.44709E-03 1920 0.676E-02 0.169E-01
DAV: 3 -0.188872379551E+04 0.36996E-03 -0.11486E-03 2022 0.337E-02 0.754E-02
DAV: 4 -0.188872374100E+04 0.54512E-04 -0.24674E-04 1880 0.163E-02 0.332E-02
DAV: 5 -0.188872373397E+04 0.70268E-05 -0.51029E-05 1488 0.739E-03
695 T= 2481. E= -.17857883E+04 F= -.18887237E+04 E0= -.18887423E+04 EK= 0.10294E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.188881443028E+04 -0.90689E-01 -0.70239E-04 2902 0.415E-01 0.870E-02
DAV: 2 -0.188881479145E+04 -0.36117E-03 -0.40062E-03 1960 0.682E-02 0.148E-01
DAV: 3 -0.188881457921E+04 0.21225E-03 -0.89995E-04 2032 0.337E-02 0.869E-02
DAV: 4 -0.188881450116E+04 0.78045E-04 -0.26087E-04 1888 0.169E-02 0.297E-02
DAV: 5 -0.188881449719E+04 0.39713E-05 -0.75210E-05 1672 0.824E-03
696 T= 2483. E= -.17857883E+04 F= -.18888145E+04 E0= -.18888332E+04 EK= 0.10303E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.188890361805E+04 -0.89117E-01 -0.86718E-04 2862 0.416E-01 0.876E-02
DAV: 2 -0.188890403101E+04 -0.41296E-03 -0.52575E-03 1960 0.680E-02 0.157E-01
DAV: 3 -0.188890373109E+04 0.29992E-03 -0.18102E-03 2030 0.342E-02 0.786E-02
DAV: 4 -0.188890366803E+04 0.63063E-04 -0.25846E-04 1872 0.166E-02 0.331E-02
DAV: 5 -0.188890365994E+04 0.80855E-05 -0.58927E-05 1536 0.784E-03
697 T= 2485. E= -.17857883E+04 F= -.18889037E+04 E0= -.18889225E+04 EK= 0.10312E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.188899093372E+04 -0.87266E-01 -0.78453E-04 2918 0.415E-01 0.814E-02
DAV: 2 -0.188899124682E+04 -0.31310E-03 -0.42861E-03 1976 0.631E-02 0.135E-01
DAV: 3 -0.188899106526E+04 0.18156E-03 -0.14066E-03 2008 0.310E-02 0.819E-02
DAV: 4 -0.188899099108E+04 0.74185E-04 -0.23779E-04 1880 0.161E-02 0.290E-02
DAV: 5 -0.188899098571E+04 0.53681E-05 -0.76974E-05 1544 0.756E-03
698 T= 2487. E= -.17857883E+04 F= -.18889910E+04 E0= -.18890101E+04 EK= 0.10320E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.188907644889E+04 -0.85458E-01 -0.82179E-04 2894 0.416E-01 0.733E-02
DAV: 2 -0.188907677602E+04 -0.32713E-03 -0.34017E-03 1960 0.608E-02 0.131E-01
DAV: 3 -0.188907660107E+04 0.17495E-03 -0.63696E-04 2078 0.289E-02 0.757E-02
DAV: 4 -0.188907654279E+04 0.58278E-04 -0.18057E-04 1880 0.147E-02 0.284E-02
DAV: 5 -0.188907653927E+04 0.35195E-05 -0.36666E-05 1296 0.641E-03
699 T= 2489. E= -.17857883E+04 F= -.18890765E+04 E0= -.18890960E+04 EK= 0.10329E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.188916060268E+04 -0.84060E-01 -0.80381E-04 2910 0.415E-01 0.764E-02
DAV: 2 -0.188916093202E+04 -0.32934E-03 -0.39131E-03 2016 0.620E-02 0.133E-01
DAV: 3 -0.188916075438E+04 0.17764E-03 -0.10821E-03 2072 0.291E-02 0.792E-02
DAV: 4 -0.188916068442E+04 0.69963E-04 -0.21668E-04 1888 0.153E-02 0.300E-02
DAV: 5 -0.188916067873E+04 0.56922E-05 -0.53335E-05 1496 0.773E-03
700 T= 2491. E= -.17857883E+04 F= -.18891607E+04 E0= -.18891806E+04 EK= 0.10337E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.188924380652E+04 -0.83122E-01 -0.68370E-04 2894 0.417E-01 0.801E-02
DAV: 2 -0.188924419425E+04 -0.38774E-03 -0.43581E-03 1952 0.669E-02 0.150E-01
DAV: 3 -0.188924396358E+04 0.23067E-03 -0.95430E-04 1998 0.329E-02 0.856E-02
DAV: 4 -0.188924389232E+04 0.71258E-04 -0.22658E-04 1840 0.168E-02 0.319E-02
DAV: 5 -0.188924388718E+04 0.51427E-05 -0.52226E-05 1536 0.740E-03
701 T= 2493. E= -.17857882E+04 F= -.18892439E+04 E0= -.18892641E+04 EK= 0.10346E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.188932664665E+04 -0.82754E-01 -0.77194E-04 2910 0.415E-01 0.817E-02
DAV: 2 -0.188932705941E+04 -0.41276E-03 -0.41854E-03 1976 0.697E-02 0.144E-01
DAV: 3 -0.188932686390E+04 0.19551E-03 -0.52753E-04 2014 0.323E-02 0.926E-02
DAV: 4 -0.188932677925E+04 0.84646E-04 -0.21997E-04 1888 0.168E-02 0.325E-02
DAV: 5 -0.188932677614E+04 0.31152E-05 -0.43234E-05 1600 0.761E-03
702 T= 2495. E= -.17857881E+04 F= -.18893268E+04 E0= -.18893472E+04 EK= 0.10354E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.188940999716E+04 -0.83218E-01 -0.93847E-04 2902 0.418E-01 0.880E-02
DAV: 2 -0.188941041916E+04 -0.42200E-03 -0.52847E-03 1936 0.744E-02 0.139E-01
DAV: 3 -0.188941020849E+04 0.21067E-03 -0.12375E-03 2024 0.332E-02 0.854E-02
DAV: 4 -0.188941012832E+04 0.80175E-04 -0.25289E-04 1904 0.169E-02 0.354E-02
DAV: 5 -0.188941012228E+04 0.60393E-05 -0.40640E-05 1512 0.745E-03
703 T= 2497. E= -.17857881E+04 F= -.18894101E+04 E0= -.18894305E+04 EK= 0.10362E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.188949454247E+04 -0.84414E-01 -0.84665E-04 2870 0.416E-01 0.972E-02
DAV: 2 -0.188949497027E+04 -0.42781E-03 -0.55130E-03 1936 0.792E-02 0.148E-01
DAV: 3 -0.188949476179E+04 0.20849E-03 -0.12228E-03 2046 0.373E-02 0.984E-02
DAV: 4 -0.188949466404E+04 0.97747E-04 -0.28108E-04 1912 0.185E-02 0.351E-02
DAV: 5 -0.188949466004E+04 0.40053E-05 -0.56768E-05 1566 0.769E-03
704 T= 2499. E= -.17857881E+04 F= -.18894947E+04 E0= -.18895151E+04 EK= 0.10371E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.188958106257E+04 -0.86399E-01 -0.10387E-03 2910 0.418E-01 0.984E-02
DAV: 2 -0.188958147326E+04 -0.41069E-03 -0.54069E-03 1904 0.821E-02 0.140E-01
DAV: 3 -0.188958133698E+04 0.13628E-03 -0.69085E-04 2048 0.372E-02 0.110E-01
DAV: 4 -0.188958120996E+04 0.12703E-03 -0.26710E-04 1920 0.193E-02 0.329E-02
DAV: 5 -0.188958121031E+04 -0.35411E-06 -0.55697E-05 1680 0.811E-03
705 T= 2501. E= -.17857880E+04 F= -.18895812E+04 E0= -.18896015E+04 EK= 0.10379E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.188967053767E+04 -0.89328E-01 -0.98117E-04 2886 0.416E-01 0.101E-01
DAV: 2 -0.188967092215E+04 -0.38448E-03 -0.57281E-03 1944 0.790E-02 0.146E-01
DAV: 3 -0.188967074191E+04 0.18023E-03 -0.22533E-03 2086 0.352E-02 0.987E-02
DAV: 4 -0.188967061947E+04 0.12244E-03 -0.41661E-04 1968 0.190E-02 0.349E-02
DAV: 5 -0.188967061322E+04 0.62553E-05 -0.66004E-05 1716 0.856E-03
706 T= 2504. E= -.17857879E+04 F= -.18896706E+04 E0= -.18896905E+04 EK= 0.10388E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.188976353800E+04 -0.92919E-01 -0.58073E-04 2872 0.418E-01 0.959E-02
DAV: 2 -0.188976380284E+04 -0.26483E-03 -0.43999E-03 1912 0.745E-02 0.127E-01
DAV: 3 -0.188976369225E+04 0.11059E-03 -0.10231E-03 2102 0.349E-02 0.102E-01
DAV: 4 -0.188976356728E+04 0.12497E-03 -0.27599E-04 1952 0.187E-02 0.302E-02
DAV: 5 -0.188976356156E+04 0.57193E-05 -0.60800E-05 1720 0.881E-03
707 T= 2506. E= -.17857878E+04 F= -.18897636E+04 E0= -.18897823E+04 EK= 0.10398E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.188986073036E+04 -0.97163E-01 -0.46582E-04 2862 0.427E-01 0.855E-02
DAV: 2 -0.188986123412E+04 -0.50376E-03 -0.48439E-03 1952 0.694E-02 0.180E-01
DAV: 3 -0.188986085122E+04 0.38290E-03 -0.17849E-03 2056 0.349E-02 0.724E-02
DAV: 4 -0.188986080652E+04 0.44701E-04 -0.17717E-04 1832 0.163E-02 0.325E-02
DAV: 5 -0.188986080064E+04 0.58780E-05 -0.58296E-05 1520 0.723E-03
708 T= 2508. E= -.17857876E+04 F= -.18898608E+04 E0= -.18898775E+04 EK= 0.10407E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.188996347445E+04 -0.10267E+00 -0.92479E-04 2934 0.435E-01 0.828E-02
DAV: 2 -0.188996368854E+04 -0.21409E-03 -0.40872E-03 1952 0.675E-02 0.141E-01
DAV: 3 -0.188996346999E+04 0.21855E-03 -0.10643E-03 1992 0.333E-02 0.800E-02
DAV: 4 -0.188996338174E+04 0.88254E-04 -0.20561E-04 1888 0.188E-02 0.394E-02
DAV: 5 -0.188996335321E+04 0.28524E-04 -0.15321E-04 1888 0.140E-02 0.405E-02
DAV: 6 -0.188996326610E+04 0.87114E-04 -0.17087E-04 2112 0.228E-02 0.225E-02
DAV: 7 -0.188996322950E+04 0.36596E-04 -0.10271E-04 2056 0.192E-02 0.220E-02
DAV: 8 -0.188996321781E+04 0.11693E-04 -0.66703E-05 1800 0.118E-02 0.229E-02
DAV: 9 -0.188996320582E+04 0.11994E-04 -0.14151E-05 1192 0.708E-03 0.128E-02
DAV: 10 -0.188996319821E+04 0.76022E-05 -0.14179E-05 1256 0.717E-03
709 T= 2511. E= -.17857875E+04 F= -.18899632E+04 E0= -.18899795E+04 EK= 0.10418E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189007135049E+04 -0.10814E+00 -0.64366E-04 2814 0.422E-01 0.579E-02
DAV: 2 -0.189007146138E+04 -0.11089E-03 -0.20994E-03 2040 0.404E-02 0.862E-02
DAV: 3 -0.189007137324E+04 0.88139E-04 -0.57056E-04 2006 0.191E-02 0.502E-02
DAV: 4 -0.189007134217E+04 0.31072E-04 -0.78072E-05 1800 0.117E-02 0.335E-02
DAV: 5 -0.189007132514E+04 0.17034E-04 -0.75683E-05 1400 0.109E-02 0.327E-02
DAV: 6 -0.189007128147E+04 0.43663E-04 -0.10516E-04 2024 0.201E-02 0.204E-02
DAV: 7 -0.189007127516E+04 0.63170E-05 -0.92320E-05 1816 0.117E-02
710 T= 2513. E= -.17857875E+04 F= -.18900713E+04 E0= -.18900878E+04 EK= 0.10428E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189018554992E+04 -0.11427E+00 -0.64402E-04 2838 0.419E-01 0.518E-02
DAV: 2 -0.189018565411E+04 -0.10419E-03 -0.18114E-03 2048 0.356E-02 0.723E-02
DAV: 3 -0.189018558491E+04 0.69205E-04 -0.46109E-04 1958 0.139E-02 0.392E-02
DAV: 4 -0.189018556663E+04 0.18275E-04 -0.29567E-05 1256 0.761E-03 0.282E-02
DAV: 5 -0.189018556001E+04 0.66194E-05 -0.57437E-05 1296 0.907E-03
711 T= 2516. E= -.17857876E+04 F= -.18901856E+04 E0= -.18902024E+04 EK= 0.10440E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189030633356E+04 -0.12077E+00 -0.48234E-04 2838 0.417E-01 0.770E-02
DAV: 2 -0.189030702258E+04 -0.68902E-03 -0.27556E-03 2088 0.564E-02 0.235E-01
DAV: 3 -0.189030633053E+04 0.69205E-03 -0.77990E-04 2152 0.343E-02 0.563E-02
DAV: 4 -0.189030634053E+04 -0.10002E-04 -0.14131E-04 1848 0.128E-02 0.342E-02
DAV: 5 -0.189030633228E+04 0.82520E-05 -0.35101E-05 1352 0.669E-03
712 T= 2519. E= -.17857875E+04 F= -.18903063E+04 E0= -.18903226E+04 EK= 0.10452E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189043388837E+04 -0.12755E+00 -0.56583E-04 2846 0.419E-01 0.903E-02
DAV: 2 -0.189043477852E+04 -0.89015E-03 -0.38377E-03 2136 0.628E-02 0.260E-01
DAV: 3 -0.189043393335E+04 0.84517E-03 -0.12022E-03 2184 0.381E-02 0.662E-02
DAV: 4 -0.189043393647E+04 -0.31251E-05 -0.20445E-04 1840 0.145E-02 0.293E-02
DAV: 5 -0.189043393029E+04 0.61786E-05 -0.50480E-05 1616 0.806E-03
713 T= 2522. E= -.17857875E+04 F= -.18904339E+04 E0= -.18904497E+04 EK= 0.10465E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189056860196E+04 -0.13467E+00 -0.73089E-04 2862 0.422E-01 0.856E-02
DAV: 2 -0.189056903162E+04 -0.42966E-03 -0.46136E-03 2016 0.593E-02 0.169E-01
DAV: 3 -0.189056868174E+04 0.34987E-03 -0.16978E-03 2054 0.310E-02 0.650E-02
DAV: 4 -0.189056865520E+04 0.26543E-04 -0.14444E-04 1880 0.156E-02 0.362E-02
DAV: 5 -0.189056864056E+04 0.14637E-04 -0.12691E-04 1702 0.979E-03 0.183E-02
DAV: 6 -0.189056863164E+04 0.89262E-05 -0.56923E-05 1320 0.966E-03
714 T= 2525. E= -.17857875E+04 F= -.18905686E+04 E0= -.18905836E+04 EK= 0.10478E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189071048825E+04 -0.14185E+00 -0.70335E-04 2838 0.419E-01 0.656E-02
DAV: 2 -0.189071090417E+04 -0.41592E-03 -0.46729E-03 2016 0.491E-02 0.157E-01
DAV: 3 -0.189071053831E+04 0.36586E-03 -0.21187E-03 2112 0.252E-02 0.410E-02
DAV: 4 -0.189071051884E+04 0.19469E-04 -0.99179E-05 1752 0.115E-02 0.224E-02
DAV: 5 -0.189071051046E+04 0.83758E-05 -0.51184E-05 1320 0.813E-03
715 T= 2529. E= -.17857875E+04 F= -.18907105E+04 E0= -.18907256E+04 EK= 0.10492E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189085946739E+04 -0.14895E+00 -0.36803E-04 2702 0.420E-01 0.652E-02
DAV: 2 -0.189086009529E+04 -0.62790E-03 -0.58660E-03 2048 0.490E-02 0.208E-01
DAV: 3 -0.189085950962E+04 0.58568E-03 -0.22133E-03 2096 0.286E-02 0.471E-02
DAV: 4 -0.189085951481E+04 -0.51918E-05 -0.11134E-04 1744 0.994E-03 0.280E-02
DAV: 5 -0.189085951000E+04 0.48048E-05 -0.26313E-05 1072 0.573E-03
716 T= 2532. E= -.17857875E+04 F= -.18908595E+04 E0= -.18908748E+04 EK= 0.10507E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189101555767E+04 -0.15604E+00 -0.58350E-04 2910 0.423E-01 0.783E-02
DAV: 2 -0.189101634787E+04 -0.79020E-03 -0.48885E-03 1992 0.619E-02 0.247E-01
DAV: 3 -0.189101563799E+04 0.70988E-03 -0.14104E-03 2072 0.342E-02 0.623E-02
DAV: 4 -0.189101563812E+04 -0.13517E-06 -0.14310E-04 1800 0.131E-02 0.345E-02
DAV: 5 -0.189101563338E+04 0.47401E-05 -0.23435E-05 1152 0.557E-03
717 T= 2536. E= -.17857875E+04 F= -.18910156E+04 E0= -.18910312E+04 EK= 0.10523E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189117851197E+04 -0.16287E+00 -0.74451E-04 2886 0.423E-01 0.974E-02
DAV: 2 -0.189117906408E+04 -0.55211E-03 -0.56631E-03 1912 0.792E-02 0.182E-01
DAV: 3 -0.189117871688E+04 0.34720E-03 -0.10127E-03 2016 0.370E-02 0.942E-02
DAV: 4 -0.189117863344E+04 0.83441E-04 -0.18873E-04 1912 0.195E-02 0.380E-02
DAV: 5 -0.189117862252E+04 0.10925E-04 -0.78300E-05 1704 0.937E-03 0.261E-02
DAV: 6 -0.189117859734E+04 0.25182E-04 -0.53780E-05 1688 0.116E-02 0.191E-02
DAV: 7 -0.189117858091E+04 0.16430E-04 -0.10581E-04 1760 0.125E-02 0.175E-02
DAV: 8 -0.189117856901E+04 0.11895E-04 -0.49989E-05 1352 0.105E-02 0.145E-02
DAV: 9 -0.189117855685E+04 0.12161E-04 -0.15700E-05 1360 0.134E-02 0.141E-02
DAV: 10 -0.189117855511E+04 0.17410E-05 -0.39030E-05 1632 0.803E-03
718 T= 2540. E= -.17857875E+04 F= -.18911786E+04 E0= -.18911938E+04 EK= 0.10539E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189134816703E+04 -0.16961E+00 -0.41183E-04 2782 0.428E-01 0.588E-02
DAV: 2 -0.189134831459E+04 -0.14756E-03 -0.22527E-03 1968 0.474E-02 0.930E-02
DAV: 3 -0.189134822243E+04 0.92161E-04 -0.45227E-04 2032 0.226E-02 0.536E-02
DAV: 4 -0.189134818616E+04 0.36269E-04 -0.89182E-05 1864 0.135E-02 0.286E-02
DAV: 5 -0.189134817121E+04 0.14955E-04 -0.59627E-05 1696 0.993E-03 0.264E-02
DAV: 6 -0.189134814014E+04 0.31064E-04 -0.84450E-05 1528 0.142E-02 0.205E-02
DAV: 7 -0.189134812369E+04 0.16458E-04 -0.11848E-04 1808 0.125E-02 0.183E-02
DAV: 8 -0.189134811432E+04 0.93644E-05 -0.41034E-05 1312 0.906E-03
719 T= 2544. E= -.17857875E+04 F= -.18913481E+04 E0= -.18913632E+04 EK= 0.10556E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189152385119E+04 -0.17573E+00 -0.13677E-04 2110 0.421E-01 0.463E-02
DAV: 2 -0.189152391282E+04 -0.61630E-04 -0.10334E-03 2000 0.307E-02 0.542E-02
DAV: 3 -0.189152389242E+04 0.20403E-04 -0.21036E-04 1918 0.116E-02 0.362E-02
DAV: 4 -0.189152388496E+04 0.74575E-05 -0.42094E-05 1168 0.589E-03
720 T= 2548. E= -.17857876E+04 F= -.18915239E+04 E0= -.18915391E+04 EK= 0.10574E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189170545603E+04 -0.18156E+00 -0.87981E-04 2748 0.422E-01 0.897E-02
DAV: 2 -0.189170617379E+04 -0.71776E-03 -0.84823E-03 2080 0.571E-02 0.210E-01
DAV: 3 -0.189170548504E+04 0.68875E-03 -0.35688E-03 2168 0.336E-02 0.587E-02
DAV: 4 -0.189170545658E+04 0.28462E-04 -0.24138E-04 1800 0.123E-02 0.262E-02
DAV: 5 -0.189170545234E+04 0.42340E-05 -0.46941E-05 1320 0.702E-03
721 T= 2553. E= -.17857876E+04 F= -.18917055E+04 E0= -.18917208E+04 EK= 0.10592E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189189239013E+04 -0.18693E+00 -0.44143E-04 2276 0.423E-01 0.104E-01
DAV: 2 -0.189189319343E+04 -0.80330E-03 -0.61434E-03 2072 0.621E-02 0.255E-01
DAV: 3 -0.189189237050E+04 0.82293E-03 -0.26942E-03 2120 0.394E-02 0.698E-02
DAV: 4 -0.189189237098E+04 -0.48104E-06 -0.27907E-04 1864 0.157E-02 0.394E-02
DAV: 5 -0.189189235291E+04 0.18068E-04 -0.17552E-04 1728 0.102E-02 0.185E-02
DAV: 6 -0.189189235585E+04 -0.29324E-05 -0.87383E-05 1264 0.717E-03
722 T= 2557. E= -.17857877E+04 F= -.18918924E+04 E0= -.18919079E+04 EK= 0.10610E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189208398194E+04 -0.19163E+00 -0.38233E-04 2668 0.423E-01 0.662E-02
DAV: 2 -0.189208435300E+04 -0.37107E-03 -0.19417E-03 2096 0.441E-02 0.160E-01
DAV: 3 -0.189208404026E+04 0.31274E-03 -0.36903E-04 2128 0.251E-02 0.498E-02
DAV: 4 -0.189208403066E+04 0.96034E-05 -0.13972E-04 1688 0.104E-02 0.235E-02
DAV: 5 -0.189208402609E+04 0.45742E-05 -0.49867E-05 1200 0.691E-03
723 T= 2562. E= -.17857877E+04 F= -.18920840E+04 E0= -.18921001E+04 EK= 0.10630E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189227989681E+04 -0.19587E+00 -0.44977E-04 2452 0.423E-01 0.473E-02
DAV: 2 -0.189228022098E+04 -0.32417E-03 -0.27045E-03 2096 0.356E-02 0.137E-01
DAV: 3 -0.189227994800E+04 0.27298E-03 -0.10670E-03 2080 0.201E-02 0.316E-02
DAV: 4 -0.189227994502E+04 0.29849E-05 -0.48732E-05 1488 0.658E-03
724 T= 2567. E= -.17857877E+04 F= -.18922799E+04 E0= -.18922961E+04 EK= 0.10649E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189247948308E+04 -0.19954E+00 -0.41561E-04 2606 0.424E-01 0.676E-02
DAV: 2 -0.189247983733E+04 -0.35426E-03 -0.41851E-03 1992 0.470E-02 0.141E-01
DAV: 3 -0.189247954711E+04 0.29023E-03 -0.21810E-03 2024 0.226E-02 0.435E-02
DAV: 4 -0.189247952681E+04 0.20302E-04 -0.12421E-04 1720 0.114E-02 0.243E-02
DAV: 5 -0.189247952289E+04 0.39192E-05 -0.30798E-05 1208 0.638E-03
725 T= 2571. E= -.17857878E+04 F= -.18924795E+04 E0= -.18924958E+04 EK= 0.10669E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189268208541E+04 -0.20256E+00 -0.53065E-04 2790 0.425E-01 0.752E-02
DAV: 2 -0.189268251675E+04 -0.43134E-03 -0.32413E-03 1936 0.554E-02 0.178E-01
DAV: 3 -0.189268215433E+04 0.36242E-03 -0.72198E-04 2040 0.295E-02 0.600E-02
DAV: 4 -0.189268213599E+04 0.18334E-04 -0.12937E-04 1816 0.132E-02 0.237E-02
DAV: 5 -0.189268213082E+04 0.51742E-05 -0.46786E-05 1400 0.641E-03
726 T= 2576. E= -.17857878E+04 F= -.18926821E+04 E0= -.18926988E+04 EK= 0.10689E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189288706234E+04 -0.20493E+00 -0.53082E-04 2822 0.426E-01 0.694E-02
DAV: 2 -0.189288743453E+04 -0.37219E-03 -0.30416E-03 1936 0.526E-02 0.161E-01
DAV: 3 -0.189288714638E+04 0.28815E-03 -0.83585E-04 2078 0.275E-02 0.560E-02
DAV: 4 -0.189288712875E+04 0.17626E-04 -0.87124E-05 1784 0.122E-02 0.240E-02
DAV: 5 -0.189288712468E+04 0.40665E-05 -0.29070E-05 1264 0.605E-03
727 T= 2581. E= -.17857879E+04 F= -.18928871E+04 E0= -.18929046E+04 EK= 0.10710E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189309378139E+04 -0.20665E+00 -0.31127E-04 2814 0.428E-01 0.615E-02
DAV: 2 -0.189309394664E+04 -0.16525E-03 -0.23102E-03 1944 0.487E-02 0.859E-02
DAV: 3 -0.189309387791E+04 0.68731E-04 -0.53777E-04 2032 0.225E-02 0.589E-02
DAV: 4 -0.189309384145E+04 0.36462E-04 -0.75485E-05 1792 0.111E-02 0.228E-02
DAV: 5 -0.189309383712E+04 0.43295E-05 -0.21293E-05 1104 0.547E-03
728 T= 2586. E= -.17857879E+04 F= -.18930938E+04 E0= -.18931130E+04 EK= 0.10731E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189330137458E+04 -0.20753E+00 0.40643E-04 2822 0.435E-01 0.657E-02
DAV: 2 -0.189330146310E+04 -0.88515E-04 -0.25244E-03 1920 0.517E-02 0.746E-02
DAV: 3 -0.189330141719E+04 0.45907E-04 -0.48643E-04 2054 0.220E-02 0.679E-02
DAV: 4 -0.189330135219E+04 0.65005E-04 -0.57646E-05 1856 0.129E-02 0.299E-02
DAV: 5 -0.189330133470E+04 0.17482E-04 -0.37405E-05 1384 0.708E-03 0.244E-02
DAV: 6 -0.189330129148E+04 0.43224E-04 -0.72127E-06 1360 0.976E-03 0.221E-02
DAV: 7 -0.189330124198E+04 0.49504E-04 -0.29673E-05 1744 0.136E-02 0.178E-02
DAV: 8 -0.189330116832E+04 0.73661E-04 -0.57471E-05 2184 0.313E-02 0.156E-02
DAV: 9 -0.189330118207E+04 -0.13755E-04 -0.10714E-04 1768 0.109E-02 0.181E-02
DAV: 10 -0.189330117387E+04 0.82035E-05 -0.15198E-05 1208 0.728E-03
729 T= 2591. E= -.17857874E+04 F= -.18933012E+04 E0= -.18933248E+04 EK= 0.10751E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189353792421E+04 -0.23674E+00 -0.17783E-01 2452 0.515E-01 0.147E+00
DAV: 2 -0.189354825436E+04 -0.10330E-01 -0.24771E+00 2448 0.772E-01 0.137E+00
DAV: 3 -0.189354831217E+04 -0.57809E-04 -0.42187E-01 2104 0.433E-01 0.145E+00
DAV: 4 -0.189351677454E+04 0.31538E-01 -0.18749E-01 2136 0.248E-01 0.499E-01
DAV: 5 -0.189351531308E+04 0.14615E-02 -0.19057E-02 1952 0.127E-01 0.444E-01
DAV: 6 -0.189351165254E+04 0.36605E-02 -0.87803E-03 1912 0.842E-02 0.168E-01
DAV: 7 -0.189351124539E+04 0.40715E-03 -0.36660E-03 1976 0.545E-02 0.168E-01
DAV: 8 -0.189351095557E+04 0.28982E-03 -0.21097E-03 1968 0.300E-02 0.138E-01
DAV: 9 -0.189351092335E+04 0.32224E-04 -0.19758E-04 1808 0.106E-02 0.124E-01
DAV: 10 -0.189351089685E+04 0.26497E-04 -0.57243E-05 1208 0.560E-03 0.112E-01
DAV: 11 -0.189351070110E+04 0.19575E-03 -0.41403E-04 2008 0.189E-02 0.713E-02
DAV: 12 -0.189351044634E+04 0.25476E-03 -0.52121E-04 2088 0.283E-02 0.574E-02
DAV: 13 -0.189351044845E+04 -0.21058E-05 -0.20738E-04 1768 0.115E-02 0.316E-02
DAV: 14 -0.189351044312E+04 0.53316E-05 -0.58403E-06 1112 0.258E-03
730 T= 2596. E= -.17857883E+04 F= -.18935104E+04 E0= -.18935277E+04 EK= 0.10772E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189374289605E+04 -0.23245E+00 0.38682E-02 2312 0.769E-01 0.414E-01
DAV: 2 -0.189372701144E+04 0.15885E-01 -0.19433E-02 2448 0.224E-01 0.397E-01
DAV: 3 -0.189372650260E+04 0.50884E-03 -0.20060E-02 1952 0.143E-01 0.525E-01
DAV: 4 -0.189372183264E+04 0.46700E-02 -0.48489E-03 2192 0.136E-01 0.257E-01
DAV: 5 -0.189372107099E+04 0.76164E-03 -0.53155E-03 1928 0.758E-02 0.183E-01
DAV: 6 -0.189372022201E+04 0.84898E-03 -0.29850E-03 2000 0.502E-02 0.106E-01
DAV: 7 -0.189371960070E+04 0.62131E-03 -0.25146E-03 2144 0.623E-02 0.114E-01
DAV: 8 -0.189371919767E+04 0.40304E-03 -0.20202E-03 2032 0.493E-02 0.699E-02
DAV: 9 -0.189371905193E+04 0.14574E-03 -0.59546E-04 2056 0.373E-02 0.581E-02
DAV: 10 -0.189371900644E+04 0.45488E-04 -0.24419E-04 1888 0.192E-02 0.457E-02
DAV: 11 -0.189371889555E+04 0.11088E-03 -0.85802E-05 1896 0.264E-02 0.234E-02
DAV: 12 -0.189371877426E+04 0.12130E-03 -0.16240E-04 2256 0.359E-02 0.215E-02
DAV: 13 -0.189371870647E+04 0.67783E-04 -0.20722E-04 2112 0.297E-02 0.216E-02
DAV: 14 -0.189371865113E+04 0.55346E-04 -0.10618E-04 2144 0.243E-02 0.236E-02
DAV: 15 -0.189371861478E+04 0.36350E-04 -0.56139E-05 1808 0.154E-02 0.199E-02
DAV: 16 -0.189371860734E+04 0.74326E-05 -0.19148E-05 1216 0.536E-03
731 T= 2601. E= -.17857882E+04 F= -.18937186E+04 E0= -.18937377E+04 EK= 0.10793E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189394476141E+04 -0.22615E+00 -0.46203E-02 2240 0.579E-01 0.113E+00
DAV: 2 -0.189394344775E+04 0.13137E-02 -0.13060E+00 2392 0.585E-01 0.976E-01
DAV: 3 -0.189394776655E+04 -0.43188E-02 -0.21922E-01 2056 0.327E-01 0.115E+00
DAV: 4 -0.189392929980E+04 0.18467E-01 -0.10539E-01 2120 0.190E-01 0.369E-01
DAV: 5 -0.189392893359E+04 0.36622E-03 -0.10713E-02 1952 0.943E-02 0.319E-01
DAV: 6 -0.189392714805E+04 0.17855E-02 -0.50774E-03 1920 0.612E-02 0.133E-01
DAV: 7 -0.189392702974E+04 0.11831E-03 -0.17420E-03 1976 0.385E-02 0.149E-01
DAV: 8 -0.189392688481E+04 0.14492E-03 -0.91154E-04 1960 0.206E-02 0.114E-01
DAV: 9 -0.189392685754E+04 0.27269E-04 -0.12487E-04 1720 0.850E-03 0.967E-02
DAV: 10 -0.189392678331E+04 0.74233E-04 -0.32055E-04 1848 0.189E-02 0.790E-02
DAV: 11 -0.189392658230E+04 0.20101E-03 -0.78861E-04 2056 0.269E-02 0.650E-02
DAV: 12 -0.189392654260E+04 0.39697E-04 -0.28635E-04 1832 0.148E-02 0.403E-02
DAV: 13 -0.189392654069E+04 0.19116E-05 -0.21010E-05 1120 0.454E-03
732 T= 2606. E= -.17857885E+04 F= -.18939265E+04 E0= -.18939436E+04 EK= 0.10814E+03 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.189413499407E+04 -0.20845E+00 0.79851E-03 2160 0.476E-01 0.137E-01
DAV: 2 -0.189413388558E+04 0.11085E-02 -0.20726E-03 2272 0.613E-02 0.106E-01
DAV: 3 -0.189413387838E+04 0.71987E-05 -0.12799E-03 1952 0.436E-02 0.177E-01
DAV: 4 -0.189413339423E+04 0.48415E-03 -0.34045E-04 2104 0.398E-02 0.774E-02
DAV: 5 -0.189413329929E+04 0.94938E-04 -0.37703E-04 1912 0.231E-02 0.528E-02
DAV: 6 -0.189413318163E+04 0.11766E-03 -0.91780E-05 1856 0.195E-02 0.387E-02
DAV: 7 -0.189413306450E+04 0.11713E-03 -0.58063E-05 1952 0.222E-02 0.335E-02
DAV: 8 -0.189413297005E+04 0.94456E-04 -0.17720E-04 2072 0.252E-02 0.298E-02
DAV: 9 -0.189413288601E+04 0.84041E-04 -0.12981E-04 2008 0.230E-02 0.243E-02
DAV: 10 -0.189413283775E+04 0.48260E-04 -0.86242E-05 1904 0.164E-02 0.256E-02
DAV: 11 -0.189413276946E+04 0.68289E-04 0.45843E-06 1456 0.162E-02 0.212E-02
DAV: 12 -0.189413272510E+04 0.44361E-04 -0.55867E-05 1768 0.121E-02 0.216E-02
DAV: 13 -0.189413281038E+04 -0.85288E-04 -0.19774E-05 1912 0.195E-02 0.278E-02
DAV: 14 -0.189413287495E+04 -0.64571E-04 -0.47699E-05 1944 0.170E-02 0.295E-02
DAV: 15 -0.189413301867E+04 -0.14371E-03 0.29795E-05 2352 0.405E-02 0.334E-02