N E dE d eps ncg rms rms(c)
DAV: 1 0.426661704682E+03 0.42666E+03 -0.16908E+04 712 0.804E+02
DAV: 2 -0.746897727218E+01 -0.43413E+03 -0.41856E+03 968 0.208E+02
DAV: 3 -0.118457907474E+03 -0.11099E+03 -0.11025E+03 768 0.116E+02
DAV: 4 -0.123713686051E+03 -0.52558E+01 -0.52233E+01 832 0.296E+01
DAV: 5 -0.123831589271E+03 -0.11790E+00 -0.11765E+00 944 0.407E+00 0.191E+01
DAV: 6 -0.114452708508E+03 0.93789E+01 -0.24440E+01 832 0.190E+01 0.983E+00
DAV: 7 -0.113075773016E+03 0.13769E+01 -0.27686E+00 888 0.841E+00 0.478E+00
DAV: 8 -0.112682049829E+03 0.39372E+00 -0.83625E-01 832 0.451E+00 0.156E+00
DAV: 9 -0.112611460173E+03 0.70590E-01 -0.13899E-01 920 0.193E+00 0.566E-01
DAV: 10 -0.112603887133E+03 0.75730E-02 -0.20597E-02 816 0.696E-01 0.311E-01
DAV: 11 -0.112604408093E+03 -0.52096E-03 -0.27423E-02 768 0.703E-01 0.258E-01
DAV: 12 -0.112606006668E+03 -0.15986E-02 -0.10568E-02 848 0.605E-01 0.110E-01
DAV: 13 -0.112611237782E+03 -0.52311E-02 -0.34708E-03 704 0.257E-01 0.726E-02
DAV: 14 -0.112616176842E+03 -0.49391E-02 -0.83899E-04 760 0.115E-01 0.356E-02
DAV: 15 -0.112620453376E+03 -0.42765E-02 -0.61085E-04 752 0.876E-02 0.250E-02
DAV: 16 -0.112622324018E+03 -0.18706E-02 -0.25693E-04 912 0.698E-02 0.165E-02
DAV: 17 -0.112623041751E+03 -0.71773E-03 -0.67754E-05 712 0.288E-02 0.100E-02
DAV: 18 -0.112623467686E+03 -0.42593E-03 -0.57242E-05 672 0.285E-02 0.567E-03
DAV: 19 -0.112623580807E+03 -0.11312E-03 -0.11853E-05 600 0.135E-02 0.216E-03
DAV: 20 -0.112623646694E+03 -0.65887E-04 -0.10480E-05 536 0.936E-03 0.216E-03
DAV: 21 -0.112623660376E+03 -0.13682E-04 -0.16726E-06 608 0.480E-03 0.102E-03
DAV: 22 -0.112623668688E+03 -0.83120E-05 -0.14700E-06 520 0.407E-03
1 F= -.11262367E+03 E0= -.11260498E+03 d E =-.112624E+03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.112508405975E+03 0.11525E+00 -0.45682E+02 640 0.116E+02 0.745E+00
DAV: 2 -0.114237414413E+03 -0.17290E+01 -0.18201E+01 856 0.198E+01 0.365E+00
DAV: 3 -0.114059557421E+03 0.17786E+00 -0.44146E-01 896 0.432E+00 0.203E+00
DAV: 4 -0.114027644695E+03 0.31913E-01 -0.37251E-01 832 0.357E+00 0.703E-01
DAV: 5 -0.114029216567E+03 -0.15719E-02 -0.87241E-02 768 0.172E+00 0.492E-01
DAV: 6 -0.114027540758E+03 0.16758E-02 -0.20575E-02 864 0.873E-01 0.111E-01
DAV: 7 -0.114028025089E+03 -0.48433E-03 -0.50131E-03 792 0.347E-01 0.127E-01
DAV: 8 -0.114028144880E+03 -0.11979E-03 -0.40462E-04 784 0.128E-01 0.570E-02
DAV: 9 -0.114028417994E+03 -0.27311E-03 -0.50282E-04 768 0.134E-01 0.177E-02
DAV: 10 -0.114028718991E+03 -0.30100E-03 -0.10532E-04 760 0.515E-02 0.171E-02
DAV: 11 -0.114028965885E+03 -0.24689E-03 -0.49721E-05 648 0.319E-02 0.171E-02
DAV: 12 -0.114029085677E+03 -0.11979E-03 -0.28272E-05 576 0.264E-02 0.712E-03
DAV: 13 -0.114029131178E+03 -0.45501E-04 -0.15358E-05 624 0.189E-02 0.323E-03
DAV: 14 -0.114029175427E+03 -0.44248E-04 -0.78039E-06 528 0.111E-02 0.441E-03
DAV: 15 -0.114029190941E+03 -0.15515E-04 -0.24197E-06 616 0.569E-03 0.363E-03
DAV: 16 -0.114029197442E+03 -0.65001E-05 -0.15076E-06 576 0.626E-03
2 F= -.11402920E+03 E0= -.11401051E+03 d E =-.140553E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.114033976956E+03 -0.47860E-02 -0.10231E+01 640 0.175E+01 0.115E+00
DAV: 2 -0.114057801193E+03 -0.23824E-01 -0.26687E-01 896 0.251E+00 0.424E-01
DAV: 3 -0.114055040981E+03 0.27602E-02 -0.69101E-03 896 0.554E-01 0.229E-01
DAV: 4 -0.114054686998E+03 0.35398E-03 -0.45456E-03 832 0.390E-01 0.718E-02
DAV: 5 -0.114054743268E+03 -0.56271E-04 -0.89703E-04 832 0.178E-01 0.423E-02
DAV: 6 -0.114054760065E+03 -0.16797E-04 -0.94417E-05 800 0.568E-02 0.221E-02
DAV: 7 -0.114054769210E+03 -0.91446E-05 -0.37045E-05 704 0.331E-02
3 F= -.11405477E+03 E0= -.11403608E+03 d E =-.143110E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.113265542719E+03 0.78922E+00 -0.31893E+02 640 0.984E+01 0.846E+00
DAV: 2 -0.114200647731E+03 -0.93511E+00 -0.10737E+01 832 0.157E+01 0.281E+00
DAV: 3 -0.114066303812E+03 0.13434E+00 -0.30783E-01 832 0.373E+00 0.154E+00
DAV: 4 -0.114038278247E+03 0.28026E-01 -0.21502E-01 832 0.280E+00 0.520E-01
DAV: 5 -0.114039245620E+03 -0.96737E-03 -0.36607E-02 856 0.111E+00 0.314E-01
DAV: 6 -0.114039582693E+03 -0.33707E-03 -0.61074E-03 840 0.402E-01 0.144E-01
DAV: 7 -0.114039606105E+03 -0.23412E-04 -0.98907E-04 808 0.183E-01 0.117E-01
DAV: 8 -0.114039831930E+03 -0.22582E-03 -0.34363E-04 744 0.108E-01 0.417E-02
DAV: 9 -0.114039974362E+03 -0.14243E-03 -0.19329E-04 832 0.949E-02 0.145E-02
DAV: 10 -0.114040271027E+03 -0.29667E-03 -0.14083E-04 712 0.705E-02 0.279E-02
DAV: 11 -0.114040449621E+03 -0.17859E-03 -0.56662E-05 728 0.478E-02 0.201E-02
DAV: 12 -0.114040570307E+03 -0.12069E-03 -0.51354E-05 760 0.398E-02 0.104E-02
DAV: 13 -0.114040618342E+03 -0.48034E-04 -0.99780E-06 616 0.190E-02 0.305E-03
DAV: 14 -0.114040669692E+03 -0.51350E-04 -0.57477E-06 544 0.101E-02 0.271E-03
DAV: 15 -0.114040686349E+03 -0.16657E-04 -0.15524E-06 584 0.491E-03 0.263E-03
DAV: 16 -0.114040695108E+03 -0.87589E-05 -0.11392E-06 560 0.472E-03
4 F= -.11404070E+03 E0= -.11402197E+03 d E =0.140741E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.114274118396E+03 -0.23343E+00 -0.78431E+01 640 0.487E+01 0.380E+00
DAV: 2 -0.114452133187E+03 -0.17801E+00 -0.23008E+00 848 0.746E+00 0.122E+00
DAV: 3 -0.114425170499E+03 0.26963E-01 -0.58620E-02 832 0.144E+00 0.686E-01
DAV: 4 -0.114420290207E+03 0.48803E-02 -0.53940E-02 832 0.124E+00 0.184E-01
DAV: 5 -0.114420684903E+03 -0.39470E-03 -0.12529E-02 816 0.618E-01 0.190E-01
DAV: 6 -0.114420851577E+03 -0.16667E-03 -0.83612E-04 792 0.149E-01 0.114E-01
DAV: 7 -0.114420970990E+03 -0.11941E-03 -0.16431E-04 784 0.841E-02 0.666E-02
DAV: 8 -0.114421144540E+03 -0.17355E-03 -0.18661E-04 744 0.675E-02 0.285E-02
DAV: 9 -0.114421261935E+03 -0.11740E-03 -0.86729E-05 800 0.668E-02 0.860E-03
DAV: 10 -0.114421402111E+03 -0.14018E-03 -0.50268E-05 752 0.367E-02 0.184E-02
DAV: 11 -0.114421469584E+03 -0.67473E-04 -0.14288E-05 616 0.219E-02 0.123E-02
DAV: 12 -0.114421534000E+03 -0.64416E-04 -0.18692E-05 576 0.200E-02 0.387E-03
DAV: 13 -0.114421564472E+03 -0.30472E-04 -0.51842E-06 600 0.941E-03 0.199E-03
DAV: 14 -0.114421580293E+03 -0.15821E-04 -0.25334E-06 576 0.639E-03 0.808E-04
DAV: 15 -0.114421589041E+03 -0.87485E-05 -0.13329E-06 560 0.397E-03
5 F= -.11442159E+03 E0= -.11440288E+03 d E =-.366820E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.114727421217E+03 -0.30584E+00 -0.43460E+01 640 0.360E+01 0.196E+00
DAV: 2 -0.114824409864E+03 -0.96989E-01 -0.12348E+00 816 0.529E+00 0.107E+00
DAV: 3 -0.114810498890E+03 0.13911E-01 -0.40186E-02 880 0.123E+00 0.577E-01
DAV: 4 -0.114809540018E+03 0.95887E-03 -0.19430E-02 824 0.776E-01 0.212E-01
DAV: 5 -0.114809673095E+03 -0.13308E-03 -0.45224E-03 792 0.409E-01 0.844E-02
DAV: 6 -0.114809686603E+03 -0.13508E-04 -0.47389E-04 760 0.119E-01 0.483E-02
DAV: 7 -0.114809678974E+03 0.76292E-05 -0.25753E-04 728 0.958E-02 0.272E-02
DAV: 8 -0.114809677818E+03 0.11553E-05 -0.57974E-05 864 0.575E-02
6 F= -.11480968E+03 E0= -.11479092E+03 d E =-.388089E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.114827874443E+03 -0.18195E-01 -0.49170E+00 640 0.121E+01 0.674E-01
DAV: 2 -0.114838395173E+03 -0.10521E-01 -0.14160E-01 808 0.177E+00 0.365E-01
DAV: 3 -0.114836841220E+03 0.15540E-02 -0.48008E-03 880 0.420E-01 0.199E-01
DAV: 4 -0.114836713463E+03 0.12776E-03 -0.20788E-03 824 0.262E-01 0.715E-02
DAV: 5 -0.114836743730E+03 -0.30267E-04 -0.56257E-04 792 0.138E-01 0.291E-02
DAV: 6 -0.114836748827E+03 -0.50969E-05 -0.49297E-05 792 0.401E-02
7 F= -.11483675E+03 E0= -.11481798E+03 d E =-.415160E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.115070456349E+03 -0.23371E+00 -0.17021E+01 640 0.220E+01 0.105E+00
DAV: 2 -0.115097601321E+03 -0.27145E-01 -0.38336E-01 864 0.303E+00 0.662E-01
DAV: 3 -0.115093950807E+03 0.36505E-02 -0.15412E-02 888 0.700E-01 0.356E-01
DAV: 4 -0.115093729331E+03 0.22148E-03 -0.53950E-03 768 0.421E-01 0.108E-01
DAV: 5 -0.115093832415E+03 -0.10308E-03 -0.80931E-04 832 0.168E-01 0.476E-02
DAV: 6 -0.115093883256E+03 -0.50841E-04 -0.34589E-04 776 0.107E-01 0.288E-02
DAV: 7 -0.115093906036E+03 -0.22781E-04 -0.50748E-05 792 0.470E-02 0.144E-02
DAV: 8 -0.115093969629E+03 -0.63592E-04 -0.41654E-05 736 0.342E-02 0.653E-03
DAV: 9 -0.115094005332E+03 -0.35704E-04 -0.44664E-06 608 0.162E-02 0.444E-03
DAV: 10 -0.115094062860E+03 -0.57528E-04 -0.11698E-05 536 0.217E-02 0.363E-03
DAV: 11 -0.115094094229E+03 -0.31369E-04 -0.55652E-06 584 0.117E-02 0.286E-03
DAV: 12 -0.115094108287E+03 -0.14058E-04 -0.21610E-06 576 0.712E-03 0.162E-03
DAV: 13 -0.115094117424E+03 -0.91371E-05 -0.15672E-06 560 0.630E-03
8 F= -.11509412E+03 E0= -.11507534E+03 d E =-.257369E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.115154032839E+03 -0.59925E-01 -0.14733E+01 640 0.205E+01 0.980E-01
DAV: 2 -0.115176522399E+03 -0.22490E-01 -0.32735E-01 856 0.282E+00 0.617E-01
DAV: 3 -0.115173352157E+03 0.31702E-02 -0.14605E-02 880 0.682E-01 0.328E-01
DAV: 4 -0.115173122836E+03 0.22932E-03 -0.44428E-03 768 0.389E-01 0.102E-01
DAV: 5 -0.115173201130E+03 -0.78295E-04 -0.68065E-04 872 0.157E-01 0.429E-02
DAV: 6 -0.115173237053E+03 -0.35922E-04 -0.30272E-04 776 0.104E-01 0.272E-02
DAV: 7 -0.115173256680E+03 -0.19627E-04 -0.44883E-05 768 0.421E-02 0.153E-02
DAV: 8 -0.115173313712E+03 -0.57032E-04 -0.36326E-05 728 0.323E-02 0.555E-03
DAV: 9 -0.115173356594E+03 -0.42882E-04 -0.54525E-06 576 0.163E-02 0.493E-03
DAV: 10 -0.115173409118E+03 -0.52525E-04 -0.95810E-06 536 0.203E-02 0.354E-03
DAV: 11 -0.115173442468E+03 -0.33350E-04 -0.77620E-06 592 0.144E-02 0.337E-03
DAV: 12 -0.115173457742E+03 -0.15274E-04 -0.22701E-06 552 0.681E-03 0.235E-03
DAV: 13 -0.115173465177E+03 -0.74349E-05 -0.12267E-06 592 0.562E-03
9 F= -.11517347E+03 E0= -.11515468E+03 d E =-.336716E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.115360356393E+03 -0.18690E+00 -0.18821E+01 640 0.239E+01 0.159E+00
DAV: 2 -0.115388896799E+03 -0.28540E-01 -0.45355E-01 848 0.341E+00 0.795E-01
DAV: 3 -0.115381524698E+03 0.73721E-02 -0.21464E-02 936 0.941E-01 0.454E-01
DAV: 4 -0.115380910028E+03 0.61467E-03 -0.15536E-02 800 0.725E-01 0.154E-01
DAV: 5 -0.115380709984E+03 0.20004E-03 -0.30418E-03 864 0.363E-01 0.882E-02
DAV: 6 -0.115380755025E+03 -0.45041E-04 -0.89593E-04 776 0.151E-01 0.493E-02
DAV: 7 -0.115380737497E+03 0.17528E-04 -0.16432E-04 784 0.841E-02 0.300E-02
DAV: 8 -0.115380754630E+03 -0.17133E-04 -0.62712E-05 736 0.448E-02 0.165E-02
DAV: 9 -0.115380768954E+03 -0.14324E-04 -0.18121E-05 552 0.388E-02 0.761E-03
DAV: 10 -0.115380800746E+03 -0.31792E-04 -0.49053E-05 672 0.417E-02 0.128E-02
DAV: 11 -0.115380817199E+03 -0.16452E-04 -0.22381E-05 632 0.309E-02 0.292E-03
DAV: 12 -0.115380829208E+03 -0.12009E-04 -0.45642E-06 576 0.115E-02 0.184E-03
DAV: 13 -0.115380840505E+03 -0.11297E-04 -0.13441E-06 528 0.511E-03 0.135E-03
DAV: 14 -0.115380849150E+03 -0.86446E-05 -0.92970E-07 536 0.357E-03
10 F= -.11538085E+03 E0= -.11536207E+03 d E =-.207384E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.115388426792E+03 -0.75863E-02 -0.12576E+00 648 0.616E+00 0.401E-01
DAV: 2 -0.115390306132E+03 -0.18793E-02 -0.29804E-02 832 0.877E-01 0.202E-01
DAV: 3 -0.115389820018E+03 0.48611E-03 -0.14319E-03 904 0.243E-01 0.114E-01
DAV: 4 -0.115389799474E+03 0.20544E-04 -0.10721E-03 800 0.189E-01 0.404E-02
DAV: 5 -0.115389783470E+03 0.16003E-04 -0.23031E-04 888 0.100E-01 0.226E-02
DAV: 6 -0.115389787128E+03 -0.36580E-05 -0.62252E-05 760 0.387E-02
11 F= -.11538979E+03 E0= -.11537101E+03 d E =-.216322E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.115460141628E+03 -0.70358E-01 -0.86870E+00 672 0.160E+01 0.107E+00
DAV: 2 -0.115477700558E+03 -0.17559E-01 -0.23268E-01 816 0.234E+00 0.470E-01
DAV: 3 -0.115474498696E+03 0.32019E-02 -0.79103E-03 856 0.556E-01 0.272E-01
DAV: 4 -0.115474125517E+03 0.37318E-03 -0.65876E-03 816 0.469E-01 0.933E-02
DAV: 5 -0.115474120061E+03 0.54556E-05 -0.13558E-03 832 0.211E-01 0.574E-02
DAV: 6 -0.115474143850E+03 -0.23789E-04 -0.28692E-04 768 0.825E-02 0.273E-02
DAV: 7 -0.115474145495E+03 -0.16448E-05 -0.32928E-05 784 0.377E-02
12 F= -.11547415E+03 E0= -.11545536E+03 d E =-.843584E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.115480842536E+03 -0.66987E-02 -0.20412E+00 672 0.778E+00 0.525E-01
DAV: 2 -0.115484947956E+03 -0.41054E-02 -0.54598E-02 816 0.114E+00 0.226E-01
DAV: 3 -0.115484187240E+03 0.76072E-03 -0.18763E-03 872 0.270E-01 0.130E-01
DAV: 4 -0.115484118202E+03 0.69038E-04 -0.14682E-03 816 0.223E-01 0.435E-02
DAV: 5 -0.115484126176E+03 -0.79734E-05 -0.31070E-04 840 0.101E-01 0.275E-02
DAV: 6 -0.115484139921E+03 -0.13746E-04 -0.62355E-05 752 0.393E-02 0.133E-02
DAV: 7 -0.115484148119E+03 -0.81978E-05 -0.70631E-06 584 0.182E-02
13 F= -.11548415E+03 E0= -.11546537E+03 d E =-.943610E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.115551596244E+03 -0.67456E-01 -0.63670E+00 640 0.133E+01 0.741E-01
DAV: 2 -0.115559324852E+03 -0.77286E-02 -0.12138E-01 848 0.179E+00 0.425E-01
DAV: 3 -0.115557735067E+03 0.15898E-02 -0.54259E-03 824 0.434E-01 0.230E-01
DAV: 4 -0.115557665183E+03 0.69884E-04 -0.32500E-03 696 0.327E-01 0.665E-02
DAV: 5 -0.115557637281E+03 0.27903E-04 -0.53110E-04 800 0.144E-01 0.375E-02
DAV: 6 -0.115557639869E+03 -0.25879E-05 -0.21099E-04 736 0.729E-02 0.216E-02
DAV: 7 -0.115557642533E+03 -0.26646E-05 -0.24359E-05 664 0.339E-02
14 F= -.11555764E+03 E0= -.11553886E+03 d E =-.734944E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.115570482318E+03 -0.12842E-01 -0.33718E+00 640 0.968E+00 0.541E-01
DAV: 2 -0.115574403844E+03 -0.39215E-02 -0.63737E-02 840 0.130E+00 0.309E-01
DAV: 3 -0.115573551472E+03 0.85237E-03 -0.28932E-03 848 0.317E-01 0.167E-01
DAV: 4 -0.115573492000E+03 0.59472E-04 -0.17120E-03 792 0.239E-01 0.486E-02
DAV: 5 -0.115573488751E+03 0.32487E-05 -0.28012E-04 920 0.104E-01 0.272E-02
DAV: 6 -0.115573504758E+03 -0.16007E-04 -0.10072E-04 760 0.510E-02 0.151E-02
DAV: 7 -0.115573518821E+03 -0.14063E-04 -0.10422E-05 592 0.226E-02 0.765E-03
DAV: 8 -0.115573552498E+03 -0.33677E-04 -0.21217E-05 584 0.244E-02 0.630E-03
DAV: 9 -0.115573569227E+03 -0.16729E-04 -0.39484E-06 608 0.165E-02 0.306E-03
DAV: 10 -0.115573594290E+03 -0.25063E-04 -0.79834E-06 512 0.162E-02 0.374E-03
DAV: 11 -0.115573605600E+03 -0.11310E-04 -0.19260E-06 600 0.823E-03 0.185E-03
DAV: 12 -0.115573613615E+03 -0.80147E-05 -0.13557E-06 520 0.520E-03
15 F= -.11557361E+03 E0= -.11555483E+03 d E =-.894655E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.115630576018E+03 -0.56970E-01 -0.49355E+00 640 0.115E+01 0.655E-01
DAV: 2 -0.115636564808E+03 -0.59888E-02 -0.90936E-02 832 0.148E+00 0.417E-01
DAV: 3 -0.115634995892E+03 0.15689E-02 -0.57123E-03 856 0.463E-01 0.198E-01
DAV: 4 -0.115634913870E+03 0.82022E-04 -0.18629E-03 768 0.247E-01 0.666E-02
DAV: 5 -0.115634891634E+03 0.22235E-04 -0.46838E-04 824 0.137E-01 0.264E-02
DAV: 6 -0.115634898792E+03 -0.71575E-05 -0.66501E-05 768 0.454E-02
16 F= -.11563490E+03 E0= -.11561612E+03 d E =-.612852E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.115645129836E+03 -0.10238E-01 -0.24655E+00 640 0.812E+00 0.459E-01
DAV: 2 -0.115648160133E+03 -0.30303E-02 -0.45714E-02 816 0.105E+00 0.294E-01
DAV: 3 -0.115647389074E+03 0.77106E-03 -0.27968E-03 872 0.325E-01 0.141E-01
DAV: 4 -0.115647358497E+03 0.30577E-04 -0.96024E-04 760 0.178E-01 0.467E-02
DAV: 5 -0.115647357568E+03 0.92919E-06 -0.23675E-04 776 0.987E-02 0.191E-02
DAV: 6 -0.115647369997E+03 -0.12429E-04 -0.35634E-05 752 0.324E-02 0.105E-02
DAV: 7 -0.115647387719E+03 -0.17721E-04 -0.87533E-06 544 0.179E-02 0.466E-03
DAV: 8 -0.115647407634E+03 -0.19915E-04 -0.29150E-06 536 0.112E-02 0.273E-03
DAV: 9 -0.115647432450E+03 -0.24816E-04 -0.64868E-06 536 0.174E-02 0.334E-03
DAV: 10 -0.115647442838E+03 -0.10388E-04 -0.27730E-06 576 0.105E-02 0.250E-03
DAV: 11 -0.115647447113E+03 -0.42748E-05 -0.10177E-06 560 0.554E-03
17 F= -.11564745E+03 E0= -.11562867E+03 d E =-.738335E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.115691608093E+03 -0.44165E-01 -0.80610E+00 640 0.146E+01 0.895E-01
DAV: 2 -0.115702583564E+03 -0.10975E-01 -0.15513E-01 816 0.198E+00 0.485E-01
DAV: 3 -0.115700341346E+03 0.22422E-02 -0.55154E-03 832 0.463E-01 0.262E-01
DAV: 4 -0.115700128656E+03 0.21269E-03 -0.42884E-03 784 0.369E-01 0.638E-02
DAV: 5 -0.115700104426E+03 0.24230E-04 -0.70935E-04 832 0.169E-01 0.429E-02
DAV: 6 -0.115700115930E+03 -0.11504E-04 -0.21741E-04 792 0.781E-02 0.235E-02
DAV: 7 -0.115700116105E+03 -0.17560E-06 -0.42481E-05 776 0.434E-02
18 F= -.11570012E+03 E0= -.11568134E+03 d E =-.526690E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.115703321933E+03 -0.32060E-02 -0.12313E+00 640 0.572E+00 0.351E-01
DAV: 2 -0.115705003911E+03 -0.16820E-02 -0.23792E-02 824 0.776E-01 0.188E-01
DAV: 3 -0.115704660643E+03 0.34327E-03 -0.85148E-04 848 0.179E-01 0.100E-01
DAV: 4 -0.115704639166E+03 0.21478E-04 -0.65070E-04 800 0.144E-01 0.245E-02
DAV: 5 -0.115704641934E+03 -0.27689E-05 -0.10555E-04 832 0.645E-02 0.172E-02
DAV: 6 -0.115704652094E+03 -0.10159E-04 -0.37063E-05 720 0.338E-02 0.916E-03
DAV: 7 -0.115704656189E+03 -0.40957E-05 -0.56688E-06 624 0.162E-02
19 F= -.11570466E+03 E0= -.11568588E+03 d E =-.572091E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.115745349518E+03 -0.40697E-01 -0.89565E+00 640 0.156E+01 0.881E-01
DAV: 2 -0.115758991292E+03 -0.13642E-01 -0.17626E-01 800 0.207E+00 0.509E-01
DAV: 3 -0.115756811875E+03 0.21794E-02 -0.70425E-03 848 0.543E-01 0.274E-01
DAV: 4 -0.115756540684E+03 0.27119E-03 -0.35476E-03 736 0.328E-01 0.720E-02
DAV: 5 -0.115756568373E+03 -0.27689E-04 -0.73196E-04 776 0.167E-01 0.354E-02
DAV: 6 -0.115756571763E+03 -0.33896E-05 -0.80153E-05 752 0.503E-02
20 F= -.11575657E+03 E0= -.11573779E+03 d E =-.519156E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.115760784906E+03 -0.42165E-02 -0.27221E+00 640 0.860E+00 0.487E-01
DAV: 2 -0.115764891507E+03 -0.41066E-02 -0.53424E-02 808 0.114E+00 0.278E-01
DAV: 3 -0.115764240355E+03 0.65115E-03 -0.21038E-03 840 0.297E-01 0.149E-01
DAV: 4 -0.115764164565E+03 0.75791E-04 -0.10806E-03 768 0.181E-01 0.391E-02
DAV: 5 -0.115764178103E+03 -0.13539E-04 -0.22458E-04 776 0.942E-02 0.193E-02
DAV: 6 -0.115764186368E+03 -0.82646E-05 -0.24025E-05 656 0.280E-02
21 F= -.11576419E+03 E0= -.11574540E+03 d E =-.595302E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.115793669257E+03 -0.29491E-01 -0.87979E+00 656 0.154E+01 0.852E-01
DAV: 2 -0.115803831820E+03 -0.10163E-01 -0.15104E-01 872 0.193E+00 0.501E-01
DAV: 3 -0.115801940015E+03 0.18918E-02 -0.51643E-03 776 0.413E-01 0.255E-01
DAV: 4 -0.115801696439E+03 0.24358E-03 -0.37885E-03 744 0.317E-01 0.517E-02
DAV: 5 -0.115801680343E+03 0.16095E-04 -0.52249E-04 824 0.132E-01 0.388E-02
DAV: 6 -0.115801695000E+03 -0.14657E-04 -0.24641E-04 728 0.900E-02 0.227E-02
DAV: 7 -0.115801708211E+03 -0.13211E-04 -0.36453E-05 792 0.409E-02 0.136E-02
DAV: 8 -0.115801746532E+03 -0.38322E-04 -0.32768E-05 640 0.356E-02 0.560E-03
DAV: 9 -0.115801786124E+03 -0.39591E-04 -0.86648E-06 544 0.186E-02 0.594E-03
DAV: 10 -0.115801840206E+03 -0.54083E-04 -0.11468E-05 512 0.233E-02 0.329E-03
DAV: 11 -0.115801869787E+03 -0.29580E-04 -0.89499E-06 576 0.150E-02 0.399E-03
DAV: 12 -0.115801881519E+03 -0.11732E-04 -0.17365E-06 568 0.778E-03 0.208E-03
DAV: 13 -0.115801891542E+03 -0.10023E-04 -0.24630E-06 544 0.809E-03 0.130E-03
DAV: 14 -0.115801897570E+03 -0.60275E-05 -0.74697E-07 544 0.355E-03
22 F= -.11580190E+03 E0= -.11578311E+03 d E =-.377112E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.115801901117E+03 -0.95749E-05 -0.24511E-04 752 0.812E-02 0.459E-03
DAV: 2 -0.115801901686E+03 -0.56934E-06 -0.39540E-06 632 0.105E-02
23 F= -.11580190E+03 E0= -.11578312E+03 d E =-.377153E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.115820435984E+03 -0.18535E-01 -0.75339E+00 640 0.145E+01 0.731E-01
DAV: 2 -0.115833086494E+03 -0.12651E-01 -0.15732E-01 792 0.196E+00 0.460E-01
DAV: 3 -0.115831091416E+03 0.19951E-02 -0.45771E-03 848 0.434E-01 0.254E-01
DAV: 4 -0.115830837754E+03 0.25366E-03 -0.47774E-03 792 0.382E-01 0.670E-02
DAV: 5 -0.115830792063E+03 0.45692E-04 -0.80122E-04 816 0.179E-01 0.383E-02
DAV: 6 -0.115830800608E+03 -0.85452E-05 -0.19579E-04 784 0.707E-02 0.196E-02
DAV: 7 -0.115830804196E+03 -0.35879E-05 -0.18014E-05 568 0.303E-02
24 F= -.11583080E+03 E0= -.11581202E+03 d E =-.289025E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.115830983858E+03 -0.18325E-03 -0.95231E-02 672 0.164E+00 0.827E-02
DAV: 2 -0.115831145639E+03 -0.16178E-03 -0.20669E-03 832 0.227E-01 0.521E-02
DAV: 3 -0.115831125148E+03 0.20491E-04 -0.65016E-05 840 0.508E-02 0.293E-02
DAV: 4 -0.115831132863E+03 -0.77140E-05 -0.64173E-05 752 0.456E-02
25 F= -.11583113E+03 E0= -.11581235E+03 d E =-.292312E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.115841185389E+03 -0.10060E-01 -0.37091E+00 640 0.103E+01 0.500E-01
DAV: 2 -0.115847059738E+03 -0.58743E-02 -0.78535E-02 864 0.139E+00 0.310E-01
DAV: 3 -0.115846211637E+03 0.84810E-03 -0.25636E-03 848 0.312E-01 0.168E-01
DAV: 4 -0.115846100887E+03 0.11075E-03 -0.16210E-03 728 0.244E-01 0.413E-02
DAV: 5 -0.115846093266E+03 0.76215E-05 -0.31743E-04 800 0.110E-01 0.252E-02
DAV: 6 -0.115846087644E+03 0.56213E-05 -0.93425E-05 736 0.532E-02
26 F= -.11584609E+03 E0= -.11582730E+03 d E =-.149548E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.115846103519E+03 -0.10253E-04 -0.60791E-03 760 0.419E-01 0.225E-02
DAV: 2 -0.115846117850E+03 -0.14331E-04 -0.13390E-04 808 0.582E-02 0.131E-02
DAV: 3 -0.115846123089E+03 -0.52388E-05 -0.49793E-06 552 0.196E-02
27 F= -.11584612E+03 E0= -.11582734E+03 d E =-.149902E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.115855999940E+03 -0.98821E-02 -0.31797E+00 640 0.963E+00 0.489E-01
DAV: 2 -0.115860859413E+03 -0.48595E-02 -0.71736E-02 848 0.131E+00 0.302E-01
DAV: 3 -0.115860107795E+03 0.75162E-03 -0.28365E-03 848 0.320E-01 0.170E-01
DAV: 4 -0.115860048430E+03 0.59365E-04 -0.18200E-03 728 0.235E-01 0.551E-02
DAV: 5 -0.115860020917E+03 0.27513E-04 -0.28645E-04 952 0.122E-01 0.238E-02
DAV: 6 -0.115860027452E+03 -0.65351E-05 -0.12115E-04 736 0.612E-02 0.148E-02
DAV: 7 -0.115860029066E+03 -0.16139E-05 -0.15371E-05 584 0.279E-02
28 F= -.11586003E+03 E0= -.11584124E+03 d E =-.139060E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.115860205325E+03 -0.17787E-03 -0.78241E-02 656 0.151E+00 0.774E-02
DAV: 2 -0.115860325662E+03 -0.12034E-03 -0.18233E-03 856 0.210E-01 0.467E-02
DAV: 3 -0.115860310219E+03 0.15443E-04 -0.72266E-05 792 0.500E-02 0.269E-02
DAV: 4 -0.115860312640E+03 -0.24217E-05 -0.50993E-05 712 0.396E-02
29 F= -.11586031E+03 E0= -.11584153E+03 d E =-.141896E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.115862471140E+03 -0.21609E-02 -0.25285E+00 640 0.863E+00 0.506E-01
DAV: 2 -0.115867097581E+03 -0.46264E-02 -0.60220E-02 848 0.121E+00 0.241E-01
DAV: 3 -0.115866410713E+03 0.68687E-03 -0.18346E-03 800 0.263E-01 0.138E-01
DAV: 4 -0.115866289712E+03 0.12100E-03 -0.14610E-03 736 0.230E-01 0.396E-02
DAV: 5 -0.115866284964E+03 0.47482E-05 -0.27359E-04 824 0.103E-01 0.248E-02
DAV: 6 -0.115866284803E+03 0.16062E-06 -0.87081E-05 752 0.489E-02
30 F= -.11586628E+03 E0= -.11584750E+03 d E =-.597216E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.115866419929E+03 -0.13497E-03 -0.67228E-02 656 0.141E+00 0.786E-02
DAV: 2 -0.115866547618E+03 -0.12769E-03 -0.16392E-03 840 0.201E-01 0.401E-02
DAV: 3 -0.115866532554E+03 0.15063E-04 -0.50566E-05 824 0.433E-02 0.235E-02
DAV: 4 -0.115866536626E+03 -0.40717E-05 -0.48807E-05 728 0.409E-02
31 F= -.11586654E+03 E0= -.11584775E+03 d E =-.622399E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.115870549601E+03 -0.40170E-02 -0.11354E+00 640 0.574E+00 0.249E-01
DAV: 2 -0.115872485353E+03 -0.19358E-02 -0.23355E-02 840 0.751E-01 0.158E-01
DAV: 3 -0.115872277296E+03 0.20806E-03 -0.59986E-04 824 0.148E-01 0.881E-02
DAV: 4 -0.115872262027E+03 0.15269E-04 -0.48603E-04 744 0.130E-01 0.204E-02
DAV: 5 -0.115872264136E+03 -0.21086E-05 -0.88886E-05 872 0.522E-02
32 F= -.11587226E+03 E0= -.11585348E+03 d E =-.572751E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.115872501605E+03 -0.23958E-03 -0.16288E-01 640 0.217E+00 0.963E-02
DAV: 2 -0.115872790680E+03 -0.28907E-03 -0.34181E-03 840 0.287E-01 0.595E-02
DAV: 3 -0.115872763051E+03 0.27629E-04 -0.80514E-05 808 0.560E-02 0.337E-02
DAV: 4 -0.115872763728E+03 -0.67732E-06 -0.78845E-05 752 0.524E-02
33 F= -.11587276E+03 E0= -.11585398E+03 d E =-.622710E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.115876716273E+03 -0.39532E-02 -0.55408E-01 640 0.405E+00 0.210E-01
DAV: 2 -0.115877746609E+03 -0.10303E-02 -0.12827E-02 768 0.551E-01 0.114E-01
DAV: 3 -0.115877649528E+03 0.97081E-04 -0.32562E-04 840 0.116E-01 0.673E-02
DAV: 4 -0.115877647578E+03 0.19492E-05 -0.43745E-04 712 0.127E-01 0.225E-02
DAV: 5 -0.115877642684E+03 0.48945E-05 -0.79083E-05 840 0.538E-02
34 F= -.11587764E+03 E0= -.11585886E+03 d E =-.487896E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.115879191949E+03 -0.15444E-02 -0.77250E-01 640 0.478E+00 0.247E-01
DAV: 2 -0.115880672995E+03 -0.14810E-02 -0.18235E-02 768 0.657E-01 0.134E-01
DAV: 3 -0.115880529098E+03 0.14390E-03 -0.44943E-04 824 0.138E-01 0.801E-02
DAV: 4 -0.115880517892E+03 0.11206E-04 -0.65388E-04 712 0.154E-01 0.285E-02
DAV: 5 -0.115880509339E+03 0.85537E-05 -0.11498E-04 848 0.654E-02 0.223E-02
DAV: 6 -0.115880504662E+03 0.46770E-05 -0.63801E-05 728 0.442E-02
35 F= -.11588050E+03 E0= -.11586172E+03 d E =-.774093E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.115880549640E+03 -0.40301E-04 -0.13793E-01 640 0.202E+00 0.105E-01
DAV: 2 -0.115880814343E+03 -0.26470E-03 -0.32258E-03 800 0.276E-01 0.570E-02
DAV: 3 -0.115880787257E+03 0.27086E-04 -0.75259E-05 808 0.569E-02 0.335E-02
DAV: 4 -0.115880785760E+03 0.14973E-05 -0.10368E-04 736 0.612E-02 0.110E-02
DAV: 5 -0.115880785543E+03 0.21647E-06 -0.18298E-05 688 0.276E-02
36 F= -.11588079E+03 E0= -.11586200E+03 d E =-.802181E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.115884409653E+03 -0.36239E-02 -0.54590E-01 640 0.397E+00 0.181E-01
DAV: 2 -0.115885331027E+03 -0.92137E-03 -0.11337E-02 824 0.516E-01 0.110E-01
DAV: 3 -0.115885258937E+03 0.72090E-04 -0.29572E-04 792 0.108E-01 0.636E-02
DAV: 4 -0.115885266593E+03 -0.76559E-05 -0.32931E-04 704 0.106E-01 0.202E-02
DAV: 5 -0.115885262354E+03 0.42387E-05 -0.52349E-05 816 0.448E-02
37 F= -.11588526E+03 E0= -.11586648E+03 d E =-.447681E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.115885613968E+03 -0.34737E-03 -0.19998E+00 640 0.759E+00 0.348E-01
DAV: 2 -0.115888971503E+03 -0.33575E-02 -0.41629E-02 824 0.989E-01 0.211E-01
DAV: 3 -0.115888692840E+03 0.27866E-03 -0.10636E-03 808 0.205E-01 0.122E-01
DAV: 4 -0.115888695894E+03 -0.30545E-05 -0.12132E-03 736 0.202E-01 0.387E-02
DAV: 5 -0.115888676782E+03 0.19112E-04 -0.18768E-04 864 0.842E-02 0.251E-02
DAV: 6 -0.115888674730E+03 0.20515E-05 -0.10236E-04 768 0.559E-02 0.913E-03
DAV: 7 -0.115888675745E+03 -0.10153E-05 -0.70586E-06 576 0.168E-02
38 F= -.11588868E+03 E0= -.11586989E+03 d E =-.789020E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.115891710005E+03 -0.30353E-02 -0.78764E-01 640 0.478E+00 0.240E-01
DAV: 2 -0.115892998726E+03 -0.12887E-02 -0.16050E-02 776 0.618E-01 0.125E-01
DAV: 3 -0.115892875428E+03 0.12330E-03 -0.48322E-04 856 0.127E-01 0.707E-02
DAV: 4 -0.115892847802E+03 0.27626E-04 -0.31126E-04 752 0.109E-01 0.175E-02
DAV: 5 -0.115892848641E+03 -0.83809E-06 -0.62219E-05 808 0.472E-02
39 F= -.11589285E+03 E0= -.11587407E+03 d E =-.417290E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.115892999613E+03 -0.15181E-03 -0.94471E-01 640 0.524E+00 0.265E-01
DAV: 2 -0.115894562129E+03 -0.15625E-02 -0.19327E-02 776 0.678E-01 0.137E-01
DAV: 3 -0.115894411832E+03 0.15030E-03 -0.55783E-04 864 0.138E-01 0.773E-02
DAV: 4 -0.115894379137E+03 0.32696E-04 -0.39000E-04 752 0.122E-01 0.196E-02
DAV: 5 -0.115894379853E+03 -0.71631E-06 -0.78704E-05 840 0.536E-02
40 F= -.11589438E+03 E0= -.11587560E+03 d E =-.570411E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.115896458650E+03 -0.20795E-02 -0.99363E-01 640 0.542E+00 0.243E-01
DAV: 2 -0.115898368657E+03 -0.19100E-02 -0.23327E-02 800 0.730E-01 0.142E-01
DAV: 3 -0.115898234502E+03 0.13415E-03 -0.48248E-04 816 0.130E-01 0.842E-02
DAV: 4 -0.115898213018E+03 0.21485E-04 -0.51362E-04 688 0.143E-01 0.234E-02
DAV: 5 -0.115898211014E+03 0.20036E-05 -0.97541E-05 808 0.584E-02
41 F= -.11589821E+03 E0= -.11587943E+03 d E =-.383116E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.115898195289E+03 0.17728E-04 -0.36262E-01 640 0.327E+00 0.147E-01
DAV: 2 -0.115898907272E+03 -0.71198E-03 -0.86753E-03 792 0.445E-01 0.856E-02
DAV: 3 -0.115898854680E+03 0.52592E-04 -0.17229E-04 792 0.803E-02 0.515E-02
DAV: 4 -0.115898844643E+03 0.10037E-04 -0.21581E-04 704 0.938E-02 0.159E-02
DAV: 5 -0.115898844497E+03 0.14577E-06 -0.40429E-05 792 0.378E-02
42 F= -.11589884E+03 E0= -.11588006E+03 d E =-.446464E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.115901122850E+03 -0.22782E-02 -0.89334E-01 640 0.512E+00 0.224E-01
DAV: 2 -0.115902838831E+03 -0.17160E-02 -0.20481E-02 752 0.687E-01 0.140E-01
DAV: 3 -0.115902715358E+03 0.12347E-03 -0.50041E-04 856 0.140E-01 0.850E-02
DAV: 4 -0.115902719593E+03 -0.42352E-05 -0.65816E-04 704 0.155E-01 0.291E-02
DAV: 5 -0.115902709395E+03 0.10199E-04 -0.11137E-04 824 0.678E-02 0.201E-02
DAV: 6 -0.115902709968E+03 -0.57374E-06 -0.67039E-05 712 0.452E-02
43 F= -.11590271E+03 E0= -.11588393E+03 d E =-.386547E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.115902803210E+03 -0.93815E-04 -0.73828E-01 640 0.466E+00 0.205E-01
DAV: 2 -0.115904207716E+03 -0.14045E-02 -0.16799E-02 760 0.622E-01 0.127E-01
DAV: 3 -0.115904106927E+03 0.10079E-03 -0.41139E-04 864 0.125E-01 0.764E-02
DAV: 4 -0.115904106972E+03 -0.45603E-07 -0.49626E-04 704 0.133E-01 0.250E-02
DAV: 5 -0.115904099086E+03 0.78863E-05 -0.82685E-05 816 0.589E-02
44 F= -.11590410E+03 E0= -.11588532E+03 d E =-.525459E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.115906499877E+03 -0.23929E-02 -0.87424E-01 640 0.503E+00 0.209E-01
DAV: 2 -0.115907971676E+03 -0.14718E-02 -0.17507E-02 776 0.639E-01 0.133E-01
DAV: 3 -0.115907871104E+03 0.10057E-03 -0.41497E-04 800 0.125E-01 0.766E-02
DAV: 4 -0.115907868981E+03 0.21225E-05 -0.41642E-04 728 0.119E-01 0.213E-02
DAV: 5 -0.115907864497E+03 0.44845E-05 -0.71330E-05 848 0.520E-02
45 F= -.11590786E+03 E0= -.11588908E+03 d E =-.376541E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.115907790212E+03 0.78769E-04 -0.91441E-01 640 0.514E+00 0.214E-01
DAV: 2 -0.115909323188E+03 -0.15330E-02 -0.18281E-02 792 0.653E-01 0.136E-01
DAV: 3 -0.115909217962E+03 0.10523E-03 -0.43288E-04 880 0.126E-01 0.780E-02
DAV: 4 -0.115909213274E+03 0.46886E-05 -0.41018E-04 728 0.119E-01 0.206E-02
DAV: 5 -0.115909210148E+03 0.31253E-05 -0.71255E-05 848 0.518E-02
46 F= -.11590921E+03 E0= -.11589043E+03 d E =-.511106E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.115911119839E+03 -0.19066E-02 -0.97701E-01 640 0.533E+00 0.225E-01
DAV: 2 -0.115912827421E+03 -0.17076E-02 -0.19985E-02 752 0.668E-01 0.131E-01
DAV: 3 -0.115912754071E+03 0.73351E-04 -0.46913E-04 856 0.117E-01 0.763E-02
DAV: 4 -0.115912748146E+03 0.59241E-05 -0.31823E-04 704 0.112E-01 0.152E-02
DAV: 5 -0.115912751060E+03 -0.29134E-05 -0.68382E-05 840 0.458E-02
47 F= -.11591275E+03 E0= -.11589397E+03 d E =-.354091E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.115907536176E+03 0.52120E-02 -0.52785E+00 640 0.124E+01 0.522E-01
DAV: 2 -0.115916755301E+03 -0.92191E-02 -0.10812E-01 752 0.155E+00 0.305E-01
DAV: 3 -0.115916311151E+03 0.44415E-03 -0.26040E-03 856 0.275E-01 0.178E-01
DAV: 4 -0.115916207927E+03 0.10322E-03 -0.16790E-03 728 0.259E-01 0.344E-02
DAV: 5 -0.115916222591E+03 -0.14664E-04 -0.36812E-04 840 0.106E-01 0.300E-02
DAV: 6 -0.115916219260E+03 0.33310E-05 -0.86911E-05 752 0.528E-02
48 F= -.11591622E+03 E0= -.11589744E+03 d E =-.700911E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.115917934053E+03 -0.17115E-02 -0.10282E+00 640 0.547E+00 0.235E-01
DAV: 2 -0.115919831014E+03 -0.18970E-02 -0.21989E-02 736 0.705E-01 0.133E-01
DAV: 3 -0.115919764097E+03 0.66916E-04 -0.52138E-04 840 0.121E-01 0.775E-02
DAV: 4 -0.115919758282E+03 0.58157E-05 -0.34125E-04 720 0.118E-01 0.170E-02
DAV: 5 -0.115919761944E+03 -0.36627E-05 -0.71643E-05 816 0.483E-02
49 F= -.11591976E+03 E0= -.11590098E+03 d E =-.354268E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.115917294899E+03 0.24634E-02 -0.27390E+00 640 0.892E+00 0.381E-01
DAV: 2 -0.115922335435E+03 -0.50405E-02 -0.58651E-02 728 0.115E+00 0.215E-01
DAV: 3 -0.115922137734E+03 0.19770E-03 -0.14087E-03 848 0.200E-01 0.127E-01
DAV: 4 -0.115922091829E+03 0.45905E-04 -0.10016E-03 736 0.201E-01 0.309E-02
DAV: 5 -0.115922093238E+03 -0.14093E-05 -0.20165E-04 848 0.826E-02 0.263E-02
DAV: 6 -0.115922090755E+03 0.24829E-05 -0.82256E-05 760 0.523E-02
50 F= -.11592209E+03 E0= -.11590331E+03 d E =-.587149E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.115923858378E+03 -0.17651E-02 -0.10948E+00 640 0.564E+00 0.232E-01
DAV: 2 -0.115925861445E+03 -0.20031E-02 -0.23413E-02 760 0.732E-01 0.138E-01
DAV: 3 -0.115925775321E+03 0.86123E-04 -0.61890E-04 864 0.137E-01 0.817E-02
DAV: 4 -0.115925775479E+03 -0.15808E-06 -0.50806E-04 712 0.136E-01 0.255E-02
DAV: 5 -0.115925771675E+03 0.38045E-05 -0.84025E-05 792 0.567E-02
51 F= -.11592577E+03 E0= -.11590699E+03 d E =-.368092E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.115922151224E+03 0.36243E-02 -0.37036E+00 640 0.104E+01 0.425E-01
DAV: 2 -0.115928960722E+03 -0.68095E-02 -0.79710E-02 760 0.135E+00 0.254E-01
DAV: 3 -0.115928641570E+03 0.31915E-03 -0.21257E-03 864 0.256E-01 0.152E-01
DAV: 4 -0.115928621044E+03 0.20526E-04 -0.19004E-03 768 0.262E-01 0.508E-02
DAV: 5 -0.115928597473E+03 0.23571E-04 -0.31097E-04 832 0.110E-01 0.383E-02
DAV: 6 -0.115928589892E+03 0.75817E-05 -0.24740E-04 760 0.893E-02 0.147E-02
DAV: 7 -0.115928589276E+03 0.61604E-06 -0.22244E-05 640 0.311E-02
52 F= -.11592859E+03 E0= -.11590981E+03 d E =-.649852E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.115929391537E+03 -0.80165E-03 -0.19932E+00 640 0.764E+00 0.314E-01
DAV: 2 -0.115933066223E+03 -0.36747E-02 -0.42293E-02 752 0.977E-01 0.181E-01
DAV: 3 -0.115932906073E+03 0.16015E-03 -0.10296E-03 864 0.168E-01 0.106E-01
DAV: 4 -0.115932849191E+03 0.56882E-04 -0.58062E-04 744 0.161E-01 0.210E-02
DAV: 5 -0.115932858245E+03 -0.90536E-05 -0.14295E-04 816 0.652E-02 0.205E-02
DAV: 6 -0.115932855001E+03 0.32443E-05 -0.38821E-05 704 0.367E-02
53 F= -.11593286E+03 E0= -.11591407E+03 d E =-.426572E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.115929545922E+03 0.33123E-02 -0.29256E+00 640 0.925E+00 0.382E-01
DAV: 2 -0.115934958356E+03 -0.54124E-02 -0.62199E-02 744 0.118E+00 0.219E-01
DAV: 3 -0.115934715395E+03 0.24296E-03 -0.14863E-03 864 0.202E-01 0.129E-01
DAV: 4 -0.115934622855E+03 0.92541E-04 -0.86075E-04 728 0.197E-01 0.251E-02
DAV: 5 -0.115934635500E+03 -0.12646E-04 -0.21395E-04 840 0.799E-02 0.250E-02
DAV: 6 -0.115934630812E+03 0.46881E-05 -0.56478E-05 768 0.440E-02
54 F= -.11593463E+03 E0= -.11591585E+03 d E =-.604154E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.115935554297E+03 -0.91880E-03 -0.15436E+00 640 0.672E+00 0.277E-01
DAV: 2 -0.115938468302E+03 -0.29140E-02 -0.32818E-02 736 0.853E-01 0.156E-01
DAV: 3 -0.115938348581E+03 0.11972E-03 -0.70394E-04 824 0.139E-01 0.929E-02
DAV: 4 -0.115938311356E+03 0.37225E-04 -0.48012E-04 720 0.146E-01 0.178E-02
DAV: 5 -0.115938318417E+03 -0.70613E-05 -0.12005E-04 848 0.592E-02 0.180E-02
DAV: 6 -0.115938317109E+03 0.13082E-05 -0.18595E-05 600 0.255E-02
55 F= -.11593832E+03 E0= -.11591953E+03 d E =-.368630E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.115924488902E+03 0.13830E-01 -0.98902E+00 640 0.170E+01 0.699E-01
DAV: 2 -0.115943241995E+03 -0.18753E-01 -0.21102E-01 712 0.216E+00 0.396E-01
DAV: 3 -0.115942436351E+03 0.80564E-03 -0.46408E-03 832 0.357E-01 0.237E-01
DAV: 4 -0.115942137585E+03 0.29877E-03 -0.32170E-03 744 0.376E-01 0.471E-02
DAV: 5 -0.115942172448E+03 -0.34863E-04 -0.80111E-04 856 0.154E-01 0.468E-02
DAV: 6 -0.115942152722E+03 0.19726E-04 -0.15226E-04 776 0.709E-02 0.233E-02
DAV: 7 -0.115942151120E+03 0.16020E-05 -0.36156E-05 760 0.349E-02
56 F= -.11594215E+03 E0= -.11592337E+03 d E =-.752031E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.115941661880E+03 0.49084E-03 -0.29718E+00 640 0.927E+00 0.375E-01
DAV: 2 -0.115947349345E+03 -0.56875E-02 -0.64335E-02 728 0.119E+00 0.225E-01
DAV: 3 -0.115947114152E+03 0.23519E-03 -0.13501E-03 848 0.203E-01 0.136E-01
DAV: 4 -0.115947080551E+03 0.33601E-04 -0.13716E-03 744 0.224E-01 0.415E-02
DAV: 5 -0.115947074156E+03 0.63950E-05 -0.24425E-04 848 0.902E-02 0.359E-02
DAV: 6 -0.115947064824E+03 0.93316E-05 -0.11182E-04 760 0.622E-02 0.131E-02
DAV: 7 -0.115947067229E+03 -0.24045E-05 -0.15832E-05 640 0.224E-02
57 F= -.11594707E+03 E0= -.11592828E+03 d E =-.491611E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.115940889438E+03 0.61754E-02 -0.43611E+00 640 0.112E+01 0.455E-01
DAV: 2 -0.115949262935E+03 -0.83735E-02 -0.94966E-02 728 0.144E+00 0.274E-01
DAV: 3 -0.115948891668E+03 0.37127E-03 -0.20080E-03 848 0.248E-01 0.166E-01
DAV: 4 -0.115948832010E+03 0.59658E-04 -0.20803E-03 728 0.275E-01 0.516E-02
DAV: 5 -0.115948818479E+03 0.13531E-04 -0.36526E-04 840 0.111E-01 0.444E-02
DAV: 6 -0.115948799212E+03 0.19267E-04 -0.17528E-04 752 0.786E-02 0.160E-02
DAV: 7 -0.115948799884E+03 -0.67249E-06 -0.26214E-05 648 0.281E-02
58 F= -.11594880E+03 E0= -.11593002E+03 d E =-.664876E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.115948300171E+03 0.49904E-03 -0.28724E+00 640 0.911E+00 0.359E-01
DAV: 2 -0.115953676744E+03 -0.53766E-02 -0.61109E-02 760 0.115E+00 0.217E-01
DAV: 3 -0.115953438785E+03 0.23796E-03 -0.13417E-03 856 0.201E-01 0.129E-01
DAV: 4 -0.115953390232E+03 0.48552E-04 -0.11001E-03 752 0.202E-01 0.342E-02
DAV: 5 -0.115953385058E+03 0.51747E-05 -0.21366E-04 848 0.874E-02 0.272E-02
DAV: 6 -0.115953381830E+03 0.32273E-05 -0.97951E-05 744 0.565E-02
59 F= -.11595338E+03 E0= -.11593460E+03 d E =-.458195E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.115930110029E+03 0.23275E-01 -0.15110E+01 640 0.209E+01 0.830E-01
DAV: 2 -0.115958836997E+03 -0.28727E-01 -0.32714E-01 752 0.266E+00 0.497E-01
DAV: 3 -0.115957601622E+03 0.12354E-02 -0.72080E-03 856 0.463E-01 0.298E-01
DAV: 4 -0.115957303802E+03 0.29782E-03 -0.59629E-03 792 0.477E-01 0.810E-02
DAV: 5 -0.115957268959E+03 0.34844E-04 -0.11639E-03 808 0.202E-01 0.662E-02
DAV: 6 -0.115957237267E+03 0.31691E-04 -0.52389E-04 768 0.130E-01 0.260E-02
DAV: 7 -0.115957236199E+03 0.10680E-05 -0.49940E-05 656 0.439E-02
60 F= -.11595724E+03 E0= -.11593846E+03 d E =-.843631E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.115955957806E+03 0.12795E-02 -0.39813E+00 640 0.108E+01 0.429E-01
DAV: 2 -0.115963497879E+03 -0.75401E-02 -0.84751E-02 744 0.136E+00 0.245E-01
DAV: 3 -0.115963185965E+03 0.31191E-03 -0.17660E-03 864 0.222E-01 0.146E-01
DAV: 4 -0.115963044505E+03 0.14146E-03 -0.10279E-03 736 0.219E-01 0.227E-02
DAV: 5 -0.115963068840E+03 -0.24335E-04 -0.31209E-04 856 0.922E-02 0.250E-02
DAV: 6 -0.115963064589E+03 0.42517E-05 -0.19941E-05 560 0.277E-02
61 F= -.11596306E+03 E0= -.11594428E+03 d E =-.582839E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.115940736387E+03 0.22332E-01 -0.14789E+01 640 0.207E+01 0.828E-01
DAV: 2 -0.115968999308E+03 -0.28263E-01 -0.31819E-01 744 0.263E+00 0.471E-01
DAV: 3 -0.115967876945E+03 0.11224E-02 -0.66651E-03 864 0.428E-01 0.282E-01
DAV: 4 -0.115967296171E+03 0.58077E-03 -0.38232E-03 768 0.423E-01 0.440E-02
DAV: 5 -0.115967376947E+03 -0.80777E-04 -0.11412E-03 848 0.177E-01 0.492E-02
DAV: 6 -0.115967355527E+03 0.21420E-04 -0.96943E-05 768 0.574E-02 0.288E-02
DAV: 7 -0.115967349223E+03 0.63043E-05 -0.30488E-05 688 0.340E-02
62 F= -.11596735E+03 E0= -.11594857E+03 d E =-.101130E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.115966858364E+03 0.49716E-03 -0.31130E+00 640 0.952E+00 0.376E-01
DAV: 2 -0.115972923646E+03 -0.60653E-02 -0.68075E-02 744 0.123E+00 0.218E-01
DAV: 3 -0.115972645193E+03 0.27845E-03 -0.13766E-03 864 0.196E-01 0.131E-01
DAV: 4 -0.115972540229E+03 0.10496E-03 -0.93281E-04 760 0.203E-01 0.231E-02
DAV: 5 -0.115972562897E+03 -0.22668E-04 -0.26178E-04 816 0.853E-02 0.237E-02
DAV: 6 -0.115972564325E+03 -0.14279E-05 -0.28177E-05 632 0.308E-02
63 F= -.11597256E+03 E0= -.11595378E+03 d E =-.521510E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.115970398828E+03 0.21641E-02 -0.18667E+00 640 0.737E+00 0.295E-01
DAV: 2 -0.115974030900E+03 -0.36321E-02 -0.41000E-02 744 0.953E-01 0.168E-01
DAV: 3 -0.115973885022E+03 0.14588E-03 -0.82605E-04 864 0.152E-01 0.101E-01
DAV: 4 -0.115973828545E+03 0.56477E-04 -0.54530E-04 776 0.156E-01 0.181E-02
DAV: 5 -0.115973841685E+03 -0.13139E-04 -0.15281E-04 816 0.656E-02 0.184E-02
DAV: 6 -0.115973842648E+03 -0.96298E-06 -0.16702E-05 560 0.241E-02
64 F= -.11597384E+03 E0= -.11595506E+03 d E =-.649342E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.115974624242E+03 -0.78256E-03 -0.20630E+00 640 0.777E+00 0.329E-01
DAV: 2 -0.115978891720E+03 -0.42675E-02 -0.47866E-02 760 0.103E+00 0.181E-01
DAV: 3 -0.115978725516E+03 0.16620E-03 -0.96657E-04 848 0.179E-01 0.110E-01
DAV: 4 -0.115978711869E+03 0.13646E-04 -0.10469E-03 768 0.202E-01 0.363E-02
DAV: 5 -0.115978704216E+03 0.76536E-05 -0.20114E-04 856 0.838E-02 0.303E-02
DAV: 6 -0.115978698110E+03 0.61061E-05 -0.10146E-04 760 0.580E-02 0.999E-03
DAV: 7 -0.115978699295E+03 -0.11857E-05 -0.10500E-05 624 0.183E-02
65 F= -.11597870E+03 E0= -.11595992E+03 d E =-.485665E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.115970760312E+03 0.79378E-02 -0.56894E+00 640 0.129E+01 0.545E-01
DAV: 2 -0.115982515963E+03 -0.11756E-01 -0.13178E-01 752 0.171E+00 0.301E-01
DAV: 3 -0.115982031329E+03 0.48463E-03 -0.27243E-03 864 0.299E-01 0.184E-01
DAV: 4 -0.115981956656E+03 0.74672E-04 -0.29375E-03 816 0.339E-01 0.609E-02
DAV: 5 -0.115981928709E+03 0.27947E-04 -0.55634E-04 808 0.141E-01 0.492E-02
DAV: 6 -0.115981911233E+03 0.17476E-04 -0.29112E-04 760 0.975E-02 0.168E-02
DAV: 7 -0.115981912047E+03 -0.81408E-06 -0.28683E-05 664 0.300E-02
66 F= -.11598191E+03 E0= -.11596313E+03 d E =-.806940E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.115979617780E+03 0.22935E-02 -0.32328E+00 640 0.979E+00 0.416E-01
DAV: 2 -0.115986446331E+03 -0.68286E-02 -0.76076E-02 768 0.130E+00 0.218E-01
DAV: 3 -0.115986164406E+03 0.28192E-03 -0.15121E-03 856 0.224E-01 0.134E-01
DAV: 4 -0.115986090676E+03 0.73731E-04 -0.14016E-03 760 0.250E-01 0.358E-02
DAV: 5 -0.115986092367E+03 -0.16914E-05 -0.34200E-04 840 0.107E-01 0.317E-02
DAV: 6 -0.115986083101E+03 0.92664E-05 -0.10546E-04 744 0.583E-02 0.127E-02
DAV: 7 -0.115986082935E+03 0.16540E-06 -0.10174E-05 632 0.190E-02
67 F= -.11598608E+03 E0= -.11596730E+03 d E =-.417089E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.115985628143E+03 0.45496E-03 -0.36844E-01 640 0.331E+00 0.140E-01
DAV: 2 -0.115986401267E+03 -0.77312E-03 -0.86570E-03 768 0.438E-01 0.734E-02
DAV: 3 -0.115986367671E+03 0.33596E-04 -0.17359E-04 872 0.758E-02 0.450E-02
DAV: 4 -0.115986357284E+03 0.10387E-04 -0.15546E-04 752 0.852E-02 0.114E-02
DAV: 5 -0.115986359216E+03 -0.19319E-05 -0.41502E-05 848 0.368E-02
68 F= -.11598636E+03 E0= -.11596758E+03 d E =-.444717E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.115986246739E+03 0.11054E-03 -0.13692E+00 640 0.634E+00 0.250E-01
DAV: 2 -0.115988936234E+03 -0.26895E-02 -0.30048E-02 736 0.814E-01 0.141E-01
DAV: 3 -0.115988824499E+03 0.11173E-03 -0.63384E-04 848 0.136E-01 0.851E-02
DAV: 4 -0.115988787072E+03 0.37428E-04 -0.43845E-04 768 0.142E-01 0.175E-02
DAV: 5 -0.115988794128E+03 -0.70568E-05 -0.12591E-04 832 0.610E-02 0.167E-02
DAV: 6 -0.115988792590E+03 0.15388E-05 -0.14724E-05 568 0.229E-02
69 F= -.11598879E+03 E0= -.11597001E+03 d E =-.243337E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.115987901555E+03 0.89257E-03 -0.79130E-01 640 0.482E+00 0.190E-01
DAV: 2 -0.115989460886E+03 -0.15593E-02 -0.17448E-02 744 0.621E-01 0.108E-01
DAV: 3 -0.115989393028E+03 0.67858E-04 -0.36566E-04 848 0.103E-01 0.651E-02
DAV: 4 -0.115989370122E+03 0.22906E-04 -0.25341E-04 760 0.107E-01 0.131E-02
DAV: 5 -0.115989374758E+03 -0.46356E-05 -0.72792E-05 816 0.464E-02
70 F= -.11598937E+03 E0= -.11597059E+03 d E =-.301554E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.115989634509E+03 -0.26439E-03 -0.12834E+00 640 0.612E+00 0.250E-01
DAV: 2 -0.115992140087E+03 -0.25056E-02 -0.28447E-02 744 0.787E-01 0.134E-01
DAV: 3 -0.115992062142E+03 0.77945E-04 -0.57770E-04 832 0.127E-01 0.809E-02
DAV: 4 -0.115992035016E+03 0.27126E-04 -0.38552E-04 704 0.128E-01 0.163E-02
DAV: 5 -0.115992040121E+03 -0.51056E-05 -0.98372E-05 840 0.543E-02
71 F= -.11599204E+03 E0= -.11597326E+03 d E =-.266536E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.115989390978E+03 0.26440E-02 -0.20558E+00 640 0.775E+00 0.317E-01
DAV: 2 -0.115993414156E+03 -0.40232E-02 -0.45777E-02 744 0.998E-01 0.169E-01
DAV: 3 -0.115993282115E+03 0.13204E-03 -0.92812E-04 848 0.161E-01 0.102E-01
DAV: 4 -0.115993220215E+03 0.61901E-04 -0.62624E-04 712 0.163E-01 0.214E-02
DAV: 5 -0.115993227996E+03 -0.77814E-05 -0.16009E-04 864 0.697E-02 0.208E-02
DAV: 6 -0.115993226258E+03 0.17381E-05 -0.29033E-05 696 0.314E-02
72 F= -.11599323E+03 E0= -.11597444E+03 d E =-.385150E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.115993608300E+03 -0.38030E-03 -0.11138E+00 640 0.570E+00 0.223E-01
DAV: 2 -0.115995813877E+03 -0.22056E-02 -0.24801E-02 760 0.727E-01 0.126E-01
DAV: 3 -0.115995756464E+03 0.57413E-04 -0.49666E-04 856 0.119E-01 0.764E-02
DAV: 4 -0.115995751621E+03 0.48429E-05 -0.36379E-04 704 0.120E-01 0.179E-02
DAV: 5 -0.115995754890E+03 -0.32689E-05 -0.82526E-05 832 0.506E-02
73 F= -.11599575E+03 E0= -.11597697E+03 d E =-.252863E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.115989406175E+03 0.63454E-02 -0.44164E+00 640 0.114E+01 0.445E-01
DAV: 2 -0.115998167565E+03 -0.87614E-02 -0.99132E-02 760 0.145E+00 0.250E-01
DAV: 3 -0.115997918074E+03 0.24949E-03 -0.19919E-03 856 0.238E-01 0.153E-01
DAV: 4 -0.115997877351E+03 0.40722E-04 -0.15497E-03 768 0.248E-01 0.386E-02
DAV: 5 -0.115997878301E+03 -0.94943E-06 -0.33843E-04 832 0.103E-01 0.322E-02
DAV: 6 -0.115997873190E+03 0.51109E-05 -0.96768E-05 768 0.539E-02
74 F= -.11599787E+03 E0= -.11597909E+03 d E =-.464693E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.115997764847E+03 0.11345E-03 -0.16199E+00 640 0.688E+00 0.283E-01
DAV: 2 -0.116000972121E+03 -0.32073E-02 -0.35963E-02 760 0.880E-01 0.156E-01
DAV: 3 -0.116000865857E+03 0.10626E-03 -0.68957E-04 824 0.145E-01 0.945E-02
DAV: 4 -0.116000839664E+03 0.26193E-04 -0.56115E-04 696 0.153E-01 0.227E-02
DAV: 5 -0.116000840178E+03 -0.51347E-06 -0.13009E-04 864 0.667E-02 0.186E-02
DAV: 6 -0.116000839017E+03 0.11608E-05 -0.31850E-05 688 0.321E-02
75 F= -.11600084E+03 E0= -.11598206E+03 d E =-.296583E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.115999189768E+03 0.16504E-02 -0.13363E+00 640 0.625E+00 0.256E-01
DAV: 2 -0.116001826323E+03 -0.26366E-02 -0.29632E-02 752 0.799E-01 0.142E-01
DAV: 3 -0.116001727899E+03 0.98424E-04 -0.57249E-04 848 0.132E-01 0.862E-02
DAV: 4 -0.116001696438E+03 0.31461E-04 -0.47228E-04 752 0.140E-01 0.209E-02
DAV: 5 -0.116001697048E+03 -0.61006E-06 -0.10943E-04 848 0.614E-02 0.169E-02
DAV: 6 -0.116001696610E+03 0.43850E-06 -0.26549E-05 704 0.294E-02
76 F= -.11600170E+03 E0= -.11598292E+03 d E =-.382342E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116001165387E+03 0.53166E-03 -0.19999E+00 640 0.765E+00 0.306E-01
DAV: 2 -0.116004957157E+03 -0.37918E-02 -0.43112E-02 776 0.967E-01 0.180E-01
DAV: 3 -0.116004801376E+03 0.15578E-03 -0.87516E-04 864 0.163E-01 0.108E-01
DAV: 4 -0.116004773264E+03 0.28112E-04 -0.59016E-04 736 0.151E-01 0.198E-02
DAV: 5 -0.116004779461E+03 -0.61964E-05 -0.13679E-04 848 0.650E-02 0.156E-02
DAV: 6 -0.116004780077E+03 -0.61619E-06 -0.12536E-05 560 0.202E-02
77 F= -.11600478E+03 E0= -.11598600E+03 d E =-.308347E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116002849524E+03 0.19299E-02 -0.15523E+00 640 0.674E+00 0.270E-01
DAV: 2 -0.116005782348E+03 -0.29328E-02 -0.33473E-02 776 0.852E-01 0.158E-01
DAV: 3 -0.116005665860E+03 0.11649E-03 -0.67550E-04 872 0.143E-01 0.948E-02
DAV: 4 -0.116005640675E+03 0.25185E-04 -0.46035E-04 736 0.134E-01 0.176E-02
DAV: 5 -0.116005645577E+03 -0.49019E-05 -0.10662E-04 864 0.573E-02 0.140E-02
DAV: 6 -0.116005646714E+03 -0.11370E-05 -0.10109E-05 576 0.183E-02
78 F= -.11600565E+03 E0= -.11598686E+03 d E =-.395010E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116005180965E+03 0.46461E-03 -0.16019E+00 640 0.686E+00 0.292E-01
DAV: 2 -0.116008203943E+03 -0.30230E-02 -0.34562E-02 744 0.869E-01 0.166E-01
DAV: 3 -0.116008075232E+03 0.12871E-03 -0.74952E-04 840 0.148E-01 0.969E-02
DAV: 4 -0.116008043480E+03 0.31753E-04 -0.44851E-04 752 0.131E-01 0.173E-02
DAV: 5 -0.116008048438E+03 -0.49583E-05 -0.10511E-04 808 0.562E-02 0.134E-02
DAV: 6 -0.116008048979E+03 -0.54062E-06 -0.70692E-06 576 0.142E-02
79 F= -.11600805E+03 E0= -.11598927E+03 d E =-.240226E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116007782133E+03 0.26631E-03 -0.28789E-01 640 0.291E+00 0.124E-01
DAV: 2 -0.116008327743E+03 -0.54561E-03 -0.62326E-03 768 0.369E-01 0.705E-02
DAV: 3 -0.116008304997E+03 0.22746E-04 -0.13357E-04 848 0.628E-02 0.411E-02
DAV: 4 -0.116008301096E+03 0.39006E-05 -0.80445E-05 776 0.564E-02
80 F= -.11600830E+03 E0= -.11598952E+03 d E =-.265438E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116007889578E+03 0.41542E-03 -0.13776E+00 640 0.635E+00 0.268E-01
DAV: 2 -0.116010537417E+03 -0.26478E-02 -0.30658E-02 792 0.818E-01 0.158E-01
DAV: 3 -0.116010413479E+03 0.12394E-03 -0.76317E-04 848 0.153E-01 0.905E-02
DAV: 4 -0.116010394207E+03 0.19272E-04 -0.29610E-04 736 0.103E-01 0.185E-02
DAV: 5 -0.116010400869E+03 -0.66619E-05 -0.68980E-05 816 0.433E-02
81 F= -.11601040E+03 E0= -.11599162E+03 d E =-.209977E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116010353157E+03 0.41050E-04 -0.82742E-02 656 0.156E+00 0.671E-02
DAV: 2 -0.116010516162E+03 -0.16301E-03 -0.18691E-03 816 0.202E-01 0.377E-02
DAV: 3 -0.116010510752E+03 0.54095E-05 -0.40423E-05 784 0.362E-02
82 F= -.11601051E+03 E0= -.11599173E+03 d E =-.220966E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116011102994E+03 -0.58683E-03 -0.87014E-01 640 0.503E+00 0.221E-01
DAV: 2 -0.116012583927E+03 -0.14809E-02 -0.17914E-02 768 0.634E-01 0.129E-01
DAV: 3 -0.116012496416E+03 0.87511E-04 -0.46160E-04 872 0.122E-01 0.725E-02
DAV: 4 -0.116012486844E+03 0.95714E-05 -0.23753E-04 712 0.878E-02 0.147E-02
DAV: 5 -0.116012489204E+03 -0.23595E-05 -0.51256E-05 832 0.414E-02
83 F= -.11601249E+03 E0= -.11599371E+03 d E =-.197845E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116011867497E+03 0.61935E-03 -0.70468E-01 640 0.453E+00 0.199E-01
DAV: 2 -0.116013100671E+03 -0.12332E-02 -0.14794E-02 768 0.576E-01 0.115E-01
DAV: 3 -0.116013031943E+03 0.68728E-04 -0.37084E-04 880 0.109E-01 0.651E-02
DAV: 4 -0.116013022963E+03 0.89809E-05 -0.19354E-04 712 0.793E-02 0.132E-02
DAV: 5 -0.116013025303E+03 -0.23400E-05 -0.41713E-05 816 0.373E-02
84 F= -.11601303E+03 E0= -.11599424E+03 d E =-.251455E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116013729049E+03 -0.70609E-03 -0.38384E-01 640 0.335E+00 0.145E-01
DAV: 2 -0.116014394284E+03 -0.66524E-03 -0.78907E-03 744 0.418E-01 0.822E-02
DAV: 3 -0.116014368718E+03 0.25566E-04 -0.17352E-04 848 0.746E-02 0.475E-02
DAV: 4 -0.116014370683E+03 -0.19644E-05 -0.11124E-04 728 0.618E-02 0.933E-03
DAV: 5 -0.116014371693E+03 -0.10098E-05 -0.21244E-05 680 0.288E-02
85 F= -.11601437E+03 E0= -.11599559E+03 d E =-.134639E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116011837984E+03 0.25327E-02 -0.24795E+00 640 0.851E+00 0.366E-01
DAV: 2 -0.116016126999E+03 -0.42890E-02 -0.51327E-02 744 0.106E+00 0.210E-01
DAV: 3 -0.116015935613E+03 0.19139E-03 -0.11381E-03 872 0.193E-01 0.123E-01
DAV: 4 -0.116015912653E+03 0.22960E-04 -0.79699E-04 744 0.166E-01 0.255E-02
DAV: 5 -0.116015910918E+03 0.17352E-05 -0.15897E-04 808 0.768E-02 0.165E-02
DAV: 6 -0.116015913045E+03 -0.21271E-05 -0.32279E-05 744 0.289E-02
86 F= -.11601591E+03 E0= -.11599713E+03 d E =-.288774E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116016725548E+03 -0.81463E-03 -0.52697E-01 640 0.393E+00 0.168E-01
DAV: 2 -0.116017673121E+03 -0.94757E-03 -0.11231E-02 768 0.497E-01 0.984E-02
DAV: 3 -0.116017628368E+03 0.44753E-04 -0.27100E-04 800 0.906E-02 0.567E-02
DAV: 4 -0.116017624123E+03 0.42456E-05 -0.16059E-04 736 0.756E-02 0.117E-02
DAV: 5 -0.116017625240E+03 -0.11175E-05 -0.34000E-05 784 0.347E-02
87 F= -.11601763E+03 E0= -.11599885E+03 d E =-.171219E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116016929091E+03 0.69503E-03 -0.92185E-01 640 0.519E+00 0.220E-01
DAV: 2 -0.116018588750E+03 -0.16597E-02 -0.19699E-02 776 0.658E-01 0.130E-01
DAV: 3 -0.116018501767E+03 0.86983E-04 -0.45116E-04 856 0.118E-01 0.757E-02
DAV: 4 -0.116018487094E+03 0.14672E-04 -0.30706E-04 768 0.103E-01 0.161E-02
DAV: 5 -0.116018487641E+03 -0.54633E-06 -0.63334E-05 856 0.474E-02
88 F= -.11601849E+03 E0= -.11599971E+03 d E =-.257460E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116018909825E+03 -0.42273E-03 -0.50279E-01 640 0.383E+00 0.163E-01
DAV: 2 -0.116019813337E+03 -0.90351E-03 -0.10726E-02 760 0.487E-01 0.940E-02
DAV: 3 -0.116019772447E+03 0.40890E-04 -0.24244E-04 832 0.838E-02 0.544E-02
DAV: 4 -0.116019760532E+03 0.11915E-04 -0.13544E-04 712 0.703E-02 0.892E-03
DAV: 5 -0.116019762449E+03 -0.19173E-05 -0.28427E-05 696 0.306E-02
89 F= -.11601976E+03 E0= -.11600098E+03 d E =-.127481E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116019488998E+03 0.27153E-03 -0.38698E-01 640 0.336E+00 0.143E-01
DAV: 2 -0.116020182012E+03 -0.69301E-03 -0.82429E-03 768 0.427E-01 0.824E-02
DAV: 3 -0.116020148516E+03 0.33496E-04 -0.18697E-04 848 0.736E-02 0.477E-02
DAV: 4 -0.116020137563E+03 0.10953E-04 -0.10357E-04 736 0.614E-02 0.786E-03
DAV: 5 -0.116020139448E+03 -0.18852E-05 -0.21949E-05 728 0.270E-02
90 F= -.11602014E+03 E0= -.11600136E+03 d E =-.165181E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116020663140E+03 -0.52558E-03 -0.53100E-01 640 0.394E+00 0.164E-01
DAV: 2 -0.116021615395E+03 -0.95225E-03 -0.11184E-02 760 0.496E-01 0.965E-02
DAV: 3 -0.116021572936E+03 0.42459E-04 -0.24175E-04 864 0.859E-02 0.564E-02
DAV: 4 -0.116021566438E+03 0.64975E-05 -0.16455E-04 752 0.749E-02 0.107E-02
DAV: 5 -0.116021567814E+03 -0.13755E-05 -0.33008E-05 776 0.337E-02
91 F= -.11602157E+03 E0= -.11600279E+03 d E =-.142837E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116019539603E+03 0.20268E-02 -0.17907E+00 640 0.723E+00 0.302E-01
DAV: 2 -0.116022746911E+03 -0.32073E-02 -0.37717E-02 760 0.911E-01 0.178E-01
DAV: 3 -0.116022592773E+03 0.15414E-03 -0.82739E-04 864 0.159E-01 0.104E-01
DAV: 4 -0.116022564872E+03 0.27901E-04 -0.56588E-04 760 0.138E-01 0.202E-02
DAV: 5 -0.116022566859E+03 -0.19865E-05 -0.11372E-04 856 0.622E-02 0.142E-02
DAV: 6 -0.116022567202E+03 -0.34318E-06 -0.17869E-05 640 0.235E-02
92 F= -.11602257E+03 E0= -.11600379E+03 d E =-.242775E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116022718138E+03 -0.15128E-03 -0.77252E-01 640 0.475E+00 0.212E-01
DAV: 2 -0.116024061108E+03 -0.13430E-02 -0.16033E-02 752 0.595E-01 0.121E-01
DAV: 3 -0.116023983097E+03 0.78010E-04 -0.34952E-04 848 0.108E-01 0.704E-02
DAV: 4 -0.116023970136E+03 0.12962E-04 -0.27553E-04 760 0.978E-02 0.144E-02
DAV: 5 -0.116023969328E+03 0.80784E-06 -0.56079E-05 848 0.465E-02
93 F= -.11602397E+03 E0= -.11600519E+03 d E =-.140213E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116023159907E+03 0.81023E-03 -0.77119E-01 640 0.474E+00 0.212E-01
DAV: 2 -0.116024512839E+03 -0.13529E-02 -0.16095E-02 760 0.596E-01 0.121E-01
DAV: 3 -0.116024431597E+03 0.81242E-04 -0.35247E-04 856 0.110E-01 0.705E-02
DAV: 4 -0.116024417323E+03 0.14274E-04 -0.28429E-04 792 0.993E-02 0.150E-02
DAV: 5 -0.116024416296E+03 0.10268E-05 -0.58610E-05 856 0.485E-02
94 F= -.11602442E+03 E0= -.11600564E+03 d E =-.184909E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116024929861E+03 -0.51254E-03 -0.67223E-01 640 0.441E+00 0.199E-01
DAV: 2 -0.116026025293E+03 -0.10954E-02 -0.13363E-02 768 0.545E-01 0.118E-01
DAV: 3 -0.116025951777E+03 0.73516E-04 -0.35248E-04 872 0.110E-01 0.667E-02
DAV: 4 -0.116025945711E+03 0.60664E-05 -0.21379E-04 744 0.839E-02 0.133E-02
DAV: 5 -0.116025946142E+03 -0.43154E-06 -0.43731E-05 848 0.421E-02
95 F= -.11602595E+03 E0= -.11600717E+03 d E =-.152985E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116024424211E+03 0.15215E-02 -0.16287E+00 640 0.687E+00 0.310E-01
DAV: 2 -0.116027062151E+03 -0.26379E-02 -0.32269E-02 768 0.847E-01 0.184E-01
DAV: 3 -0.116026875955E+03 0.18620E-03 -0.85817E-04 872 0.170E-01 0.104E-01
DAV: 4 -0.116026856570E+03 0.19385E-04 -0.50791E-04 768 0.130E-01 0.204E-02
DAV: 5 -0.116026856860E+03 -0.29018E-06 -0.10297E-04 864 0.638E-02 0.129E-02
DAV: 6 -0.116026858953E+03 -0.20929E-05 -0.14919E-05 640 0.207E-02
96 F= -.11602686E+03 E0= -.11600808E+03 d E =-.244266E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116027585874E+03 -0.72901E-03 -0.84682E-01 640 0.495E+00 0.225E-01
DAV: 2 -0.116028832493E+03 -0.12466E-02 -0.15635E-02 736 0.593E-01 0.135E-01
DAV: 3 -0.116028750982E+03 0.81511E-04 -0.45603E-04 856 0.117E-01 0.697E-02
DAV: 4 -0.116028751549E+03 -0.56735E-06 -0.18768E-04 712 0.773E-02 0.113E-02
DAV: 5 -0.116028755070E+03 -0.35210E-05 -0.32011E-05 728 0.306E-02
97 F= -.11602876E+03 E0= -.11600997E+03 d E =-.189612E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116025023760E+03 0.37278E-02 -0.39978E+00 640 0.108E+01 0.486E-01
DAV: 2 -0.116030931729E+03 -0.59080E-02 -0.74118E-02 736 0.129E+00 0.292E-01
DAV: 3 -0.116030512873E+03 0.41886E-03 -0.21695E-03 872 0.254E-01 0.152E-01
DAV: 4 -0.116030478672E+03 0.34201E-04 -0.90492E-04 744 0.169E-01 0.244E-02
DAV: 5 -0.116030489447E+03 -0.10774E-04 -0.15712E-04 840 0.669E-02 0.190E-02
DAV: 6 -0.116030491161E+03 -0.17142E-05 -0.13894E-05 584 0.237E-02
98 F= -.11603049E+03 E0= -.11601171E+03 d E =-.363221E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116031058367E+03 -0.56892E-03 -0.82057E-01 640 0.489E+00 0.223E-01
DAV: 2 -0.116032322841E+03 -0.12645E-02 -0.15496E-02 752 0.591E-01 0.133E-01
DAV: 3 -0.116032240586E+03 0.82254E-04 -0.38510E-04 824 0.114E-01 0.718E-02
DAV: 4 -0.116032243195E+03 -0.26087E-05 -0.23984E-04 744 0.873E-02 0.131E-02
DAV: 5 -0.116032244788E+03 -0.15934E-05 -0.40611E-05 744 0.386E-02
99 F= -.11603224E+03 E0= -.11601346E+03 d E =-.175363E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116028984181E+03 0.32590E-02 -0.33065E+00 640 0.981E+00 0.448E-01
DAV: 2 -0.116034066286E+03 -0.50821E-02 -0.62712E-02 736 0.119E+00 0.266E-01
DAV: 3 -0.116033709247E+03 0.35704E-03 -0.15584E-03 848 0.230E-01 0.145E-01
DAV: 4 -0.116033686862E+03 0.22385E-04 -0.99678E-04 744 0.178E-01 0.269E-02
DAV: 5 -0.116033685670E+03 0.11920E-05 -0.17496E-04 840 0.804E-02 0.180E-02
DAV: 6 -0.116033687948E+03 -0.22780E-05 -0.36611E-05 768 0.319E-02
100 F= -.11603369E+03 E0= -.11601490E+03 d E =-.319679E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116033861263E+03 -0.17559E-03 -0.13913E+00 640 0.636E+00 0.295E-01
DAV: 2 -0.116036020505E+03 -0.21592E-02 -0.26561E-02 736 0.775E-01 0.172E-01
DAV: 3 -0.116035863604E+03 0.15690E-03 -0.58899E-04 856 0.146E-01 0.962E-02
DAV: 4 -0.116035850787E+03 0.12817E-04 -0.51324E-04 736 0.131E-01 0.201E-02
DAV: 5 -0.116035848115E+03 0.26714E-05 -0.96192E-05 872 0.603E-02
101 F= -.11603585E+03 E0= -.11601706E+03 d E =-.216017E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116028906952E+03 0.69438E-02 -0.62662E+00 640 0.135E+01 0.624E-01
DAV: 2 -0.116038718645E+03 -0.98117E-02 -0.12056E-01 720 0.165E+00 0.365E-01
DAV: 3 -0.116037965047E+03 0.75360E-03 -0.26858E-03 856 0.314E-01 0.207E-01
DAV: 4 -0.116037885699E+03 0.79348E-04 -0.24256E-03 744 0.285E-01 0.446E-02
DAV: 5 -0.116037866202E+03 0.19497E-04 -0.45294E-04 864 0.133E-01 0.298E-02
DAV: 6 -0.116037866299E+03 -0.97446E-07 -0.11898E-04 752 0.584E-02 0.154E-02
DAV: 7 -0.116037865510E+03 0.78931E-06 -0.93270E-06 608 0.206E-02
102 F= -.11603787E+03 E0= -.11601908E+03 d E =-.417756E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116038384985E+03 -0.51869E-03 -0.14338E+00 640 0.644E+00 0.290E-01
DAV: 2 -0.116040571513E+03 -0.21865E-02 -0.27239E-02 712 0.779E-01 0.172E-01
DAV: 3 -0.116040433387E+03 0.13813E-03 -0.69779E-04 848 0.145E-01 0.930E-02
DAV: 4 -0.116040421226E+03 0.12161E-04 -0.37997E-04 728 0.114E-01 0.154E-02
DAV: 5 -0.116040425958E+03 -0.47317E-05 -0.69531E-05 832 0.470E-02
103 F= -.11604043E+03 E0= -.11602164E+03 d E =-.256045E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116038754218E+03 0.16670E-02 -0.26337E+00 640 0.872E+00 0.392E-01
DAV: 2 -0.116042829082E+03 -0.40749E-02 -0.50007E-02 712 0.105E+00 0.232E-01
DAV: 3 -0.116042579309E+03 0.24977E-03 -0.12435E-03 864 0.195E-01 0.126E-01
DAV: 4 -0.116042554799E+03 0.24510E-04 -0.69686E-04 752 0.153E-01 0.209E-02
DAV: 5 -0.116042559533E+03 -0.47337E-05 -0.12554E-04 856 0.638E-02 0.163E-02
DAV: 6 -0.116042560835E+03 -0.13021E-05 -0.26171E-05 672 0.302E-02
104 F= -.11604256E+03 E0= -.11602377E+03 d E =-.469532E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116026666750E+03 0.15893E-01 -0.10521E+01 640 0.174E+01 0.784E-01
DAV: 2 -0.116042950236E+03 -0.16283E-01 -0.19996E-01 712 0.211E+00 0.466E-01
DAV: 3 -0.116041878194E+03 0.10720E-02 -0.51680E-03 864 0.393E-01 0.253E-01
DAV: 4 -0.116041735078E+03 0.14312E-03 -0.26859E-03 752 0.303E-01 0.409E-02
DAV: 5 -0.116041759020E+03 -0.23941E-04 -0.48891E-04 856 0.124E-01 0.322E-02
DAV: 6 -0.116041761543E+03 -0.25234E-05 -0.97529E-05 744 0.582E-02
105 F= -.11604176E+03 E0= -.11602297E+03 d E =-.389603E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116037978109E+03 0.37809E-02 -0.36256E+00 640 0.102E+01 0.456E-01
DAV: 2 -0.116043493694E+03 -0.55156E-02 -0.68858E-02 696 0.124E+00 0.273E-01
DAV: 3 -0.116043125683E+03 0.36801E-03 -0.17375E-03 840 0.232E-01 0.150E-01
DAV: 4 -0.116043077320E+03 0.48363E-04 -0.10710E-03 728 0.189E-01 0.270E-02
DAV: 5 -0.116043081446E+03 -0.41254E-05 -0.19132E-04 832 0.785E-02 0.203E-02
DAV: 6 -0.116043081186E+03 0.25948E-06 -0.46218E-05 736 0.388E-02
106 F= -.11604308E+03 E0= -.11602429E+03 d E =-.521568E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116041035977E+03 0.20455E-02 -0.28805E+00 640 0.914E+00 0.399E-01
DAV: 2 -0.116045610003E+03 -0.45740E-02 -0.55983E-02 696 0.111E+00 0.240E-01
DAV: 3 -0.116045328518E+03 0.28149E-03 -0.13551E-03 840 0.203E-01 0.132E-01
DAV: 4 -0.116045288824E+03 0.39694E-04 -0.84132E-04 768 0.168E-01 0.254E-02
DAV: 5 -0.116045288916E+03 -0.91693E-07 -0.14410E-04 856 0.707E-02 0.184E-02
DAV: 6 -0.116045288360E+03 0.55567E-06 -0.44292E-05 792 0.384E-02
107 F= -.11604529E+03 E0= -.11602650E+03 d E =-.220717E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116042901546E+03 0.23874E-02 -0.19077E+00 640 0.744E+00 0.328E-01
DAV: 2 -0.116045954225E+03 -0.30527E-02 -0.37184E-02 688 0.908E-01 0.196E-01
DAV: 3 -0.116045786000E+03 0.16823E-03 -0.89828E-04 832 0.164E-01 0.106E-01
DAV: 4 -0.116045765138E+03 0.20862E-04 -0.50934E-04 784 0.130E-01 0.194E-02
DAV: 5 -0.116045766821E+03 -0.16835E-05 -0.88765E-05 864 0.552E-02
108 F= -.11604577E+03 E0= -.11602698E+03 d E =-.268564E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116045669699E+03 0.95439E-04 -0.77153E-01 640 0.476E+00 0.221E-01
DAV: 2 -0.116047074507E+03 -0.14048E-02 -0.16669E-02 768 0.616E-01 0.123E-01
DAV: 3 -0.116046972131E+03 0.10238E-03 -0.34024E-04 864 0.114E-01 0.726E-02
DAV: 4 -0.116046947764E+03 0.24367E-04 -0.36198E-04 736 0.116E-01 0.190E-02
DAV: 5 -0.116046944070E+03 0.36939E-05 -0.76891E-05 872 0.555E-02
109 F= -.11604694E+03 E0= -.11602816E+03 d E =-.117725E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116046882955E+03 0.64809E-04 -0.71121E-02 640 0.145E+00 0.684E-02
DAV: 2 -0.116047016608E+03 -0.13365E-03 -0.15839E-03 776 0.190E-01 0.375E-02
DAV: 3 -0.116047006366E+03 0.10242E-04 -0.30914E-05 744 0.364E-02 0.223E-02
DAV: 4 -0.116047004447E+03 0.19191E-05 -0.40017E-05 688 0.393E-02
110 F= -.11604700E+03 E0= -.11602822E+03 d E =-.123763E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116047342573E+03 -0.33621E-03 -0.20796E-01 640 0.246E+00 0.117E-01
DAV: 2 -0.116047695730E+03 -0.35316E-03 -0.42779E-03 792 0.313E-01 0.641E-02
DAV: 3 -0.116047666303E+03 0.29427E-04 -0.99262E-05 872 0.619E-02 0.367E-02
DAV: 4 -0.116047664738E+03 0.15651E-05 -0.90010E-05 728 0.562E-02
111 F= -.11604766E+03 E0= -.11602888E+03 d E =-.660291E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116047720724E+03 -0.54421E-04 -0.12916E-02 656 0.613E-01 0.325E-02
DAV: 2 -0.116047744351E+03 -0.23627E-04 -0.28397E-04 784 0.809E-02 0.170E-02
DAV: 3 -0.116047743323E+03 0.10277E-05 -0.63406E-06 608 0.173E-02
112 F= -.11604774E+03 E0= -.11602895E+03 d E =-.738876E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116047723082E+03 0.21268E-04 -0.49828E-02 640 0.121E+00 0.575E-02
DAV: 2 -0.116047803083E+03 -0.80000E-04 -0.98177E-04 800 0.150E-01 0.310E-02
DAV: 3 -0.116047797114E+03 0.59689E-05 -0.21438E-05 720 0.283E-02
113 F= -.11604780E+03 E0= -.11602901E+03 d E =-.792667E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116048040796E+03 -0.23771E-03 -0.99688E-02 640 0.172E+00 0.816E-02
DAV: 2 -0.116048218816E+03 -0.17802E-03 -0.22619E-03 808 0.228E-01 0.463E-02
DAV: 3 -0.116048204798E+03 0.14019E-04 -0.67510E-05 856 0.481E-02 0.258E-02
DAV: 4 -0.116048203316E+03 0.14813E-05 -0.35919E-05 672 0.377E-02
114 F= -.11604820E+03 E0= -.11602941E+03 d E =-.406202E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116048223998E+03 -0.19200E-04 -0.10719E-02 656 0.562E-01 0.284E-02
DAV: 2 -0.116048243941E+03 -0.19943E-04 -0.25973E-04 824 0.777E-02 0.156E-02
DAV: 3 -0.116048242130E+03 0.18103E-05 -0.63153E-06 600 0.169E-02
115 F= -.11604824E+03 E0= -.11602945E+03 d E =-.445016E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116048445477E+03 -0.20154E-03 -0.36938E-02 640 0.105E+00 0.531E-02
DAV: 2 -0.116048527820E+03 -0.82343E-04 -0.96905E-04 840 0.148E-01 0.294E-02
DAV: 3 -0.116048520061E+03 0.77589E-05 -0.19252E-05 616 0.297E-02
116 F= -.11604852E+03 E0= -.11602973E+03 d E =-.277931E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116048530772E+03 -0.29520E-05 -0.15907E-02 720 0.691E-01 0.361E-02
DAV: 2 -0.116048561641E+03 -0.30869E-04 -0.37741E-04 872 0.927E-02 0.193E-02
DAV: 3 -0.116048558715E+03 0.29257E-05 -0.73073E-06 576 0.178E-02
117 F= -.11604856E+03 E0= -.11602977E+03 d E =-.316585E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116048733595E+03 -0.17195E-03 -0.20251E-02 640 0.772E-01 0.370E-02
DAV: 2 -0.116048761920E+03 -0.28326E-04 -0.38262E-04 880 0.945E-02 0.217E-02
DAV: 3 -0.116048758644E+03 0.32763E-05 -0.10038E-05 616 0.210E-02
118 F= -.11604876E+03 E0= -.11602997E+03 d E =-.199929E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116048794403E+03 -0.32482E-04 -0.18389E-01 640 0.232E+00 0.110E-01
DAV: 2 -0.116049063669E+03 -0.26927E-03 -0.36051E-03 840 0.290E-01 0.654E-02
DAV: 3 -0.116049031465E+03 0.32204E-04 -0.97119E-05 912 0.625E-02 0.364E-02
DAV: 4 -0.116049030779E+03 0.68620E-06 -0.97089E-05 728 0.589E-02
119 F= -.11604903E+03 E0= -.11603024E+03 d E =-.472064E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116049255220E+03 -0.22375E-03 -0.27858E-02 640 0.900E-01 0.483E-02
DAV: 2 -0.116049301745E+03 -0.46525E-04 -0.67873E-04 848 0.128E-01 0.267E-02
DAV: 3 -0.116049297277E+03 0.44679E-05 -0.21054E-05 696 0.292E-02
120 F= -.11604930E+03 E0= -.11603051E+03 d E =-.266498E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116049295285E+03 0.64596E-05 -0.88615E-02 640 0.161E+00 0.850E-02
DAV: 2 -0.116049429076E+03 -0.13379E-03 -0.19441E-03 856 0.216E-01 0.465E-02
DAV: 3 -0.116049414135E+03 0.14941E-04 -0.65098E-05 800 0.463E-02 0.262E-02
DAV: 4 -0.116049410827E+03 0.33080E-05 -0.43641E-05 656 0.423E-02
121 F= -.11604941E+03 E0= -.11603062E+03 d E =-.380048E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116049413810E+03 0.32508E-06 -0.89013E-03 672 0.511E-01 0.245E-02
DAV: 2 -0.116049428245E+03 -0.14435E-04 -0.19363E-04 848 0.679E-02 0.143E-02
DAV: 3 -0.116049426811E+03 0.14343E-05 -0.54903E-06 568 0.137E-02
122 F= -.11604943E+03 E0= -.11603064E+03 d E =-.396032E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116049582919E+03 -0.15467E-03 -0.15288E-02 640 0.673E-01 0.297E-02
DAV: 2 -0.116049609018E+03 -0.26099E-04 -0.34969E-04 792 0.910E-02 0.174E-02
DAV: 3 -0.116049606475E+03 0.25432E-05 -0.88237E-06 600 0.203E-02
123 F= -.11604961E+03 E0= -.11603082E+03 d E =-.179664E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116049663861E+03 -0.54843E-04 -0.13508E-01 640 0.200E+00 0.928E-02
DAV: 2 -0.116049868675E+03 -0.20481E-03 -0.29186E-03 824 0.264E-01 0.520E-02
DAV: 3 -0.116049849282E+03 0.19392E-04 -0.92582E-05 832 0.584E-02 0.303E-02
DAV: 4 -0.116049846840E+03 0.24422E-05 -0.81990E-05 680 0.591E-02
124 F= -.11604985E+03 E0= -.11603106E+03 d E =-.420029E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116049971757E+03 -0.12247E-03 -0.11468E-02 640 0.576E-01 0.315E-02
DAV: 2 -0.116049990996E+03 -0.19239E-04 -0.31702E-04 784 0.881E-02 0.175E-02
DAV: 3 -0.116049989175E+03 0.18207E-05 -0.90270E-06 592 0.215E-02
125 F= -.11604999E+03 E0= -.11603120E+03 d E =-.142335E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116050074603E+03 -0.83608E-04 -0.10074E-01 640 0.171E+00 0.824E-02
DAV: 2 -0.116050232260E+03 -0.15766E-03 -0.23053E-03 776 0.234E-01 0.477E-02
DAV: 3 -0.116050219133E+03 0.13127E-04 -0.60741E-05 848 0.498E-02 0.291E-02
DAV: 4 -0.116050220641E+03 -0.15083E-05 -0.94582E-05 728 0.605E-02
126 F= -.11605022E+03 E0= -.11603143E+03 d E =-.373801E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116050332767E+03 -0.11363E-03 -0.59738E-03 656 0.414E-01 0.248E-02
DAV: 2 -0.116050342955E+03 -0.10189E-04 -0.18443E-04 816 0.694E-02 0.146E-02
DAV: 3 -0.116050341506E+03 0.14494E-05 -0.82107E-06 560 0.196E-02
127 F= -.11605034E+03 E0= -.11603155E+03 d E =-.120865E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116050399521E+03 -0.56566E-04 -0.52206E-02 640 0.123E+00 0.640E-02
DAV: 2 -0.116050478039E+03 -0.78518E-04 -0.11222E-03 840 0.165E-01 0.390E-02
DAV: 3 -0.116050465380E+03 0.12659E-04 -0.40657E-05 800 0.422E-02 0.224E-02
DAV: 4 -0.116050465289E+03 0.91565E-07 -0.49237E-05 712 0.398E-02
128 F= -.11605047E+03 E0= -.11603168E+03 d E =-.244647E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116050465404E+03 -0.24340E-07 -0.30729E-03 688 0.298E-01 0.136E-02
DAV: 2 -0.116050469403E+03 -0.39984E-05 -0.54971E-05 816 0.370E-02
129 F= -.11605047E+03 E0= -.11603168E+03 d E =-.248762E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116050560127E+03 -0.94723E-04 -0.12793E-02 640 0.617E-01 0.292E-02
DAV: 2 -0.116050586316E+03 -0.26189E-04 -0.30117E-04 808 0.845E-02 0.148E-02
DAV: 3 -0.116050584305E+03 0.20114E-05 -0.63118E-06 560 0.169E-02
130 F= -.11605058E+03 E0= -.11603180E+03 d E =-.114902E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116050599705E+03 -0.13389E-04 -0.31671E-02 656 0.970E-01 0.487E-02
DAV: 2 -0.116050654490E+03 -0.54785E-04 -0.67812E-04 840 0.127E-01 0.252E-02
DAV: 3 -0.116050649388E+03 0.51022E-05 -0.15863E-05 608 0.254E-02
131 F= -.11605065E+03 E0= -.11603186E+03 d E =-.179985E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116050735475E+03 -0.80985E-04 -0.89114E-03 664 0.510E-01 0.240E-02
DAV: 2 -0.116050748550E+03 -0.13075E-04 -0.17269E-04 840 0.638E-02 0.138E-02
DAV: 3 -0.116050747965E+03 0.58569E-06 -0.59046E-06 552 0.139E-02
132 F= -.11605075E+03 E0= -.11603196E+03 d E =-.985764E-04
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116050764792E+03 -0.16242E-04 -0.82134E-02 640 0.155E+00 0.690E-02
DAV: 2 -0.116050898805E+03 -0.13401E-03 -0.16935E-03 800 0.199E-01 0.401E-02
DAV: 3 -0.116050890296E+03 0.85086E-05 -0.44474E-05 856 0.378E-02
133 F= -.11605089E+03 E0= -.11603210E+03 d E =-.240908E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116051030134E+03 -0.13133E-03 -0.22277E-02 640 0.800E-01 0.390E-02
DAV: 2 -0.116051060983E+03 -0.30849E-04 -0.44275E-04 848 0.104E-01 0.229E-02
DAV: 3 -0.116051058576E+03 0.24066E-05 -0.21337E-05 648 0.289E-02
134 F= -.11605106E+03 E0= -.11603227E+03 d E =-.168280E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116051068724E+03 -0.77414E-05 -0.73019E-02 640 0.144E+00 0.671E-02
DAV: 2 -0.116051180984E+03 -0.11226E-03 -0.14783E-03 848 0.187E-01 0.404E-02
DAV: 3 -0.116051170483E+03 0.10501E-04 -0.50946E-05 832 0.451E-02 0.221E-02
DAV: 4 -0.116051169447E+03 0.10360E-05 -0.26605E-05 528 0.328E-02
135 F= -.11605117E+03 E0= -.11603238E+03 d E =-.279151E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116051268326E+03 -0.97842E-04 -0.15376E-02 640 0.662E-01 0.315E-02
DAV: 2 -0.116051292376E+03 -0.24050E-04 -0.30533E-04 792 0.838E-02 0.179E-02
DAV: 3 -0.116051290838E+03 0.15384E-05 -0.73229E-06 600 0.192E-02
136 F= -.11605129E+03 E0= -.11603250E+03 d E =-.121390E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116051299266E+03 -0.68896E-05 -0.13685E-01 640 0.198E+00 0.906E-02
DAV: 2 -0.116051505479E+03 -0.20621E-03 -0.25888E-03 768 0.244E-01 0.523E-02
DAV: 3 -0.116051490165E+03 0.15313E-04 -0.74772E-05 864 0.536E-02 0.297E-02
DAV: 4 -0.116051489221E+03 0.94448E-06 -0.54504E-05 688 0.467E-02
137 F= -.11605149E+03 E0= -.11603270E+03 d E =-.319773E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116051651604E+03 -0.16144E-03 -0.19349E-02 656 0.749E-01 0.365E-02
DAV: 2 -0.116051689138E+03 -0.37533E-04 -0.47256E-04 848 0.104E-01 0.206E-02
DAV: 3 -0.116051686457E+03 0.26804E-05 -0.11402E-05 544 0.225E-02
138 F= -.11605169E+03 E0= -.11603290E+03 d E =-.197237E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116051609815E+03 0.79323E-04 -0.12230E-01 672 0.188E+00 0.871E-02
DAV: 2 -0.116051842465E+03 -0.23265E-03 -0.28312E-03 864 0.253E-01 0.509E-02
DAV: 3 -0.116051823684E+03 0.18781E-04 -0.74888E-05 824 0.522E-02 0.290E-02
DAV: 4 -0.116051820236E+03 0.34479E-05 -0.36484E-05 720 0.392E-02
139 F= -.11605182E+03 E0= -.11603303E+03 d E =-.331015E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116051815132E+03 0.85525E-05 -0.10628E-02 640 0.557E-01 0.233E-02
DAV: 2 -0.116051836889E+03 -0.21758E-04 -0.25326E-04 848 0.761E-02 0.149E-02
DAV: 3 -0.116051835578E+03 0.13117E-05 -0.59224E-06 576 0.150E-02
140 F= -.11605184E+03 E0= -.11603305E+03 d E =-.346357E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116051987341E+03 -0.15045E-03 -0.19835E-02 640 0.748E-01 0.350E-02
DAV: 2 -0.116052020260E+03 -0.32918E-04 -0.39803E-04 776 0.961E-02 0.212E-02
DAV: 3 -0.116052017500E+03 0.27593E-05 -0.13262E-05 576 0.229E-02
141 F= -.11605202E+03 E0= -.11603323E+03 d E =-.181923E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116052053425E+03 -0.33166E-04 -0.95357E-02 640 0.164E+00 0.805E-02
DAV: 2 -0.116052198336E+03 -0.14491E-03 -0.18051E-03 744 0.204E-01 0.476E-02
DAV: 3 -0.116052186322E+03 0.12015E-04 -0.68160E-05 856 0.475E-02 0.252E-02
DAV: 4 -0.116052184931E+03 0.13909E-05 -0.27619E-05 592 0.336E-02
142 F= -.11605218E+03 E0= -.11603340E+03 d E =-.349353E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116052350311E+03 -0.16399E-03 -0.43066E-02 640 0.110E+00 0.534E-02
DAV: 2 -0.116052413739E+03 -0.63429E-04 -0.80482E-04 832 0.138E-01 0.304E-02
DAV: 3 -0.116052408126E+03 0.56136E-05 -0.16249E-05 616 0.271E-02
143 F= -.11605241E+03 E0= -.11603362E+03 d E =-.223195E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116052353831E+03 0.59908E-04 -0.11669E-01 640 0.182E+00 0.866E-02
DAV: 2 -0.116052516830E+03 -0.16300E-03 -0.20758E-03 832 0.221E-01 0.492E-02
DAV: 3 -0.116052503762E+03 0.13068E-04 -0.46622E-05 848 0.417E-02 0.274E-02
DAV: 4 -0.116052502750E+03 0.10120E-05 -0.47424E-05 744 0.414E-02
144 F= -.11605250E+03 E0= -.11603371E+03 d E =-.317819E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116052494854E+03 0.89080E-05 -0.11854E-02 640 0.579E-01 0.256E-02
DAV: 2 -0.116052511436E+03 -0.16583E-04 -0.20284E-04 840 0.694E-02 0.160E-02
DAV: 3 -0.116052510223E+03 0.12138E-05 -0.45672E-06 544 0.139E-02
145 F= -.11605251E+03 E0= -.11603372E+03 d E =-.325292E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116052701766E+03 -0.19033E-03 -0.35487E-02 640 0.999E-01 0.456E-02
DAV: 2 -0.116052758328E+03 -0.56562E-04 -0.68093E-04 800 0.125E-01 0.273E-02
DAV: 3 -0.116052753403E+03 0.49247E-05 -0.15499E-05 608 0.241E-02
146 F= -.11605275E+03 E0= -.11603396E+03 d E =-.243181E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116052640719E+03 0.11761E-03 -0.27825E-01 640 0.280E+00 0.131E-01
DAV: 2 -0.116053055710E+03 -0.41499E-03 -0.51338E-03 776 0.343E-01 0.762E-02
DAV: 3 -0.116053022383E+03 0.33327E-04 -0.13333E-04 808 0.658E-02 0.412E-02
DAV: 4 -0.116053015583E+03 0.68002E-05 -0.84504E-05 728 0.554E-02
147 F= -.11605302E+03 E0= -.11603423E+03 d E =-.505360E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116052998542E+03 0.23842E-04 -0.99702E-03 640 0.530E-01 0.226E-02
DAV: 2 -0.116053012919E+03 -0.14377E-04 -0.17540E-04 792 0.639E-02 0.146E-02
DAV: 3 -0.116053012106E+03 0.81318E-06 -0.50862E-06 576 0.134E-02
148 F= -.11605301E+03 E0= -.11603422E+03 d E =-.501883E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116053221814E+03 -0.20889E-03 -0.67130E-02 640 0.137E+00 0.634E-02
DAV: 2 -0.116053317526E+03 -0.95713E-04 -0.12049E-03 752 0.167E-01 0.381E-02
DAV: 3 -0.116053309830E+03 0.76966E-05 -0.48857E-05 856 0.382E-02
149 F= -.11605331E+03 E0= -.11603452E+03 d E =-.297724E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116053338217E+03 -0.20691E-04 -0.86473E-02 640 0.155E+00 0.758E-02
DAV: 2 -0.116053450697E+03 -0.11248E-03 -0.14642E-03 760 0.184E-01 0.447E-02
DAV: 3 -0.116053442817E+03 0.78795E-05 -0.65442E-05 856 0.442E-02
150 F= -.11605344E+03 E0= -.11603465E+03 d E =-.430712E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116053647104E+03 -0.19641E-03 -0.65431E-02 640 0.134E+00 0.668E-02
DAV: 2 -0.116053729659E+03 -0.82555E-04 -0.10783E-03 760 0.158E-01 0.393E-02
DAV: 3 -0.116053724015E+03 0.56437E-05 -0.32676E-05 688 0.332E-02
151 F= -.11605372E+03 E0= -.11603494E+03 d E =-.281198E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116053496951E+03 0.23271E-03 -0.38517E-01 640 0.326E+00 0.155E-01
DAV: 2 -0.116054012171E+03 -0.51522E-03 -0.65414E-03 752 0.387E-01 0.915E-02
DAV: 3 -0.116053975418E+03 0.36754E-04 -0.19802E-04 832 0.810E-02 0.491E-02
DAV: 4 -0.116053975164E+03 0.25396E-06 -0.12885E-04 744 0.680E-02 0.120E-02
DAV: 5 -0.116053973644E+03 0.15200E-05 -0.21147E-05 720 0.300E-02
152 F= -.11605397E+03 E0= -.11603519E+03 d E =-.530827E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116054101427E+03 -0.12626E-03 -0.24024E-02 640 0.810E-01 0.374E-02
DAV: 2 -0.116054136609E+03 -0.35183E-04 -0.41621E-04 760 0.973E-02 0.233E-02
DAV: 3 -0.116054134450E+03 0.21592E-05 -0.11933E-05 592 0.243E-02
153 F= -.11605413E+03 E0= -.11603535E+03 d E =-.160806E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116054250069E+03 -0.11346E-03 -0.21403E-01 640 0.242E+00 0.112E-01
DAV: 2 -0.116054524244E+03 -0.27418E-03 -0.34961E-03 768 0.283E-01 0.686E-02
DAV: 3 -0.116054503840E+03 0.20404E-04 -0.10032E-04 856 0.593E-02 0.358E-02
DAV: 4 -0.116054505973E+03 -0.21330E-05 -0.74479E-05 752 0.505E-02
154 F= -.11605451E+03 E0= -.11603572E+03 d E =-.532329E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116053688918E+03 0.81492E-03 -0.86307E-01 640 0.485E+00 0.226E-01
DAV: 2 -0.116054835766E+03 -0.11468E-02 -0.14514E-02 728 0.577E-01 0.138E-01
DAV: 3 -0.116054747571E+03 0.88195E-04 -0.42111E-04 864 0.127E-01 0.741E-02
DAV: 4 -0.116054754340E+03 -0.67682E-05 -0.34522E-04 728 0.109E-01 0.218E-02
DAV: 5 -0.116054747000E+03 0.73398E-05 -0.55253E-05 872 0.492E-02
155 F= -.11605475E+03 E0= -.11603596E+03 d E =-.773356E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116054981084E+03 -0.22674E-03 -0.96934E-02 640 0.163E+00 0.741E-02
DAV: 2 -0.116055120931E+03 -0.13985E-03 -0.16867E-03 784 0.197E-01 0.453E-02
DAV: 3 -0.116055113630E+03 0.73018E-05 -0.43295E-05 664 0.391E-02
156 F= -.11605511E+03 E0= -.11603633E+03 d E =-.366630E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116055081294E+03 0.39637E-04 -0.19412E-01 640 0.231E+00 0.107E-01
DAV: 2 -0.116055331237E+03 -0.24994E-03 -0.31730E-03 792 0.272E-01 0.647E-02
DAV: 3 -0.116055319727E+03 0.11511E-04 -0.11457E-04 832 0.580E-02 0.318E-02
DAV: 4 -0.116055320699E+03 -0.97184E-06 -0.37705E-05 704 0.395E-02
157 F= -.11605532E+03 E0= -.11603653E+03 d E =-.573699E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116055604516E+03 -0.28479E-03 -0.68671E-02 640 0.139E+00 0.670E-02
DAV: 2 -0.116055700935E+03 -0.96419E-04 -0.12274E-03 760 0.171E-01 0.392E-02
DAV: 3 -0.116055693790E+03 0.71444E-05 -0.54055E-05 808 0.405E-02
158 F= -.11605569E+03 E0= -.11603691E+03 d E =-.373092E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116055703173E+03 -0.22385E-05 -0.14677E-01 640 0.203E+00 0.999E-02
DAV: 2 -0.116055899022E+03 -0.19585E-03 -0.25339E-03 768 0.246E-01 0.596E-02
DAV: 3 -0.116055879136E+03 0.19886E-04 -0.11941E-04 832 0.613E-02 0.291E-02
DAV: 4 -0.116055876897E+03 0.22386E-05 -0.27174E-05 608 0.366E-02
159 F= -.11605588E+03 E0= -.11603709E+03 d E =-.556198E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116056102657E+03 -0.22352E-03 -0.66252E-02 640 0.133E+00 0.655E-02
DAV: 2 -0.116056178059E+03 -0.75402E-04 -0.97299E-04 760 0.150E-01 0.399E-02
DAV: 3 -0.116056171180E+03 0.68792E-05 -0.34289E-05 752 0.364E-02
160 F= -.11605617E+03 E0= -.11603738E+03 d E =-.294283E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116056024808E+03 0.15325E-03 -0.39902E-01 640 0.327E+00 0.161E-01
DAV: 2 -0.116056468389E+03 -0.44358E-03 -0.58072E-03 760 0.365E-01 0.982E-02
DAV: 3 -0.116056422832E+03 0.45557E-04 -0.20901E-04 856 0.885E-02 0.504E-02
DAV: 4 -0.116056422998E+03 -0.16578E-06 -0.11602E-04 720 0.588E-02 0.125E-02
DAV: 5 -0.116056420694E+03 0.23038E-05 -0.20383E-05 616 0.320E-02
161 F= -.11605642E+03 E0= -.11603763E+03 d E =-.543798E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116056638756E+03 -0.21576E-03 -0.62625E-02 640 0.130E+00 0.626E-02
DAV: 2 -0.116056720204E+03 -0.81448E-04 -0.98678E-04 768 0.151E-01 0.380E-02
DAV: 3 -0.116056714252E+03 0.59517E-05 -0.28023E-05 648 0.343E-02
162 F= -.11605671E+03 E0= -.11603793E+03 d E =-.293558E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116056441132E+03 0.27907E-03 -0.54195E-01 640 0.382E+00 0.184E-01
DAV: 2 -0.116057106188E+03 -0.66506E-03 -0.83744E-03 728 0.441E-01 0.111E-01
DAV: 3 -0.116057045555E+03 0.60633E-04 -0.24230E-04 800 0.953E-02 0.581E-02
DAV: 4 -0.116057045594E+03 -0.38838E-07 -0.17090E-04 744 0.743E-02 0.132E-02
DAV: 5 -0.116057043429E+03 0.21642E-05 -0.28649E-05 760 0.354E-02
163 F= -.11605704E+03 E0= -.11603826E+03 d E =-.622735E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116057290995E+03 -0.24540E-03 -0.70811E-02 640 0.138E+00 0.663E-02
DAV: 2 -0.116057382764E+03 -0.91769E-04 -0.11537E-03 704 0.164E-01 0.393E-02
DAV: 3 -0.116057377346E+03 0.54179E-05 -0.38809E-05 744 0.371E-02
164 F= -.11605738E+03 E0= -.11603859E+03 d E =-.333917E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116057203127E+03 0.17964E-03 -0.63327E-01 640 0.413E+00 0.200E-01
DAV: 2 -0.116057976891E+03 -0.77376E-03 -0.10081E-02 728 0.485E-01 0.118E-01
DAV: 3 -0.116057920125E+03 0.56766E-04 -0.33835E-04 872 0.105E-01 0.609E-02
DAV: 4 -0.116057922477E+03 -0.23526E-05 -0.14851E-04 744 0.672E-02 0.128E-02
DAV: 5 -0.116057922278E+03 0.19933E-06 -0.26038E-05 728 0.308E-02
165 F= -.11605792E+03 E0= -.11603913E+03 d E =-.878849E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116057895738E+03 0.26739E-04 -0.50101E-02 640 0.116E+00 0.563E-02
DAV: 2 -0.116057961555E+03 -0.65817E-04 -0.81926E-04 760 0.138E-01 0.331E-02
DAV: 3 -0.116057958138E+03 0.34170E-05 -0.26217E-05 696 0.308E-02
166 F= -.11605796E+03 E0= -.11603917E+03 d E =-.914709E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116058282588E+03 -0.32103E-03 -0.10219E-01 640 0.167E+00 0.819E-02
DAV: 2 -0.116058410147E+03 -0.12756E-03 -0.17181E-03 728 0.199E-01 0.465E-02
DAV: 3 -0.116058402423E+03 0.77236E-05 -0.57790E-05 856 0.426E-02
167 F= -.11605840E+03 E0= -.11603961E+03 d E =-.444285E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116057971481E+03 0.43867E-03 -0.92285E-01 640 0.503E+00 0.245E-01
DAV: 2 -0.116059145695E+03 -0.11742E-02 -0.15761E-02 728 0.604E-01 0.140E-01
DAV: 3 -0.116059063322E+03 0.82373E-04 -0.49751E-04 872 0.126E-01 0.762E-02
DAV: 4 -0.116059056301E+03 0.70210E-05 -0.25156E-04 712 0.909E-02 0.151E-02
DAV: 5 -0.116059057200E+03 -0.89929E-06 -0.47021E-05 840 0.378E-02
168 F= -.11605906E+03 E0= -.11604027E+03 d E =-.109906E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116059345801E+03 -0.28950E-03 -0.16775E-01 640 0.217E+00 0.105E-01
DAV: 2 -0.116059588799E+03 -0.24300E-03 -0.31109E-03 752 0.271E-01 0.602E-02
DAV: 3 -0.116059570945E+03 0.17853E-04 -0.87048E-05 776 0.581E-02 0.344E-02
DAV: 4 -0.116059573741E+03 -0.27958E-05 -0.73603E-05 736 0.529E-02
169 F= -.11605957E+03 E0= -.11604078E+03 d E =-.516541E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116059647533E+03 -0.76587E-04 -0.19390E-02 656 0.737E-01 0.387E-02
DAV: 2 -0.116059677476E+03 -0.29943E-04 -0.38539E-04 784 0.949E-02 0.210E-02
DAV: 3 -0.116059676424E+03 0.10517E-05 -0.94700E-06 592 0.205E-02
170 F= -.11605968E+03 E0= -.11604089E+03 d E =-.619223E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116059674536E+03 0.29398E-05 -0.75382E-02 640 0.145E+00 0.710E-02
DAV: 2 -0.116059774616E+03 -0.10008E-03 -0.13307E-03 768 0.177E-01 0.402E-02
DAV: 3 -0.116059766940E+03 0.76761E-05 -0.38455E-05 760 0.382E-02
171 F= -.11605977E+03 E0= -.11604098E+03 d E =-.709739E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116060078143E+03 -0.30353E-03 -0.11104E-01 640 0.173E+00 0.879E-02
DAV: 2 -0.116060192344E+03 -0.11420E-03 -0.16222E-03 760 0.192E-01 0.518E-02
DAV: 3 -0.116060180771E+03 0.11573E-04 -0.53953E-05 776 0.442E-02 0.266E-02
DAV: 4 -0.116060182804E+03 -0.20331E-05 -0.38799E-05 672 0.357E-02
172 F= -.11606018E+03 E0= -.11604139E+03 d E =-.415864E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116060206113E+03 -0.25343E-04 -0.51774E-01 640 0.372E+00 0.187E-01
DAV: 2 -0.116060796191E+03 -0.59008E-03 -0.80243E-03 720 0.429E-01 0.112E-01
DAV: 3 -0.116060728700E+03 0.67491E-04 -0.26194E-04 856 0.100E-01 0.602E-02
DAV: 4 -0.116060732819E+03 -0.41182E-05 -0.21881E-04 752 0.844E-02 0.164E-02
DAV: 5 -0.116060728144E+03 0.46749E-05 -0.40423E-05 800 0.387E-02
173 F= -.11606073E+03 E0= -.11604194E+03 d E =-.961204E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116058345712E+03 0.23871E-02 -0.20660E+00 640 0.744E+00 0.372E-01
DAV: 2 -0.116060714610E+03 -0.23689E-02 -0.31993E-02 728 0.856E-01 0.224E-01
DAV: 3 -0.116060436336E+03 0.27827E-03 -0.10582E-03 856 0.202E-01 0.121E-01
DAV: 4 -0.116060446215E+03 -0.98788E-05 -0.88870E-04 776 0.170E-01 0.333E-02
DAV: 5 -0.116060425483E+03 0.20732E-04 -0.16780E-04 808 0.787E-02 0.170E-02
DAV: 6 -0.116060429470E+03 -0.39875E-05 -0.45290E-05 784 0.326E-02
174 F= -.11606043E+03 E0= -.11604164E+03 d E =-.662531E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116059912220E+03 0.51326E-03 -0.95269E-01 640 0.505E+00 0.248E-01
DAV: 2 -0.116060964879E+03 -0.10527E-02 -0.14263E-02 736 0.572E-01 0.150E-01
DAV: 3 -0.116060841682E+03 0.12320E-03 -0.45326E-04 808 0.134E-01 0.784E-02
DAV: 4 -0.116060849009E+03 -0.73272E-05 -0.36745E-04 720 0.109E-01 0.201E-02
DAV: 5 -0.116060842237E+03 0.67725E-05 -0.67282E-05 800 0.496E-02
175 F= -.11606084E+03 E0= -.11604205E+03 d E =-.107530E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116061174242E+03 -0.32523E-03 -0.10576E-01 640 0.168E+00 0.829E-02
DAV: 2 -0.116061285694E+03 -0.11145E-03 -0.16350E-03 736 0.196E-01 0.502E-02
DAV: 3 -0.116061271911E+03 0.13783E-04 -0.65598E-05 864 0.451E-02 0.259E-02
DAV: 4 -0.116061270938E+03 0.97328E-06 -0.32121E-05 688 0.317E-02
176 F= -.11606127E+03 E0= -.11604248E+03 d E =-.428701E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116061355299E+03 -0.83388E-04 -0.35736E-01 640 0.308E+00 0.153E-01
DAV: 2 -0.116061761789E+03 -0.40649E-03 -0.57075E-03 760 0.366E-01 0.925E-02
DAV: 3 -0.116061717707E+03 0.44082E-04 -0.20870E-04 848 0.829E-02 0.491E-02
DAV: 4 -0.116061714722E+03 0.29843E-05 -0.11832E-04 728 0.605E-02 0.128E-02
DAV: 5 -0.116061711499E+03 0.32237E-05 -0.21165E-05 640 0.307E-02
177 F= -.11606171E+03 E0= -.11604292E+03 d E =-.869262E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116059863269E+03 0.18515E-02 -0.14267E+00 640 0.616E+00 0.304E-01
DAV: 2 -0.116061495794E+03 -0.16325E-02 -0.22689E-02 760 0.729E-01 0.185E-01
DAV: 3 -0.116061316753E+03 0.17904E-03 -0.84676E-04 864 0.166E-01 0.976E-02
DAV: 4 -0.116061303060E+03 0.13693E-04 -0.46610E-04 752 0.120E-01 0.252E-02
DAV: 5 -0.116061292850E+03 0.10209E-04 -0.95179E-05 872 0.607E-02 0.117E-02
DAV: 6 -0.116061294560E+03 -0.17093E-05 -0.24212E-05 768 0.234E-02
178 F= -.11606129E+03 E0= -.11604250E+03 d E =-.452323E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116060963419E+03 0.32943E-03 -0.80625E-01 640 0.463E+00 0.227E-01
DAV: 2 -0.116061866408E+03 -0.90299E-03 -0.12537E-02 768 0.542E-01 0.138E-01
DAV: 3 -0.116061773634E+03 0.92774E-04 -0.45500E-04 840 0.122E-01 0.715E-02
DAV: 4 -0.116061777810E+03 -0.41759E-05 -0.24563E-04 720 0.864E-02 0.175E-02
DAV: 5 -0.116061774904E+03 0.29057E-05 -0.46053E-05 792 0.419E-02
179 F= -.11606177E+03 E0= -.11604298E+03 d E =-.932668E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116062124817E+03 -0.34701E-03 -0.22669E-01 640 0.246E+00 0.118E-01
DAV: 2 -0.116062392399E+03 -0.26758E-03 -0.36507E-03 752 0.293E-01 0.711E-02
DAV: 3 -0.116062368797E+03 0.23602E-04 -0.12002E-04 776 0.623E-02 0.374E-02
DAV: 4 -0.116062366859E+03 0.19381E-05 -0.75153E-05 744 0.497E-02
180 F= -.11606237E+03 E0= -.11604358E+03 d E =-.591954E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116062530925E+03 -0.16213E-03 -0.74056E-02 640 0.141E+00 0.695E-02
DAV: 2 -0.116062624240E+03 -0.93316E-04 -0.12596E-03 760 0.172E-01 0.407E-02
DAV: 3 -0.116062617647E+03 0.65934E-05 -0.37243E-05 784 0.361E-02
181 F= -.11606262E+03 E0= -.11604383E+03 d E =-.842742E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116062615014E+03 0.92259E-05 -0.29173E-01 640 0.280E+00 0.136E-01
DAV: 2 -0.116062953683E+03 -0.33867E-03 -0.46336E-03 760 0.330E-01 0.805E-02
DAV: 3 -0.116062929028E+03 0.24655E-04 -0.15771E-04 856 0.705E-02 0.421E-02
DAV: 4 -0.116062926878E+03 0.21500E-05 -0.87469E-05 760 0.544E-02
182 F= -.11606293E+03 E0= -.11604414E+03 d E =-.115197E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116063398894E+03 -0.46987E-03 -0.15873E-01 640 0.208E+00 0.102E-01
DAV: 2 -0.116063606741E+03 -0.20785E-03 -0.28638E-03 760 0.258E-01 0.600E-02
DAV: 3 -0.116063588733E+03 0.18009E-04 -0.89224E-05 864 0.569E-02 0.334E-02
DAV: 4 -0.116063590160E+03 -0.14272E-05 -0.67191E-05 736 0.491E-02
183 F= -.11606359E+03 E0= -.11604480E+03 d E =-.663282E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116063744999E+03 -0.15627E-03 -0.33954E-02 640 0.960E-01 0.486E-02
DAV: 2 -0.116063791728E+03 -0.46729E-04 -0.63950E-04 768 0.122E-01 0.281E-02
DAV: 3 -0.116063788285E+03 0.34424E-05 -0.17239E-05 640 0.266E-02
184 F= -.11606379E+03 E0= -.11604500E+03 d E =-.861407E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116063828700E+03 -0.36972E-04 -0.13303E-01 640 0.190E+00 0.932E-02
DAV: 2 -0.116063993988E+03 -0.16529E-03 -0.22948E-03 760 0.230E-01 0.548E-02
DAV: 3 -0.116063980057E+03 0.13930E-04 -0.73638E-05 880 0.508E-02 0.297E-02
DAV: 4 -0.116063980936E+03 -0.87868E-06 -0.47347E-05 744 0.415E-02
185 F= -.11606398E+03 E0= -.11604519E+03 d E =-.105406E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116064187236E+03 -0.20718E-03 -0.24842E-01 640 0.261E+00 0.128E-01
DAV: 2 -0.116064513591E+03 -0.32636E-03 -0.43662E-03 760 0.318E-01 0.750E-02
DAV: 3 -0.116064483743E+03 0.29849E-04 -0.11592E-04 808 0.650E-02 0.424E-02
DAV: 4 -0.116064482105E+03 0.16375E-05 -0.10607E-04 728 0.575E-02 0.113E-02
DAV: 5 -0.116064480107E+03 0.19985E-05 -0.18746E-05 648 0.269E-02
186 F= -.11606448E+03 E0= -.11604569E+03 d E =-.499170E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116064506121E+03 -0.24016E-04 -0.20454E-02 656 0.750E-01 0.366E-02
DAV: 2 -0.116064534669E+03 -0.28547E-04 -0.36531E-04 784 0.919E-02 0.215E-02
DAV: 3 -0.116064532087E+03 0.25812E-05 -0.85074E-06 592 0.189E-02
187 F= -.11606453E+03 E0= -.11604574E+03 d E =-.551151E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116064421575E+03 0.11309E-03 -0.80631E-02 640 0.149E+00 0.733E-02
DAV: 2 -0.116064520467E+03 -0.98892E-04 -0.13682E-03 792 0.178E-01 0.421E-02
DAV: 3 -0.116064510717E+03 0.97508E-05 -0.32659E-05 728 0.348E-02
188 F= -.11606451E+03 E0= -.11604572E+03 d E =-.529781E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116064506050E+03 0.14417E-04 -0.29170E-02 640 0.894E-01 0.425E-02
DAV: 2 -0.116064550384E+03 -0.44334E-04 -0.53444E-04 752 0.112E-01 0.266E-02
DAV: 3 -0.116064546123E+03 0.42610E-05 -0.14257E-05 592 0.246E-02
189 F= -.11606455E+03 E0= -.11604575E+03 d E =-.565187E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116064690806E+03 -0.14042E-03 -0.25431E-01 640 0.265E+00 0.121E-01
DAV: 2 -0.116065037515E+03 -0.34671E-03 -0.43265E-03 752 0.317E-01 0.742E-02
DAV: 3 -0.116065011646E+03 0.25869E-04 -0.13969E-04 848 0.691E-02 0.396E-02
DAV: 4 -0.116065008946E+03 0.27001E-05 -0.61317E-05 744 0.465E-02
190 F= -.11606501E+03 E0= -.11604622E+03 d E =-.462823E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116065025834E+03 -0.14188E-04 -0.60639E-02 640 0.129E+00 0.617E-02
DAV: 2 -0.116065107582E+03 -0.81748E-04 -0.10427E-03 768 0.155E-01 0.365E-02
DAV: 3 -0.116065102455E+03 0.51273E-05 -0.34508E-05 728 0.352E-02
191 F= -.11606510E+03 E0= -.11604631E+03 d E =-.556331E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116065437919E+03 -0.33034E-03 -0.97047E-02 640 0.164E+00 0.785E-02
DAV: 2 -0.116065552391E+03 -0.11447E-03 -0.16090E-03 864 0.194E-01 0.503E-02
DAV: 3 -0.116065536907E+03 0.15484E-04 -0.71716E-05 760 0.492E-02 0.247E-02
DAV: 4 -0.116065537360E+03 -0.45301E-06 -0.24496E-05 568 0.278E-02
192 F= -.11606554E+03 E0= -.11604675E+03 d E =-.434905E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116065567338E+03 -0.30431E-04 -0.20303E-02 640 0.749E-01 0.357E-02
DAV: 2 -0.116065594594E+03 -0.27256E-04 -0.36721E-04 880 0.932E-02 0.230E-02
DAV: 3 -0.116065591174E+03 0.34200E-05 -0.13433E-05 656 0.230E-02
193 F= -.11606559E+03 E0= -.11604680E+03 d E =-.488719E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116065832414E+03 -0.23782E-03 -0.87945E-02 640 0.158E+00 0.754E-02
DAV: 2 -0.116065951199E+03 -0.11878E-03 -0.16106E-03 800 0.194E-01 0.449E-02
DAV: 3 -0.116065941880E+03 0.93183E-05 -0.49230E-05 808 0.424E-02
194 F= -.11606594E+03 E0= -.11604715E+03 d E =-.350706E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116065962379E+03 -0.11181E-04 -0.81302E-02 640 0.152E+00 0.740E-02
DAV: 2 -0.116066064707E+03 -0.10233E-03 -0.14415E-03 800 0.183E-01 0.433E-02
DAV: 3 -0.116066057385E+03 0.73220E-05 -0.45879E-05 800 0.405E-02
195 F= -.11606606E+03 E0= -.11604726E+03 d E =-.466211E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116066333700E+03 -0.26899E-03 -0.11084E-01 640 0.177E+00 0.815E-02
DAV: 2 -0.116066487605E+03 -0.15390E-03 -0.19742E-03 776 0.214E-01 0.482E-02
DAV: 3 -0.116066477778E+03 0.98270E-05 -0.66368E-05 888 0.479E-02
196 F= -.11606648E+03 E0= -.11604769E+03 d E =-.420393E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116066372174E+03 0.11543E-03 -0.28932E-01 640 0.286E+00 0.131E-01
DAV: 2 -0.116066780826E+03 -0.40865E-03 -0.51743E-03 768 0.346E-01 0.777E-02
DAV: 3 -0.116066753869E+03 0.26957E-04 -0.15266E-04 880 0.733E-02 0.421E-02
DAV: 4 -0.116066752226E+03 0.16425E-05 -0.87388E-05 760 0.584E-02
197 F= -.11606675E+03 E0= -.11604796E+03 d E =-.694841E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116067009885E+03 -0.25602E-03 -0.10746E-01 640 0.172E+00 0.788E-02
DAV: 2 -0.116067160485E+03 -0.15060E-03 -0.19011E-03 784 0.210E-01 0.460E-02
DAV: 3 -0.116067153137E+03 0.73473E-05 -0.49843E-05 784 0.419E-02
198 F= -.11606715E+03 E0= -.11604836E+03 d E =-.400911E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116066967046E+03 0.19344E-03 -0.29765E-01 640 0.287E+00 0.129E-01
DAV: 2 -0.116067365876E+03 -0.39883E-03 -0.50504E-03 792 0.341E-01 0.763E-02
DAV: 3 -0.116067343238E+03 0.22638E-04 -0.13410E-04 840 0.679E-02 0.392E-02
DAV: 4 -0.116067345720E+03 -0.24816E-05 -0.69560E-05 736 0.485E-02
199 F= -.11606735E+03 E0= -.11604855E+03 d E =-.593494E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116067314987E+03 0.28252E-04 -0.30493E-02 664 0.920E-01 0.389E-02
DAV: 2 -0.116067357063E+03 -0.42076E-04 -0.51371E-04 784 0.110E-01 0.245E-02
DAV: 3 -0.116067354519E+03 0.25432E-05 -0.13128E-05 592 0.222E-02
200 F= -.11606735E+03 E0= -.11604856E+03 d E =-.602293E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116067633154E+03 -0.27609E-03 -0.13039E-01 640 0.192E+00 0.911E-02
DAV: 2 -0.116067845691E+03 -0.21254E-03 -0.25179E-03 760 0.242E-01 0.502E-02
DAV: 3 -0.116067830466E+03 0.15225E-04 -0.63863E-05 840 0.485E-02 0.285E-02
DAV: 4 -0.116067830016E+03 0.45002E-06 -0.50748E-05 736 0.399E-02
201 F= -.11606783E+03 E0= -.11604904E+03 d E =-.475496E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116067875595E+03 -0.45129E-04 -0.95765E-02 640 0.164E+00 0.815E-02
DAV: 2 -0.116068032147E+03 -0.15655E-03 -0.18702E-03 768 0.209E-01 0.442E-02
DAV: 3 -0.116068021189E+03 0.10958E-04 -0.50054E-05 800 0.441E-02 0.249E-02
DAV: 4 -0.116068021664E+03 -0.47495E-06 -0.40024E-05 760 0.352E-02
202 F= -.11606802E+03 E0= -.11604923E+03 d E =-.667144E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116068278918E+03 -0.25773E-03 -0.65270E-02 656 0.136E+00 0.597E-02
DAV: 2 -0.116068377548E+03 -0.98630E-04 -0.11627E-03 768 0.165E-01 0.354E-02
DAV: 3 -0.116068372102E+03 0.54460E-05 -0.31687E-05 712 0.325E-02
203 F= -.11606837E+03 E0= -.11604958E+03 d E =-.350438E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116068331619E+03 0.45929E-04 -0.15880E-01 640 0.213E+00 0.920E-02
DAV: 2 -0.116068566726E+03 -0.23511E-03 -0.27539E-03 760 0.254E-01 0.547E-02
DAV: 3 -0.116068553758E+03 0.12968E-04 -0.77417E-05 832 0.492E-02 0.288E-02
DAV: 4 -0.116068552234E+03 0.15237E-05 -0.31038E-05 688 0.337E-02
204 F= -.11606855E+03 E0= -.11604976E+03 d E =-.530570E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116068672787E+03 -0.11903E-03 -0.25828E-02 672 0.853E-01 0.379E-02
DAV: 2 -0.116068711677E+03 -0.38890E-04 -0.45094E-04 760 0.101E-01 0.219E-02
DAV: 3 -0.116068710321E+03 0.13564E-05 -0.97078E-06 576 0.187E-02
205 F= -.11606871E+03 E0= -.11604992E+03 d E =-.158087E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116068643272E+03 0.68405E-04 -0.22942E-01 640 0.254E+00 0.109E-01
DAV: 2 -0.116068978780E+03 -0.33551E-03 -0.38911E-03 736 0.297E-01 0.648E-02
DAV: 3 -0.116068962885E+03 0.15894E-04 -0.93929E-05 864 0.551E-02 0.347E-02
DAV: 4 -0.116068962319E+03 0.56621E-06 -0.54991E-05 760 0.427E-02
206 F= -.11606896E+03 E0= -.11605017E+03 d E =-.410085E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116069161897E+03 -0.19901E-03 -0.83740E-03 672 0.496E-01 0.275E-02
DAV: 2 -0.116069179226E+03 -0.17329E-04 -0.22594E-04 856 0.753E-02 0.182E-02
DAV: 3 -0.116069176566E+03 0.26602E-05 -0.82943E-06 568 0.196E-02
207 F= -.11606918E+03 E0= -.11605038E+03 d E =-.214247E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116069257430E+03 -0.78204E-04 -0.34828E-02 656 0.101E+00 0.537E-02
DAV: 2 -0.116069319487E+03 -0.62057E-04 -0.83793E-04 864 0.146E-01 0.352E-02
DAV: 3 -0.116069309124E+03 0.10363E-04 -0.31420E-05 784 0.354E-02 0.209E-02
DAV: 4 -0.116069308827E+03 0.29677E-06 -0.43070E-05 728 0.363E-02
208 F= -.11606931E+03 E0= -.11605052E+03 d E =-.346508E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116069313621E+03 -0.44972E-05 -0.17959E-03 720 0.229E-01 0.111E-02
DAV: 2 -0.116069315654E+03 -0.20326E-05 -0.31847E-05 712 0.293E-02
209 F= -.11606932E+03 E0= -.11605052E+03 d E =-.353334E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116069436785E+03 -0.12316E-03 -0.73629E-03 672 0.466E-01 0.211E-02
DAV: 2 -0.116069449023E+03 -0.12238E-04 -0.15652E-04 824 0.618E-02 0.120E-02
DAV: 3 -0.116069447725E+03 0.12975E-05 -0.50052E-06 552 0.141E-02
210 F= -.11606945E+03 E0= -.11605066E+03 d E =-.132072E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116069516964E+03 -0.67941E-04 -0.36080E-02 656 0.103E+00 0.491E-02
DAV: 2 -0.116069569654E+03 -0.52690E-04 -0.71746E-04 840 0.132E-01 0.286E-02
DAV: 3 -0.116069563322E+03 0.63317E-05 -0.27746E-05 768 0.314E-02
211 F= -.11606956E+03 E0= -.11605077E+03 d E =-.247669E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116069672503E+03 -0.10285E-03 -0.11527E-02 688 0.586E-01 0.271E-02
DAV: 2 -0.116069690625E+03 -0.18122E-04 -0.24000E-04 848 0.758E-02 0.171E-02
DAV: 3 -0.116069688840E+03 0.17854E-05 -0.83187E-06 568 0.180E-02
212 F= -.11606969E+03 E0= -.11605090E+03 d E =-.125517E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116069712281E+03 -0.21656E-04 -0.13036E-02 656 0.622E-01 0.276E-02
DAV: 2 -0.116069733612E+03 -0.21331E-04 -0.26892E-04 856 0.796E-02 0.172E-02
DAV: 3 -0.116069731782E+03 0.18293E-05 -0.66068E-06 560 0.162E-02
213 F= -.11606973E+03 E0= -.11605094E+03 d E =-.168460E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116069829152E+03 -0.95540E-04 -0.11195E-02 656 0.577E-01 0.275E-02
DAV: 2 -0.116069850001E+03 -0.20850E-04 -0.25468E-04 832 0.781E-02 0.162E-02
DAV: 3 -0.116069847677E+03 0.23242E-05 -0.87970E-06 576 0.198E-02
214 F= -.11606985E+03 E0= -.11605106E+03 d E =-.115895E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116069863899E+03 -0.13897E-04 -0.32394E-02 656 0.981E-01 0.467E-02
DAV: 2 -0.116069924508E+03 -0.60609E-04 -0.73641E-04 832 0.133E-01 0.272E-02
DAV: 3 -0.116069918100E+03 0.64078E-05 -0.20266E-05 648 0.293E-02
215 F= -.11606992E+03 E0= -.11605113E+03 d E =-.186317E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116070001177E+03 -0.76669E-04 -0.19884E-02 656 0.760E-01 0.340E-02
DAV: 2 -0.116070034363E+03 -0.33186E-04 -0.40718E-04 848 0.987E-02 0.203E-02
DAV: 3 -0.116070031774E+03 0.25884E-05 -0.88221E-06 576 0.180E-02
216 F= -.11607003E+03 E0= -.11605124E+03 d E =-.113675E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116070038973E+03 -0.46098E-05 -0.75926E-03 672 0.469E-01 0.208E-02
DAV: 2 -0.116070051176E+03 -0.12204E-04 -0.14573E-04 880 0.586E-02 0.123E-02
DAV: 3 -0.116070050292E+03 0.88398E-06 -0.27813E-06 568 0.104E-02
217 F= -.11607005E+03 E0= -.11605126E+03 d E =-.132193E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116070134231E+03 -0.83055E-04 -0.66909E-03 672 0.438E-01 0.189E-02
DAV: 2 -0.116070144592E+03 -0.10361E-04 -0.12315E-04 768 0.526E-02 0.112E-02
DAV: 3 -0.116070144121E+03 0.47124E-06 -0.32784E-06 496 0.118E-02
218 F= -.11607014E+03 E0= -.11605135E+03 d E =-.938284E-04
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116070253091E+03 -0.10850E-03 -0.60734E-02 640 0.132E+00 0.560E-02
DAV: 2 -0.116070349270E+03 -0.96179E-04 -0.11491E-03 760 0.161E-01 0.334E-02
DAV: 3 -0.116070343807E+03 0.54625E-05 -0.31447E-05 760 0.332E-02
219 F= -.11607034E+03 E0= -.11605155E+03 d E =-.293515E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116070014415E+03 0.33486E-03 -0.24225E-01 640 0.264E+00 0.113E-01
DAV: 2 -0.116070393842E+03 -0.37943E-03 -0.45405E-03 760 0.320E-01 0.670E-02
DAV: 3 -0.116070372074E+03 0.21768E-04 -0.13342E-04 872 0.668E-02 0.370E-02
DAV: 4 -0.116070370405E+03 0.16693E-05 -0.59984E-05 744 0.464E-02
220 F= -.11607037E+03 E0= -.11605158E+03 d E =-.320113E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116070313245E+03 0.58830E-04 -0.71753E-02 640 0.144E+00 0.578E-02
DAV: 2 -0.116070427213E+03 -0.11397E-03 -0.13595E-03 768 0.176E-01 0.362E-02
DAV: 3 -0.116070419866E+03 0.73469E-05 -0.41729E-05 784 0.364E-02
221 F= -.11607042E+03 E0= -.11605163E+03 d E =-.369574E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116070530695E+03 -0.10348E-03 -0.30918E-02 656 0.944E-01 0.382E-02
DAV: 2 -0.116070593160E+03 -0.62465E-04 -0.70544E-04 840 0.126E-01 0.231E-02
DAV: 3 -0.116070589193E+03 0.39676E-05 -0.10695E-05 608 0.220E-02
222 F= -.11607059E+03 E0= -.11605180E+03 d E =-.169327E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116070595087E+03 -0.19272E-05 -0.38065E-02 672 0.105E+00 0.465E-02
DAV: 2 -0.116070659747E+03 -0.64659E-04 -0.77666E-04 848 0.133E-01 0.263E-02
DAV: 3 -0.116070655892E+03 0.38550E-05 -0.12100E-05 624 0.221E-02
223 F= -.11607066E+03 E0= -.11605186E+03 d E =-.236026E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116070782689E+03 -0.12294E-03 -0.40459E-02 640 0.107E+00 0.469E-02
DAV: 2 -0.116070843261E+03 -0.60571E-04 -0.73888E-04 760 0.130E-01 0.268E-02
DAV: 3 -0.116070840520E+03 0.27406E-05 -0.19707E-05 648 0.249E-02
224 F= -.11607084E+03 E0= -.11605205E+03 d E =-.184628E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116070806633E+03 0.36627E-04 -0.10711E-01 640 0.175E+00 0.760E-02
DAV: 2 -0.116070969870E+03 -0.16324E-03 -0.19751E-03 752 0.213E-01 0.441E-02
DAV: 3 -0.116070961539E+03 0.83309E-05 -0.52984E-05 824 0.389E-02
225 F= -.11607096E+03 E0= -.11605217E+03 d E =-.305648E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116071090243E+03 -0.12037E-03 -0.25677E-02 672 0.858E-01 0.404E-02
DAV: 2 -0.116071129597E+03 -0.39354E-04 -0.46762E-04 800 0.103E-01 0.232E-02
DAV: 3 -0.116071127723E+03 0.18739E-05 -0.12298E-05 552 0.215E-02
226 F= -.11607113E+03 E0= -.11605234E+03 d E =-.166184E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116070974659E+03 0.15494E-03 -0.23522E-01 640 0.260E+00 0.116E-01
DAV: 2 -0.116071367632E+03 -0.39297E-03 -0.45348E-03 792 0.320E-01 0.669E-02
DAV: 3 -0.116071349336E+03 0.18295E-04 -0.93216E-05 840 0.545E-02 0.370E-02
DAV: 4 -0.116071346252E+03 0.30845E-05 -0.57337E-05 728 0.452E-02
227 F= -.11607135E+03 E0= -.11605256E+03 d E =-.384712E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116071489605E+03 -0.14027E-03 -0.34997E-02 664 0.991E-01 0.470E-02
DAV: 2 -0.116071543452E+03 -0.53847E-04 -0.65127E-04 768 0.123E-01 0.265E-02
DAV: 3 -0.116071541434E+03 0.20181E-05 -0.13152E-05 632 0.223E-02
228 F= -.11607154E+03 E0= -.11605275E+03 d E =-.195182E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116071381283E+03 0.16217E-03 -0.31015E-01 640 0.295E+00 0.134E-01
DAV: 2 -0.116071838353E+03 -0.45707E-03 -0.55535E-03 784 0.358E-01 0.783E-02
DAV: 3 -0.116071814601E+03 0.23752E-04 -0.11801E-04 832 0.647E-02 0.433E-02
DAV: 4 -0.116071814604E+03 -0.26321E-08 -0.10037E-04 712 0.570E-02 0.102E-02
DAV: 5 -0.116071813724E+03 0.87986E-06 -0.15558E-05 640 0.238E-02
229 F= -.11607181E+03 E0= -.11605302E+03 d E =-.467472E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116072001045E+03 -0.18644E-03 -0.81264E-02 640 0.151E+00 0.707E-02
DAV: 2 -0.116072125521E+03 -0.12448E-03 -0.14702E-03 760 0.186E-01 0.402E-02
DAV: 3 -0.116072118233E+03 0.72875E-05 -0.39597E-05 776 0.391E-02
230 F= -.11607212E+03 E0= -.11605333E+03 d E =-.304509E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116072042230E+03 0.83291E-04 -0.18461E-01 640 0.227E+00 0.109E-01
DAV: 2 -0.116072308083E+03 -0.26585E-03 -0.31922E-03 760 0.274E-01 0.612E-02
DAV: 3 -0.116072292870E+03 0.15212E-04 -0.86461E-05 864 0.560E-02 0.321E-02
DAV: 4 -0.116072295117E+03 -0.22467E-05 -0.47405E-05 760 0.397E-02
231 F= -.11607230E+03 E0= -.11605351E+03 d E =-.481393E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116072427174E+03 -0.13430E-03 -0.92691E-02 640 0.160E+00 0.785E-02
DAV: 2 -0.116072565553E+03 -0.13838E-03 -0.16198E-03 760 0.191E-01 0.444E-02
DAV: 3 -0.116072560040E+03 0.55138E-05 -0.38651E-05 664 0.369E-02
232 F= -.11607256E+03 E0= -.11605377E+03 d E =-.264923E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116072383671E+03 0.18188E-03 -0.20175E-01 640 0.236E+00 0.113E-01
DAV: 2 -0.116072671621E+03 -0.28795E-03 -0.33771E-03 768 0.275E-01 0.642E-02
DAV: 3 -0.116072660127E+03 0.11494E-04 -0.82392E-05 856 0.507E-02 0.330E-02
DAV: 4 -0.116072660828E+03 -0.70108E-06 -0.40899E-05 760 0.371E-02
233 F= -.11607266E+03 E0= -.11605387E+03 d E =-.365711E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116072633483E+03 0.26644E-04 -0.24636E-02 640 0.826E-01 0.376E-02
DAV: 2 -0.116072669079E+03 -0.35595E-04 -0.41028E-04 768 0.967E-02 0.226E-02
DAV: 3 -0.116072667432E+03 0.16461E-05 -0.10126E-05 624 0.187E-02
234 F= -.11607267E+03 E0= -.11605388E+03 d E =-.372315E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116072854409E+03 -0.18533E-03 -0.61710E-02 640 0.131E+00 0.607E-02
DAV: 2 -0.116072945744E+03 -0.91334E-04 -0.11147E-03 768 0.161E-01 0.372E-02
DAV: 3 -0.116072937904E+03 0.78392E-05 -0.38077E-05 808 0.353E-02
235 F= -.11607294E+03 E0= -.11605415E+03 d E =-.270472E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116072963795E+03 -0.18052E-04 -0.52304E-02 640 0.120E+00 0.584E-02
DAV: 2 -0.116073034342E+03 -0.70546E-04 -0.89459E-04 792 0.145E-01 0.349E-02
DAV: 3 -0.116073027931E+03 0.64109E-05 -0.29186E-05 696 0.327E-02
236 F= -.11607303E+03 E0= -.11605424E+03 d E =-.360498E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116073153936E+03 -0.11959E-03 -0.70398E-02 640 0.141E+00 0.690E-02
DAV: 2 -0.116073251935E+03 -0.97999E-04 -0.11783E-03 792 0.166E-01 0.384E-02
DAV: 3 -0.116073245340E+03 0.65952E-05 -0.36570E-05 792 0.369E-02
237 F= -.11607325E+03 E0= -.11605446E+03 d E =-.217409E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116073255950E+03 -0.40151E-05 -0.24538E-02 656 0.830E-01 0.426E-02
DAV: 2 -0.116073288293E+03 -0.32343E-04 -0.39549E-04 792 0.958E-02 0.234E-02
DAV: 3 -0.116073286580E+03 0.17128E-05 -0.10696E-05 632 0.206E-02
238 F= -.11607329E+03 E0= -.11605450E+03 d E =-.258649E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116073379024E+03 -0.90731E-04 -0.60063E-02 640 0.129E+00 0.694E-02
DAV: 2 -0.116073470393E+03 -0.91369E-04 -0.11417E-03 792 0.163E-01 0.398E-02
DAV: 3 -0.116073461330E+03 0.90629E-05 -0.33250E-05 696 0.372E-02
239 F= -.11607346E+03 E0= -.11605467E+03 d E =-.174750E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116073462660E+03 0.77330E-05 -0.19102E-03 736 0.231E-01 0.152E-02
DAV: 2 -0.116073463116E+03 -0.45694E-06 -0.30125E-05 728 0.311E-02
240 F= -.11607346E+03 E0= -.11605467E+03 d E =-.176537E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116073586635E+03 -0.12398E-03 -0.58062E-02 640 0.126E+00 0.643E-02
DAV: 2 -0.116073663996E+03 -0.77361E-04 -0.96104E-04 760 0.148E-01 0.380E-02
DAV: 3 -0.116073659342E+03 0.46546E-05 -0.31515E-05 688 0.315E-02
241 F= -.11607366E+03 E0= -.11605487E+03 d E =-.196225E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116073650987E+03 0.13009E-04 -0.77088E-02 640 0.145E+00 0.734E-02
DAV: 2 -0.116073750541E+03 -0.99554E-04 -0.12324E-03 760 0.167E-01 0.422E-02
DAV: 3 -0.116073746047E+03 0.44945E-05 -0.45710E-05 760 0.366E-02
242 F= -.11607375E+03 E0= -.11605496E+03 d E =-.282930E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116073881503E+03 -0.13096E-03 -0.31864E-02 640 0.926E-01 0.472E-02
DAV: 2 -0.116073919025E+03 -0.37521E-04 -0.47751E-04 744 0.107E-01 0.278E-02
DAV: 3 -0.116073916981E+03 0.20437E-05 -0.17415E-05 624 0.247E-02
243 F= -.11607392E+03 E0= -.11605513E+03 d E =-.170934E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116073909444E+03 0.95809E-05 -0.86895E-02 640 0.153E+00 0.748E-02
DAV: 2 -0.116074018559E+03 -0.10912E-03 -0.13435E-03 744 0.178E-01 0.443E-02
DAV: 3 -0.116074012379E+03 0.61803E-05 -0.41373E-05 752 0.361E-02
244 F= -.11607401E+03 E0= -.11605522E+03 d E =-.266332E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116074157401E+03 -0.13884E-03 -0.38947E-02 640 0.101E+00 0.527E-02
DAV: 2 -0.116074196374E+03 -0.38973E-04 -0.52836E-04 768 0.109E-01 0.320E-02
DAV: 3 -0.116074193818E+03 0.25557E-05 -0.19504E-05 616 0.275E-02
245 F= -.11607419E+03 E0= -.11605541E+03 d E =-.181439E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116074074501E+03 0.12187E-03 -0.35460E-01 640 0.304E+00 0.155E-01
DAV: 2 -0.116074459092E+03 -0.38459E-03 -0.50245E-03 752 0.339E-01 0.946E-02
DAV: 3 -0.116074427559E+03 0.31533E-04 -0.18132E-04 808 0.802E-02 0.431E-02
DAV: 4 -0.116074431489E+03 -0.39305E-05 -0.83521E-05 744 0.494E-02
246 F= -.11607443E+03 E0= -.11605564E+03 d E =-.419111E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116074607195E+03 -0.17964E-03 -0.46615E-02 640 0.108E+00 0.587E-02
DAV: 2 -0.116074656251E+03 -0.49056E-04 -0.62985E-04 784 0.118E-01 0.368E-02
DAV: 3 -0.116074652464E+03 0.37872E-05 -0.24418E-05 608 0.319E-02
247 F= -.11607465E+03 E0= -.11605586E+03 d E =-.220974E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116074641077E+03 0.15174E-04 -0.11236E-01 640 0.167E+00 0.892E-02
DAV: 2 -0.116074753991E+03 -0.11291E-03 -0.14408E-03 784 0.179E-01 0.559E-02
DAV: 3 -0.116074743838E+03 0.10152E-04 -0.54643E-05 752 0.443E-02 0.203E-02
DAV: 4 -0.116074744139E+03 -0.30037E-06 -0.13487E-05 576 0.214E-02
248 F= -.11607474E+03 E0= -.11605596E+03 d E =-.312649E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116074895005E+03 -0.15117E-03 -0.37881E-02 640 0.962E-01 0.512E-02
DAV: 2 -0.116074930400E+03 -0.35394E-04 -0.44980E-04 752 0.100E-01 0.316E-02
DAV: 3 -0.116074928523E+03 0.18768E-05 -0.17552E-05 600 0.257E-02
249 F= -.11607493E+03 E0= -.11605614E+03 d E =-.184384E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116075007886E+03 -0.77487E-04 -0.33908E-01 640 0.288E+00 0.152E-01
DAV: 2 -0.116075311498E+03 -0.30361E-03 -0.39185E-03 720 0.295E-01 0.941E-02
DAV: 3 -0.116075285384E+03 0.26114E-04 -0.16629E-04 824 0.720E-02 0.320E-02
DAV: 4 -0.116075287828E+03 -0.24444E-05 -0.35918E-05 760 0.308E-02
250 F= -.11607529E+03 E0= -.11605650E+03 d E =-.543690E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116075300683E+03 -0.15299E-04 -0.66330E-02 640 0.127E+00 0.682E-02
DAV: 2 -0.116075363576E+03 -0.62893E-04 -0.79627E-04 736 0.133E-01 0.421E-02
DAV: 3 -0.116075359617E+03 0.39595E-05 -0.31899E-05 672 0.341E-02
251 F= -.11607536E+03 E0= -.11605657E+03 d E =-.615478E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116075619217E+03 -0.25564E-03 -0.53175E-02 640 0.119E+00 0.584E-02
DAV: 2 -0.116075692884E+03 -0.73667E-04 -0.88830E-04 856 0.148E-01 0.382E-02
DAV: 3 -0.116075685968E+03 0.69163E-05 -0.36117E-05 680 0.388E-02
252 F= -.11607569E+03 E0= -.11605690E+03 d E =-.326351E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116075712864E+03 -0.19979E-04 -0.11541E-02 704 0.555E-01 0.294E-02
DAV: 2 -0.116075728516E+03 -0.15653E-04 -0.18535E-04 872 0.672E-02 0.191E-02
DAV: 3 -0.116075727620E+03 0.89622E-06 -0.60524E-06 560 0.174E-02
253 F= -.11607573E+03 E0= -.11605694E+03 d E =-.368003E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116075862311E+03 -0.13379E-03 -0.15264E-02 640 0.650E-01 0.350E-02
DAV: 2 -0.116075883949E+03 -0.21639E-04 -0.26574E-04 840 0.790E-02 0.214E-02
DAV: 3 -0.116075881446E+03 0.25034E-05 -0.83280E-06 576 0.202E-02
254 F= -.11607588E+03 E0= -.11605709E+03 d E =-.153826E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116075918020E+03 -0.34071E-04 -0.33100E-02 640 0.956E-01 0.520E-02
DAV: 2 -0.116075963184E+03 -0.45164E-04 -0.57006E-04 848 0.115E-01 0.314E-02
DAV: 3 -0.116075957129E+03 0.60549E-05 -0.17503E-05 592 0.289E-02
255 F= -.11607596E+03 E0= -.11605717E+03 d E =-.229509E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116076102208E+03 -0.13902E-03 -0.18379E-02 640 0.704E-01 0.355E-02
DAV: 2 -0.116076121607E+03 -0.19399E-04 -0.26373E-04 856 0.783E-02 0.225E-02
DAV: 3 -0.116076119855E+03 0.17517E-05 -0.11316E-05 576 0.230E-02
256 F= -.11607612E+03 E0= -.11605733E+03 d E =-.162726E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116076173056E+03 -0.51449E-04 -0.56243E-02 640 0.123E+00 0.615E-02
DAV: 2 -0.116076235813E+03 -0.62757E-04 -0.83400E-04 848 0.139E-01 0.390E-02
DAV: 3 -0.116076229079E+03 0.67338E-05 -0.25153E-05 640 0.350E-02
257 F= -.11607623E+03 E0= -.11605744E+03 d E =-.271949E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116076389645E+03 -0.15383E-03 -0.28843E-02 640 0.881E-01 0.504E-02
DAV: 2 -0.116076423511E+03 -0.33866E-04 -0.46907E-04 824 0.108E-01 0.275E-02
DAV: 3 -0.116076420404E+03 0.31069E-05 -0.17124E-05 592 0.251E-02
258 F= -.11607642E+03 E0= -.11605763E+03 d E =-.191326E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116076448063E+03 -0.24552E-04 -0.21790E-02 640 0.764E-01 0.443E-02
DAV: 2 -0.116076473973E+03 -0.25910E-04 -0.33532E-04 800 0.900E-02 0.242E-02
DAV: 3 -0.116076472154E+03 0.18198E-05 -0.10439E-05 568 0.198E-02
259 F= -.11607647E+03 E0= -.11605768E+03 d E =-.243075E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116076611598E+03 -0.13762E-03 -0.30184E-02 640 0.906E-01 0.478E-02
DAV: 2 -0.116076653281E+03 -0.41683E-04 -0.52952E-04 840 0.111E-01 0.279E-02
DAV: 3 -0.116076650118E+03 0.31631E-05 -0.19316E-05 560 0.264E-02
260 F= -.11607665E+03 E0= -.11605786E+03 d E =-.177964E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116076673542E+03 -0.20261E-04 -0.23485E-02 640 0.798E-01 0.433E-02
DAV: 2 -0.116076704703E+03 -0.31161E-04 -0.40321E-04 864 0.966E-02 0.251E-02
DAV: 3 -0.116076702381E+03 0.23220E-05 -0.12897E-05 568 0.217E-02
261 F= -.11607670E+03 E0= -.11605791E+03 d E =-.230228E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116076847717E+03 -0.14301E-03 -0.42379E-02 640 0.109E+00 0.579E-02
DAV: 2 -0.116076905532E+03 -0.57815E-04 -0.76393E-04 768 0.135E-01 0.324E-02
DAV: 3 -0.116076900646E+03 0.48861E-05 -0.21070E-05 656 0.306E-02
262 F= -.11607690E+03 E0= -.11605811E+03 d E =-.198265E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116076910642E+03 -0.51102E-05 -0.31677E-02 640 0.943E-01 0.507E-02
DAV: 2 -0.116076949540E+03 -0.38897E-04 -0.54266E-04 784 0.114E-01 0.275E-02
DAV: 3 -0.116076946631E+03 0.29091E-05 -0.15748E-05 656 0.260E-02
263 F= -.11607695E+03 E0= -.11605816E+03 d E =-.244249E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116077078309E+03 -0.12877E-03 -0.20785E-02 640 0.756E-01 0.387E-02
DAV: 2 -0.116077102662E+03 -0.24353E-04 -0.33300E-04 744 0.884E-02 0.231E-02
DAV: 3 -0.116077100443E+03 0.22191E-05 -0.12893E-05 648 0.231E-02
264 F= -.11607710E+03 E0= -.11605831E+03 d E =-.153812E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116077120104E+03 -0.17442E-04 -0.11098E-01 640 0.175E+00 0.879E-02
DAV: 2 -0.116077259731E+03 -0.13963E-03 -0.18372E-03 752 0.207E-01 0.529E-02
DAV: 3 -0.116077247200E+03 0.12531E-04 -0.68278E-05 872 0.517E-02 0.279E-02
DAV: 4 -0.116077248999E+03 -0.17991E-05 -0.40592E-05 768 0.365E-02
265 F= -.11607725E+03 E0= -.11605846E+03 d E =-.302368E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116077387070E+03 -0.13987E-03 -0.24755E-02 640 0.816E-01 0.461E-02
DAV: 2 -0.116077423677E+03 -0.36607E-04 -0.48377E-04 832 0.107E-01 0.262E-02
DAV: 3 -0.116077420693E+03 0.29845E-05 -0.16811E-05 576 0.250E-02
266 F= -.11607742E+03 E0= -.11605863E+03 d E =-.171694E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116077438099E+03 -0.14422E-04 -0.26990E-02 640 0.852E-01 0.483E-02
DAV: 2 -0.116077474611E+03 -0.36512E-04 -0.48811E-04 848 0.108E-01 0.273E-02
DAV: 3 -0.116077471359E+03 0.32523E-05 -0.17007E-05 576 0.248E-02
267 F= -.11607747E+03 E0= -.11605868E+03 d E =-.222360E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116077623622E+03 -0.14901E-03 -0.36653E-02 640 0.993E-01 0.517E-02
DAV: 2 -0.116077669871E+03 -0.46249E-04 -0.60767E-04 768 0.117E-01 0.293E-02
DAV: 3 -0.116077668320E+03 0.15506E-05 -0.30080E-05 728 0.276E-02
268 F= -.11607767E+03 E0= -.11605888E+03 d E =-.196961E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116077706321E+03 -0.36450E-04 -0.64211E-02 640 0.131E+00 0.700E-02
DAV: 2 -0.116077784898E+03 -0.78576E-04 -0.10474E-03 744 0.153E-01 0.396E-02
DAV: 3 -0.116077781647E+03 0.32501E-05 -0.54824E-05 784 0.373E-02
269 F= -.11607778E+03 E0= -.11605899E+03 d E =-.310289E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116077977465E+03 -0.19257E-03 -0.62197E-02 640 0.132E+00 0.731E-02
DAV: 2 -0.116078064372E+03 -0.86907E-04 -0.11586E-03 840 0.164E-01 0.392E-02
DAV: 3 -0.116078056542E+03 0.78301E-05 -0.30340E-05 648 0.351E-02
270 F= -.11607806E+03 E0= -.11605927E+03 d E =-.274894E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116077997035E+03 0.67337E-04 -0.13278E-01 640 0.193E+00 0.104E-01
DAV: 2 -0.116078184339E+03 -0.18730E-03 -0.24887E-03 832 0.239E-01 0.544E-02
DAV: 3 -0.116078168162E+03 0.16176E-04 -0.61945E-05 816 0.491E-02 0.306E-02
DAV: 4 -0.116078166869E+03 0.12934E-05 -0.59510E-05 680 0.487E-02
271 F= -.11607817E+03 E0= -.11605938E+03 d E =-.385221E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116078153302E+03 0.14861E-04 -0.12766E-02 640 0.600E-01 0.298E-02
DAV: 2 -0.116078171647E+03 -0.18346E-04 -0.22782E-04 800 0.730E-02 0.169E-02
DAV: 3 -0.116078170474E+03 0.11738E-05 -0.67845E-06 568 0.161E-02
272 F= -.11607817E+03 E0= -.11605938E+03 d E =-.388826E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116078347733E+03 -0.17609E-03 -0.51080E-02 640 0.118E+00 0.604E-02
DAV: 2 -0.116078419709E+03 -0.71976E-04 -0.95831E-04 776 0.148E-01 0.370E-02
DAV: 3 -0.116078411848E+03 0.78606E-05 -0.30825E-05 704 0.366E-02
273 F= -.11607841E+03 E0= -.11605962E+03 d E =-.241375E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116078423371E+03 -0.36621E-05 -0.90150E-02 640 0.157E+00 0.842E-02
DAV: 2 -0.116078530047E+03 -0.10668E-03 -0.16155E-03 792 0.194E-01 0.486E-02
DAV: 3 -0.116078520545E+03 0.95016E-05 -0.55789E-05 800 0.462E-02
274 F= -.11607852E+03 E0= -.11605973E+03 d E =-.350072E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116078646293E+03 -0.11625E-03 -0.57664E-02 640 0.125E+00 0.648E-02
DAV: 2 -0.116078709835E+03 -0.63542E-04 -0.92334E-04 848 0.147E-01 0.381E-02
DAV: 3 -0.116078706894E+03 0.29406E-05 -0.40035E-05 784 0.347E-02
275 F= -.11607871E+03 E0= -.11605992E+03 d E =-.186349E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116078715236E+03 -0.54010E-05 -0.47206E-02 640 0.113E+00 0.590E-02
DAV: 2 -0.116078770881E+03 -0.55645E-04 -0.75587E-04 848 0.131E-01 0.353E-02
DAV: 3 -0.116078767230E+03 0.36512E-05 -0.22389E-05 664 0.286E-02
276 F= -.11607877E+03 E0= -.11605998E+03 d E =-.246684E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116078935110E+03 -0.16423E-03 -0.38848E-02 640 0.103E+00 0.537E-02
DAV: 2 -0.116078985305E+03 -0.50194E-04 -0.63037E-04 776 0.120E-01 0.307E-02
DAV: 3 -0.116078983518E+03 0.17869E-05 -0.20881E-05 568 0.261E-02
277 F= -.11607898E+03 E0= -.11606019E+03 d E =-.216288E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116078843144E+03 0.14216E-03 -0.35173E-01 640 0.311E+00 0.159E-01
DAV: 2 -0.116079301858E+03 -0.45871E-03 -0.57132E-03 720 0.361E-01 0.915E-02
DAV: 3 -0.116079270474E+03 0.31384E-04 -0.17730E-04 776 0.727E-02 0.439E-02
DAV: 4 -0.116079268937E+03 0.15365E-05 -0.62137E-05 752 0.470E-02
278 F= -.11607927E+03 E0= -.11606048E+03 d E =-.501707E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116079424308E+03 -0.15383E-03 -0.67720E-02 640 0.135E+00 0.701E-02
DAV: 2 -0.116079503237E+03 -0.78929E-04 -0.10372E-03 736 0.153E-01 0.416E-02
DAV: 3 -0.116079500057E+03 0.31802E-05 -0.29783E-05 680 0.310E-02
279 F= -.11607950E+03 E0= -.11606071E+03 d E =-.231120E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116079099473E+03 0.40376E-03 -0.50160E-01 640 0.367E+00 0.187E-01
DAV: 2 -0.116079667910E+03 -0.56844E-03 -0.74882E-03 736 0.413E-01 0.112E-01
DAV: 3 -0.116079637593E+03 0.30317E-04 -0.23502E-04 840 0.835E-02 0.535E-02
DAV: 4 -0.116079641367E+03 -0.37742E-05 -0.91982E-05 736 0.522E-02
280 F= -.11607964E+03 E0= -.11606085E+03 d E =-.372430E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116079580881E+03 0.56712E-04 -0.88115E-02 640 0.154E+00 0.762E-02
DAV: 2 -0.116079679735E+03 -0.98855E-04 -0.12691E-03 728 0.170E-01 0.470E-02
DAV: 3 -0.116079675096E+03 0.46395E-05 -0.38171E-05 632 0.343E-02
281 F= -.11607968E+03 E0= -.11606088E+03 d E =-.406159E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116079884435E+03 -0.20470E-03 -0.89247E-02 640 0.156E+00 0.771E-02
DAV: 2 -0.116079996336E+03 -0.11190E-03 -0.14258E-03 744 0.181E-01 0.475E-02
DAV: 3 -0.116079985975E+03 0.10361E-04 -0.48625E-05 744 0.446E-02 0.246E-02
DAV: 4 -0.116079987661E+03 -0.16858E-05 -0.32848E-05 624 0.325E-02
282 F= -.11607999E+03 E0= -.11606120E+03 d E =-.312565E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116080021507E+03 -0.35532E-04 -0.20696E-01 640 0.237E+00 0.120E-01
DAV: 2 -0.116080281268E+03 -0.25976E-03 -0.33471E-03 744 0.276E-01 0.727E-02
DAV: 3 -0.116080258488E+03 0.22781E-04 -0.11148E-04 856 0.674E-02 0.383E-02
DAV: 4 -0.116080261357E+03 -0.28689E-05 -0.79683E-05 736 0.506E-02
283 F= -.11608026E+03 E0= -.11606147E+03 d E =-.586261E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116080272842E+03 -0.14354E-04 -0.14572E-02 640 0.629E-01 0.343E-02
DAV: 2 -0.116080293585E+03 -0.20743E-04 -0.27193E-04 776 0.789E-02 0.203E-02
DAV: 3 -0.116080291878E+03 0.17074E-05 -0.81790E-06 576 0.202E-02
284 F= -.11608029E+03 E0= -.11606150E+03 d E =-.616782E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116080248652E+03 0.44933E-04 -0.56370E-02 640 0.124E+00 0.626E-02
DAV: 2 -0.116080313343E+03 -0.64691E-04 -0.87257E-04 728 0.141E-01 0.370E-02
DAV: 3 -0.116080308973E+03 0.43700E-05 -0.26243E-05 752 0.319E-02
285 F= -.11608031E+03 E0= -.11606152E+03 d E =-.633877E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116080393161E+03 -0.79817E-04 -0.13982E-01 640 0.197E+00 0.986E-02
DAV: 2 -0.116080570749E+03 -0.17759E-03 -0.22703E-03 728 0.228E-01 0.563E-02
DAV: 3 -0.116080561957E+03 0.87919E-05 -0.59401E-05 720 0.462E-02
286 F= -.11608056E+03 E0= -.11606177E+03 d E =-.252984E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116080187909E+03 0.38284E-03 -0.48492E-01 640 0.366E+00 0.183E-01
DAV: 2 -0.116080805680E+03 -0.61777E-03 -0.78692E-03 736 0.424E-01 0.105E-01
DAV: 3 -0.116080770849E+03 0.34830E-04 -0.20665E-04 824 0.870E-02 0.556E-02
DAV: 4 -0.116080775553E+03 -0.47036E-05 -0.15136E-04 744 0.723E-02 0.128E-02
DAV: 5 -0.116080774078E+03 0.14750E-05 -0.27607E-05 808 0.312E-02
287 F= -.11608077E+03 E0= -.11606198E+03 d E =-.465105E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116080983901E+03 -0.20835E-03 -0.18200E-01 640 0.223E+00 0.112E-01
DAV: 2 -0.116081214522E+03 -0.23062E-03 -0.29349E-03 720 0.258E-01 0.646E-02
DAV: 3 -0.116081204929E+03 0.95926E-05 -0.83747E-05 832 0.506E-02
288 F= -.11608120E+03 E0= -.11606241E+03 d E =-.430851E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116080594618E+03 0.61990E-03 -0.98303E-01 640 0.520E+00 0.263E-01
DAV: 2 -0.116081791727E+03 -0.11971E-02 -0.15474E-02 696 0.592E-01 0.151E-01
DAV: 3 -0.116081734783E+03 0.56945E-04 -0.46517E-04 840 0.117E-01 0.745E-02
DAV: 4 -0.116081739234E+03 -0.44514E-05 -0.18663E-04 720 0.805E-02 0.136E-02
DAV: 5 -0.116081739673E+03 -0.43911E-06 -0.35040E-05 816 0.328E-02
289 F= -.11608174E+03 E0= -.11606295E+03 d E =-.965595E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116081628056E+03 0.11118E-03 -0.12307E-01 640 0.184E+00 0.928E-02
DAV: 2 -0.116081787127E+03 -0.15907E-03 -0.19935E-03 760 0.212E-01 0.530E-02
DAV: 3 -0.116081781488E+03 0.56386E-05 -0.54600E-05 792 0.418E-02
290 F= -.11608178E+03 E0= -.11606299E+03 d E =-.100741E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116081947716E+03 -0.16059E-03 -0.21473E-01 640 0.242E+00 0.122E-01
DAV: 2 -0.116082197166E+03 -0.24945E-03 -0.32567E-03 728 0.273E-01 0.716E-02
DAV: 3 -0.116082188021E+03 0.91450E-05 -0.10647E-04 848 0.556E-02 0.336E-02
DAV: 4 -0.116082192035E+03 -0.40139E-05 -0.36644E-05 656 0.356E-02
291 F= -.11608219E+03 E0= -.11606340E+03 d E =-.410547E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116082282468E+03 -0.94447E-04 -0.55094E-02 640 0.122E+00 0.624E-02
DAV: 2 -0.116082351533E+03 -0.69065E-04 -0.88258E-04 776 0.142E-01 0.364E-02
DAV: 3 -0.116082349656E+03 0.18769E-05 -0.24699E-05 640 0.283E-02
292 F= -.11608235E+03 E0= -.11606356E+03 d E =-.568168E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116082325084E+03 0.26449E-04 -0.21748E-01 640 0.243E+00 0.122E-01
DAV: 2 -0.116082580378E+03 -0.25529E-03 -0.33279E-03 768 0.276E-01 0.720E-02
DAV: 3 -0.116082569893E+03 0.10486E-04 -0.10617E-04 856 0.556E-02 0.342E-02
DAV: 4 -0.116082572143E+03 -0.22506E-05 -0.38814E-05 704 0.363E-02
293 F= -.11608257E+03 E0= -.11606378E+03 d E =-.790655E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116081617114E+03 0.95278E-03 -0.87726E-01 640 0.488E+00 0.245E-01
DAV: 2 -0.116082693709E+03 -0.10766E-02 -0.13836E-02 736 0.562E-01 0.145E-01
DAV: 3 -0.116082632228E+03 0.61481E-04 -0.41044E-04 848 0.112E-01 0.708E-02
DAV: 4 -0.116082639591E+03 -0.73631E-05 -0.18898E-04 752 0.775E-02 0.143E-02
DAV: 5 -0.116082638549E+03 0.10424E-05 -0.32213E-05 784 0.332E-02
294 F= -.11608264E+03 E0= -.11606384E+03 d E =-.857061E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116082451344E+03 0.18825E-03 -0.19500E-01 640 0.230E+00 0.115E-01
DAV: 2 -0.116082684103E+03 -0.23276E-03 -0.29715E-03 744 0.261E-01 0.688E-02
DAV: 3 -0.116082673815E+03 0.10287E-04 -0.91802E-05 760 0.523E-02 0.318E-02
DAV: 4 -0.116082678243E+03 -0.44272E-05 -0.35319E-05 688 0.339E-02
295 F= -.11608268E+03 E0= -.11606388E+03 d E =-.896755E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116082627012E+03 0.46804E-04 -0.48741E-02 640 0.115E+00 0.562E-02
DAV: 2 -0.116082684063E+03 -0.57051E-04 -0.73289E-04 768 0.129E-01 0.342E-02
DAV: 3 -0.116082680313E+03 0.37497E-05 -0.22125E-05 624 0.264E-02
296 F= -.11608268E+03 E0= -.11606389E+03 d E =-.898825E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116082653553E+03 0.30510E-04 -0.53493E-01 640 0.381E+00 0.193E-01
DAV: 2 -0.116083275200E+03 -0.62165E-03 -0.80467E-03 680 0.426E-01 0.115E-01
DAV: 3 -0.116083230155E+03 0.45045E-04 -0.23842E-04 848 0.968E-02 0.575E-02
DAV: 4 -0.116083237149E+03 -0.69945E-05 -0.16431E-04 776 0.730E-02 0.143E-02
DAV: 5 -0.116083233648E+03 0.35014E-05 -0.28057E-05 792 0.320E-02
297 F= -.11608323E+03 E0= -.11606444E+03 d E =-.553335E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116082124177E+03 0.11130E-02 -0.13065E+00 640 0.595E+00 0.301E-01
DAV: 2 -0.116083692912E+03 -0.15687E-02 -0.20066E-02 696 0.674E-01 0.180E-01
DAV: 3 -0.116083568586E+03 0.12433E-03 -0.60298E-04 848 0.156E-01 0.917E-02
DAV: 4 -0.116083585944E+03 -0.17358E-04 -0.42866E-04 784 0.118E-01 0.237E-02
DAV: 5 -0.116083576062E+03 0.98816E-05 -0.82334E-05 800 0.559E-02
298 F= -.11608358E+03 E0= -.11606478E+03 d E =-.895749E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116083603676E+03 -0.17732E-04 -0.45274E-01 640 0.348E+00 0.182E-01
DAV: 2 -0.116084130792E+03 -0.52712E-03 -0.69137E-03 760 0.396E-01 0.110E-01
DAV: 3 -0.116084089626E+03 0.41166E-04 -0.22872E-04 824 0.980E-02 0.540E-02
DAV: 4 -0.116084098281E+03 -0.86549E-05 -0.11857E-04 752 0.621E-02 0.126E-02
DAV: 5 -0.116084097668E+03 0.61324E-06 -0.23878E-05 744 0.311E-02
299 F= -.11608410E+03 E0= -.11606530E+03 d E =-.521605E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116084083077E+03 0.15204E-04 -0.41918E-02 640 0.106E+00 0.552E-02
DAV: 2 -0.116084133458E+03 -0.50381E-04 -0.63667E-04 800 0.120E-01 0.334E-02
DAV: 3 -0.116084131263E+03 0.21950E-05 -0.20028E-05 640 0.304E-02
300 F= -.11608413E+03 E0= -.11606534E+03 d E =-.555200E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116084314245E+03 -0.18079E-03 -0.11620E-01 640 0.175E+00 0.940E-02
DAV: 2 -0.116084432857E+03 -0.11861E-03 -0.16877E-03 776 0.198E-01 0.558E-02
DAV: 3 -0.116084424766E+03 0.80915E-05 -0.73209E-05 808 0.464E-02
301 F= -.11608442E+03 E0= -.11606563E+03 d E =-.293503E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116084445464E+03 -0.12607E-04 -0.73715E-02 640 0.140E+00 0.777E-02
DAV: 2 -0.116084519531E+03 -0.74067E-04 -0.10450E-03 784 0.155E-01 0.459E-02
DAV: 3 -0.116084515015E+03 0.45164E-05 -0.44052E-05 720 0.367E-02
302 F= -.11608452E+03 E0= -.11606572E+03 d E =-.383752E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116084631712E+03 -0.11218E-03 -0.60425E-02 656 0.128E+00 0.699E-02
DAV: 2 -0.116084706200E+03 -0.74488E-04 -0.95250E-04 808 0.150E-01 0.416E-02
DAV: 3 -0.116084699820E+03 0.63804E-05 -0.38610E-05 680 0.342E-02
303 F= -.11608470E+03 E0= -.11606590E+03 d E =-.184805E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116084702729E+03 0.34715E-05 -0.80750E-04 720 0.149E-01 0.106E-02
DAV: 2 -0.116084703904E+03 -0.11755E-05 -0.11004E-05 640 0.169E-02
304 F= -.11608470E+03 E0= -.11606591E+03 d E =-.188890E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116084780341E+03 -0.77612E-04 -0.19959E-02 640 0.743E-01 0.406E-02
DAV: 2 -0.116084807397E+03 -0.27056E-04 -0.34163E-04 792 0.899E-02 0.244E-02
DAV: 3 -0.116084804796E+03 0.26010E-05 -0.11248E-05 552 0.221E-02
305 F= -.11608480E+03 E0= -.11606601E+03 d E =-.100892E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116084813466E+03 -0.60694E-05 -0.11950E-02 672 0.576E-01 0.316E-02
DAV: 2 -0.116084829112E+03 -0.15646E-04 -0.19764E-04 808 0.680E-02 0.185E-02
DAV: 3 -0.116084827971E+03 0.11408E-05 -0.60676E-06 592 0.163E-02
306 F= -.11608483E+03 E0= -.11606603E+03 d E =-.124067E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116084895408E+03 -0.66296E-04 -0.18683E-02 640 0.723E-01 0.371E-02
DAV: 2 -0.116084920839E+03 -0.25431E-04 -0.31812E-04 808 0.862E-02 0.220E-02
DAV: 3 -0.116084918634E+03 0.22046E-05 -0.81456E-06 592 0.184E-02
307 F= -.11608492E+03 E0= -.11606612E+03 d E =-.906628E-04
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116084921119E+03 -0.27979E-06 -0.29046E-02 640 0.902E-01 0.464E-02
DAV: 2 -0.116084959481E+03 -0.38362E-04 -0.49016E-04 840 0.107E-01 0.272E-02
DAV: 3 -0.116084955988E+03 0.34928E-05 -0.11704E-05 592 0.223E-02
308 F= -.11608496E+03 E0= -.11606616E+03 d E =-.128017E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116085033797E+03 -0.74316E-04 -0.28043E-02 640 0.889E-01 0.446E-02
DAV: 2 -0.116085070257E+03 -0.36460E-04 -0.48313E-04 824 0.106E-01 0.264E-02
DAV: 3 -0.116085068379E+03 0.18782E-05 -0.14429E-05 544 0.226E-02
309 F= -.11608507E+03 E0= -.11606627E+03 d E =-.112391E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116085058952E+03 0.11305E-04 -0.48420E-02 640 0.117E+00 0.585E-02
DAV: 2 -0.116085122548E+03 -0.63596E-04 -0.82579E-04 824 0.138E-01 0.348E-02
DAV: 3 -0.116085119003E+03 0.35448E-05 -0.24597E-05 632 0.289E-02
310 F= -.11608512E+03 E0= -.11606632E+03 d E =-.163015E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116085192060E+03 -0.69512E-04 -0.12928E-02 640 0.605E-01 0.314E-02
DAV: 2 -0.116085208039E+03 -0.15978E-04 -0.21492E-04 784 0.706E-02 0.181E-02
DAV: 3 -0.116085207888E+03 0.15105E-06 -0.89185E-06 576 0.167E-02
311 F= -.11608521E+03 E0= -.11606641E+03 d E =-.888843E-04
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116085203981E+03 0.40571E-05 -0.11829E-01 640 0.183E+00 0.903E-02
DAV: 2 -0.116085365582E+03 -0.16160E-03 -0.20599E-03 752 0.218E-01 0.531E-02
DAV: 3 -0.116085357707E+03 0.78746E-05 -0.71719E-05 848 0.480E-02
312 F= -.11608536E+03 E0= -.11606656E+03 d E =-.238704E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116085362352E+03 0.32303E-05 -0.58141E-03 736 0.407E-01 0.238E-02
DAV: 2 -0.116085367564E+03 -0.52124E-05 -0.89427E-05 824 0.469E-02
313 F= -.11608537E+03 E0= -.11606657E+03 d E =-.248561E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116085452866E+03 -0.90514E-04 -0.21866E-02 640 0.791E-01 0.418E-02
DAV: 2 -0.116085485422E+03 -0.32556E-04 -0.40528E-04 816 0.966E-02 0.249E-02
DAV: 3 -0.116085482733E+03 0.26892E-05 -0.10590E-05 608 0.218E-02
314 F= -.11608548E+03 E0= -.11606669E+03 d E =-.115168E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116085452400E+03 0.33021E-04 -0.70252E-02 640 0.142E+00 0.686E-02
DAV: 2 -0.116085555652E+03 -0.10325E-03 -0.12957E-03 824 0.173E-01 0.396E-02
DAV: 3 -0.116085548753E+03 0.68991E-05 -0.31795E-05 696 0.341E-02
315 F= -.11608555E+03 E0= -.11606675E+03 d E =-.181189E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116085610040E+03 -0.54387E-04 -0.22118E-02 648 0.795E-01 0.385E-02
DAV: 2 -0.116085638265E+03 -0.28225E-04 -0.37063E-04 760 0.919E-02 0.224E-02
DAV: 3 -0.116085636935E+03 0.13305E-05 -0.11455E-05 648 0.207E-02
316 F= -.11608564E+03 E0= -.11606684E+03 d E =-.881814E-04
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116085482785E+03 0.15548E-03 -0.20264E-01 640 0.240E+00 0.112E-01
DAV: 2 -0.116085773667E+03 -0.29088E-03 -0.35405E-03 728 0.283E-01 0.670E-02
DAV: 3 -0.116085754276E+03 0.19391E-04 -0.98336E-05 864 0.604E-02 0.362E-02
DAV: 4 -0.116085755694E+03 -0.14179E-05 -0.69530E-05 744 0.497E-02
317 F= -.11608576E+03 E0= -.11606696E+03 d E =-.206940E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116085726175E+03 0.28101E-04 -0.15470E-02 640 0.665E-01 0.288E-02
DAV: 2 -0.116085747348E+03 -0.21174E-04 -0.25210E-04 704 0.757E-02 0.184E-02
DAV: 3 -0.116085745824E+03 0.15240E-05 -0.72784E-06 552 0.164E-02
318 F= -.11608575E+03 E0= -.11606695E+03 d E =-.197071E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116085748400E+03 -0.10518E-05 -0.33081E-03 712 0.307E-01 0.136E-02
DAV: 2 -0.116085753879E+03 -0.54786E-05 -0.64313E-05 768 0.386E-02
319 F= -.11608575E+03 E0= -.11606696E+03 d E =-.205125E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116085838569E+03 -0.90169E-04 -0.26062E-02 672 0.869E-01 0.452E-02
DAV: 2 -0.116085889066E+03 -0.50497E-04 -0.59600E-04 832 0.116E-01 0.259E-02
DAV: 3 -0.116085885600E+03 0.34665E-05 -0.10219E-05 560 0.196E-02
320 F= -.11608589E+03 E0= -.11606709E+03 d E =-.131721E-03