N E dE d eps ncg rms rms(c)
DAV: 1 0.297372297184E+04 0.29737E+04 -0.23762E+05 5376 0.121E+03
DAV: 2 -0.527089475779E+03 -0.35008E+04 -0.33816E+04 6576 0.297E+02
DAV: 3 -0.843584752197E+03 -0.31650E+03 -0.31228E+03 6344 0.938E+01
DAV: 4 -0.852746508635E+03 -0.91618E+01 -0.91038E+01 6808 0.155E+01
DAV: 5 -0.852952705585E+03 -0.20620E+00 -0.20555E+00 6376 0.233E+00 0.623E+01
DAV: 6 -0.763461364981E+03 0.89491E+02 -0.42717E+02 6072 0.325E+01 0.314E+01
DAV: 7 -0.761110275100E+03 0.23511E+01 -0.41889E+01 6552 0.120E+01 0.146E+01
DAV: 8 -0.759959302117E+03 0.11510E+01 -0.11993E+01 7040 0.654E+00 0.787E+00
DAV: 9 -0.759632521423E+03 0.32678E+00 -0.24885E+00 6528 0.317E+00 0.323E+00
DAV: 10 -0.759626689745E+03 0.58317E-02 -0.67295E-01 6584 0.169E+00 0.143E+00
DAV: 11 -0.759626495272E+03 0.19447E-03 -0.12451E-01 6560 0.797E-01 0.885E-01
DAV: 12 -0.759628144358E+03 -0.16491E-02 -0.76869E-02 6808 0.513E-01 0.616E-01
DAV: 13 -0.759627649165E+03 0.49519E-03 -0.30902E-02 7424 0.327E-01 0.342E-01
DAV: 14 -0.759626596165E+03 0.10530E-02 -0.64720E-03 7368 0.218E-01 0.142E-01
DAV: 15 -0.759626517131E+03 0.79034E-04 -0.23184E-03 6424 0.103E-01 0.797E-02
DAV: 16 -0.759626411737E+03 0.10539E-03 -0.50761E-04 6576 0.621E-02 0.447E-02
DAV: 17 -0.759626331742E+03 0.79995E-04 -0.23271E-04 6968 0.576E-02 0.217E-02
DAV: 18 -0.759626313704E+03 0.18037E-04 -0.18351E-04 7136 0.372E-02 0.175E-02
DAV: 19 -0.759626307335E+03 0.63696E-05 -0.32606E-05 4920 0.146E-02
1 F= -.75962631E+03 E0= -.75962720E+03 d E =-.759626E+03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.571882969523E+03 0.18774E+03 -0.26287E+04 5416 0.322E+02 0.942E+01
DAV: 2 -0.834822265051E+03 -0.26294E+03 -0.28318E+03 6304 0.945E+01 0.469E+01
DAV: 3 -0.806804641898E+03 0.28018E+02 -0.18851E+02 6312 0.246E+01 0.264E+01
DAV: 4 -0.799879632470E+03 0.69250E+01 -0.52783E+01 6160 0.162E+01 0.141E+01
DAV: 5 -0.799241977784E+03 0.63765E+00 -0.99625E+00 6480 0.566E+00 0.115E+01
DAV: 6 -0.799109384478E+03 0.13259E+00 -0.93378E+00 6888 0.293E+00 0.910E+00
DAV: 7 -0.798519992608E+03 0.58939E+00 -0.13384E+00 6096 0.283E+00 0.439E+00
DAV: 8 -0.798537055254E+03 -0.17063E-01 -0.27901E+00 7072 0.216E+00 0.476E+00
DAV: 9 -0.798496030808E+03 0.41024E-01 -0.36468E+00 6912 0.146E+00 0.283E+00
DAV: 10 -0.798447981242E+03 0.48050E-01 -0.11923E+00 6848 0.916E-01 0.295E+00
DAV: 11 -0.798412442905E+03 0.35538E-01 -0.52061E-01 6448 0.482E-01 0.771E-01
DAV: 12 -0.798424407605E+03 -0.11965E-01 -0.17307E-01 6528 0.285E-01 0.152E+00
DAV: 13 -0.798412818437E+03 0.11589E-01 -0.10883E-01 6840 0.224E-01 0.230E-01
DAV: 14 -0.798414925516E+03 -0.21071E-02 -0.24295E-03 5936 0.880E-02 0.611E-02
DAV: 15 -0.798414932544E+03 -0.70282E-05 -0.37433E-04 6224 0.407E-02 0.103E-01
DAV: 16 -0.798414973284E+03 -0.40740E-04 -0.15587E-04 6288 0.239E-02 0.162E-01
DAV: 17 -0.798414855869E+03 0.11741E-03 -0.86088E-04 4720 0.288E-02 0.617E-02
DAV: 18 -0.798414875675E+03 -0.19806E-04 -0.73404E-05 5504 0.158E-02 0.158E-02
DAV: 19 -0.798414874517E+03 0.11572E-05 -0.66875E-06 3352 0.572E-03
2 F= -.79841487E+03 E0= -.79839465E+03 d E =-.387886E+02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.798417823213E+03 -0.29475E-02 -0.31687E+03 5376 0.115E+02 0.178E+01
DAV: 2 -0.809991840830E+03 -0.11574E+02 -0.14921E+02 6216 0.209E+01 0.112E+01
DAV: 3 -0.808716359502E+03 0.12755E+01 -0.14856E+01 6704 0.540E+00 0.662E+00
DAV: 4 -0.808031013997E+03 0.68535E+00 -0.16480E+00 6352 0.295E+00 0.434E+00
DAV: 5 -0.808651812463E+03 -0.62080E+00 -0.11267E+01 6848 0.354E+00 0.608E+00
DAV: 6 -0.807867987379E+03 0.78383E+00 -0.21463E+00 7672 0.264E+00 0.144E+00
DAV: 7 -0.807895812570E+03 -0.27825E-01 -0.34117E-01 6208 0.990E-01 0.180E+00
DAV: 8 -0.807873290937E+03 0.22522E-01 -0.10563E-01 6544 0.522E-01 0.563E-01
DAV: 9 -0.807876437547E+03 -0.31466E-02 -0.42293E-02 6080 0.215E-01 0.866E-01
DAV: 10 -0.807898296084E+03 -0.21859E-01 -0.35197E-01 8400 0.439E-01 0.248E+00
DAV: 11 -0.807867571765E+03 0.30724E-01 -0.19632E-01 7104 0.286E-01 0.291E-01
DAV: 12 -0.807872085191E+03 -0.45134E-02 -0.84565E-03 6304 0.129E-01 0.316E-01
DAV: 13 -0.807872016235E+03 0.68957E-04 -0.10928E-03 5944 0.652E-02 0.180E-01
DAV: 14 -0.807871863298E+03 0.15294E-03 -0.37709E-04 6552 0.286E-02 0.573E-02
DAV: 15 -0.807871932405E+03 -0.69107E-04 -0.48243E-04 5792 0.272E-02 0.102E-01
DAV: 16 -0.807871880878E+03 0.51527E-04 -0.25917E-04 5136 0.188E-02 0.106E-02
DAV: 17 -0.807871887634E+03 -0.67562E-05 -0.16664E-05 3968 0.854E-03
3 F= -.80787189E+03 E0= -.80785712E+03 d E =-.482456E+02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.720827212957E+03 0.87045E+02 -0.14535E+04 5400 0.244E+02 0.558E+01
DAV: 2 -0.807569248156E+03 -0.86742E+02 -0.93534E+02 6136 0.531E+01 0.281E+01
DAV: 3 -0.796631993719E+03 0.10937E+02 -0.47868E+01 6248 0.137E+01 0.160E+01
DAV: 4 -0.794449076119E+03 0.21829E+01 -0.28250E+01 6232 0.962E+00 0.999E+00
DAV: 5 -0.793503378921E+03 0.94570E+00 -0.78133E+00 6472 0.448E+00 0.664E+00
DAV: 6 -0.793369629529E+03 0.13375E+00 -0.38350E+00 6584 0.230E+00 0.655E+00
DAV: 7 -0.793180110656E+03 0.18952E+00 -0.74467E+00 7600 0.298E+00 0.310E+00
DAV: 8 -0.793266283563E+03 -0.86173E-01 -0.11446E+00 6248 0.180E+00 0.291E+00
DAV: 9 -0.793271682160E+03 -0.53986E-02 -0.21179E+00 6688 0.117E+00 0.352E+00
DAV: 10 -0.793139222427E+03 0.13246E+00 -0.10641E-01 6432 0.813E-01 0.169E+00
DAV: 11 -0.793106534672E+03 0.32688E-01 -0.95784E-02 6192 0.615E-01 0.874E-01
DAV: 12 -0.793100437537E+03 0.60971E-02 -0.43118E-02 6352 0.330E-01 0.786E-01
DAV: 13 -0.793094739876E+03 0.56977E-02 -0.10119E-02 6344 0.222E-01 0.573E-01
DAV: 14 -0.793089698383E+03 0.50415E-02 -0.10163E-02 7200 0.229E-01 0.330E-01
DAV: 15 -0.793087639631E+03 0.20588E-02 -0.69868E-03 6368 0.197E-01 0.328E-01
DAV: 16 -0.793087276286E+03 0.36335E-03 -0.17357E-02 6608 0.178E-01 0.582E-01
DAV: 17 -0.793084494345E+03 0.27819E-02 -0.20243E-02 7576 0.217E-01 0.241E-01
DAV: 18 -0.793084117995E+03 0.37635E-03 -0.30423E-03 6264 0.100E-01 0.120E-01
DAV: 19 -0.793083932772E+03 0.18522E-03 -0.29195E-04 6256 0.370E-02 0.116E-01
DAV: 20 -0.793083519821E+03 0.41295E-03 -0.54329E-04 7312 0.526E-02 0.836E-02
DAV: 21 -0.793082916843E+03 0.60298E-03 -0.73889E-03 7824 0.171E-01 0.991E-02
DAV: 22 -0.793082972068E+03 -0.55225E-04 -0.18075E-03 6104 0.556E-02 0.113E-01
DAV: 23 -0.793082946020E+03 0.26049E-04 -0.13224E-04 6104 0.193E-02 0.854E-02
DAV: 24 -0.793082919876E+03 0.26143E-04 -0.95995E-05 4384 0.118E-02 0.190E-02
DAV: 25 -0.793082930727E+03 -0.10851E-04 -0.16587E-05 3336 0.713E-03 0.253E-02
DAV: 26 -0.793082925785E+03 0.49423E-05 -0.33928E-05 3832 0.983E-03
4 F= -.79308293E+03 E0= -.79306422E+03 d E =0.147890E+02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.798909338724E+03 -0.58264E+01 -0.58551E+03 5376 0.154E+02 0.299E+01
DAV: 2 -0.824687986271E+03 -0.25779E+02 -0.41937E+02 6208 0.324E+01 0.200E+01
DAV: 3 -0.820266606627E+03 0.44214E+01 -0.34155E+01 6672 0.978E+00 0.118E+01
DAV: 4 -0.819041504430E+03 0.12251E+01 -0.70249E+00 6336 0.492E+00 0.894E+00
DAV: 5 -0.818635978125E+03 0.40553E+00 -0.11271E+01 6112 0.430E+00 0.476E+00
DAV: 6 -0.818323698596E+03 0.31228E+00 -0.71916E-01 6480 0.220E+00 0.305E+00
DAV: 7 -0.818660856363E+03 -0.33716E+00 -0.59062E+00 6664 0.229E+00 0.465E+00
DAV: 8 -0.818288155375E+03 0.37270E+00 -0.32777E-01 7432 0.144E+00 0.130E+00
DAV: 9 -0.818305908363E+03 -0.17753E-01 -0.26958E-01 6280 0.659E-01 0.175E+00
DAV: 10 -0.818307992253E+03 -0.20839E-02 -0.48947E-01 7704 0.487E-01 0.196E+00
DAV: 11 -0.818291030464E+03 0.16962E-01 -0.20823E-01 6664 0.232E-01 0.390E-01
DAV: 12 -0.818297115573E+03 -0.60851E-02 -0.60342E-02 7240 0.194E-01 0.103E+00
DAV: 13 -0.818291740459E+03 0.53751E-02 -0.40823E-02 7144 0.130E-01 0.889E-02
DAV: 14 -0.818293224179E+03 -0.14837E-02 -0.20700E-03 6224 0.788E-02 0.347E-01
DAV: 15 -0.818292863098E+03 0.36108E-03 -0.34256E-04 6120 0.351E-02 0.234E-01
DAV: 16 -0.818292643995E+03 0.21910E-03 -0.68419E-04 6640 0.394E-02 0.334E-02
DAV: 17 -0.818292745960E+03 -0.10197E-03 -0.25601E-04 6184 0.236E-02 0.775E-02
DAV: 18 -0.818292737018E+03 0.89418E-05 -0.16440E-05 3624 0.651E-03
5 F= -.81829274E+03 E0= -.81826655E+03 d E =-.104208E+02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.787310826483E+03 0.30982E+02 -0.82525E+03 5440 0.186E+02 0.384E+01
DAV: 2 -0.826017489533E+03 -0.38707E+02 -0.43407E+02 6360 0.364E+01 0.189E+01
DAV: 3 -0.820888042489E+03 0.51294E+01 -0.25288E+01 7048 0.102E+01 0.969E+00
DAV: 4 -0.819792396957E+03 0.10956E+01 -0.87384E+00 6128 0.600E+00 0.696E+00
DAV: 5 -0.819736768621E+03 0.55628E-01 -0.69678E+00 6576 0.307E+00 0.351E+00
DAV: 6 -0.819609308203E+03 0.12746E+00 -0.54063E-01 6200 0.178E+00 0.240E+00
DAV: 7 -0.819569804611E+03 0.39504E-01 -0.74330E-01 7024 0.164E+00 0.339E+00
DAV: 8 -0.819515503436E+03 0.54301E-01 -0.42816E-01 6168 0.693E-01 0.108E+00
DAV: 9 -0.819514943113E+03 0.56032E-03 -0.44604E-02 6584 0.449E-01 0.189E+00
DAV: 10 -0.819500046512E+03 0.14897E-01 -0.25784E-01 6424 0.438E-01 0.176E+00
DAV: 11 -0.819522193759E+03 -0.22147E-01 -0.35564E-01 8064 0.581E-01 0.144E+00
DAV: 12 -0.819504224127E+03 0.17970E-01 -0.16322E-02 6328 0.281E-01 0.123E+00
DAV: 13 -0.819491203467E+03 0.13021E-01 -0.23451E-02 8280 0.332E-01 0.371E-01
DAV: 14 -0.819493259527E+03 -0.20561E-02 -0.10037E-02 5992 0.125E-01 0.254E-01
DAV: 15 -0.819492851056E+03 0.40847E-03 -0.62814E-04 6256 0.578E-02 0.106E-01
DAV: 16 -0.819492800018E+03 0.51038E-04 -0.26375E-04 6424 0.378E-02 0.839E-02
DAV: 17 -0.819492767233E+03 0.32784E-04 -0.42770E-04 6504 0.341E-02 0.261E-02
DAV: 18 -0.819492827923E+03 -0.60690E-04 -0.15711E-04 5928 0.254E-02 0.113E-01
DAV: 19 -0.819492771253E+03 0.56671E-04 -0.11091E-04 4200 0.131E-02 0.398E-02
DAV: 20 -0.819492779437E+03 -0.81845E-05 -0.50449E-05 4656 0.994E-03
6 F= -.81949278E+03 E0= -.81947741E+03 d E =-.120004E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.819685201087E+03 -0.19243E+00 -0.21643E+03 5376 0.938E+01 0.153E+01
DAV: 2 -0.826496193127E+03 -0.68110E+01 -0.10082E+02 6152 0.171E+01 0.894E+00
DAV: 3 -0.824996284241E+03 0.14999E+01 -0.35827E+00 6536 0.475E+00 0.505E+00
DAV: 4 -0.825247857335E+03 -0.25157E+00 -0.88910E+00 6168 0.384E+00 0.545E+00
DAV: 5 -0.824773999264E+03 0.47386E+00 -0.49791E-01 6648 0.167E+00 0.434E+00
DAV: 6 -0.824724557629E+03 0.49442E-01 -0.10130E+00 7320 0.126E+00 0.171E+00
DAV: 7 -0.824727831288E+03 -0.32737E-02 -0.11143E-01 6288 0.807E-01 0.107E+00
DAV: 8 -0.824729447119E+03 -0.16158E-02 -0.23260E-01 6368 0.697E-01 0.160E+00
DAV: 9 -0.824733648609E+03 -0.42015E-02 -0.32785E-01 6688 0.412E-01 0.174E+00
DAV: 10 -0.824717918581E+03 0.15730E-01 -0.22889E-02 6848 0.285E-01 0.282E-01
DAV: 11 -0.824717957669E+03 -0.39088E-04 -0.52438E-03 6328 0.179E-01 0.199E-01
DAV: 12 -0.824716623796E+03 0.13339E-02 -0.24524E-03 6680 0.133E-01 0.230E-01
DAV: 13 -0.824716252905E+03 0.37089E-03 -0.24524E-03 6352 0.108E-01 0.558E-01
DAV: 14 -0.824714084145E+03 0.21688E-02 -0.65037E-03 8720 0.181E-01 0.287E-01
DAV: 15 -0.824714017612E+03 0.66533E-04 -0.38014E-03 6216 0.784E-02 0.213E-01
DAV: 16 -0.824714053358E+03 -0.35746E-04 -0.70361E-04 6152 0.429E-02 0.155E-01
DAV: 17 -0.824713929191E+03 0.12417E-03 -0.11072E-03 7680 0.496E-02 0.501E-02
DAV: 18 -0.824713924812E+03 0.43793E-05 -0.28194E-04 6072 0.299E-02 0.467E-02
DAV: 19 -0.824713922802E+03 0.20099E-05 -0.18765E-05 4256 0.104E-02
7 F= -.82471392E+03 E0= -.82469396E+03 d E =-.642119E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.824525344319E+03 0.18858E+00 -0.23979E+03 5376 0.100E+02 0.159E+01
DAV: 2 -0.830840473513E+03 -0.63151E+01 -0.72745E+01 6168 0.157E+01 0.664E+00
DAV: 3 -0.830148197034E+03 0.69228E+00 -0.19335E+00 6304 0.332E+00 0.378E+00
DAV: 4 -0.829913387226E+03 0.23481E+00 -0.10087E+00 6176 0.252E+00 0.132E+00
DAV: 5 -0.829905099402E+03 0.82878E-02 -0.20117E-01 6512 0.114E+00 0.887E-01
DAV: 6 -0.829903140935E+03 0.19585E-02 -0.64779E-02 6184 0.605E-01 0.444E-01
DAV: 7 -0.829901315129E+03 0.18258E-02 -0.69549E-03 6400 0.260E-01 0.271E-01
DAV: 8 -0.829900218415E+03 0.10967E-02 -0.39249E-03 6312 0.196E-01 0.127E-01
DAV: 9 -0.829899734113E+03 0.48430E-03 -0.11614E-03 7256 0.124E-01 0.635E-02
DAV: 10 -0.829899653504E+03 0.80610E-04 -0.86499E-04 6272 0.742E-02 0.466E-02
DAV: 11 -0.829899570260E+03 0.83244E-04 -0.94936E-05 6576 0.466E-02 0.229E-02
DAV: 12 -0.829899556075E+03 0.14185E-04 -0.10642E-04 6520 0.314E-02 0.137E-02
DAV: 13 -0.829899556520E+03 -0.44522E-06 -0.40684E-05 5472 0.146E-02
8 F= -.82989956E+03 E0= -.82988076E+03 d E =-.518563E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.829943031665E+03 -0.43476E-01 -0.31256E+01 5376 0.114E+01 0.167E+00
DAV: 2 -0.830008635460E+03 -0.65604E-01 -0.80709E-01 6200 0.167E+00 0.726E-01
DAV: 3 -0.830000854915E+03 0.77805E-02 -0.17623E-02 6312 0.328E-01 0.421E-01
DAV: 4 -0.829998327937E+03 0.25270E-02 -0.15246E-02 6200 0.299E-01 0.134E-01
DAV: 5 -0.829998341784E+03 -0.13847E-04 -0.30816E-03 6376 0.135E-01 0.106E-01
DAV: 6 -0.829998319737E+03 0.22047E-04 -0.89150E-04 6152 0.697E-02 0.558E-02
DAV: 7 -0.829998277569E+03 0.42168E-04 -0.10769E-04 6352 0.317E-02 0.376E-02
DAV: 8 -0.829998214430E+03 0.63138E-04 -0.80026E-05 6216 0.352E-02 0.254E-02
DAV: 9 -0.829998219555E+03 -0.51245E-05 -0.50705E-05 5824 0.128E-02
9 F= -.82999822E+03 E0= -.82998212E+03 d E =-.528430E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.829083818085E+03 0.91440E+00 -0.13933E+03 5376 0.763E+01 0.107E+01
DAV: 2 -0.832606902842E+03 -0.35231E+01 -0.41254E+01 6232 0.116E+01 0.531E+00
DAV: 3 -0.832235677274E+03 0.37123E+00 -0.12085E+00 6312 0.255E+00 0.310E+00
DAV: 4 -0.832129559212E+03 0.10612E+00 -0.49545E-01 6200 0.175E+00 0.145E+00
DAV: 5 -0.832116767099E+03 0.12792E-01 -0.15463E-01 6568 0.878E-01 0.730E-01
DAV: 6 -0.832116450613E+03 0.31649E-03 -0.36836E-02 6240 0.477E-01 0.357E-01
DAV: 7 -0.832117202172E+03 -0.75156E-03 -0.67024E-03 6088 0.180E-01 0.201E-01
DAV: 8 -0.832116976223E+03 0.22595E-03 -0.95321E-04 6400 0.103E-01 0.939E-02
DAV: 9 -0.832116872674E+03 0.10355E-03 -0.59338E-04 6720 0.728E-02 0.338E-02
DAV: 10 -0.832116849098E+03 0.23576E-04 -0.15724E-04 6240 0.365E-02 0.204E-02
DAV: 11 -0.832116832767E+03 0.16331E-04 -0.35930E-05 5248 0.209E-02 0.119E-02
DAV: 12 -0.832116819150E+03 0.13617E-04 -0.13297E-05 4200 0.231E-02 0.813E-03
DAV: 13 -0.832116818334E+03 0.81631E-06 -0.27715E-05 4592 0.138E-02
10 F= -.83211682E+03 E0= -.83209829E+03 d E =-.211860E+01