N E dE d eps ncg rms rms(c) DAV: 1 0.198229820824E+04 0.19823E+04 -0.16379E+05 3792 0.118E+03 DAV: 2 -0.499740286378E+03 -0.24820E+04 -0.24037E+04 4626 0.295E+02 DAV: 3 -0.700459066549E+03 -0.20072E+03 -0.19931E+03 4461 0.906E+01 DAV: 4 -0.704833089918E+03 -0.43740E+01 -0.43560E+01 4551 0.139E+01 DAV: 5 -0.704964255608E+03 -0.13117E+00 -0.13097E+00 4524 0.220E+00 0.644E+01 DAV: 6 -0.625139973532E+03 0.79824E+02 -0.32220E+02 4308 0.332E+01 0.309E+01 DAV: 7 -0.623496389158E+03 0.16436E+01 -0.14521E+01 4686 0.848E+00 0.137E+01 DAV: 8 -0.623149022360E+03 0.34737E+00 -0.23704E+00 4659 0.437E+00 0.662E+00 DAV: 9 -0.622839539849E+03 0.30948E+00 -0.65472E-01 4389 0.234E+00 0.261E+00 DAV: 10 -0.622871365059E+03 -0.31825E-01 -0.25354E-01 4353 0.128E+00 0.135E+00 DAV: 11 -0.622868063099E+03 0.33020E-02 -0.40890E-02 4632 0.723E-01 0.982E-01 DAV: 12 -0.622871643446E+03 -0.35803E-02 -0.31031E-02 4875 0.586E-01 0.837E-01 DAV: 13 -0.622864286153E+03 0.73573E-02 -0.10647E-02 4569 0.324E-01 0.180E-01 DAV: 14 -0.622865207328E+03 -0.92118E-03 -0.34546E-03 4290 0.153E-01 0.970E-02 DAV: 15 -0.622865644119E+03 -0.43679E-03 -0.12076E-03 4497 0.849E-02 0.103E-01 DAV: 16 -0.622865533956E+03 0.11016E-03 -0.25029E-04 5181 0.539E-02 0.392E-02 DAV: 17 -0.622865547119E+03 -0.13163E-04 -0.12913E-04 4227 0.304E-02 0.223E-02 DAV: 18 -0.622865542222E+03 0.48978E-05 -0.16788E-05 2985 0.125E-02 1 F= -.62286554E+03 E0= -.62284711E+03 d E =-.622866E+03 N E dE d eps ncg rms rms(c) DAV: 1 -0.621828840749E+03 0.10367E+01 -0.69121E+02 3792 0.544E+01 0.130E+01 DAV: 2 -0.624446945553E+03 -0.26181E+01 -0.33613E+01 4452 0.112E+01 0.706E+00 DAV: 3 -0.624103224757E+03 0.34372E+00 -0.11925E+00 4461 0.315E+00 0.531E+00 DAV: 4 -0.623929792004E+03 0.17343E+00 -0.38596E-01 4425 0.158E+00 0.417E+00 DAV: 5 -0.623792862006E+03 0.13693E+00 -0.32945E-01 4425 0.143E+00 0.172E+00 DAV: 6 -0.623773822388E+03 0.19040E-01 -0.10317E-01 4767 0.106E+00 0.649E-01 DAV: 7 -0.623774541614E+03 -0.71923E-03 -0.51476E-02 4434 0.606E-01 0.372E-01 DAV: 8 -0.623773105420E+03 0.14362E-02 -0.64004E-03 4623 0.220E-01 0.222E-01 DAV: 9 -0.623772647675E+03 0.45775E-03 -0.46446E-03 4452 0.173E-01 0.118E-01 DAV: 10 -0.623772314601E+03 0.33307E-03 -0.94031E-04 5388 0.127E-01 0.611E-02 DAV: 11 -0.623772341300E+03 -0.26699E-04 -0.83831E-04 4488 0.700E-02 0.346E-02 DAV: 12 -0.623772329099E+03 0.12201E-04 -0.55226E-05 4470 0.209E-02 0.188E-02 DAV: 13 -0.623772322767E+03 0.63315E-05 -0.43340E-05 4119 0.218E-02 2 F= -.62377232E+03 E0= -.62375208E+03 d E =-.906781E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.624706578462E+03 -0.93425E+00 -0.13235E+02 3792 0.250E+01 0.399E+00 DAV: 2 -0.625019395002E+03 -0.31282E+00 -0.42074E+00 4479 0.430E+00 0.256E+00 DAV: 3 -0.624969461419E+03 0.49934E-01 -0.19074E-01 4443 0.128E+00 0.204E+00 DAV: 4 -0.624896025872E+03 0.73436E-01 -0.71501E-02 4425 0.799E-01 0.101E+00 DAV: 5 -0.624882565656E+03 0.13460E-01 -0.62964E-02 4533 0.668E-01 0.394E-01 DAV: 6 -0.624881544759E+03 0.10209E-02 -0.18063E-02 4578 0.351E-01 0.262E-01 DAV: 7 -0.624881184027E+03 0.36073E-03 -0.49669E-03 4398 0.181E-01 0.156E-01 DAV: 8 -0.624880867804E+03 0.31622E-03 -0.69076E-04 5226 0.836E-02 0.750E-02 DAV: 9 -0.624880784959E+03 0.82845E-04 -0.39430E-04 4551 0.626E-02 0.270E-02 DAV: 10 -0.624880774719E+03 0.10240E-04 -0.95048E-05 4659 0.329E-02 0.186E-02 DAV: 11 -0.624880773579E+03 0.11402E-05 -0.56582E-05 4344 0.219E-02 3 F= -.62488077E+03 E0= -.62486049E+03 d E =-.201523E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.623840867405E+03 0.10399E+01 -0.54440E+02 3792 0.537E+01 0.838E+00 DAV: 2 -0.625536411410E+03 -0.16955E+01 -0.19808E+01 4461 0.894E+00 0.448E+00 DAV: 3 -0.625304986556E+03 0.23142E+00 -0.53132E-01 4479 0.257E+00 0.283E+00 DAV: 4 -0.625123814124E+03 0.18117E+00 -0.40956E-01 4281 0.153E+00 0.159E+00 DAV: 5 -0.625120414435E+03 0.33997E-02 -0.11809E-01 4497 0.123E+00 0.165E+00 DAV: 6 -0.625091794364E+03 0.28620E-01 -0.64059E-02 4632 0.948E-01 0.821E-01 DAV: 7 -0.625079834794E+03 0.11960E-01 -0.19890E-02 4596 0.504E-01 0.356E-01 DAV: 8 -0.625078921378E+03 0.91342E-03 -0.42126E-03 4326 0.163E-01 0.191E-01 DAV: 9 -0.625079199951E+03 -0.27857E-03 -0.12208E-03 4965 0.160E-01 0.223E-01 DAV: 10 -0.625078395735E+03 0.80422E-03 -0.64109E-04 4461 0.827E-02 0.336E-02 DAV: 11 -0.625078407583E+03 -0.11848E-04 -0.25755E-04 4506 0.453E-02 0.309E-02 DAV: 12 -0.625078421720E+03 -0.14137E-04 -0.52973E-05 4146 0.163E-02 0.344E-02 DAV: 13 -0.625078404171E+03 0.17549E-04 -0.10782E-05 2859 0.148E-02 0.118E-02 DAV: 14 -0.625078405180E+03 -0.10093E-05 -0.28351E-05 3687 0.151E-02 4 F= -.62507841E+03 E0= -.62505663E+03 d E =-.197632E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.625376232337E+03 -0.29783E+00 -0.11310E+02 3792 0.247E+01 0.407E+00 DAV: 2 -0.625768779693E+03 -0.39255E+00 -0.36095E+00 4452 0.410E+00 0.217E+00 DAV: 3 -0.625590791851E+03 0.17799E+00 -0.15835E-01 4443 0.130E+00 0.120E+00 DAV: 4 -0.625569608992E+03 0.21183E-01 -0.95054E-02 4416 0.750E-01 0.573E-01 DAV: 5 -0.625564822807E+03 0.47862E-02 -0.17506E-02 4488 0.382E-01 0.233E-01 DAV: 6 -0.625564847496E+03 -0.24689E-04 -0.75271E-03 4857 0.242E-01 0.130E-01 DAV: 7 -0.625564813798E+03 0.33698E-04 -0.11123E-03 4371 0.800E-02 0.976E-02 DAV: 8 -0.625564795691E+03 0.18108E-04 -0.36533E-04 4470 0.470E-02 0.622E-02 DAV: 9 -0.625564762109E+03 0.33581E-04 -0.12500E-04 4776 0.516E-02 0.516E-02 DAV: 10 -0.625564720367E+03 0.41742E-04 -0.73765E-05 4443 0.234E-02 0.113E-02 DAV: 11 -0.625564720545E+03 -0.17752E-06 -0.16646E-05 2976 0.154E-02 5 F= -.62556472E+03 E0= -.62554271E+03 d E =-.683947E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.625483476575E+03 0.81244E-01 -0.23171E+02 3792 0.344E+01 0.453E+00 DAV: 2 -0.626171063491E+03 -0.68759E+00 -0.77476E+00 4452 0.555E+00 0.335E+00 DAV: 3 -0.626033281471E+03 0.13778E+00 -0.24994E-01 4488 0.168E+00 0.212E+00 DAV: 4 -0.625943313561E+03 0.89968E-01 -0.15353E-01 4344 0.977E-01 0.116E+00 DAV: 5 -0.625924131835E+03 0.19182E-01 -0.66823E-02 4470 0.802E-01 0.733E-01 DAV: 6 -0.625919000140E+03 0.51317E-02 -0.26936E-02 4578 0.521E-01 0.353E-01 DAV: 7 -0.625918269707E+03 0.73043E-03 -0.87962E-03 4497 0.286E-01 0.241E-01 DAV: 8 -0.625917587853E+03 0.68185E-03 -0.13789E-03 4389 0.997E-02 0.113E-01 DAV: 9 -0.625917539315E+03 0.48538E-04 -0.60558E-04 4713 0.933E-02 0.907E-02 DAV: 10 -0.625917409908E+03 0.12941E-03 -0.21040E-04 4488 0.487E-02 0.245E-02 DAV: 11 -0.625917414427E+03 -0.45195E-05 -0.15495E-04 4470 0.348E-02 0.199E-02 DAV: 12 -0.625917413706E+03 0.72135E-06 -0.16873E-05 2706 0.113E-02 6 F= -.62591741E+03 E0= -.62589641E+03 d E =-.352693E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.625967929475E+03 -0.50515E-01 -0.20315E+01 3792 0.102E+01 0.146E+00 DAV: 2 -0.626054401442E+03 -0.86472E-01 -0.61392E-01 4479 0.172E+00 0.133E+00 DAV: 3 -0.626002646318E+03 0.51755E-01 -0.33828E-02 4443 0.622E-01 0.558E-01 DAV: 4 -0.625997948883E+03 0.46974E-02 -0.17676E-02 4416 0.333E-01 0.291E-01 DAV: 5 -0.625996557701E+03 0.13912E-02 -0.50159E-03 4461 0.203E-01 0.108E-01 DAV: 6 -0.625996538245E+03 0.19456E-04 -0.17593E-03 4884 0.127E-01 0.613E-02 DAV: 7 -0.625996545869E+03 -0.76241E-05 -0.29968E-04 4425 0.422E-02 0.501E-02 DAV: 8 -0.625996527511E+03 0.18358E-04 -0.56852E-05 4344 0.187E-02 0.272E-02 DAV: 9 -0.625996518026E+03 0.94851E-05 -0.21946E-05 3291 0.178E-02 7 F= -.62599652E+03 E0= -.62597497E+03 d E =-.431797E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.626129324418E+03 -0.13280E+00 -0.16938E+02 3792 0.285E+01 0.345E+00 DAV: 2 -0.626654603537E+03 -0.52528E+00 -0.55633E+00 4434 0.448E+00 0.289E+00 DAV: 3 -0.626554226646E+03 0.10038E+00 -0.16553E-01 4470 0.128E+00 0.173E+00 DAV: 4 -0.626496627419E+03 0.57599E-01 -0.79735E-02 4317 0.669E-01 0.954E-01 DAV: 5 -0.626480413592E+03 0.16214E-01 -0.52715E-02 4443 0.655E-01 0.565E-01 DAV: 6 -0.626476306013E+03 0.41076E-02 -0.16727E-02 4497 0.380E-01 0.209E-01 DAV: 7 -0.626476217345E+03 0.88669E-04 -0.59085E-03 4407 0.201E-01 0.138E-01 DAV: 8 -0.626476124042E+03 0.93303E-04 -0.97626E-04 4407 0.832E-02 0.106E-01 DAV: 9 -0.626475922829E+03 0.20121E-03 -0.44701E-04 4722 0.809E-02 0.440E-02 DAV: 10 -0.626475887705E+03 0.35124E-04 -0.15987E-04 4938 0.436E-02 0.229E-02 DAV: 11 -0.626475892697E+03 -0.49923E-05 -0.14975E-04 4326 0.308E-02 0.180E-02 DAV: 12 -0.626475888468E+03 0.42289E-05 -0.22713E-05 3102 0.147E-02 8 F= -.62647589E+03 E0= -.62645560E+03 d E =-.479370E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.626480146991E+03 -0.42543E-02 -0.46120E+00 3804 0.481E+00 0.587E-01 DAV: 2 -0.626495257204E+03 -0.15110E-01 -0.12523E-01 4407 0.741E-01 0.664E-01 DAV: 3 -0.626488665798E+03 0.65914E-02 -0.53454E-03 4425 0.238E-01 0.290E-01 DAV: 4 -0.626487138387E+03 0.15274E-02 -0.22565E-03 4362 0.116E-01 0.140E-01 DAV: 5 -0.626486692387E+03 0.44600E-03 -0.15836E-03 4470 0.108E-01 0.450E-02 DAV: 6 -0.626486701323E+03 -0.89363E-05 -0.46096E-04 4605 0.545E-02 0.327E-02 DAV: 7 -0.626486697526E+03 0.37968E-05 -0.50253E-05 4299 0.167E-02 9 F= -.62648670E+03 E0= -.62646662E+03 d E =-.490179E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.626329509132E+03 0.15719E+00 -0.13658E+02 3792 0.270E+01 0.324E+00 DAV: 2 -0.626634786532E+03 -0.30528E+00 -0.39388E+00 4389 0.410E+00 0.174E+00 DAV: 3 -0.626594657811E+03 0.40129E-01 -0.89291E-02 4488 0.890E-01 0.118E+00 DAV: 4 -0.626578001201E+03 0.16657E-01 -0.63125E-02 4317 0.614E-01 0.725E-01 DAV: 5 -0.626569224976E+03 0.87762E-02 -0.19666E-02 4443 0.441E-01 0.282E-01 DAV: 6 -0.626568560308E+03 0.66467E-03 -0.91404E-03 4974 0.302E-01 0.144E-01 DAV: 7 -0.626568619199E+03 -0.58891E-04 -0.19148E-03 4335 0.971E-02 0.940E-02 DAV: 8 -0.626568574333E+03 0.44866E-04 -0.33667E-04 4461 0.484E-02 0.550E-02 DAV: 9 -0.626568554360E+03 0.19973E-04 -0.10415E-04 4479 0.312E-02 0.249E-02 DAV: 10 -0.626568550524E+03 0.38361E-05 -0.69935E-05 4533 0.243E-02 10 F= -.62656855E+03 E0= -.62655282E+03 d E =-.818530E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.626616019110E+03 -0.47465E-01 -0.22116E+01 3792 0.110E+01 0.141E+00 DAV: 2 -0.626690654681E+03 -0.74636E-01 -0.67154E-01 4326 0.179E+00 0.941E-01 DAV: 3 -0.626658816459E+03 0.31838E-01 -0.27656E-02 4407 0.502E-01 0.593E-01 DAV: 4 -0.626655920595E+03 0.28959E-02 -0.23156E-02 4452 0.463E-01 0.478E-01 DAV: 5 -0.626654946341E+03 0.97425E-03 -0.73484E-03 4614 0.301E-01 0.334E-01 DAV: 6 -0.626652500262E+03 0.24461E-02 -0.23261E-03 4461 0.188E-01 0.129E-01 DAV: 7 -0.626652327394E+03 0.17287E-03 -0.10746E-03 4389 0.827E-02 0.503E-02 DAV: 8 -0.626652342799E+03 -0.15406E-04 -0.13348E-04 4488 0.297E-02 0.434E-02 DAV: 9 -0.626652335502E+03 0.72978E-05 -0.62155E-05 4110 0.266E-02 11 F= -.62665234E+03 E0= -.62663502E+03 d E =-.165638E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.626718688468E+03 -0.66346E-01 -0.61352E+01 3792 0.182E+01 0.246E+00 DAV: 2 -0.626833177337E+03 -0.11449E+00 -0.16341E+00 4416 0.275E+00 0.114E+00 DAV: 3 -0.626821468269E+03 0.11709E-01 -0.59731E-02 4461 0.693E-01 0.803E-01 DAV: 4 -0.626805938493E+03 0.15530E-01 -0.20252E-02 4371 0.376E-01 0.447E-01 DAV: 5 -0.626803322786E+03 0.26157E-02 -0.15240E-02 4452 0.343E-01 0.262E-01 DAV: 6 -0.626802569057E+03 0.75373E-03 -0.45071E-03 4551 0.201E-01 0.137E-01 DAV: 7 -0.626802409898E+03 0.15916E-03 -0.11679E-03 4533 0.106E-01 0.705E-02 DAV: 8 -0.626802390175E+03 0.19723E-04 -0.26984E-04 4416 0.399E-02 0.492E-02 DAV: 9 -0.626802362999E+03 0.27177E-04 -0.10369E-04 4479 0.380E-02 0.287E-02 DAV: 10 -0.626802349271E+03 0.13727E-04 -0.49876E-05 4443 0.207E-02 0.102E-02 DAV: 11 -0.626802348791E+03 0.48082E-06 -0.99416E-06 2427 0.107E-02 12 F= -.62680235E+03 E0= -.62678712E+03 d E =-.150013E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.626805471507E+03 -0.31222E-02 -0.13619E+00 3792 0.269E+00 0.379E-01 DAV: 2 -0.626808961103E+03 -0.34896E-02 -0.35714E-02 4425 0.426E-01 0.257E-01 DAV: 3 -0.626807568207E+03 0.13929E-02 -0.20634E-03 4416 0.133E-01 0.135E-01 DAV: 4 -0.626807215907E+03 0.35230E-03 -0.60967E-04 4398 0.637E-02 0.694E-02 DAV: 5 -0.626807130845E+03 0.85062E-04 -0.44490E-04 4470 0.540E-02 0.222E-02 DAV: 6 -0.626807134289E+03 -0.34437E-05 -0.10705E-04 4434 0.277E-02 0.180E-02 DAV: 7 -0.626807134447E+03 -0.15844E-06 -0.15451E-05 2751 0.102E-02 13 F= -.62680713E+03 E0= -.62679146E+03 d E =-.154799E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.626891920322E+03 -0.84786E-01 -0.26048E+01 3792 0.120E+01 0.125E+00 DAV: 2 -0.626931758474E+03 -0.39838E-01 -0.58661E-01 4479 0.168E+00 0.647E-01 DAV: 3 -0.626926176014E+03 0.55825E-02 -0.18192E-02 4560 0.382E-01 0.392E-01 DAV: 4 -0.626924843704E+03 0.13323E-02 -0.89421E-03 4407 0.280E-01 0.218E-01 DAV: 5 -0.626923905091E+03 0.93861E-03 -0.35374E-03 4452 0.164E-01 0.110E-01 DAV: 6 -0.626923810692E+03 0.94398E-04 -0.11095E-03 4479 0.962E-02 0.725E-02 DAV: 7 -0.626923811095E+03 -0.40300E-06 -0.43269E-04 4506 0.550E-02 0.371E-02 DAV: 8 -0.626923796908E+03 0.14187E-04 -0.34510E-05 3966 0.235E-02 0.216E-02 DAV: 9 -0.626923791855E+03 0.50535E-05 -0.44728E-05 4371 0.206E-02 14 F= -.62692379E+03 E0= -.62691116E+03 d E =-.116657E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.626928384010E+03 -0.45871E-02 -0.46331E+00 3792 0.507E+00 0.528E-01 DAV: 2 -0.626935821356E+03 -0.74373E-02 -0.10487E-01 4479 0.711E-01 0.271E-01 DAV: 3 -0.626934886392E+03 0.93496E-03 -0.30532E-03 4488 0.153E-01 0.167E-01 DAV: 4 -0.626934490014E+03 0.39638E-03 -0.26763E-03 4416 0.144E-01 0.623E-02 DAV: 5 -0.626934469063E+03 0.20952E-04 -0.49973E-04 4614 0.635E-02 0.457E-02 DAV: 6 -0.626934461226E+03 0.78370E-05 -0.22488E-04 4452 0.419E-02 0.213E-02 DAV: 7 -0.626934459740E+03 0.14859E-05 -0.26782E-05 3012 0.136E-02 15 F= -.62693446E+03 E0= -.62692320E+03 d E =-.127325E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.626996605955E+03 -0.62145E-01 -0.11583E+01 3792 0.796E+00 0.758E-01 DAV: 2 -0.627019144902E+03 -0.22539E-01 -0.26322E-01 4443 0.108E+00 0.396E-01 DAV: 3 -0.627016719146E+03 0.24258E-02 -0.48090E-03 4488 0.213E-01 0.248E-01 DAV: 4 -0.627014749487E+03 0.19697E-02 -0.61299E-03 4443 0.290E-01 0.851E-02 DAV: 5 -0.627014606017E+03 0.14347E-03 -0.29032E-03 4542 0.145E-01 0.850E-02 DAV: 6 -0.627014415325E+03 0.19069E-03 -0.63214E-04 4470 0.682E-02 0.483E-02 DAV: 7 -0.627014255058E+03 0.16027E-03 -0.14223E-04 4731 0.631E-02 0.264E-02 DAV: 8 -0.627014201972E+03 0.53086E-04 -0.23699E-04 4785 0.684E-02 0.119E-02 DAV: 9 -0.627014213159E+03 -0.11187E-04 -0.12765E-04 4254 0.244E-02 0.223E-02 DAV: 10 -0.627014211258E+03 0.19001E-05 -0.37693E-06 2400 0.479E-03 16 F= -.62701421E+03 E0= -.62699610E+03 d E =-.797515E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.627028568630E+03 -0.14355E-01 -0.42529E+00 3792 0.482E+00 0.460E-01 DAV: 2 -0.627036752248E+03 -0.81836E-02 -0.96206E-02 4434 0.656E-01 0.239E-01 DAV: 3 -0.627035993324E+03 0.75892E-03 -0.18002E-03 4497 0.127E-01 0.146E-01 DAV: 4 -0.627035692989E+03 0.30033E-03 -0.19729E-03 4452 0.142E-01 0.452E-02 DAV: 5 -0.627035712450E+03 -0.19460E-04 -0.56320E-04 4425 0.605E-02 0.431E-02 DAV: 6 -0.627035702994E+03 0.94561E-05 -0.13502E-04 4353 0.286E-02 0.227E-02 DAV: 7 -0.627035699830E+03 0.31641E-05 -0.94412E-06 2787 0.976E-03 17 F= -.62703570E+03 E0= -.62701720E+03 d E =-.101240E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.626995989792E+03 0.39713E-01 -0.17011E+01 3792 0.964E+00 0.917E-01 DAV: 2 -0.627028907751E+03 -0.32918E-01 -0.38444E-01 4416 0.131E+00 0.477E-01 DAV: 3 -0.627025931159E+03 0.29766E-02 -0.71971E-03 4506 0.252E-01 0.291E-01 DAV: 4 -0.627024766452E+03 0.11647E-02 -0.76222E-03 4452 0.277E-01 0.873E-02 DAV: 5 -0.627024852257E+03 -0.85805E-04 -0.21852E-03 4425 0.119E-01 0.834E-02 DAV: 6 -0.627024820587E+03 0.31670E-04 -0.49972E-04 4425 0.549E-02 0.441E-02 DAV: 7 -0.627024809599E+03 0.10988E-04 -0.35237E-05 3579 0.186E-02 0.247E-02 DAV: 8 -0.627024802193E+03 0.74060E-05 -0.28912E-05 3588 0.193E-02 18 F= -.62702480E+03 E0= -.62700629E+03 d E =-.903425E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.627027773630E+03 -0.29640E-02 -0.72824E+00 3792 0.631E+00 0.606E-01 DAV: 2 -0.627041892582E+03 -0.14119E-01 -0.16489E-01 4407 0.860E-01 0.314E-01 DAV: 3 -0.627040634997E+03 0.12576E-02 -0.31384E-03 4506 0.166E-01 0.192E-01 DAV: 4 -0.627040155252E+03 0.47974E-03 -0.34145E-03 4452 0.181E-01 0.606E-02 DAV: 5 -0.627040180336E+03 -0.25084E-04 -0.90653E-04 4443 0.776E-02 0.553E-02 DAV: 6 -0.627040166398E+03 0.13938E-04 -0.24836E-04 4425 0.389E-02 0.279E-02 DAV: 7 -0.627040162275E+03 0.41232E-05 -0.16046E-05 3084 0.127E-02 19 F= -.62704016E+03 E0= -.62702164E+03 d E =-.105703E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.627089050589E+03 -0.48884E-01 -0.89614E+00 3792 0.704E+00 0.831E-01 DAV: 2 -0.627107908701E+03 -0.18858E-01 -0.22648E-01 4380 0.103E+00 0.382E-01 DAV: 3 -0.627105572278E+03 0.23364E-02 -0.48144E-03 4614 0.204E-01 0.229E-01 DAV: 4 -0.627104501398E+03 0.10709E-02 -0.51236E-03 4416 0.214E-01 0.769E-02 DAV: 5 -0.627104483753E+03 0.17645E-04 -0.13818E-03 4497 0.102E-01 0.662E-02 DAV: 6 -0.627104454715E+03 0.29038E-04 -0.44705E-04 4416 0.582E-02 0.338E-02 DAV: 7 -0.627104440386E+03 0.14329E-04 -0.41066E-05 3804 0.235E-02 0.235E-02 DAV: 8 -0.627104429354E+03 0.11032E-04 -0.36556E-05 3948 0.226E-02 0.949E-03 DAV: 9 -0.627104428612E+03 0.74202E-06 -0.11699E-05 2688 0.102E-02 20 F= -.62710443E+03 E0= -.62708591E+03 d E =-.642663E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.627109046226E+03 -0.46169E-02 -0.40895E+00 3792 0.476E+00 0.562E-01 DAV: 2 -0.627117672855E+03 -0.86266E-02 -0.10368E-01 4398 0.693E-01 0.258E-01 DAV: 3 -0.627116598849E+03 0.10740E-02 -0.21837E-03 4596 0.138E-01 0.155E-01 DAV: 4 -0.627116109788E+03 0.48906E-03 -0.23857E-03 4416 0.146E-01 0.523E-02 DAV: 5 -0.627116101975E+03 0.78133E-05 -0.64123E-04 4524 0.694E-02 0.454E-02 DAV: 6 -0.627116088094E+03 0.13881E-04 -0.20917E-04 4434 0.398E-02 0.230E-02 DAV: 7 -0.627116081366E+03 0.67283E-05 -0.17578E-05 3210 0.160E-02 21 F= -.62711608E+03 E0= -.62709758E+03 d E =-.759191E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.627148078463E+03 -0.31990E-01 -0.97450E+00 3792 0.726E+00 0.745E-01 DAV: 2 -0.627168120638E+03 -0.20042E-01 -0.23062E-01 4353 0.100E+00 0.348E-01 DAV: 3 -0.627166390335E+03 0.17303E-02 -0.39262E-03 4515 0.169E-01 0.215E-01 DAV: 4 -0.627165667703E+03 0.72263E-03 -0.43024E-03 4416 0.186E-01 0.637E-02 DAV: 5 -0.627165690458E+03 -0.22755E-04 -0.99158E-04 4443 0.821E-02 0.554E-02 DAV: 6 -0.627165681827E+03 0.86302E-05 -0.29919E-04 4389 0.461E-02 0.263E-02 DAV: 7 -0.627165676970E+03 0.48577E-05 -0.31724E-05 3453 0.166E-02 22 F= -.62716568E+03 E0= -.62714716E+03 d E =-.495956E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.627166606220E+03 -0.92439E-03 -0.80575E+00 3792 0.661E+00 0.680E-01 DAV: 2 -0.627183266369E+03 -0.16660E-01 -0.19169E-01 4362 0.914E-01 0.317E-01 DAV: 3 -0.627181812591E+03 0.14538E-02 -0.32285E-03 4515 0.153E-01 0.196E-01 DAV: 4 -0.627181202534E+03 0.61006E-03 -0.35733E-03 4416 0.170E-01 0.579E-02 DAV: 5 -0.627181221519E+03 -0.18985E-04 -0.83690E-04 4425 0.755E-02 0.504E-02 DAV: 6 -0.627181214197E+03 0.73217E-05 -0.24552E-04 4416 0.418E-02 0.242E-02 DAV: 7 -0.627181209641E+03 0.45557E-05 -0.25101E-05 3255 0.153E-02 23 F= -.62718121E+03 E0= -.62716268E+03 d E =-.651283E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.627208302767E+03 -0.27089E-01 -0.11103E+01 3792 0.773E+00 0.749E-01 DAV: 2 -0.627231311586E+03 -0.23009E-01 -0.26204E-01 4308 0.106E+00 0.371E-01 DAV: 3 -0.627229376121E+03 0.19355E-02 -0.43073E-03 4515 0.195E-01 0.231E-01 DAV: 4 -0.627228582972E+03 0.79315E-03 -0.58163E-03 4443 0.226E-01 0.775E-02 DAV: 5 -0.627228595083E+03 -0.12112E-04 -0.13384E-03 4335 0.951E-02 0.682E-02 DAV: 6 -0.627228574203E+03 0.20880E-04 -0.43123E-04 4398 0.536E-02 0.286E-02 DAV: 7 -0.627228573435E+03 0.76828E-06 -0.42935E-05 3561 0.161E-02 24 F= -.62722857E+03 E0= -.62721004E+03 d E =-.473638E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.627226844095E+03 0.17301E-02 -0.98407E+00 3792 0.727E+00 0.707E-01 DAV: 2 -0.627247176181E+03 -0.20332E-01 -0.23143E-01 4317 0.994E-01 0.348E-01 DAV: 3 -0.627245451971E+03 0.17242E-02 -0.37890E-03 4506 0.183E-01 0.217E-01 DAV: 4 -0.627244747737E+03 0.70423E-03 -0.51537E-03 4443 0.214E-01 0.729E-02 DAV: 5 -0.627244759436E+03 -0.11699E-04 -0.12053E-03 4353 0.901E-02 0.645E-02 DAV: 6 -0.627244739824E+03 0.19612E-04 -0.37618E-04 4407 0.500E-02 0.274E-02 DAV: 7 -0.627244738796E+03 0.10276E-05 -0.35955E-05 3399 0.153E-02 25 F= -.62724474E+03 E0= -.62722621E+03 d E =-.635292E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.627261656767E+03 -0.16917E-01 -0.13605E+01 3792 0.855E+00 0.795E-01 DAV: 2 -0.627289036488E+03 -0.27380E-01 -0.31110E-01 4371 0.116E+00 0.384E-01 DAV: 3 -0.627287011833E+03 0.20247E-02 -0.52028E-03 4497 0.197E-01 0.240E-01 DAV: 4 -0.627286093363E+03 0.91847E-03 -0.48068E-03 4416 0.209E-01 0.682E-02 DAV: 5 -0.627286150308E+03 -0.56945E-04 -0.12773E-03 4425 0.909E-02 0.617E-02 DAV: 6 -0.627286140416E+03 0.98927E-05 -0.31290E-04 4407 0.446E-02 0.314E-02 DAV: 7 -0.627286134468E+03 0.59474E-05 -0.24210E-05 3372 0.155E-02 26 F= -.62728613E+03 E0= -.62726761E+03 d E =-.413957E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.627283810266E+03 0.23301E-02 -0.65724E+00 3792 0.594E+00 0.554E-01 DAV: 2 -0.627297013305E+03 -0.13203E-01 -0.15030E-01 4362 0.805E-01 0.266E-01 DAV: 3 -0.627296031060E+03 0.98225E-03 -0.25253E-03 4470 0.138E-01 0.166E-01 DAV: 4 -0.627295579949E+03 0.45111E-03 -0.22726E-03 4425 0.145E-01 0.468E-02 DAV: 5 -0.627295609389E+03 -0.29440E-04 -0.62729E-04 4416 0.637E-02 0.429E-02 DAV: 6 -0.627295603987E+03 0.54022E-05 -0.14508E-04 4353 0.305E-02 0.224E-02 DAV: 7 -0.627295600581E+03 0.34056E-05 -0.10953E-05 2769 0.109E-02 27 F= -.62729560E+03 E0= -.62727708E+03 d E =-.508618E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.627311515657E+03 -0.15912E-01 -0.13302E+01 3792 0.844E+00 0.737E-01 DAV: 2 -0.627338372313E+03 -0.26857E-01 -0.30052E-01 4281 0.113E+00 0.375E-01 DAV: 3 -0.627336714369E+03 0.16579E-02 -0.50213E-03 4542 0.185E-01 0.236E-01 DAV: 4 -0.627335942122E+03 0.77225E-03 -0.41513E-03 4434 0.186E-01 0.686E-02 DAV: 5 -0.627335988417E+03 -0.46295E-04 -0.98299E-04 4389 0.794E-02 0.549E-02 DAV: 6 -0.627335992109E+03 -0.36917E-05 -0.34555E-04 4407 0.480E-02 0.275E-02 DAV: 7 -0.627335986396E+03 0.57126E-05 -0.35699E-05 3471 0.174E-02 28 F= -.62733599E+03 E0= -.62731745E+03 d E =-.403858E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.627317836028E+03 0.18156E-01 -0.20962E+01 3792 0.106E+01 0.930E-01 DAV: 2 -0.627360482940E+03 -0.42647E-01 -0.47735E-01 4272 0.143E+00 0.471E-01 DAV: 3 -0.627357871740E+03 0.26112E-02 -0.80842E-03 4524 0.235E-01 0.297E-01 DAV: 4 -0.627356662648E+03 0.12091E-02 -0.66308E-03 4434 0.235E-01 0.882E-02 DAV: 5 -0.627356730173E+03 -0.67525E-04 -0.15508E-03 4407 0.100E-01 0.700E-02 DAV: 6 -0.627356735071E+03 -0.48978E-05 -0.57064E-04 4407 0.616E-02 0.346E-02 DAV: 7 -0.627356726224E+03 0.88476E-05 -0.61789E-05 4146 0.222E-02 29 F= -.62735673E+03 E0= -.62733819E+03 d E =-.611256E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.627368618625E+03 -0.11884E-01 -0.15392E+01 3792 0.915E+00 0.843E-01 DAV: 2 -0.627399626540E+03 -0.31008E-01 -0.34958E-01 4299 0.124E+00 0.406E-01 DAV: 3 -0.627397702995E+03 0.19235E-02 -0.59172E-03 4524 0.198E-01 0.256E-01 DAV: 4 -0.627396855635E+03 0.84736E-03 -0.51785E-03 4416 0.213E-01 0.769E-02 DAV: 5 -0.627396912003E+03 -0.56368E-04 -0.12472E-03 4416 0.901E-02 0.644E-02 DAV: 6 -0.627396905582E+03 0.64216E-05 -0.41279E-04 4398 0.532E-02 0.307E-02 DAV: 7 -0.627396899925E+03 0.56568E-05 -0.45831E-05 3777 0.179E-02 30 F= -.62739690E+03 E0= -.62737836E+03 d E =-.401737E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.627377764325E+03 0.19141E-01 -0.18840E+01 3792 0.101E+01 0.934E-01 DAV: 2 -0.627415680837E+03 -0.37917E-01 -0.42771E-01 4317 0.137E+00 0.450E-01 DAV: 3 -0.627413303069E+03 0.23778E-02 -0.72471E-03 4515 0.220E-01 0.283E-01 DAV: 4 -0.627412266676E+03 0.10364E-02 -0.64107E-03 4434 0.237E-01 0.856E-02 DAV: 5 -0.627412333258E+03 -0.66582E-04 -0.15313E-03 4389 0.100E-01 0.716E-02 DAV: 6 -0.627412325752E+03 0.75056E-05 -0.51578E-04 4398 0.593E-02 0.340E-02 DAV: 7 -0.627412318739E+03 0.70132E-05 -0.57759E-05 4119 0.200E-02 31 F= -.62741232E+03 E0= -.62739377E+03 d E =-.555925E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.627423573363E+03 -0.11248E-01 -0.12332E+01 3792 0.821E+00 0.727E-01 DAV: 2 -0.627447998525E+03 -0.24425E-01 -0.27348E-01 4335 0.110E+00 0.367E-01 DAV: 3 -0.627446671024E+03 0.13275E-02 -0.47507E-03 4470 0.180E-01 0.234E-01 DAV: 4 -0.627446091290E+03 0.57973E-03 -0.44254E-03 4416 0.200E-01 0.763E-02 DAV: 5 -0.627446114355E+03 -0.23065E-04 -0.98934E-04 4416 0.826E-02 0.642E-02 DAV: 6 -0.627446096824E+03 0.17531E-04 -0.40478E-04 4389 0.530E-02 0.286E-02 DAV: 7 -0.627446092837E+03 0.39872E-05 -0.41457E-05 3435 0.173E-02 32 F= -.62744609E+03 E0= -.62742755E+03 d E =-.337741E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.627415019293E+03 0.31078E-01 -0.28573E+01 3792 0.125E+01 0.111E+00 DAV: 2 -0.627472071505E+03 -0.57052E-01 -0.63923E-01 4335 0.167E+00 0.560E-01 DAV: 3 -0.627468924587E+03 0.31469E-02 -0.11173E-02 4488 0.276E-01 0.358E-01 DAV: 4 -0.627467548683E+03 0.13759E-02 -0.10475E-02 4407 0.307E-01 0.118E-01 DAV: 5 -0.627467595932E+03 -0.47248E-04 -0.23224E-03 4425 0.127E-01 0.989E-02 DAV: 6 -0.627467553356E+03 0.42576E-04 -0.95208E-04 4389 0.812E-02 0.439E-02 DAV: 7 -0.627467544307E+03 0.90480E-05 -0.10187E-04 4371 0.268E-02 0.232E-02 DAV: 8 -0.627467541725E+03 0.25827E-05 -0.20334E-05 3165 0.159E-02 33 F= -.62746754E+03 E0= -.62744900E+03 d E =-.552230E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.627479116590E+03 -0.11572E-01 -0.17124E+01 3792 0.972E+00 0.879E-01 DAV: 2 -0.627512615324E+03 -0.33499E-01 -0.37915E-01 4389 0.130E+00 0.451E-01 DAV: 3 -0.627510412599E+03 0.22027E-02 -0.65280E-03 4470 0.214E-01 0.285E-01 DAV: 4 -0.627509533569E+03 0.87903E-03 -0.67915E-03 4416 0.240E-01 0.913E-02 DAV: 5 -0.627509548668E+03 -0.15098E-04 -0.14734E-03 4470 0.102E-01 0.747E-02 DAV: 6 -0.627509534907E+03 0.13761E-04 -0.58306E-04 4407 0.634E-02 0.335E-02 DAV: 7 -0.627509528631E+03 0.62754E-05 -0.63189E-05 4209 0.212E-02 34 F= -.62750953E+03 E0= -.62749099E+03 d E =-.419869E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.627491654748E+03 0.17880E-01 -0.18051E+01 3792 0.998E+00 0.903E-01 DAV: 2 -0.627527109205E+03 -0.35454E-01 -0.40134E-01 4407 0.133E+00 0.462E-01 DAV: 3 -0.627524790557E+03 0.23186E-02 -0.69109E-03 4470 0.220E-01 0.293E-01 DAV: 4 -0.627523860169E+03 0.93039E-03 -0.71082E-03 4407 0.246E-01 0.936E-02 DAV: 5 -0.627523878092E+03 -0.17924E-04 -0.15523E-03 4470 0.105E-01 0.765E-02 DAV: 6 -0.627523863518E+03 0.14575E-04 -0.60629E-04 4407 0.647E-02 0.345E-02 DAV: 7 -0.627523856741E+03 0.67766E-05 -0.65851E-05 4254 0.217E-02 35 F= -.62752386E+03 E0= -.62750532E+03 d E =-.563150E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.627527285432E+03 -0.34219E-02 -0.21037E+01 3792 0.108E+01 0.965E-01 DAV: 2 -0.627567921621E+03 -0.40636E-01 -0.46215E-01 4416 0.143E+00 0.492E-01 DAV: 3 -0.627565400165E+03 0.25215E-02 -0.84108E-03 4488 0.235E-01 0.314E-01 DAV: 4 -0.627564272395E+03 0.11278E-02 -0.70429E-03 4407 0.248E-01 0.972E-02 DAV: 5 -0.627564330545E+03 -0.58150E-04 -0.16012E-03 4416 0.104E-01 0.751E-02 DAV: 6 -0.627564323798E+03 0.67466E-05 -0.62967E-04 4362 0.662E-02 0.350E-02 DAV: 7 -0.627564316585E+03 0.72127E-05 -0.68519E-05 4182 0.232E-02 36 F= -.62756432E+03 E0= -.62754578E+03 d E =-.404598E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.627496773550E+03 0.67550E-01 -0.50009E+01 3792 0.167E+01 0.149E+00 DAV: 2 -0.627594132878E+03 -0.97359E-01 -0.11092E+00 4407 0.222E+00 0.763E-01 DAV: 3 -0.627588035340E+03 0.60975E-02 -0.20362E-02 4479 0.365E-01 0.486E-01 DAV: 4 -0.627585297896E+03 0.27374E-02 -0.17164E-02 4416 0.386E-01 0.152E-01 DAV: 5 -0.627585426259E+03 -0.12836E-03 -0.38529E-03 4398 0.162E-01 0.117E-01 DAV: 6 -0.627585406864E+03 0.19394E-04 -0.15057E-03 4371 0.102E-01 0.543E-02 DAV: 7 -0.627585391058E+03 0.15807E-04 -0.16659E-04 4398 0.357E-02 0.302E-02 DAV: 8 -0.627585393544E+03 -0.24862E-05 -0.50811E-05 4344 0.181E-02 37 F= -.62758539E+03 E0= -.62756686E+03 d E =-.615368E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.627597189471E+03 -0.11798E-01 -0.12914E+01 3792 0.848E+00 0.738E-01 DAV: 2 -0.627621382591E+03 -0.24193E-01 -0.27974E-01 4407 0.112E+00 0.378E-01 DAV: 3 -0.627619950110E+03 0.14325E-02 -0.51669E-03 4488 0.179E-01 0.242E-01 DAV: 4 -0.627619272621E+03 0.67749E-03 -0.39172E-03 4398 0.187E-01 0.749E-02 DAV: 5 -0.627619316418E+03 -0.43796E-04 -0.93327E-04 4452 0.778E-02 0.577E-02 DAV: 6 -0.627619307028E+03 0.93890E-05 -0.34521E-04 4398 0.490E-02 0.267E-02 DAV: 7 -0.627619303529E+03 0.34995E-05 -0.33520E-05 2922 0.167E-02 38 F= -.62761930E+03 E0= -.62760077E+03 d E =-.339100E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.627508354289E+03 0.11095E+00 -0.89433E+01 3792 0.223E+01 0.195E+00 DAV: 2 -0.627679544392E+03 -0.17119E+00 -0.19811E+00 4407 0.296E+00 0.101E+00 DAV: 3 -0.627669332843E+03 0.10212E-01 -0.37369E-02 4479 0.482E-01 0.641E-01 DAV: 4 -0.627664469100E+03 0.48637E-02 -0.27894E-02 4407 0.496E-01 0.201E-01 DAV: 5 -0.627664757047E+03 -0.28795E-03 -0.65053E-03 4425 0.205E-01 0.154E-01 DAV: 6 -0.627664693851E+03 0.63196E-04 -0.23130E-03 4389 0.127E-01 0.712E-02 DAV: 7 -0.627664673391E+03 0.20461E-04 -0.25135E-04 4416 0.432E-02 0.373E-02 DAV: 8 -0.627664675095E+03 -0.17043E-05 -0.66334E-05 4461 0.224E-02 39 F= -.62766468E+03 E0= -.62764614E+03 d E =-.792816E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.627691484567E+03 -0.26811E-01 -0.95608E+00 3792 0.730E+00 0.758E-01 DAV: 2 -0.627709749708E+03 -0.18265E-01 -0.22288E-01 4416 0.101E+00 0.362E-01 DAV: 3 -0.627708259272E+03 0.14904E-02 -0.48326E-03 4479 0.185E-01 0.226E-01 DAV: 4 -0.627707683323E+03 0.57595E-03 -0.38195E-03 4416 0.176E-01 0.750E-02 DAV: 5 -0.627707688755E+03 -0.54313E-05 -0.75412E-04 4479 0.771E-02 0.539E-02 DAV: 6 -0.627707693198E+03 -0.44439E-05 -0.33065E-04 4407 0.478E-02 0.257E-02 DAV: 7 -0.627707689572E+03 0.36260E-05 -0.33242E-05 3057 0.166E-02 40 F= -.62770769E+03 E0= -.62768916E+03 d E =-.430145E-01 N E dE d eps ncg rms rms(c)