N E dE d eps ncg rms rms(c)
DAV: 1 0.452139054308E+04 0.45214E+04 -0.17215E+05 3888 0.953E+02
DAV: 2 0.345976052736E+03 -0.41754E+04 -0.39989E+04 4992 0.235E+02
DAV: 3 -0.753281188544E+03 -0.10993E+04 -0.10628E+04 5312 0.121E+02
DAV: 4 -0.819881725492E+03 -0.66601E+02 -0.65750E+02 4272 0.322E+01
DAV: 5 -0.821913680996E+03 -0.20320E+01 -0.20222E+01 4912 0.510E+00 0.597E+01
DAV: 6 -0.738430334334E+03 0.83483E+02 -0.40305E+02 4320 0.357E+01 0.355E+01
DAV: 7 -0.740457925238E+03 -0.20276E+01 -0.49044E+01 4216 0.128E+01 0.164E+01
DAV: 8 -0.753512456301E+03 -0.13055E+02 -0.42951E+01 4752 0.160E+01 0.168E+01
DAV: 9 -0.734078003309E+03 0.19434E+02 -0.23283E+01 5184 0.108E+01 0.634E+00
DAV: 10 -0.734175571576E+03 -0.97568E-01 -0.68702E+00 4408 0.504E+00 0.401E+00
DAV: 11 -0.733870084273E+03 0.30549E+00 -0.28392E+00 4152 0.312E+00 0.303E+00
DAV: 12 -0.733681300701E+03 0.18878E+00 -0.71581E-01 4112 0.150E+00 0.195E+00
DAV: 13 -0.733691028067E+03 -0.97274E-02 -0.21958E-01 4072 0.709E-01 0.181E+00
DAV: 14 -0.733698145149E+03 -0.71171E-02 -0.58728E-02 4312 0.526E-01 0.920E-01
DAV: 15 -0.733688848985E+03 0.92962E-02 -0.72863E-02 4200 0.456E-01 0.482E-01
DAV: 16 -0.733682644815E+03 0.62042E-02 -0.20524E-02 4256 0.284E-01 0.267E-01
DAV: 17 -0.733683820067E+03 -0.11753E-02 -0.64776E-03 4144 0.127E-01 0.172E-01
DAV: 18 -0.733686262491E+03 -0.24424E-02 -0.27931E-03 4536 0.929E-02 0.113E-01
DAV: 19 -0.733688624369E+03 -0.23619E-02 -0.81675E-04 4224 0.534E-02 0.771E-02
DAV: 20 -0.733691723845E+03 -0.30995E-02 -0.87770E-04 3936 0.442E-02 0.424E-02
DAV: 21 -0.733694279344E+03 -0.25555E-02 -0.44292E-04 4200 0.297E-02 0.409E-02
DAV: 22 -0.733696375257E+03 -0.20959E-02 -0.24203E-04 4000 0.235E-02 0.350E-02
DAV: 23 -0.733697994237E+03 -0.16190E-02 -0.19099E-04 4152 0.220E-02 0.280E-02
DAV: 24 -0.733699096250E+03 -0.11020E-02 -0.96500E-05 3944 0.145E-02 0.208E-02
DAV: 25 -0.733699860419E+03 -0.76417E-03 -0.79250E-05 3880 0.149E-02 0.107E-02
DAV: 26 -0.733700165037E+03 -0.30462E-03 -0.29360E-05 2992 0.912E-03 0.842E-03
DAV: 27 -0.733700429316E+03 -0.26428E-03 -0.11048E-05 2488 0.561E-03 0.650E-03
DAV: 28 -0.733700642091E+03 -0.21277E-03 -0.96008E-06 2408 0.587E-03 0.387E-03
DAV: 29 -0.733700820114E+03 -0.17802E-03 -0.75111E-06 2416 0.431E-03 0.406E-03
DAV: 30 -0.733700976269E+03 -0.15616E-03 -0.60128E-06 2448 0.368E-03 0.327E-03
DAV: 31 -0.733701039287E+03 -0.63018E-04 -0.27349E-06 2160 0.261E-03 0.245E-03
DAV: 32 -0.733701085331E+03 -0.46044E-04 -0.21353E-06 2160 0.257E-03 0.165E-03
DAV: 33 -0.733701119128E+03 -0.33797E-04 -0.14991E-06 2040 0.174E-03 0.122E-03
DAV: 34 -0.733701129666E+03 -0.10538E-04 -0.55671E-07 1928 0.112E-03 0.858E-04
DAV: 35 -0.733701141360E+03 -0.11694E-04 -0.42723E-07 1944 0.958E-04 0.574E-04
DAV: 36 -0.733701147790E+03 -0.64299E-05 -0.22775E-07 1920 0.634E-04
1 F= -.73370115E+03 E0= -.73368497E+03 d E =-.733701E+03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.632900790065E+03 0.10080E+03 -0.10892E+04 3720 0.187E+02 0.435E+01
DAV: 2 -0.762017716834E+03 -0.12912E+03 -0.14709E+03 5496 0.555E+01 0.379E+01
DAV: 3 -0.753070901062E+03 0.89468E+01 -0.23866E+02 4728 0.234E+01 0.282E+01
DAV: 4 -0.747215306437E+03 0.58556E+01 -0.43012E+01 4192 0.989E+00 0.216E+01
DAV: 5 -0.741899114659E+03 0.53162E+01 -0.16629E+01 4488 0.883E+00 0.127E+01
DAV: 6 -0.740959400604E+03 0.93971E+00 -0.13792E+01 3936 0.644E+00 0.676E+00
DAV: 7 -0.740920236405E+03 0.39164E-01 -0.24434E+00 4160 0.287E+00 0.436E+00
DAV: 8 -0.740901460390E+03 0.18776E-01 -0.11742E+00 4272 0.262E+00 0.288E+00
DAV: 9 -0.740844126722E+03 0.57334E-01 -0.53727E-01 4336 0.176E+00 0.247E+00
DAV: 10 -0.740741769966E+03 0.10236E+00 -0.20253E-01 4840 0.125E+00 0.121E+00
DAV: 11 -0.740747784279E+03 -0.60143E-02 -0.24091E-01 4024 0.797E-01 0.740E-01
DAV: 12 -0.740747706271E+03 0.78007E-04 -0.22122E-02 4264 0.282E-01 0.509E-01
DAV: 13 -0.740747457669E+03 0.24860E-03 -0.13061E-02 4104 0.218E-01 0.285E-01
DAV: 14 -0.740748486749E+03 -0.10291E-02 -0.60466E-03 4200 0.171E-01 0.261E-01
DAV: 15 -0.740748296084E+03 0.19066E-03 -0.22958E-03 4000 0.970E-02 0.201E-01
DAV: 16 -0.740747772908E+03 0.52318E-03 -0.21191E-03 4584 0.107E-01 0.917E-02
DAV: 17 -0.740747876201E+03 -0.10329E-03 -0.11914E-03 3928 0.557E-02 0.666E-02
DAV: 18 -0.740747936242E+03 -0.60040E-04 -0.13622E-04 4224 0.231E-02 0.406E-02
DAV: 19 -0.740748091693E+03 -0.15545E-03 -0.18276E-04 4136 0.300E-02 0.294E-02
DAV: 20 -0.740748175403E+03 -0.83710E-04 -0.68247E-05 3816 0.137E-02 0.290E-02
DAV: 21 -0.740748213486E+03 -0.38083E-04 -0.14858E-05 2176 0.847E-03 0.200E-02
DAV: 22 -0.740748252563E+03 -0.39077E-04 -0.20066E-05 2584 0.901E-03 0.978E-03
DAV: 23 -0.740748299503E+03 -0.46940E-04 -0.15495E-05 2256 0.791E-03 0.300E-03
DAV: 24 -0.740748366813E+03 -0.67310E-04 -0.14352E-05 2584 0.545E-03 0.465E-03
DAV: 25 -0.740748393976E+03 -0.27163E-04 -0.28725E-06 2144 0.269E-03 0.415E-03
DAV: 26 -0.740748426952E+03 -0.32976E-04 -0.42123E-06 2368 0.364E-03 0.245E-03
DAV: 27 -0.740748439308E+03 -0.12357E-04 -0.16487E-06 2008 0.197E-03 0.187E-03
DAV: 28 -0.740748445840E+03 -0.65316E-05 -0.57708E-07 1976 0.113E-03
2 F= -.74074845E+03 E0= -.74076127E+03 d E =-.704730E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.706279606016E+03 0.34469E+02 -0.50294E+03 3624 0.131E+02 0.274E+01
DAV: 2 -0.757094221272E+03 -0.50815E+02 -0.58831E+02 4512 0.364E+01 0.199E+01
DAV: 3 -0.752919616136E+03 0.41746E+01 -0.40859E+01 4208 0.107E+01 0.146E+01
DAV: 4 -0.751494061703E+03 0.14256E+01 -0.15486E+01 4032 0.585E+00 0.955E+00
DAV: 5 -0.750403476073E+03 0.10906E+01 -0.93933E+00 4472 0.656E+00 0.408E+00
DAV: 6 -0.750327822276E+03 0.75654E-01 -0.39775E+00 3984 0.298E+00 0.279E+00
DAV: 7 -0.750354525474E+03 -0.26703E-01 -0.47422E-01 4336 0.130E+00 0.186E+00
DAV: 8 -0.750334528459E+03 0.19997E-01 -0.34936E-01 4320 0.120E+00 0.113E+00
DAV: 9 -0.750307900675E+03 0.26628E-01 -0.11497E-01 4400 0.708E-01 0.735E-01
DAV: 10 -0.750307732176E+03 0.16850E-03 -0.36736E-02 4032 0.365E-01 0.639E-01
DAV: 11 -0.750302391188E+03 0.53410E-02 -0.42640E-02 4400 0.444E-01 0.288E-01
DAV: 12 -0.750302461875E+03 -0.70686E-04 -0.21778E-02 4032 0.258E-01 0.235E-01
DAV: 13 -0.750302676960E+03 -0.21509E-03 -0.37076E-03 3944 0.101E-01 0.216E-01
DAV: 14 -0.750302540486E+03 0.13647E-03 -0.20105E-03 4288 0.924E-02 0.133E-01
DAV: 15 -0.750302598448E+03 -0.57961E-04 -0.12948E-03 4168 0.663E-02 0.856E-02
DAV: 16 -0.750302656167E+03 -0.57719E-04 -0.41106E-04 4192 0.386E-02 0.533E-02
DAV: 17 -0.750302731476E+03 -0.75309E-04 -0.16646E-04 4112 0.228E-02 0.338E-02
DAV: 18 -0.750302817797E+03 -0.86321E-04 -0.87800E-05 4064 0.200E-02 0.161E-02
DAV: 19 -0.750302895477E+03 -0.77680E-04 -0.73045E-05 3568 0.147E-02 0.128E-02
DAV: 20 -0.750302951466E+03 -0.55989E-04 -0.80963E-06 2232 0.614E-03 0.979E-03
DAV: 21 -0.750303027664E+03 -0.76197E-04 -0.13455E-05 2664 0.657E-03 0.531E-03
DAV: 22 -0.750303056839E+03 -0.29176E-04 -0.56906E-06 2064 0.420E-03 0.328E-03
DAV: 23 -0.750303115871E+03 -0.59031E-04 -0.63733E-06 2488 0.343E-03 0.258E-03
DAV: 24 -0.750303149961E+03 -0.34090E-04 -0.28138E-06 2256 0.212E-03 0.226E-03
DAV: 25 -0.750303173151E+03 -0.23190E-04 -0.22280E-06 2272 0.189E-03 0.151E-03
DAV: 26 -0.750303186058E+03 -0.12908E-04 -0.10419E-06 2024 0.122E-03 0.121E-03
DAV: 27 -0.750303189762E+03 -0.37039E-05 -0.30136E-07 1920 0.702E-04
3 F= -.75030319E+03 E0= -.75029932E+03 d E =-.166020E+02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.750165464033E+03 0.13772E+00 -0.61795E+01 3600 0.146E+01 0.232E+00
DAV: 2 -0.750413369546E+03 -0.24791E+00 -0.26996E+00 3960 0.237E+00 0.979E-01
DAV: 3 -0.750402785251E+03 0.10584E-01 -0.84609E-02 4312 0.538E-01 0.680E-01
DAV: 4 -0.750405846184E+03 -0.30609E-02 -0.12209E-01 4536 0.473E-01 0.576E-01
DAV: 5 -0.750392185810E+03 0.13660E-01 -0.61436E-02 4400 0.424E-01 0.184E-01
DAV: 6 -0.750392866824E+03 -0.68101E-03 -0.15950E-02 4016 0.203E-01 0.180E-01
DAV: 7 -0.750392409927E+03 0.45690E-03 -0.19305E-03 4000 0.905E-02 0.131E-01
DAV: 8 -0.750392298161E+03 0.11177E-03 -0.17568E-03 4104 0.774E-02 0.600E-02
DAV: 9 -0.750392334237E+03 -0.36076E-04 -0.31602E-04 4144 0.306E-02 0.358E-02
DAV: 10 -0.750392334860E+03 -0.62278E-06 -0.79568E-05 4032 0.199E-02
4 F= -.75039233E+03 E0= -.75039098E+03 d E =-.166912E+02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.749345938955E+03 0.10464E+01 -0.22500E+03 3600 0.923E+01 0.126E+01
DAV: 2 -0.760120630754E+03 -0.10775E+02 -0.11795E+02 4160 0.173E+01 0.875E+00
DAV: 3 -0.759179669816E+03 0.94096E+00 -0.43454E+00 4232 0.426E+00 0.563E+00
DAV: 4 -0.759138440405E+03 0.41229E-01 -0.48965E+00 4104 0.298E+00 0.430E+00
DAV: 5 -0.758610343973E+03 0.52810E+00 -0.16315E+00 4240 0.263E+00 0.164E+00
DAV: 6 -0.758615176031E+03 -0.48321E-02 -0.54559E-01 3984 0.126E+00 0.995E-01
DAV: 7 -0.758615984671E+03 -0.80864E-03 -0.11751E-01 4208 0.671E-01 0.612E-01
DAV: 8 -0.758614506783E+03 0.14779E-02 -0.47317E-02 4096 0.424E-01 0.332E-01
DAV: 9 -0.758613553444E+03 0.95334E-03 -0.10968E-02 4120 0.233E-01 0.183E-01
DAV: 10 -0.758613469920E+03 0.83524E-04 -0.46326E-03 4176 0.135E-01 0.119E-01
DAV: 11 -0.758613672264E+03 -0.20234E-03 -0.17532E-03 4168 0.760E-02 0.994E-02
DAV: 12 -0.758613625166E+03 0.47098E-04 -0.41214E-04 4264 0.504E-02 0.623E-02
DAV: 13 -0.758613692370E+03 -0.67204E-04 -0.64535E-04 4056 0.450E-02 0.265E-02
DAV: 14 -0.758613752333E+03 -0.59964E-04 -0.89527E-05 4000 0.177E-02 0.202E-02
DAV: 15 -0.758613811078E+03 -0.58745E-04 -0.28348E-05 2848 0.108E-02 0.141E-02
DAV: 16 -0.758613871509E+03 -0.60431E-04 -0.40591E-05 3344 0.130E-02 0.735E-03
DAV: 17 -0.758613917176E+03 -0.45667E-04 -0.11035E-05 2168 0.722E-03 0.455E-03
DAV: 18 -0.758613978262E+03 -0.61086E-04 -0.97743E-06 2432 0.503E-03 0.357E-03
DAV: 19 -0.758614005101E+03 -0.26839E-04 -0.23023E-06 2104 0.272E-03 0.277E-03
DAV: 20 -0.758614052846E+03 -0.47745E-04 -0.60557E-06 2432 0.475E-03 0.285E-03
DAV: 21 -0.758614073558E+03 -0.20712E-04 -0.29639E-06 2200 0.274E-03 0.327E-03
DAV: 22 -0.758614089338E+03 -0.15780E-04 -0.17581E-06 2240 0.240E-03 0.200E-03
DAV: 23 -0.758614100189E+03 -0.10851E-04 -0.21126E-06 2120 0.254E-03 0.125E-03
DAV: 24 -0.758614103114E+03 -0.29249E-05 -0.52020E-07 1920 0.116E-03
5 F= -.75861410E+03 E0= -.75862545E+03 d E =-.822177E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.758614105906E+03 -0.57169E-05 -0.34695E-01 3680 0.114E+00 0.137E-01
DAV: 2 -0.758615217032E+03 -0.11111E-02 -0.12551E-02 4088 0.186E-01 0.800E-02
DAV: 3 -0.758615135667E+03 0.81364E-04 -0.32822E-04 4368 0.386E-02 0.544E-02
DAV: 4 -0.758615180054E+03 -0.44386E-04 -0.49881E-04 4464 0.377E-02 0.470E-02
DAV: 5 -0.758615096264E+03 0.83790E-04 -0.32779E-04 4280 0.318E-02 0.169E-02
DAV: 6 -0.758615096999E+03 -0.73490E-06 -0.56931E-05 3840 0.132E-02
6 F= -.75861510E+03 E0= -.75862651E+03 d E =-.822276E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.753304370239E+03 0.53107E+01 -0.21062E+03 3600 0.870E+01 0.179E+01
DAV: 2 -0.763414017091E+03 -0.10110E+02 -0.11356E+02 4136 0.163E+01 0.102E+01
DAV: 3 -0.762292964181E+03 0.11211E+01 -0.29650E+00 4320 0.353E+00 0.713E+00
DAV: 4 -0.762242115835E+03 0.50848E-01 -0.39294E+00 4264 0.286E+00 0.431E+00
DAV: 5 -0.761960485741E+03 0.28163E+00 -0.17605E+00 4304 0.205E+00 0.257E+00
DAV: 6 -0.761910595420E+03 0.49890E-01 -0.34049E-01 4200 0.109E+00 0.167E+00
DAV: 7 -0.761923907742E+03 -0.13312E-01 -0.19081E-01 4192 0.868E-01 0.758E-01
DAV: 8 -0.761907122056E+03 0.16786E-01 -0.73306E-02 4216 0.536E-01 0.418E-01
DAV: 9 -0.761905446370E+03 0.16757E-02 -0.17741E-02 4512 0.271E-01 0.223E-01
DAV: 10 -0.761906205961E+03 -0.75959E-03 -0.11057E-02 4088 0.193E-01 0.160E-01
DAV: 11 -0.761906242722E+03 -0.36761E-04 -0.13722E-03 4264 0.793E-02 0.115E-01
DAV: 12 -0.761906361265E+03 -0.11854E-03 -0.15692E-03 4288 0.808E-02 0.496E-02
DAV: 13 -0.761906538483E+03 -0.17722E-03 -0.54481E-04 4288 0.430E-02 0.324E-02
DAV: 14 -0.761906673945E+03 -0.13546E-03 -0.81400E-05 4072 0.180E-02 0.240E-02
DAV: 15 -0.761906829488E+03 -0.15554E-03 -0.71289E-05 3872 0.173E-02 0.129E-02
DAV: 16 -0.761906979351E+03 -0.14986E-03 -0.43609E-05 3808 0.122E-02 0.122E-02
DAV: 17 -0.761907170846E+03 -0.19150E-03 -0.21474E-05 3080 0.913E-03 0.894E-03
DAV: 18 -0.761907318328E+03 -0.14748E-03 -0.30527E-05 3368 0.997E-03 0.612E-03
DAV: 19 -0.761907383767E+03 -0.65439E-04 -0.93035E-06 2520 0.569E-03 0.470E-03
DAV: 20 -0.761907477892E+03 -0.94125E-04 -0.12655E-05 2848 0.515E-03 0.355E-03
DAV: 21 -0.761907511303E+03 -0.33411E-04 -0.35301E-06 2368 0.348E-03 0.264E-03
DAV: 22 -0.761907544718E+03 -0.33415E-04 -0.41053E-06 2432 0.329E-03 0.170E-03
DAV: 23 -0.761907560141E+03 -0.15423E-04 -0.14796E-06 2184 0.195E-03 0.128E-03
DAV: 24 -0.761907570374E+03 -0.10232E-04 -0.78700E-07 2024 0.142E-03 0.780E-04
DAV: 25 -0.761907581621E+03 -0.11247E-04 -0.75163E-07 2192 0.116E-03 0.796E-04
DAV: 26 -0.761907585651E+03 -0.40297E-05 -0.25662E-07 1936 0.651E-04
7 F= -.76190759E+03 E0= -.76192088E+03 d E =-.329249E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.761995794798E+03 -0.88213E-01 -0.19624E+02 3600 0.264E+01 0.325E+00
DAV: 2 -0.762546020404E+03 -0.55023E+00 -0.63371E+00 4024 0.412E+00 0.177E+00
DAV: 3 -0.762501195655E+03 0.44825E-01 -0.11195E-01 4456 0.699E-01 0.117E+00
DAV: 4 -0.762502593575E+03 -0.13979E-02 -0.19290E-01 4168 0.815E-01 0.685E-01
DAV: 5 -0.762487627851E+03 0.14966E-01 -0.10534E-01 4240 0.546E-01 0.421E-01
DAV: 6 -0.762484599985E+03 0.30279E-02 -0.13151E-02 4064 0.229E-01 0.294E-01
DAV: 7 -0.762484459494E+03 0.14049E-03 -0.14686E-02 4072 0.235E-01 0.136E-01
DAV: 8 -0.762484385722E+03 0.73772E-04 -0.30713E-03 4168 0.105E-01 0.982E-02
DAV: 9 -0.762484256526E+03 0.12920E-03 -0.53117E-04 4496 0.556E-02 0.558E-02
DAV: 10 -0.762484283473E+03 -0.26947E-04 -0.64944E-04 4048 0.488E-02 0.364E-02
DAV: 11 -0.762484306704E+03 -0.23231E-04 -0.18672E-04 3952 0.235E-02 0.361E-02
DAV: 12 -0.762484308022E+03 -0.13180E-05 -0.48586E-05 3416 0.173E-02
8 F= -.76248431E+03 E0= -.76249695E+03 d E =-.386921E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.760453182462E+03 0.20311E+01 -0.16403E+03 3600 0.776E+01 0.111E+01
DAV: 2 -0.766978235970E+03 -0.65251E+01 -0.74151E+01 3984 0.135E+01 0.651E+00
DAV: 3 -0.766412552362E+03 0.56568E+00 -0.17364E+00 4240 0.257E+00 0.443E+00
DAV: 4 -0.766456428782E+03 -0.43876E-01 -0.19784E+00 4416 0.278E+00 0.268E+00
DAV: 5 -0.766212138383E+03 0.24429E+00 -0.14565E+00 4208 0.191E+00 0.148E+00
DAV: 6 -0.766187140789E+03 0.24998E-01 -0.17089E-01 3944 0.778E-01 0.927E-01
DAV: 7 -0.766189618252E+03 -0.24775E-02 -0.15254E-01 4296 0.804E-01 0.511E-01
DAV: 8 -0.766188138893E+03 0.14794E-02 -0.45832E-02 4176 0.381E-01 0.329E-01
DAV: 9 -0.766187283368E+03 0.85553E-03 -0.83749E-03 4272 0.201E-01 0.205E-01
DAV: 10 -0.766186997143E+03 0.28623E-03 -0.82468E-03 4120 0.173E-01 0.116E-01
DAV: 11 -0.766187091930E+03 -0.94788E-04 -0.18452E-03 4144 0.755E-02 0.115E-01
DAV: 12 -0.766187027505E+03 0.64425E-04 -0.52780E-04 4136 0.520E-02 0.786E-02
DAV: 13 -0.766187019890E+03 0.76154E-05 -0.68924E-04 4072 0.510E-02 0.294E-02
DAV: 14 -0.766187050938E+03 -0.31048E-04 -0.19192E-04 4080 0.248E-02 0.182E-02
DAV: 15 -0.766187094036E+03 -0.43098E-04 -0.32697E-05 3024 0.105E-02 0.130E-02
DAV: 16 -0.766187139084E+03 -0.45048E-04 -0.15949E-05 2336 0.889E-03 0.892E-03
DAV: 17 -0.766187198468E+03 -0.59384E-04 -0.15864E-05 2568 0.759E-03 0.593E-03
DAV: 18 -0.766187249763E+03 -0.51295E-04 -0.88944E-06 2384 0.536E-03 0.494E-03
DAV: 19 -0.766187285518E+03 -0.35756E-04 -0.43743E-06 2392 0.376E-03 0.392E-03
DAV: 20 -0.766187332102E+03 -0.46583E-04 -0.68652E-06 2408 0.524E-03 0.306E-03
DAV: 21 -0.766187355999E+03 -0.23898E-04 -0.30051E-06 2248 0.276E-03 0.286E-03
DAV: 22 -0.766187374779E+03 -0.18780E-04 -0.13984E-06 2216 0.193E-03 0.169E-03
DAV: 23 -0.766187389008E+03 -0.14229E-04 -0.13949E-06 2224 0.203E-03 0.100E-03
DAV: 24 -0.766187396096E+03 -0.70881E-05 -0.53052E-07 1992 0.105E-03
9 F= -.76618740E+03 E0= -.76619736E+03 d E =-.370309E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.766185448737E+03 0.19403E-02 -0.31007E+00 3600 0.338E+00 0.419E-01
DAV: 2 -0.766194606142E+03 -0.91574E-02 -0.10356E-01 3992 0.529E-01 0.221E-01
DAV: 3 -0.766194164355E+03 0.44179E-03 -0.44250E-03 4240 0.120E-01 0.164E-01
DAV: 4 -0.766193976513E+03 0.18784E-03 -0.39140E-03 4272 0.938E-02 0.126E-01
DAV: 5 -0.766193576951E+03 0.39956E-03 -0.16092E-03 4096 0.805E-02 0.377E-02
DAV: 6 -0.766193618049E+03 -0.41098E-04 -0.51581E-04 3928 0.370E-02 0.313E-02
DAV: 7 -0.766193612785E+03 0.52637E-05 -0.81193E-05 3920 0.184E-02
10 F= -.76619361E+03 E0= -.76620368E+03 d E =-.370930E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.762232728004E+03 0.39609E+01 -0.17747E+03 3600 0.803E+01 0.120E+01
DAV: 2 -0.769755295576E+03 -0.75226E+01 -0.84183E+01 3992 0.142E+01 0.682E+00
DAV: 3 -0.769153970628E+03 0.60132E+00 -0.24954E+00 4184 0.272E+00 0.474E+00
DAV: 4 -0.769198835351E+03 -0.44865E-01 -0.20746E+00 4376 0.266E+00 0.328E+00
DAV: 5 -0.768905949264E+03 0.29289E+00 -0.18500E+00 4104 0.221E+00 0.162E+00
DAV: 6 -0.768885876649E+03 0.20073E-01 -0.23091E-01 3960 0.874E-01 0.112E+00
DAV: 7 -0.768881017220E+03 0.48594E-02 -0.13780E-01 4336 0.802E-01 0.561E-01
DAV: 8 -0.768883029503E+03 -0.20123E-02 -0.69068E-02 4072 0.436E-01 0.360E-01
DAV: 9 -0.768882379976E+03 0.64953E-03 -0.10232E-02 4120 0.202E-01 0.272E-01
DAV: 10 -0.768881287849E+03 0.10921E-02 -0.64793E-03 4112 0.183E-01 0.138E-01
DAV: 11 -0.768881611124E+03 -0.32328E-03 -0.63184E-03 4032 0.142E-01 0.135E-01
DAV: 12 -0.768881547351E+03 0.63773E-04 -0.82517E-04 4144 0.614E-02 0.100E-01
DAV: 13 -0.768881540155E+03 0.71968E-05 -0.13226E-03 4096 0.736E-02 0.350E-02
DAV: 14 -0.768881629148E+03 -0.88994E-04 -0.29097E-04 4024 0.292E-02 0.245E-02
DAV: 15 -0.768881704934E+03 -0.75786E-04 -0.48846E-05 3704 0.134E-02 0.191E-02
DAV: 16 -0.768881761287E+03 -0.56353E-04 -0.23032E-05 2472 0.121E-02 0.110E-02
DAV: 17 -0.768881851609E+03 -0.90322E-04 -0.69414E-05 3808 0.150E-02 0.126E-02
DAV: 18 -0.768881912360E+03 -0.60752E-04 -0.79294E-06 2296 0.701E-03 0.861E-03
DAV: 19 -0.768881988521E+03 -0.76160E-04 -0.19516E-05 2696 0.751E-03 0.343E-03
DAV: 20 -0.768882042191E+03 -0.53670E-04 -0.47692E-06 2328 0.364E-03 0.196E-03
DAV: 21 -0.768882092516E+03 -0.50325E-04 -0.49729E-06 2496 0.288E-03 0.211E-03
DAV: 22 -0.768882113351E+03 -0.20835E-04 -0.14215E-06 2248 0.227E-03 0.155E-03
DAV: 23 -0.768882135349E+03 -0.21998E-04 -0.34590E-06 2296 0.323E-03 0.368E-03
DAV: 24 -0.768882140386E+03 -0.50366E-05 -0.81363E-07 1968 0.236E-03
11 F= -.76888214E+03 E0= -.76888729E+03 d E =-.268853E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.768876829419E+03 0.53059E-02 -0.70743E+01 3600 0.161E+01 0.194E+00
DAV: 2 -0.769100828376E+03 -0.22400E+00 -0.24787E+00 4008 0.257E+00 0.110E+00
DAV: 3 -0.769092770394E+03 0.80580E-02 -0.13172E-01 4272 0.615E-01 0.860E-01
DAV: 4 -0.769083203261E+03 0.95671E-02 -0.10823E-01 4216 0.436E-01 0.639E-01
DAV: 5 -0.769075527025E+03 0.76762E-02 -0.37894E-02 4296 0.402E-01 0.212E-01
DAV: 6 -0.769076362500E+03 -0.83547E-03 -0.13908E-02 4016 0.197E-01 0.178E-01
DAV: 7 -0.769076073160E+03 0.28934E-03 -0.23987E-03 4168 0.988E-02 0.107E-01
DAV: 8 -0.769076062245E+03 0.10916E-04 -0.15499E-03 4072 0.731E-02 0.568E-02
DAV: 9 -0.769076058583E+03 0.36615E-05 -0.22654E-04 3992 0.269E-02 0.342E-02
DAV: 10 -0.769076069142E+03 -0.10558E-04 -0.11696E-04 4112 0.228E-02 0.183E-02
DAV: 11 -0.769076083033E+03 -0.13891E-04 -0.59909E-05 3720 0.154E-02 0.132E-02
DAV: 12 -0.769076091262E+03 -0.82290E-05 -0.13698E-05 2296 0.758E-03
12 F= -.76907609E+03 E0= -.76908208E+03 d E =-.288248E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.767334512103E+03 0.17416E+01 -0.11555E+03 3600 0.647E+01 0.863E+00
DAV: 2 -0.771878746178E+03 -0.45442E+01 -0.50218E+01 3928 0.111E+01 0.523E+00
DAV: 3 -0.771506824783E+03 0.37192E+00 -0.94945E-01 4256 0.208E+00 0.362E+00
DAV: 4 -0.771476604836E+03 0.30220E-01 -0.16099E+00 4160 0.201E+00 0.223E+00
DAV: 5 -0.771373314781E+03 0.10329E+00 -0.91094E-01 4224 0.149E+00 0.128E+00
DAV: 6 -0.771340168643E+03 0.33146E-01 -0.23338E-01 4112 0.747E-01 0.767E-01
DAV: 7 -0.771343321470E+03 -0.31528E-02 -0.89003E-02 4256 0.631E-01 0.470E-01
DAV: 8 -0.771338866867E+03 0.44546E-02 -0.45176E-02 4136 0.384E-01 0.254E-01
DAV: 9 -0.771338318368E+03 0.54850E-03 -0.53031E-03 4160 0.139E-01 0.181E-01
DAV: 10 -0.771338292351E+03 0.26018E-04 -0.62074E-03 4152 0.163E-01 0.115E-01
DAV: 11 -0.771338416890E+03 -0.12454E-03 -0.20780E-03 4160 0.824E-02 0.104E-01
DAV: 12 -0.771338328062E+03 0.88828E-04 -0.49054E-04 4240 0.493E-02 0.714E-02
DAV: 13 -0.771338345259E+03 -0.17198E-04 -0.72817E-04 4112 0.527E-02 0.319E-02
DAV: 14 -0.771338400405E+03 -0.55146E-04 -0.15187E-04 3960 0.218E-02 0.243E-02
DAV: 15 -0.771338452824E+03 -0.52419E-04 -0.20635E-05 2408 0.109E-02 0.169E-02
DAV: 16 -0.771338513412E+03 -0.60588E-04 -0.44586E-05 3560 0.135E-02 0.959E-03
DAV: 17 -0.771338545939E+03 -0.32527E-04 -0.13024E-05 2280 0.716E-03 0.637E-03
DAV: 18 -0.771338632764E+03 -0.86824E-04 -0.16882E-05 2752 0.844E-03 0.510E-03
DAV: 19 -0.771338660180E+03 -0.27416E-04 -0.62156E-06 2216 0.444E-03 0.509E-03
DAV: 20 -0.771338682436E+03 -0.22257E-04 -0.34107E-06 2056 0.409E-03 0.363E-03
DAV: 21 -0.771338710791E+03 -0.28355E-04 -0.42947E-06 2176 0.377E-03 0.317E-03
DAV: 22 -0.771338737576E+03 -0.26784E-04 -0.28459E-06 2328 0.260E-03 0.220E-03
DAV: 23 -0.771338749805E+03 -0.12230E-04 -0.25252E-06 2152 0.306E-03 0.168E-03
DAV: 24 -0.771338753525E+03 -0.37195E-05 -0.67100E-07 1920 0.145E-03
13 F= -.77133875E+03 E0= -.77134363E+03 d E =-.226266E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.771337344501E+03 0.14053E-02 -0.34309E+00 3656 0.354E+00 0.396E-01
DAV: 2 -0.771347783846E+03 -0.10439E-01 -0.11562E-01 3944 0.558E-01 0.228E-01
DAV: 3 -0.771347070631E+03 0.71321E-03 -0.24146E-03 4432 0.925E-02 0.157E-01
DAV: 4 -0.771347316853E+03 -0.24622E-03 -0.39012E-03 4328 0.978E-02 0.137E-01
DAV: 5 -0.771346767225E+03 0.54963E-03 -0.36224E-03 4304 0.900E-02 0.574E-02
DAV: 6 -0.771346730502E+03 0.36724E-04 -0.49207E-04 3976 0.367E-02 0.419E-02
DAV: 7 -0.771346719887E+03 0.10614E-04 -0.14094E-04 4080 0.248E-02 0.251E-02
DAV: 8 -0.771346719506E+03 0.38113E-06 -0.11885E-04 3992 0.200E-02 0.141E-02
DAV: 9 -0.771346719739E+03 -0.23247E-06 -0.16048E-05 2016 0.736E-03
14 F= -.77134672E+03 E0= -.77135164E+03 d E =-.227063E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.769672480399E+03 0.16742E+01 -0.96245E+02 3600 0.587E+01 0.779E+00
DAV: 2 -0.773126095273E+03 -0.34536E+01 -0.37837E+01 3880 0.981E+00 0.470E+00
DAV: 3 -0.772854424083E+03 0.27167E+00 -0.83719E-01 4328 0.194E+00 0.332E+00
DAV: 4 -0.772937394751E+03 -0.82971E-01 -0.21287E+00 4192 0.170E+00 0.283E+00
DAV: 5 -0.772703918547E+03 0.23348E+00 -0.84610E-01 4256 0.159E+00 0.951E-01
DAV: 6 -0.772706777749E+03 -0.28592E-02 -0.17828E-01 4088 0.734E-01 0.666E-01
DAV: 7 -0.772703595659E+03 0.31821E-02 -0.54014E-02 4128 0.493E-01 0.380E-01
DAV: 8 -0.772704036954E+03 -0.44129E-03 -0.21093E-02 4048 0.261E-01 0.197E-01
DAV: 9 -0.772704032486E+03 0.44681E-05 -0.29092E-03 3976 0.107E-01 0.102E-01
DAV: 10 -0.772704236706E+03 -0.20422E-03 -0.23521E-03 4168 0.906E-02 0.880E-02
DAV: 11 -0.772704213349E+03 0.23357E-04 -0.34439E-04 4256 0.408E-02 0.633E-02
DAV: 12 -0.772704233176E+03 -0.19826E-04 -0.34059E-04 4112 0.355E-02 0.335E-02
DAV: 13 -0.772704274932E+03 -0.41756E-04 -0.17026E-04 4016 0.259E-02 0.189E-02
DAV: 14 -0.772704313417E+03 -0.38485E-04 -0.62607E-05 3808 0.136E-02 0.186E-02
DAV: 15 -0.772704335568E+03 -0.22150E-04 -0.12815E-05 2144 0.939E-03 0.118E-02
DAV: 16 -0.772704362203E+03 -0.26636E-04 -0.34111E-05 3136 0.108E-02 0.519E-03
DAV: 17 -0.772704393465E+03 -0.31261E-04 -0.52552E-06 2200 0.460E-03 0.377E-03
DAV: 18 -0.772704433594E+03 -0.40129E-04 -0.46630E-06 2352 0.329E-03 0.310E-03
DAV: 19 -0.772704458262E+03 -0.24668E-04 -0.18864E-06 2192 0.249E-03 0.193E-03
DAV: 20 -0.772704481707E+03 -0.23445E-04 -0.26742E-06 2280 0.282E-03 0.184E-03
DAV: 21 -0.772704488860E+03 -0.71529E-05 -0.87740E-07 2080 0.152E-03
15 F= -.77270449E+03 E0= -.77270816E+03 d E =-.135777E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.772689565175E+03 0.14917E-01 -0.36850E+01 3616 0.115E+01 0.121E+00
DAV: 2 -0.772793192256E+03 -0.10363E+00 -0.11438E+00 3872 0.176E+00 0.719E-01
DAV: 3 -0.772786245450E+03 0.69468E-02 -0.20332E-02 4400 0.277E-01 0.496E-01
DAV: 4 -0.772786971611E+03 -0.72616E-03 -0.30929E-02 4576 0.331E-01 0.364E-01
DAV: 5 -0.772783701755E+03 0.32699E-02 -0.35676E-02 4288 0.238E-01 0.202E-01
DAV: 6 -0.772783067097E+03 0.63466E-03 -0.45431E-03 4024 0.102E-01 0.118E-01
DAV: 7 -0.772783047110E+03 0.19988E-04 -0.16302E-03 4192 0.884E-02 0.708E-02
DAV: 8 -0.772783018470E+03 0.28640E-04 -0.11808E-03 4024 0.590E-02 0.458E-02
DAV: 9 -0.772783008901E+03 0.95694E-05 -0.12751E-04 4200 0.210E-02 0.355E-02
DAV: 10 -0.772782997763E+03 0.11138E-04 -0.13846E-04 3872 0.243E-02 0.186E-02
DAV: 11 -0.772783004446E+03 -0.66824E-05 -0.69473E-05 3696 0.154E-02
16 F= -.77278300E+03 E0= -.77278705E+03 d E =-.143628E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.772212275303E+03 0.57072E+00 -0.81777E+02 3600 0.546E+01 0.609E+00
DAV: 2 -0.774930233153E+03 -0.27180E+01 -0.30162E+01 3888 0.887E+00 0.373E+00
DAV: 3 -0.774736508011E+03 0.19373E+00 -0.50152E-01 4224 0.154E+00 0.255E+00
DAV: 4 -0.774717829883E+03 0.18678E-01 -0.96797E-01 4120 0.170E+00 0.163E+00
DAV: 5 -0.774679363124E+03 0.38467E-01 -0.62121E-01 4168 0.110E+00 0.120E+00
DAV: 6 -0.774648980038E+03 0.30383E-01 -0.17135E-01 4088 0.531E-01 0.727E-01
DAV: 7 -0.774647638655E+03 0.13414E-02 -0.50257E-02 4224 0.484E-01 0.413E-01
DAV: 8 -0.774645598139E+03 0.20405E-02 -0.36784E-02 4056 0.330E-01 0.202E-01
DAV: 9 -0.774645486914E+03 0.11123E-03 -0.56544E-03 4104 0.118E-01 0.157E-01
DAV: 10 -0.774645270199E+03 0.21672E-03 -0.19313E-03 4112 0.966E-02 0.929E-02
DAV: 11 -0.774645354722E+03 -0.84524E-04 -0.20255E-03 4088 0.897E-02 0.744E-02
DAV: 12 -0.774645317737E+03 0.36985E-04 -0.34331E-04 4016 0.393E-02 0.558E-02
DAV: 13 -0.774645331198E+03 -0.13460E-04 -0.38959E-04 4040 0.373E-02 0.255E-02
DAV: 14 -0.774645357539E+03 -0.26341E-04 -0.72282E-05 3864 0.153E-02 0.157E-02
DAV: 15 -0.774645382373E+03 -0.24834E-04 -0.14949E-05 2216 0.807E-03 0.108E-02
DAV: 16 -0.774645408150E+03 -0.25778E-04 -0.11715E-05 2296 0.748E-03 0.705E-03
DAV: 17 -0.774645432562E+03 -0.24412E-04 -0.98448E-06 2240 0.588E-03 0.537E-03
DAV: 18 -0.774645467302E+03 -0.34740E-04 -0.55872E-06 2384 0.502E-03 0.382E-03
DAV: 19 -0.774645487227E+03 -0.19925E-04 -0.57269E-06 2240 0.447E-03 0.391E-03
DAV: 20 -0.774645492423E+03 -0.51961E-05 -0.15537E-06 1920 0.246E-03
17 F= -.77464549E+03 E0= -.77464732E+03 d E =-.186249E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.774489145287E+03 0.15634E+00 -0.12118E+02 3640 0.210E+01 0.219E+00
DAV: 2 -0.774831233060E+03 -0.34209E+00 -0.37740E+00 3880 0.321E+00 0.124E+00
DAV: 3 -0.774812304433E+03 0.18929E-01 -0.94931E-02 4344 0.526E-01 0.912E-01
DAV: 4 -0.774820683158E+03 -0.83787E-02 -0.15084E-01 4296 0.492E-01 0.886E-01
DAV: 5 -0.774799249157E+03 0.21434E-01 -0.12692E-01 4368 0.540E-01 0.287E-01
DAV: 6 -0.774799601103E+03 -0.35195E-03 -0.19748E-02 4024 0.234E-01 0.269E-01
DAV: 7 -0.774798953412E+03 0.64769E-03 -0.35095E-03 4064 0.128E-01 0.174E-01
DAV: 8 -0.774798816970E+03 0.13644E-03 -0.46315E-03 4072 0.123E-01 0.798E-02
DAV: 9 -0.774798865862E+03 -0.48892E-04 -0.96781E-04 4056 0.564E-02 0.627E-02
DAV: 10 -0.774798830211E+03 0.35652E-04 -0.23093E-04 4224 0.316E-02 0.456E-02
DAV: 11 -0.774798830853E+03 -0.64241E-06 -0.43199E-04 4080 0.421E-02 0.301E-02
DAV: 12 -0.774798836709E+03 -0.58562E-05 -0.84918E-05 3672 0.174E-02
18 F= -.77479884E+03 E0= -.77479980E+03 d E =-.201583E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.773479459623E+03 0.13194E+01 -0.86832E+02 3600 0.551E+01 0.677E+00
DAV: 2 -0.776308226376E+03 -0.28288E+01 -0.31816E+01 3896 0.885E+00 0.400E+00
DAV: 3 -0.776106076152E+03 0.20215E+00 -0.53372E-01 4288 0.149E+00 0.288E+00
DAV: 4 -0.776053131238E+03 0.52945E-01 -0.83011E-01 4080 0.162E+00 0.161E+00
DAV: 5 -0.776043274264E+03 0.98570E-02 -0.53907E-01 4176 0.977E-01 0.129E+00
DAV: 6 -0.776004357852E+03 0.38916E-01 -0.22848E-01 4200 0.566E-01 0.644E-01
DAV: 7 -0.776007938854E+03 -0.35810E-02 -0.66209E-02 4312 0.534E-01 0.383E-01
DAV: 8 -0.776003615482E+03 0.43234E-02 -0.34774E-02 4192 0.327E-01 0.207E-01
DAV: 9 -0.776003224796E+03 0.39069E-03 -0.35908E-03 4072 0.110E-01 0.141E-01
DAV: 10 -0.776003177266E+03 0.47530E-04 -0.31243E-03 4128 0.111E-01 0.808E-02
DAV: 11 -0.776003241462E+03 -0.64196E-04 -0.89194E-04 4192 0.571E-02 0.615E-02
DAV: 12 -0.776003245031E+03 -0.35694E-05 -0.24716E-04 3992 0.306E-02 0.399E-02
DAV: 13 -0.776003293737E+03 -0.48706E-04 -0.22563E-04 4056 0.287E-02 0.189E-02
DAV: 14 -0.776003339088E+03 -0.45350E-04 -0.56330E-05 3792 0.135E-02 0.163E-02
DAV: 15 -0.776003382529E+03 -0.43442E-04 -0.11871E-05 2312 0.760E-03 0.127E-02
DAV: 16 -0.776003435770E+03 -0.53241E-04 -0.20683E-05 2624 0.992E-03 0.719E-03
DAV: 17 -0.776003472873E+03 -0.37103E-04 -0.13010E-05 2352 0.671E-03 0.591E-03
DAV: 18 -0.776003535993E+03 -0.63120E-04 -0.96474E-06 2528 0.600E-03 0.560E-03
DAV: 19 -0.776003575637E+03 -0.39643E-04 -0.66359E-06 2384 0.491E-03 0.500E-03
DAV: 20 -0.776003592273E+03 -0.16637E-04 -0.25386E-06 2248 0.333E-03 0.330E-03
DAV: 21 -0.776003621391E+03 -0.29118E-04 -0.41125E-06 2384 0.364E-03 0.193E-03
DAV: 22 -0.776003636027E+03 -0.14636E-04 -0.13823E-06 2264 0.194E-03 0.129E-03
DAV: 23 -0.776003652227E+03 -0.16200E-04 -0.14579E-06 2344 0.173E-03 0.109E-03
DAV: 24 -0.776003657118E+03 -0.48903E-05 -0.42852E-07 2152 0.111E-03
19 F= -.77600366E+03 E0= -.77600392E+03 d E =-.120482E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.775999424264E+03 0.42280E-02 -0.65794E+00 3640 0.480E+00 0.474E-01
DAV: 2 -0.776016360449E+03 -0.16936E-01 -0.18748E-01 3888 0.711E-01 0.283E-01
DAV: 3 -0.776015317674E+03 0.10428E-02 -0.33102E-03 4408 0.110E-01 0.200E-01
DAV: 4 -0.776016310900E+03 -0.99323E-03 -0.10577E-02 4288 0.130E-01 0.233E-01
DAV: 5 -0.776014749521E+03 0.15614E-02 -0.88575E-03 4384 0.117E-01 0.720E-02
DAV: 6 -0.776014720643E+03 0.28877E-04 -0.78010E-04 4016 0.462E-02 0.588E-02
DAV: 7 -0.776014695185E+03 0.25458E-04 -0.23042E-04 4152 0.316E-02 0.355E-02
DAV: 8 -0.776014691565E+03 0.36197E-05 -0.16300E-04 4072 0.231E-02 0.168E-02
DAV: 9 -0.776014692906E+03 -0.13406E-05 -0.32814E-05 2808 0.108E-02
20 F= -.77601469E+03 E0= -.77601495E+03 d E =-.121586E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.775675068525E+03 0.33962E+00 -0.51056E+02 3600 0.417E+01 0.466E+00
DAV: 2 -0.777229722824E+03 -0.15547E+01 -0.17297E+01 3840 0.650E+00 0.294E+00
DAV: 3 -0.777178733574E+03 0.50989E-01 -0.84983E-01 4256 0.140E+00 0.229E+00
DAV: 4 -0.777099025795E+03 0.79708E-01 -0.80413E-01 4144 0.979E-01 0.173E+00
DAV: 5 -0.777047548013E+03 0.51478E-01 -0.29232E-01 4048 0.103E+00 0.579E-01
DAV: 6 -0.777048490378E+03 -0.94237E-03 -0.77129E-02 3960 0.482E-01 0.401E-01
DAV: 7 -0.777047724783E+03 0.76560E-03 -0.21370E-02 4176 0.301E-01 0.204E-01
DAV: 8 -0.777048041031E+03 -0.31625E-03 -0.84548E-03 4104 0.172E-01 0.128E-01
DAV: 9 -0.777047870240E+03 0.17079E-03 -0.15535E-03 4104 0.761E-02 0.793E-02
DAV: 10 -0.777047843300E+03 0.26940E-04 -0.65472E-04 4016 0.466E-02 0.458E-02
DAV: 11 -0.777047890948E+03 -0.47648E-04 -0.33550E-04 4064 0.334E-02 0.367E-02
DAV: 12 -0.777047905100E+03 -0.14152E-04 -0.71622E-05 3832 0.181E-02 0.307E-02
DAV: 13 -0.777047919235E+03 -0.14135E-04 -0.10284E-04 3760 0.209E-02 0.152E-02
DAV: 14 -0.777047935775E+03 -0.16540E-04 -0.35640E-05 2928 0.109E-02 0.938E-03
DAV: 15 -0.777047953407E+03 -0.17632E-04 -0.74607E-06 2232 0.527E-03 0.737E-03
DAV: 16 -0.777047975898E+03 -0.22490E-04 -0.75623E-06 2280 0.581E-03 0.463E-03
DAV: 17 -0.777047999527E+03 -0.23629E-04 -0.11176E-05 2384 0.695E-03 0.544E-03
DAV: 18 -0.777048015820E+03 -0.16293E-04 -0.37803E-06 2248 0.398E-03 0.426E-03
DAV: 19 -0.777048036879E+03 -0.21059E-04 -0.40773E-06 2368 0.400E-03 0.275E-03
DAV: 20 -0.777048042814E+03 -0.59357E-05 -0.13930E-06 2072 0.240E-03
21 F= -.77704804E+03 E0= -.77704876E+03 d E =-.103335E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.777005267321E+03 0.42770E-01 -0.41044E+01 3600 0.118E+01 0.121E+00
DAV: 2 -0.777111262117E+03 -0.10599E+00 -0.11723E+00 3872 0.175E+00 0.719E-01
DAV: 3 -0.777109564329E+03 0.16978E-02 -0.69647E-02 4240 0.340E-01 0.620E-01
DAV: 4 -0.777103892781E+03 0.56715E-02 -0.63599E-02 4200 0.259E-01 0.448E-01
DAV: 5 -0.777099908073E+03 0.39847E-02 -0.20822E-02 4088 0.276E-01 0.128E-01
DAV: 6 -0.777100150497E+03 -0.24242E-03 -0.64537E-03 3992 0.133E-01 0.111E-01
DAV: 7 -0.777100034669E+03 0.11583E-03 -0.94891E-04 4048 0.625E-02 0.685E-02
DAV: 8 -0.777100050656E+03 -0.15988E-04 -0.77565E-04 4064 0.501E-02 0.386E-02
DAV: 9 -0.777100052683E+03 -0.20264E-05 -0.14431E-04 4160 0.222E-02 0.263E-02
DAV: 10 -0.777100049578E+03 0.31052E-05 -0.51092E-05 3456 0.144E-02
22 F= -.77710005E+03 E0= -.77710109E+03 d E =-.108536E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.776864511757E+03 0.23554E+00 -0.40756E+02 3600 0.368E+01 0.402E+00
DAV: 2 -0.778069027650E+03 -0.12045E+01 -0.13342E+01 3856 0.567E+00 0.257E+00
DAV: 3 -0.778037903867E+03 0.31124E-01 -0.76205E-01 4264 0.126E+00 0.199E+00
DAV: 4 -0.777964279660E+03 0.73624E-01 -0.54540E-01 4160 0.871E-01 0.143E+00
DAV: 5 -0.777928866206E+03 0.35413E-01 -0.19928E-01 4112 0.890E-01 0.489E-01
DAV: 6 -0.777929142622E+03 -0.27642E-03 -0.61595E-02 3968 0.422E-01 0.353E-01
DAV: 7 -0.777928212211E+03 0.93041E-03 -0.15988E-02 4040 0.250E-01 0.162E-01
DAV: 8 -0.777928703370E+03 -0.49116E-03 -0.69066E-03 4000 0.132E-01 0.103E-01
DAV: 9 -0.777928671561E+03 0.31809E-04 -0.66871E-04 4024 0.506E-02 0.690E-02
DAV: 10 -0.777928686233E+03 -0.14671E-04 -0.47278E-04 4120 0.464E-02 0.439E-02
DAV: 11 -0.777928733050E+03 -0.46817E-04 -0.40527E-04 4080 0.398E-02 0.425E-02
DAV: 12 -0.777928736294E+03 -0.32448E-05 -0.96945E-05 3888 0.191E-02
23 F= -.77792874E+03 E0= -.77793099E+03 d E =-.828687E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.777813032058E+03 0.11570E+00 -0.81173E+01 3600 0.164E+01 0.170E+00
DAV: 2 -0.778023501572E+03 -0.21047E+00 -0.23167E+00 3864 0.243E+00 0.100E+00
DAV: 3 -0.778021652718E+03 0.18489E-02 -0.15361E-01 4240 0.504E-01 0.855E-01
DAV: 4 -0.778008235656E+03 0.13417E-01 -0.10898E-01 4200 0.363E-01 0.586E-01
DAV: 5 -0.778001858130E+03 0.63775E-02 -0.36244E-02 4104 0.382E-01 0.192E-01
DAV: 6 -0.778002068458E+03 -0.21033E-03 -0.13474E-02 3992 0.191E-01 0.166E-01
DAV: 7 -0.778001821363E+03 0.24710E-03 -0.20143E-03 4024 0.890E-02 0.106E-01
DAV: 8 -0.778001850807E+03 -0.29444E-04 -0.18383E-03 4088 0.767E-02 0.552E-02
DAV: 9 -0.778001872407E+03 -0.21600E-04 -0.34310E-04 4120 0.346E-02 0.394E-02
DAV: 10 -0.778001871672E+03 0.73514E-06 -0.81843E-05 3872 0.202E-02
24 F= -.77800187E+03 E0= -.77800470E+03 d E =-.901822E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.777855243952E+03 0.14663E+00 -0.36897E+02 3600 0.344E+01 0.365E+00
DAV: 2 -0.778901464844E+03 -0.10462E+01 -0.11519E+01 3808 0.517E+00 0.230E+00
DAV: 3 -0.778851513816E+03 0.49951E-01 -0.41770E-01 4248 0.102E+00 0.169E+00
DAV: 4 -0.778833154447E+03 0.18359E-01 -0.47819E-01 4160 0.774E-01 0.143E+00
DAV: 5 -0.778789532374E+03 0.43622E-01 -0.24153E-01 4176 0.846E-01 0.475E-01
DAV: 6 -0.778789401623E+03 0.13075E-03 -0.54091E-02 3968 0.388E-01 0.325E-01
DAV: 7 -0.778789112563E+03 0.28906E-03 -0.14125E-02 4168 0.247E-01 0.168E-01
DAV: 8 -0.778789152999E+03 -0.40436E-04 -0.78972E-03 4112 0.150E-01 0.111E-01
DAV: 9 -0.778789038619E+03 0.11438E-03 -0.10021E-03 4048 0.585E-02 0.706E-02
DAV: 10 -0.778789049601E+03 -0.10982E-04 -0.46368E-04 4088 0.432E-02 0.410E-02
DAV: 11 -0.778789133944E+03 -0.84343E-04 -0.39179E-04 4048 0.363E-02 0.456E-02
DAV: 12 -0.778789140957E+03 -0.70131E-05 -0.58254E-05 3576 0.174E-02
25 F= -.77878914E+03 E0= -.77879210E+03 d E =-.787269E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.778603245373E+03 0.18589E+00 -0.13809E+02 3640 0.209E+01 0.211E+00
DAV: 2 -0.778950555906E+03 -0.34731E+00 -0.38521E+00 3808 0.304E+00 0.128E+00
DAV: 3 -0.778935138460E+03 0.15417E-01 -0.13740E-01 4240 0.567E-01 0.953E-01
DAV: 4 -0.778931039545E+03 0.40989E-02 -0.15727E-01 4224 0.452E-01 0.833E-01
DAV: 5 -0.778915627578E+03 0.15412E-01 -0.91981E-02 4208 0.513E-01 0.282E-01
DAV: 6 -0.778915403066E+03 0.22451E-03 -0.23827E-02 4024 0.253E-01 0.229E-01
DAV: 7 -0.778914849166E+03 0.55390E-03 -0.39688E-03 4040 0.129E-01 0.142E-01
DAV: 8 -0.778914863546E+03 -0.14380E-04 -0.34074E-03 4032 0.102E-01 0.716E-02
DAV: 9 -0.778914897204E+03 -0.33658E-04 -0.60673E-04 4160 0.455E-02 0.504E-02
DAV: 10 -0.778914903332E+03 -0.61280E-05 -0.19671E-04 3992 0.279E-02 0.315E-02
DAV: 11 -0.778914955275E+03 -0.51943E-04 -0.26606E-04 4104 0.322E-02 0.284E-02
DAV: 12 -0.778914976367E+03 -0.21092E-04 -0.47646E-05 3600 0.138E-02 0.227E-02
DAV: 13 -0.778914996569E+03 -0.20203E-04 -0.42118E-05 3320 0.133E-02 0.933E-03
DAV: 14 -0.778915011806E+03 -0.15237E-04 -0.15339E-05 2264 0.747E-03 0.470E-03
DAV: 15 -0.778915029657E+03 -0.17851E-04 -0.49544E-06 2216 0.407E-03 0.357E-03
DAV: 16 -0.778915063513E+03 -0.33856E-04 -0.31097E-06 2352 0.352E-03 0.269E-03
DAV: 17 -0.778915091628E+03 -0.28115E-04 -0.33140E-06 2288 0.333E-03 0.230E-03
DAV: 18 -0.778915104919E+03 -0.13292E-04 -0.13877E-06 2216 0.215E-03 0.172E-03
DAV: 19 -0.778915118124E+03 -0.13205E-04 -0.12661E-06 2256 0.191E-03 0.132E-03
DAV: 20 -0.778915122395E+03 -0.42707E-05 -0.41666E-07 1936 0.101E-03
26 F= -.77891512E+03 E0= -.77891810E+03 d E =-.913251E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.778914862256E+03 0.25587E-03 -0.29959E+02 3600 0.307E+01 0.319E+00
DAV: 2 -0.779725987102E+03 -0.81112E+00 -0.89809E+00 3800 0.454E+00 0.192E+00
DAV: 3 -0.779675219826E+03 0.50767E-01 -0.15747E-01 4232 0.753E-01 0.133E+00
DAV: 4 -0.779681620133E+03 -0.64003E-02 -0.31110E-01 4152 0.799E-01 0.117E+00
DAV: 5 -0.779651890359E+03 0.29730E-01 -0.25638E-01 4216 0.662E-01 0.560E-01
DAV: 6 -0.779645732448E+03 0.61579E-02 -0.38915E-02 4120 0.302E-01 0.338E-01
DAV: 7 -0.779645345969E+03 0.38648E-03 -0.13016E-02 4256 0.238E-01 0.193E-01
DAV: 8 -0.779644827739E+03 0.51823E-03 -0.85891E-03 4080 0.154E-01 0.105E-01
DAV: 9 -0.779644907068E+03 -0.79329E-04 -0.15782E-03 4024 0.663E-02 0.837E-02
DAV: 10 -0.779644873216E+03 0.33851E-04 -0.50501E-04 4112 0.460E-02 0.527E-02
DAV: 11 -0.779644931020E+03 -0.57804E-04 -0.42717E-04 4024 0.395E-02 0.383E-02
DAV: 12 -0.779644958226E+03 -0.27205E-04 -0.85280E-05 3992 0.182E-02 0.263E-02
DAV: 13 -0.779644981289E+03 -0.23063E-04 -0.47117E-05 3448 0.141E-02 0.143E-02
DAV: 14 -0.779645001770E+03 -0.20482E-04 -0.33733E-05 3176 0.110E-02 0.751E-03
DAV: 15 -0.779645017825E+03 -0.16055E-04 -0.61298E-06 2264 0.433E-03 0.603E-03
DAV: 16 -0.779645052901E+03 -0.35076E-04 -0.38336E-06 2376 0.428E-03 0.352E-03
DAV: 17 -0.779645079508E+03 -0.26607E-04 -0.39486E-06 2376 0.361E-03 0.251E-03
DAV: 18 -0.779645095920E+03 -0.16412E-04 -0.16896E-06 2304 0.248E-03 0.172E-03
DAV: 19 -0.779645107647E+03 -0.11727E-04 -0.10701E-06 2288 0.179E-03 0.131E-03
DAV: 20 -0.779645112402E+03 -0.47548E-05 -0.33809E-07 2000 0.968E-04
27 F= -.77964511E+03 E0= -.77964793E+03 d E =-.729990E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.779014884694E+03 0.63022E+00 -0.35866E+02 3600 0.334E+01 0.355E+00
DAV: 2 -0.780005191330E+03 -0.99031E+00 -0.11063E+01 3816 0.498E+00 0.216E+00
DAV: 3 -0.779940469956E+03 0.64721E-01 -0.20637E-01 4256 0.856E-01 0.149E+00
DAV: 4 -0.779950262848E+03 -0.97929E-02 -0.41186E-01 4136 0.891E-01 0.134E+00
DAV: 5 -0.779910825409E+03 0.39437E-01 -0.30553E-01 4224 0.766E-01 0.621E-01
DAV: 6 -0.779903749490E+03 0.70759E-02 -0.50633E-02 4120 0.347E-01 0.402E-01
DAV: 7 -0.779902830127E+03 0.91936E-03 -0.17396E-02 4184 0.266E-01 0.220E-01
DAV: 8 -0.779902203359E+03 0.62677E-03 -0.11363E-02 4096 0.176E-01 0.118E-01
DAV: 9 -0.779902307157E+03 -0.10380E-03 -0.22866E-03 3992 0.787E-02 0.942E-02
DAV: 10 -0.779902266804E+03 0.40353E-04 -0.64642E-04 4152 0.518E-02 0.586E-02
DAV: 11 -0.779902341582E+03 -0.74778E-04 -0.56202E-04 4016 0.453E-02 0.434E-02
DAV: 12 -0.779902376164E+03 -0.34582E-04 -0.11290E-04 3992 0.207E-02 0.308E-02
DAV: 13 -0.779902406397E+03 -0.30233E-04 -0.61704E-05 3664 0.162E-02 0.167E-02
DAV: 14 -0.779902434540E+03 -0.28142E-04 -0.47304E-05 3688 0.126E-02 0.855E-03
DAV: 15 -0.779902454063E+03 -0.19523E-04 -0.63992E-06 2272 0.458E-03 0.642E-03
DAV: 16 -0.779902497626E+03 -0.43563E-04 -0.51454E-06 2440 0.477E-03 0.369E-03
DAV: 17 -0.779902533901E+03 -0.36275E-04 -0.42238E-06 2376 0.362E-03 0.259E-03
DAV: 18 -0.779902557703E+03 -0.23802E-04 -0.21803E-06 2384 0.265E-03 0.177E-03
DAV: 19 -0.779902572783E+03 -0.15080E-04 -0.12228E-06 2312 0.195E-03 0.134E-03
DAV: 20 -0.779902579947E+03 -0.71646E-05 -0.48967E-07 2120 0.111E-03
28 F= -.77990258E+03 E0= -.77990576E+03 d E =-.987458E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.779766084260E+03 0.13649E+00 -0.34237E+02 3600 0.326E+01 0.344E+00
DAV: 2 -0.780696258222E+03 -0.93017E+00 -0.10435E+01 3832 0.485E+00 0.207E+00
DAV: 3 -0.780635797732E+03 0.60460E-01 -0.18936E-01 4232 0.831E-01 0.143E+00
DAV: 4 -0.780644958476E+03 -0.91607E-02 -0.36999E-01 4224 0.882E-01 0.126E+00
DAV: 5 -0.780608947208E+03 0.36011E-01 -0.28157E-01 4232 0.747E-01 0.623E-01
DAV: 6 -0.780602376261E+03 0.65709E-02 -0.42565E-02 4088 0.318E-01 0.421E-01
DAV: 7 -0.780601408635E+03 0.96763E-03 -0.16469E-02 4208 0.266E-01 0.219E-01
DAV: 8 -0.780600809358E+03 0.59928E-03 -0.11000E-02 4120 0.178E-01 0.120E-01
DAV: 9 -0.780600880588E+03 -0.71231E-04 -0.23476E-03 3952 0.786E-02 0.920E-02
DAV: 10 -0.780600846108E+03 0.34481E-04 -0.60291E-04 4136 0.505E-02 0.574E-02
DAV: 11 -0.780600926143E+03 -0.80035E-04 -0.51283E-04 4104 0.443E-02 0.405E-02
DAV: 12 -0.780600956558E+03 -0.30415E-04 -0.13491E-04 4072 0.210E-02 0.306E-02
DAV: 13 -0.780600985341E+03 -0.28784E-04 -0.39572E-05 3384 0.140E-02 0.198E-02
DAV: 14 -0.780601021180E+03 -0.35838E-04 -0.65474E-05 3816 0.146E-02 0.711E-03
DAV: 15 -0.780601039358E+03 -0.18179E-04 -0.54617E-06 2248 0.477E-03 0.521E-03
DAV: 16 -0.780601078874E+03 -0.39516E-04 -0.48813E-06 2360 0.416E-03 0.325E-03
DAV: 17 -0.780601108865E+03 -0.29991E-04 -0.23811E-06 2328 0.248E-03 0.244E-03
DAV: 18 -0.780601131867E+03 -0.23002E-04 -0.13826E-06 2336 0.172E-03 0.178E-03
DAV: 19 -0.780601153261E+03 -0.21394E-04 -0.12633E-06 2312 0.196E-03 0.135E-03
DAV: 20 -0.780601165159E+03 -0.11899E-04 -0.82205E-07 2280 0.142E-03 0.141E-03
DAV: 21 -0.780601176265E+03 -0.11105E-04 -0.56648E-07 2272 0.132E-03 0.871E-04
DAV: 22 -0.780601186609E+03 -0.10345E-04 -0.86318E-07 2288 0.150E-03 0.116E-03
DAV: 23 -0.780601192891E+03 -0.62822E-05 -0.39319E-07 2272 0.113E-03
29 F= -.78060119E+03 E0= -.78060593E+03 d E =-.698613E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.779814354319E+03 0.78683E+00 -0.41305E+02 3600 0.357E+01 0.387E+00
DAV: 2 -0.780979718530E+03 -0.11654E+01 -0.13069E+01 3832 0.536E+00 0.236E+00
DAV: 3 -0.780902869988E+03 0.76849E-01 -0.25259E-01 4216 0.961E-01 0.163E+00
DAV: 4 -0.780918151335E+03 -0.15281E-01 -0.50513E-01 4224 0.970E-01 0.146E+00
DAV: 5 -0.780867133340E+03 0.51018E-01 -0.35539E-01 4256 0.884E-01 0.695E-01
DAV: 6 -0.780860595243E+03 0.65381E-02 -0.53084E-02 4016 0.363E-01 0.503E-01
DAV: 7 -0.780858528775E+03 0.20665E-02 -0.22950E-02 4200 0.312E-01 0.224E-01
DAV: 8 -0.780858307071E+03 0.22170E-03 -0.12670E-02 4192 0.195E-01 0.136E-01
DAV: 9 -0.780858218668E+03 0.88403E-04 -0.27598E-03 3968 0.857E-02 0.949E-02
DAV: 10 -0.780858214390E+03 0.42788E-05 -0.68394E-04 4168 0.535E-02 0.580E-02
DAV: 11 -0.780858313384E+03 -0.98994E-04 -0.64974E-04 4136 0.493E-02 0.444E-02
DAV: 12 -0.780858331523E+03 -0.18140E-04 -0.16741E-04 4024 0.223E-02 0.364E-02
DAV: 13 -0.780858365931E+03 -0.34407E-04 -0.59455E-05 3544 0.173E-02 0.230E-02
DAV: 14 -0.780858408722E+03 -0.42791E-04 -0.70628E-05 3880 0.149E-02 0.903E-03
DAV: 15 -0.780858429248E+03 -0.20526E-04 -0.85938E-06 2272 0.562E-03 0.536E-03
DAV: 16 -0.780858468359E+03 -0.39110E-04 -0.67086E-06 2368 0.488E-03 0.333E-03
DAV: 17 -0.780858507776E+03 -0.39418E-04 -0.38077E-06 2368 0.312E-03 0.289E-03
DAV: 18 -0.780858540532E+03 -0.32756E-04 -0.21297E-06 2384 0.212E-03 0.227E-03
DAV: 19 -0.780858564563E+03 -0.24031E-04 -0.17395E-06 2344 0.236E-03 0.174E-03
DAV: 20 -0.780858579768E+03 -0.15204E-04 -0.13435E-06 2352 0.189E-03 0.177E-03
DAV: 21 -0.780858591560E+03 -0.11793E-04 -0.85578E-07 2272 0.156E-03 0.125E-03
DAV: 22 -0.780858600747E+03 -0.91867E-05 -0.82217E-07 2264 0.143E-03
30 F= -.78085860E+03 E0= -.78086563E+03 d E =-.956021E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.780613021920E+03 0.24557E+00 -0.36648E+02 3600 0.336E+01 0.364E+00
DAV: 2 -0.781612472113E+03 -0.99945E+00 -0.11303E+01 3888 0.504E+00 0.228E+00
DAV: 3 -0.781553268197E+03 0.59204E-01 -0.37289E-01 4224 0.105E+00 0.163E+00
DAV: 4 -0.781536218288E+03 0.17050E-01 -0.34757E-01 4184 0.791E-01 0.129E+00
DAV: 5 -0.781501611754E+03 0.34607E-01 -0.26627E-01 4184 0.895E-01 0.539E-01
DAV: 6 -0.781499327465E+03 0.22843E-02 -0.50224E-02 3920 0.378E-01 0.403E-01
DAV: 7 -0.781498407853E+03 0.91961E-03 -0.22801E-02 4272 0.294E-01 0.159E-01
DAV: 8 -0.781498636302E+03 -0.22845E-03 -0.68829E-03 4200 0.149E-01 0.112E-01
DAV: 9 -0.781498459832E+03 0.17647E-03 -0.99602E-04 4152 0.620E-02 0.681E-02
DAV: 10 -0.781498504626E+03 -0.44795E-04 -0.47669E-04 4192 0.431E-02 0.391E-02
DAV: 11 -0.781498580307E+03 -0.75680E-04 -0.29178E-04 4320 0.325E-02 0.399E-02
DAV: 12 -0.781498590474E+03 -0.10167E-04 -0.86131E-05 3832 0.173E-02 0.317E-02
DAV: 13 -0.781498615717E+03 -0.25243E-04 -0.80525E-05 3680 0.179E-02 0.145E-02
DAV: 14 -0.781498639319E+03 -0.23602E-04 -0.28206E-05 2784 0.937E-03 0.837E-03
DAV: 15 -0.781498656846E+03 -0.17527E-04 -0.66245E-06 2184 0.510E-03 0.486E-03
DAV: 16 -0.781498688654E+03 -0.31808E-04 -0.89555E-06 2328 0.612E-03 0.315E-03
DAV: 17 -0.781498714760E+03 -0.26107E-04 -0.45296E-06 2336 0.342E-03 0.378E-03
DAV: 18 -0.781498732628E+03 -0.17868E-04 -0.12902E-06 2288 0.206E-03 0.303E-03
DAV: 19 -0.781498748463E+03 -0.15835E-04 -0.17552E-06 2296 0.256E-03 0.193E-03
DAV: 20 -0.781498761908E+03 -0.13445E-04 -0.12471E-06 2248 0.195E-03 0.135E-03
DAV: 21 -0.781498775391E+03 -0.13484E-04 -0.11605E-06 2296 0.164E-03 0.141E-03
DAV: 22 -0.781498781672E+03 -0.62811E-05 -0.51034E-07 2208 0.978E-04
31 F= -.78149878E+03 E0= -.78150959E+03 d E =-.640181E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.781346107992E+03 0.15267E+00 -0.11660E+02 3680 0.190E+01 0.193E+00
DAV: 2 -0.781623098473E+03 -0.27699E+00 -0.31147E+00 3872 0.273E+00 0.113E+00
DAV: 3 -0.781609251013E+03 0.13847E-01 -0.98857E-02 4232 0.525E-01 0.830E-01
DAV: 4 -0.781605756532E+03 0.34945E-02 -0.10010E-01 4288 0.426E-01 0.678E-01
DAV: 5 -0.781595250518E+03 0.10506E-01 -0.81466E-02 4136 0.491E-01 0.276E-01
DAV: 6 -0.781595043003E+03 0.20751E-03 -0.15112E-02 3912 0.204E-01 0.243E-01
DAV: 7 -0.781594477659E+03 0.56534E-03 -0.50124E-03 4232 0.140E-01 0.101E-01
DAV: 8 -0.781594569196E+03 -0.91536E-04 -0.21531E-03 4256 0.812E-02 0.639E-02
DAV: 9 -0.781594539161E+03 0.30035E-04 -0.46310E-04 4160 0.400E-02 0.403E-02
DAV: 10 -0.781594559446E+03 -0.20285E-04 -0.15145E-04 4128 0.249E-02 0.292E-02
DAV: 11 -0.781594577327E+03 -0.17881E-04 -0.13337E-04 4064 0.231E-02 0.213E-02
DAV: 12 -0.781594581577E+03 -0.42500E-05 -0.36631E-05 2952 0.105E-02
32 F= -.78159458E+03 E0= -.78160782E+03 d E =-.735981E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.781565417397E+03 0.29160E-01 -0.23979E+02 3680 0.277E+01 0.292E+00
DAV: 2 -0.782189407193E+03 -0.62399E+00 -0.69286E+00 3896 0.410E+00 0.179E+00
DAV: 3 -0.782160003099E+03 0.29404E-01 -0.36211E-01 4240 0.934E-01 0.131E+00
DAV: 4 -0.782132377064E+03 0.27626E-01 -0.18598E-01 4144 0.637E-01 0.926E-01
DAV: 5 -0.782115526208E+03 0.16851E-01 -0.10796E-01 4080 0.639E-01 0.321E-01
DAV: 6 -0.782115837159E+03 -0.31095E-03 -0.28632E-02 3952 0.290E-01 0.235E-01
DAV: 7 -0.782115764083E+03 0.73076E-04 -0.11345E-02 4056 0.187E-01 0.111E-01
DAV: 8 -0.782115875149E+03 -0.11107E-03 -0.26446E-03 4056 0.771E-02 0.750E-02
DAV: 9 -0.782115886389E+03 -0.11240E-04 -0.40557E-04 4096 0.372E-02 0.484E-02
DAV: 10 -0.782115925842E+03 -0.39453E-04 -0.23154E-04 4184 0.323E-02 0.314E-02
DAV: 11 -0.782115967258E+03 -0.41417E-04 -0.10776E-04 4016 0.193E-02 0.252E-02
DAV: 12 -0.782115985105E+03 -0.17847E-04 -0.20327E-05 2504 0.113E-02 0.189E-02
DAV: 13 -0.782116012425E+03 -0.27320E-04 -0.67031E-05 3664 0.159E-02 0.107E-02
DAV: 14 -0.782116022863E+03 -0.10438E-04 -0.13087E-05 2152 0.704E-03 0.762E-03
DAV: 15 -0.782116041154E+03 -0.18291E-04 -0.75149E-06 2224 0.558E-03 0.438E-03
DAV: 16 -0.782116062724E+03 -0.21570E-04 -0.53775E-06 2264 0.521E-03 0.361E-03
DAV: 17 -0.782116080358E+03 -0.17634E-04 -0.43528E-06 2240 0.369E-03 0.408E-03
DAV: 18 -0.782116091778E+03 -0.11420E-04 -0.14877E-06 2128 0.242E-03 0.296E-03
DAV: 19 -0.782116101284E+03 -0.95066E-05 -0.20006E-06 2168 0.297E-03
33 F= -.78211610E+03 E0= -.78213366E+03 d E =-.521520E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.781887841298E+03 0.22825E+00 -0.17065E+02 3720 0.234E+01 0.242E+00
DAV: 2 -0.782312090156E+03 -0.42425E+00 -0.47283E+00 3896 0.341E+00 0.144E+00
DAV: 3 -0.782290027060E+03 0.22063E-01 -0.20299E-01 4232 0.733E-01 0.104E+00
DAV: 4 -0.782276425666E+03 0.13601E-01 -0.12548E-01 4200 0.529E-01 0.757E-01
DAV: 5 -0.782263896957E+03 0.12529E-01 -0.84377E-02 4088 0.551E-01 0.270E-01
DAV: 6 -0.782263993935E+03 -0.96978E-04 -0.18766E-02 3904 0.241E-01 0.209E-01
DAV: 7 -0.782263916111E+03 0.77824E-04 -0.80612E-03 4160 0.160E-01 0.888E-02
DAV: 8 -0.782263986998E+03 -0.70887E-04 -0.14322E-03 4088 0.601E-02 0.613E-02
DAV: 9 -0.782263988456E+03 -0.14581E-05 -0.27922E-04 4000 0.299E-02 0.347E-02
DAV: 10 -0.782264031804E+03 -0.43348E-04 -0.14207E-04 4128 0.216E-02 0.239E-02
DAV: 11 -0.782264051371E+03 -0.19567E-04 -0.23165E-05 2560 0.110E-02 0.214E-02
DAV: 12 -0.782264063057E+03 -0.11686E-04 -0.30243E-05 3064 0.111E-02 0.130E-02
DAV: 13 -0.782264073298E+03 -0.10241E-04 -0.16249E-05 2168 0.823E-03 0.692E-03
DAV: 14 -0.782264083868E+03 -0.10570E-04 -0.75187E-06 2160 0.514E-03 0.494E-03
DAV: 15 -0.782264099027E+03 -0.15159E-04 -0.58065E-06 2256 0.507E-03 0.424E-03
DAV: 16 -0.782264111990E+03 -0.12964E-04 -0.43728E-06 2176 0.401E-03 0.415E-03
DAV: 17 -0.782264118349E+03 -0.63592E-05 -0.16074E-06 1944 0.241E-03
34 F= -.78226412E+03 E0= -.78228560E+03 d E =-.669537E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.782188760143E+03 0.75352E-01 -0.23794E+02 3712 0.279E+01 0.291E+00
DAV: 2 -0.782808230859E+03 -0.61947E+00 -0.68930E+00 3904 0.413E+00 0.172E+00
DAV: 3 -0.782772848166E+03 0.35383E-01 -0.25697E-01 4240 0.872E-01 0.120E+00
DAV: 4 -0.782757280307E+03 0.15568E-01 -0.15565E-01 4192 0.628E-01 0.860E-01
DAV: 5 -0.782740847763E+03 0.16433E-01 -0.10800E-01 4136 0.627E-01 0.320E-01
DAV: 6 -0.782740783279E+03 0.64485E-04 -0.23304E-02 3904 0.274E-01 0.236E-01
DAV: 7 -0.782740863136E+03 -0.79857E-04 -0.11130E-02 4224 0.189E-01 0.112E-01
DAV: 8 -0.782740883963E+03 -0.20827E-04 -0.16049E-03 4136 0.732E-02 0.740E-02
DAV: 9 -0.782740905890E+03 -0.21927E-04 -0.49985E-04 4088 0.436E-02 0.450E-02
DAV: 10 -0.782740951083E+03 -0.45193E-04 -0.17602E-04 4160 0.258E-02 0.343E-02
DAV: 11 -0.782740968534E+03 -0.17451E-04 -0.58164E-05 3584 0.139E-02 0.287E-02
DAV: 12 -0.782740973653E+03 -0.51188E-05 -0.27583E-05 2600 0.127E-02
35 F= -.78274097E+03 E0= -.78276768E+03 d E =-.476855E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.781988113872E+03 0.75285E+00 -0.38432E+02 3640 0.355E+01 0.381E+00
DAV: 2 -0.783049437068E+03 -0.10613E+01 -0.11882E+01 3904 0.536E+00 0.224E+00
DAV: 3 -0.782978111358E+03 0.71326E-01 -0.28873E-01 4232 0.105E+00 0.153E+00
DAV: 4 -0.782966604393E+03 0.11507E-01 -0.28097E-01 4224 0.869E-01 0.101E+00
DAV: 5 -0.782940603580E+03 0.26001E-01 -0.19829E-01 4312 0.786E-01 0.506E-01
DAV: 6 -0.782937841833E+03 0.27617E-02 -0.34738E-02 3976 0.341E-01 0.354E-01
DAV: 7 -0.782937788956E+03 0.52877E-04 -0.22809E-02 4208 0.270E-01 0.147E-01
DAV: 8 -0.782937875314E+03 -0.86358E-04 -0.32938E-03 4200 0.103E-01 0.988E-02
DAV: 9 -0.782937835427E+03 0.39887E-04 -0.84222E-04 4320 0.640E-02 0.598E-02
DAV: 10 -0.782937922965E+03 -0.87539E-04 -0.61969E-04 4136 0.471E-02 0.488E-02
DAV: 11 -0.782937970489E+03 -0.47524E-04 -0.20389E-04 4024 0.253E-02 0.490E-02
DAV: 12 -0.782937976472E+03 -0.59828E-05 -0.81781E-05 3792 0.200E-02
36 F= -.78293798E+03 E0= -.78297108E+03 d E =-.673858E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.782581646147E+03 0.35632E+00 -0.33948E+02 3600 0.334E+01 0.351E+00
DAV: 2 -0.783486408207E+03 -0.90476E+00 -0.10106E+01 3888 0.496E+00 0.202E+00
DAV: 3 -0.783428013376E+03 0.58395E-01 -0.17914E-01 4256 0.868E-01 0.138E+00
DAV: 4 -0.783416278537E+03 0.11735E-01 -0.26695E-01 4232 0.912E-01 0.743E-01
DAV: 5 -0.783403023301E+03 0.13255E-01 -0.11609E-01 4184 0.557E-01 0.497E-01
DAV: 6 -0.783399944233E+03 0.30791E-02 -0.16596E-02 4168 0.260E-01 0.335E-01
DAV: 7 -0.783399945277E+03 -0.10435E-05 -0.19375E-02 4160 0.250E-01 0.130E-01
DAV: 8 -0.783399858720E+03 0.86556E-04 -0.19030E-03 4224 0.869E-02 0.948E-02
DAV: 9 -0.783399886940E+03 -0.28220E-04 -0.10352E-03 4240 0.620E-02 0.573E-02
DAV: 10 -0.783399941347E+03 -0.54407E-04 -0.58133E-04 4240 0.485E-02 0.524E-02
DAV: 11 -0.783399959205E+03 -0.17859E-04 -0.13870E-04 4016 0.220E-02 0.479E-02
DAV: 12 -0.783399959412E+03 -0.20696E-06 -0.11699E-04 3968 0.224E-02 0.244E-02
DAV: 13 -0.783399971896E+03 -0.12483E-04 -0.53528E-05 3696 0.135E-02 0.991E-03
DAV: 14 -0.783399987857E+03 -0.15962E-04 -0.14286E-05 2216 0.791E-03 0.481E-03
DAV: 15 -0.783400006904E+03 -0.19047E-04 -0.81842E-06 2320 0.518E-03 0.523E-03
DAV: 16 -0.783400019590E+03 -0.12686E-04 -0.22079E-06 2168 0.302E-03 0.396E-03
DAV: 17 -0.783400037964E+03 -0.18374E-04 -0.45138E-06 2400 0.471E-03 0.233E-03
DAV: 18 -0.783400045611E+03 -0.76470E-05 -0.20394E-06 2120 0.247E-03
37 F= -.78340005E+03 E0= -.78343865E+03 d E =-.462069E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.783098249801E+03 0.30179E+00 -0.17605E+02 3648 0.240E+01 0.244E+00
DAV: 2 -0.783534799003E+03 -0.43655E+00 -0.48509E+00 3864 0.348E+00 0.135E+00
DAV: 3 -0.783508836586E+03 0.25962E-01 -0.73351E-02 4280 0.548E-01 0.924E-01
DAV: 4 -0.783500213614E+03 0.86230E-02 -0.13217E-01 4240 0.706E-01 0.463E-01
DAV: 5 -0.783497957661E+03 0.22560E-02 -0.39162E-02 4088 0.321E-01 0.380E-01
DAV: 6 -0.783496705727E+03 0.12519E-02 -0.70512E-03 4096 0.161E-01 0.243E-01
DAV: 7 -0.783496328490E+03 0.37724E-03 -0.72736E-03 4120 0.158E-01 0.887E-02
DAV: 8 -0.783496425372E+03 -0.96882E-04 -0.16593E-03 4088 0.710E-02 0.775E-02
DAV: 9 -0.783496414075E+03 0.11296E-04 -0.37736E-04 4144 0.397E-02 0.604E-02
DAV: 10 -0.783496411197E+03 0.28782E-05 -0.52355E-04 4160 0.464E-02 0.317E-02
DAV: 11 -0.783496424747E+03 -0.13550E-04 -0.10938E-04 4000 0.196E-02 0.228E-02
DAV: 12 -0.783496439996E+03 -0.15249E-04 -0.56780E-05 3576 0.149E-02 0.106E-02
DAV: 13 -0.783496452077E+03 -0.12081E-04 -0.15421E-05 2416 0.740E-03 0.579E-03
DAV: 14 -0.783496467374E+03 -0.15297E-04 -0.46846E-06 2272 0.403E-03 0.448E-03
DAV: 15 -0.783496477223E+03 -0.98491E-05 -0.20437E-06 2128 0.272E-03
38 F= -.78349648E+03 E0= -.78353678E+03 d E =-.558501E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.783137474340E+03 0.35899E+00 -0.36161E+02 3600 0.346E+01 0.369E+00
DAV: 2 -0.784109561638E+03 -0.97209E+00 -0.10934E+01 3880 0.518E+00 0.212E+00
DAV: 3 -0.784043948133E+03 0.65614E-01 -0.16306E-01 4280 0.864E-01 0.145E+00
DAV: 4 -0.784022629695E+03 0.21318E-01 -0.35262E-01 4160 0.114E+00 0.733E-01
DAV: 5 -0.784017871913E+03 0.47578E-02 -0.76108E-02 4104 0.472E-01 0.589E-01
DAV: 6 -0.784015447638E+03 0.24243E-02 -0.21918E-02 4128 0.284E-01 0.329E-01
DAV: 7 -0.784014667146E+03 0.78049E-03 -0.13602E-02 4168 0.212E-01 0.142E-01
DAV: 8 -0.784014771096E+03 -0.10395E-03 -0.45024E-03 4024 0.119E-01 0.118E-01
DAV: 9 -0.784014746311E+03 0.24785E-04 -0.10374E-03 4016 0.619E-02 0.962E-02
DAV: 10 -0.784014719399E+03 0.26911E-04 -0.13356E-03 4168 0.748E-02 0.491E-02
DAV: 11 -0.784014734236E+03 -0.14837E-04 -0.24556E-04 4000 0.314E-02 0.328E-02
DAV: 12 -0.784014781535E+03 -0.47299E-04 -0.22863E-04 4168 0.279E-02 0.165E-02
DAV: 13 -0.784014806901E+03 -0.25366E-04 -0.26381E-05 2744 0.106E-02 0.125E-02
DAV: 14 -0.784014842387E+03 -0.35485E-04 -0.16369E-05 2520 0.825E-03 0.777E-03
DAV: 15 -0.784014863656E+03 -0.21269E-04 -0.94538E-06 2264 0.637E-03 0.547E-03
DAV: 16 -0.784014885408E+03 -0.21752E-04 -0.65899E-06 2368 0.470E-03 0.555E-03
DAV: 17 -0.784014917110E+03 -0.31702E-04 -0.41280E-06 2488 0.361E-03 0.477E-03
DAV: 18 -0.784014940807E+03 -0.23697E-04 -0.38538E-06 2408 0.453E-03 0.341E-03
DAV: 19 -0.784014948545E+03 -0.77374E-05 -0.26610E-06 2032 0.286E-03
39 F= -.78401495E+03 E0= -.78405113E+03 d E =-.518471E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.783929888030E+03 0.85053E-01 -0.62843E+01 3600 0.144E+01 0.146E+00
DAV: 2 -0.784079596280E+03 -0.14971E+00 -0.16786E+00 3896 0.208E+00 0.793E-01
DAV: 3 -0.784070719135E+03 0.88771E-02 -0.24018E-02 4344 0.316E-01 0.543E-01
DAV: 4 -0.784066793682E+03 0.39255E-02 -0.42748E-02 4272 0.436E-01 0.243E-01
DAV: 5 -0.784066791561E+03 0.21213E-05 -0.10998E-02 3976 0.186E-01 0.225E-01
DAV: 6 -0.784066397013E+03 0.39455E-03 -0.29689E-03 4192 0.104E-01 0.118E-01
DAV: 7 -0.784066339324E+03 0.57690E-04 -0.17135E-03 4144 0.786E-02 0.543E-02
DAV: 8 -0.784066375558E+03 -0.36234E-04 -0.53308E-04 3952 0.411E-02 0.459E-02
DAV: 9 -0.784066374244E+03 0.13141E-05 -0.91203E-05 4040 0.219E-02
40 F= -.78406637E+03 E0= -.78410048E+03 d E =-.569897E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.784007753244E+03 0.58622E-01 -0.16677E+02 3600 0.236E+01 0.249E+00
DAV: 2 -0.784443249943E+03 -0.43550E+00 -0.48589E+00 3920 0.351E+00 0.144E+00
DAV: 3 -0.784416364158E+03 0.26886E-01 -0.71026E-02 4304 0.566E-01 0.989E-01
DAV: 4 -0.784407803566E+03 0.85606E-02 -0.13564E-01 4200 0.749E-01 0.487E-01
DAV: 5 -0.784404385525E+03 0.34180E-02 -0.43343E-02 4176 0.357E-01 0.401E-01
DAV: 6 -0.784402939914E+03 0.14456E-02 -0.73754E-03 4120 0.170E-01 0.273E-01
DAV: 7 -0.784402401819E+03 0.53809E-03 -0.92214E-03 4160 0.179E-01 0.946E-02
DAV: 8 -0.784402496346E+03 -0.94527E-04 -0.18354E-03 4080 0.768E-02 0.774E-02
DAV: 9 -0.784402491070E+03 0.52767E-05 -0.41630E-04 4096 0.402E-02 0.611E-02
DAV: 10 -0.784402486010E+03 0.50593E-05 -0.44299E-04 4320 0.444E-02 0.303E-02
DAV: 11 -0.784402508048E+03 -0.22038E-04 -0.14039E-04 3960 0.214E-02 0.226E-02
DAV: 12 -0.784402536057E+03 -0.28009E-04 -0.53207E-05 3608 0.146E-02 0.110E-02
DAV: 13 -0.784402550921E+03 -0.14864E-04 -0.14913E-05 2512 0.769E-03 0.645E-03
DAV: 14 -0.784402571925E+03 -0.21004E-04 -0.67371E-06 2440 0.495E-03 0.411E-03
DAV: 15 -0.784402589702E+03 -0.17777E-04 -0.32821E-06 2352 0.346E-03 0.283E-03
DAV: 16 -0.784402603075E+03 -0.13373E-04 -0.22747E-06 2376 0.272E-03 0.246E-03
DAV: 17 -0.784402617693E+03 -0.14619E-04 -0.16099E-06 2336 0.250E-03 0.207E-03
DAV: 18 -0.784402627275E+03 -0.95812E-05 -0.11840E-06 2328 0.188E-03
41 F= -.78440263E+03 E0= -.78443443E+03 d E =-.336253E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.784395033574E+03 0.75841E-02 -0.92698E+00 3640 0.557E+00 0.569E-01
DAV: 2 -0.784417379788E+03 -0.22346E-01 -0.25070E-01 3896 0.809E-01 0.322E-01
DAV: 3 -0.784416041664E+03 0.13381E-02 -0.36996E-03 4336 0.123E-01 0.221E-01
DAV: 4 -0.784415452754E+03 0.58891E-03 -0.63722E-03 4312 0.170E-01 0.976E-02
DAV: 5 -0.784415421047E+03 0.31706E-04 -0.19591E-03 4096 0.774E-02 0.919E-02
DAV: 6 -0.784415360927E+03 0.60120E-04 -0.35900E-04 4072 0.346E-02 0.622E-02
DAV: 7 -0.784415326638E+03 0.34290E-04 -0.44120E-04 4208 0.409E-02 0.215E-02
DAV: 8 -0.784415335215E+03 -0.85777E-05 -0.12351E-04 3960 0.194E-02 0.179E-02
DAV: 9 -0.784415335869E+03 -0.65395E-06 -0.16614E-05 2296 0.854E-03
42 F= -.78441534E+03 E0= -.78444667E+03 d E =-.348962E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.784328195872E+03 0.87139E-01 -0.18200E+02 3600 0.248E+01 0.257E+00
DAV: 2 -0.784808081254E+03 -0.47989E+00 -0.52990E+00 3920 0.369E+00 0.144E+00
DAV: 3 -0.784779213997E+03 0.28867E-01 -0.74461E-02 4336 0.597E-01 0.983E-01
DAV: 4 -0.784778035854E+03 0.11781E-02 -0.12428E-01 4192 0.659E-01 0.595E-01
DAV: 5 -0.784764768652E+03 0.13267E-01 -0.59072E-02 4232 0.442E-01 0.321E-01
DAV: 6 -0.784763767415E+03 0.10012E-02 -0.84171E-03 4008 0.186E-01 0.241E-01
DAV: 7 -0.784763740641E+03 0.26774E-04 -0.10108E-02 4184 0.190E-01 0.111E-01
DAV: 8 -0.784763707627E+03 0.33014E-04 -0.14029E-03 4224 0.725E-02 0.742E-02
DAV: 9 -0.784763680169E+03 0.27457E-04 -0.34273E-04 4288 0.435E-02 0.445E-02
DAV: 10 -0.784763715219E+03 -0.35049E-04 -0.32087E-04 4080 0.350E-02 0.328E-02
DAV: 11 -0.784763741317E+03 -0.26098E-04 -0.13052E-04 4056 0.202E-02 0.341E-02
DAV: 12 -0.784763741894E+03 -0.57731E-06 -0.29874E-05 3112 0.138E-02
43 F= -.78476374E+03 E0= -.78479349E+03 d E =-.348406E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.784689595518E+03 0.74146E-01 -0.54556E+01 3608 0.136E+01 0.138E+00
DAV: 2 -0.784825228081E+03 -0.13563E+00 -0.15025E+00 3912 0.198E+00 0.749E-01
DAV: 3 -0.784817509140E+03 0.77189E-02 -0.21271E-02 4344 0.305E-01 0.514E-01
DAV: 4 -0.784817581145E+03 -0.72005E-04 -0.33763E-02 4256 0.352E-01 0.331E-01
DAV: 5 -0.784813433600E+03 0.41475E-02 -0.19003E-02 4288 0.251E-01 0.176E-01
DAV: 6 -0.784813184481E+03 0.24912E-03 -0.25833E-03 3976 0.955E-02 0.145E-01
DAV: 7 -0.784813070878E+03 0.11360E-03 -0.24893E-03 4208 0.972E-02 0.590E-02
DAV: 8 -0.784813111064E+03 -0.40186E-04 -0.47594E-04 4200 0.395E-02 0.373E-02
DAV: 9 -0.784813116596E+03 -0.55317E-05 -0.73236E-05 4184 0.199E-02
44 F= -.78481312E+03 E0= -.78484200E+03 d E =-.397781E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.784602003306E+03 0.21111E+00 -0.19397E+02 3624 0.257E+01 0.268E+00
DAV: 2 -0.785111871257E+03 -0.50987E+00 -0.56471E+00 3936 0.380E+00 0.151E+00
DAV: 3 -0.785083047868E+03 0.28823E-01 -0.99247E-02 4312 0.649E-01 0.105E+00
DAV: 4 -0.785085912793E+03 -0.28649E-02 -0.12987E-01 4168 0.592E-01 0.753E-01
DAV: 5 -0.785065655881E+03 0.20257E-01 -0.66367E-02 4280 0.521E-01 0.271E-01
DAV: 6 -0.785065719470E+03 -0.63589E-04 -0.14698E-02 3976 0.225E-01 0.220E-01
DAV: 7 -0.785065661089E+03 0.58381E-04 -0.70917E-03 4208 0.162E-01 0.117E-01
DAV: 8 -0.785065677567E+03 -0.16478E-04 -0.14220E-03 4128 0.704E-02 0.718E-02
DAV: 9 -0.785065665139E+03 0.12428E-04 -0.22811E-04 4264 0.390E-02 0.437E-02
DAV: 10 -0.785065730234E+03 -0.65095E-04 -0.26420E-04 4056 0.291E-02 0.300E-02
DAV: 11 -0.785065765056E+03 -0.34822E-04 -0.67690E-05 3824 0.153E-02 0.265E-02
DAV: 12 -0.785065778685E+03 -0.13630E-04 -0.30961E-05 3264 0.130E-02 0.149E-02
DAV: 13 -0.785065798467E+03 -0.19782E-04 -0.38685E-05 3528 0.112E-02 0.629E-03
DAV: 14 -0.785065822276E+03 -0.23808E-04 -0.56094E-06 2344 0.457E-03 0.540E-03
DAV: 15 -0.785065848328E+03 -0.26053E-04 -0.35560E-06 2456 0.413E-03 0.358E-03
DAV: 16 -0.785065864920E+03 -0.16592E-04 -0.36842E-06 2328 0.366E-03 0.263E-03
DAV: 17 -0.785065878912E+03 -0.13992E-04 -0.18551E-06 2320 0.264E-03 0.201E-03
DAV: 18 -0.785065893085E+03 -0.14173E-04 -0.18167E-06 2304 0.232E-03 0.171E-03
DAV: 19 -0.785065897933E+03 -0.48485E-05 -0.55892E-07 2184 0.136E-03
45 F= -.78506590E+03 E0= -.78509382E+03 d E =-.252781E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.785065906619E+03 -0.13534E-04 -0.10140E-03 3760 0.585E-02 0.598E-03
DAV: 2 -0.785065911306E+03 -0.46870E-05 -0.26057E-05 2704 0.855E-03
46 F= -.78506591E+03 E0= -.78509383E+03 d E =-.252795E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.784980143080E+03 0.85764E-01 -0.12024E+02 3640 0.204E+01 0.218E+00
DAV: 2 -0.785300149022E+03 -0.32001E+00 -0.35356E+00 3912 0.306E+00 0.117E+00
DAV: 3 -0.785282864677E+03 0.17284E-01 -0.68138E-02 4312 0.527E-01 0.803E-01
DAV: 4 -0.785284625481E+03 -0.17608E-02 -0.83696E-02 4208 0.472E-01 0.609E-01
DAV: 5 -0.785271777512E+03 0.12848E-01 -0.45384E-02 4256 0.429E-01 0.218E-01
DAV: 6 -0.785271940317E+03 -0.16281E-03 -0.10382E-02 3952 0.181E-01 0.189E-01
DAV: 7 -0.785271776512E+03 0.16380E-03 -0.39282E-03 4248 0.123E-01 0.944E-02
DAV: 8 -0.785271834976E+03 -0.58464E-04 -0.10868E-03 4144 0.591E-02 0.571E-02
DAV: 9 -0.785271820753E+03 0.14223E-04 -0.13866E-04 4112 0.284E-02 0.337E-02
DAV: 10 -0.785271851898E+03 -0.31145E-04 -0.14221E-04 3928 0.236E-02 0.192E-02
DAV: 11 -0.785271869424E+03 -0.17526E-04 -0.65857E-05 3760 0.163E-02 0.194E-02
DAV: 12 -0.785271877090E+03 -0.76655E-05 -0.15894E-05 2320 0.920E-03
47 F= -.78527188E+03 E0= -.78529961E+03 d E =-.205966E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.785264820081E+03 0.70493E-02 -0.63013E+00 3680 0.466E+00 0.489E-01
DAV: 2 -0.785280653132E+03 -0.15833E-01 -0.17605E-01 3912 0.688E-01 0.255E-01
DAV: 3 -0.785279831086E+03 0.82205E-03 -0.34104E-03 4368 0.112E-01 0.176E-01
DAV: 4 -0.785279966956E+03 -0.13587E-03 -0.40416E-03 4264 0.108E-01 0.136E-01
DAV: 5 -0.785279326470E+03 0.64049E-03 -0.28667E-03 4296 0.994E-02 0.544E-02
DAV: 6 -0.785279325653E+03 0.81685E-06 -0.53163E-04 3912 0.402E-02 0.485E-02
DAV: 7 -0.785279312219E+03 0.13434E-04 -0.18463E-04 4224 0.273E-02 0.240E-02
DAV: 8 -0.785279322117E+03 -0.98983E-05 -0.75086E-05 3952 0.160E-02
48 F= -.78527932E+03 E0= -.78530703E+03 d E =-.213411E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.785182942873E+03 0.96369E-01 -0.10772E+02 3624 0.193E+01 0.206E+00
DAV: 2 -0.785466842499E+03 -0.28390E+00 -0.31357E+00 3880 0.288E+00 0.109E+00
DAV: 3 -0.785450478643E+03 0.16364E-01 -0.55297E-02 4352 0.489E-01 0.751E-01
DAV: 4 -0.785452869909E+03 -0.23913E-02 -0.80460E-02 4272 0.480E-01 0.568E-01
DAV: 5 -0.785441490223E+03 0.11380E-01 -0.46257E-02 4256 0.410E-01 0.240E-01
DAV: 6 -0.785441369855E+03 0.12037E-03 -0.87048E-03 3904 0.167E-01 0.208E-01
DAV: 7 -0.785441081796E+03 0.28806E-03 -0.42491E-03 4312 0.127E-01 0.907E-02
DAV: 8 -0.785441170334E+03 -0.88538E-04 -0.10867E-03 4168 0.588E-02 0.531E-02
DAV: 9 -0.785441159727E+03 0.10607E-04 -0.18271E-04 4168 0.304E-02 0.351E-02
DAV: 10 -0.785441174669E+03 -0.14942E-04 -0.98552E-05 3928 0.219E-02 0.225E-02
DAV: 11 -0.785441190136E+03 -0.15467E-04 -0.11301E-04 3880 0.210E-02 0.187E-02
DAV: 12 -0.785441195596E+03 -0.54596E-05 -0.20330E-05 2376 0.102E-02
49 F= -.78544120E+03 E0= -.78546916E+03 d E =-.161873E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.785431806410E+03 0.93837E-02 -0.70855E+00 3680 0.494E+00 0.519E-01
DAV: 2 -0.785449621202E+03 -0.17815E-01 -0.19731E-01 3880 0.728E-01 0.268E-01
DAV: 3 -0.785448629283E+03 0.99192E-03 -0.34946E-03 4376 0.118E-01 0.185E-01
DAV: 4 -0.785448800682E+03 -0.17140E-03 -0.49230E-03 4320 0.124E-01 0.142E-01
DAV: 5 -0.785448111475E+03 0.68921E-03 -0.35306E-03 4288 0.105E-01 0.659E-02
DAV: 6 -0.785448094069E+03 0.17406E-04 -0.54571E-04 3904 0.408E-02 0.578E-02
DAV: 7 -0.785448069766E+03 0.24303E-04 -0.22921E-04 4216 0.299E-02 0.273E-02
DAV: 8 -0.785448080204E+03 -0.10439E-04 -0.97335E-05 3992 0.190E-02 0.145E-02
DAV: 9 -0.785448084855E+03 -0.46505E-05 -0.25056E-05 2776 0.101E-02
50 F= -.78544808E+03 E0= -.78547614E+03 d E =-.168763E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.785377934390E+03 0.70146E-01 -0.92564E+01 3600 0.178E+01 0.185E+00
DAV: 2 -0.785623696144E+03 -0.24576E+00 -0.26996E+00 3896 0.266E+00 0.997E-01
DAV: 3 -0.785609911972E+03 0.13784E-01 -0.39117E-02 4312 0.429E-01 0.695E-01
DAV: 4 -0.785610415968E+03 -0.50400E-03 -0.74099E-02 4216 0.523E-01 0.448E-01
DAV: 5 -0.785604563403E+03 0.58526E-02 -0.39054E-02 4224 0.339E-01 0.302E-01
DAV: 6 -0.785603720527E+03 0.84288E-03 -0.49046E-03 3928 0.130E-01 0.249E-01
DAV: 7 -0.785603114348E+03 0.60618E-03 -0.54356E-03 4272 0.148E-01 0.926E-02
DAV: 8 -0.785603196819E+03 -0.82471E-04 -0.14950E-03 4224 0.728E-02 0.541E-02
DAV: 9 -0.785603222018E+03 -0.25199E-04 -0.33385E-04 4072 0.358E-02 0.523E-02
DAV: 10 -0.785603197860E+03 0.24159E-04 -0.88804E-05 3992 0.234E-02 0.357E-02
DAV: 11 -0.785603204705E+03 -0.68452E-05 -0.28870E-04 4064 0.331E-02 0.198E-02
DAV: 12 -0.785603209119E+03 -0.44138E-05 -0.40403E-05 3064 0.146E-02
51 F= -.78560321E+03 E0= -.78563192E+03 d E =-.155124E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.785570155500E+03 0.33049E-01 -0.21758E+01 3720 0.865E+00 0.887E-01
DAV: 2 -0.785625839367E+03 -0.55684E-01 -0.61303E-01 3896 0.128E+00 0.472E-01
DAV: 3 -0.785622744919E+03 0.30944E-02 -0.89709E-03 4328 0.202E-01 0.329E-01
DAV: 4 -0.785622831224E+03 -0.86305E-04 -0.16796E-02 4256 0.256E-01 0.212E-01
DAV: 5 -0.785621623806E+03 0.12074E-02 -0.95291E-03 4232 0.162E-01 0.151E-01
DAV: 6 -0.785621413141E+03 0.21066E-03 -0.10799E-03 3928 0.602E-02 0.124E-01