N E dE d eps ncg rms rms(c)
DAV: 1 0.178428109792E+04 0.17843E+04 -0.10428E+05 1624 0.101E+03
DAV: 2 -0.149903418297E+03 -0.19342E+04 -0.18481E+04 2076 0.239E+02
DAV: 3 -0.438989309619E+03 -0.28909E+03 -0.28480E+03 1808 0.978E+01
DAV: 4 -0.451928943270E+03 -0.12940E+02 -0.12878E+02 1872 0.226E+01
DAV: 5 -0.452446347663E+03 -0.51740E+00 -0.51713E+00 2064 0.402E+00 0.416E+01
DAV: 6 -0.418748439612E+03 0.33698E+02 -0.12874E+02 1984 0.299E+01 0.252E+01
DAV: 7 -0.418714001624E+03 0.34438E-01 -0.22167E+01 1688 0.982E+00 0.115E+01
DAV: 8 -0.418004113148E+03 0.70989E+00 -0.34608E+00 1872 0.538E+00 0.577E+00
DAV: 9 -0.417870585037E+03 0.13353E+00 -0.18040E+00 1840 0.310E+00 0.258E+00
DAV: 10 -0.417726693771E+03 0.14389E+00 -0.33757E-01 1848 0.182E+00 0.106E+00
DAV: 11 -0.417722995287E+03 0.36985E-02 -0.12476E-01 1840 0.108E+00 0.776E-01
DAV: 12 -0.417726786968E+03 -0.37917E-02 -0.51200E-02 1784 0.485E-01 0.475E-01
DAV: 13 -0.417727219961E+03 -0.43299E-03 -0.82107E-03 2120 0.309E-01 0.257E-01
DAV: 14 -0.417729552337E+03 -0.23324E-02 -0.78597E-03 1840 0.229E-01 0.154E-01
DAV: 15 -0.417730201901E+03 -0.64956E-03 -0.15450E-03 1928 0.111E-01 0.819E-02
DAV: 16 -0.417731581295E+03 -0.13794E-02 -0.15195E-03 1824 0.102E-01 0.607E-02
DAV: 17 -0.417732939694E+03 -0.13584E-02 -0.57000E-04 2208 0.635E-02 0.650E-02
DAV: 18 -0.417733986347E+03 -0.10467E-02 -0.48666E-04 2200 0.710E-02 0.288E-02
DAV: 19 -0.417734656789E+03 -0.67044E-03 -0.25701E-04 1824 0.372E-02 0.257E-02
DAV: 20 -0.417735580941E+03 -0.92415E-03 -0.85791E-05 1720 0.223E-02 0.195E-02
DAV: 21 -0.417736036199E+03 -0.45526E-03 -0.11362E-04 1840 0.295E-02 0.976E-03
DAV: 22 -0.417736186310E+03 -0.15011E-03 -0.31134E-05 1488 0.131E-02 0.117E-02
DAV: 23 -0.417736359207E+03 -0.17290E-03 -0.88443E-06 1184 0.719E-03 0.813E-03
DAV: 24 -0.417736488101E+03 -0.12889E-03 -0.13070E-05 1224 0.969E-03 0.301E-03
DAV: 25 -0.417736557124E+03 -0.69023E-04 -0.72513E-06 1152 0.609E-03 0.432E-03
DAV: 26 -0.417736576221E+03 -0.19098E-04 -0.22158E-06 1080 0.316E-03 0.384E-03
DAV: 27 -0.417736586052E+03 -0.98308E-05 -0.96598E-07 1000 0.218E-03
1 F= -.41773659E+03 E0= -.41773339E+03 d E =-.417737E+03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.413535915285E+03 0.42007E+01 -0.12648E+03 1584 0.842E+01 0.116E+01
DAV: 2 -0.420374650213E+03 -0.68387E+01 -0.78313E+01 1800 0.164E+01 0.638E+00
DAV: 3 -0.419886076850E+03 0.48857E+00 -0.22256E+00 1856 0.386E+00 0.461E+00
DAV: 4 -0.419657369488E+03 0.22871E+00 -0.15348E+00 1800 0.256E+00 0.213E+00
DAV: 5 -0.419604890937E+03 0.52479E-01 -0.46153E-01 1888 0.153E+00 0.123E+00
DAV: 6 -0.419585882667E+03 0.19008E-01 -0.92735E-02 2040 0.968E-01 0.752E-01
DAV: 7 -0.419586561207E+03 -0.67854E-03 -0.76683E-02 1824 0.619E-01 0.254E-01
DAV: 8 -0.419587168419E+03 -0.60721E-03 -0.13226E-02 1808 0.267E-01 0.187E-01
DAV: 9 -0.419587106811E+03 0.61608E-04 -0.32971E-03 1832 0.133E-01 0.110E-01
DAV: 10 -0.419587035439E+03 0.71373E-04 -0.53025E-04 1904 0.664E-02 0.753E-02
DAV: 11 -0.419587265160E+03 -0.22972E-03 -0.86356E-04 1776 0.731E-02 0.481E-02
DAV: 12 -0.419587510738E+03 -0.24558E-03 -0.20112E-04 1816 0.352E-02 0.428E-02
DAV: 13 -0.419587822437E+03 -0.31170E-03 -0.17840E-04 2080 0.378E-02 0.216E-02
DAV: 14 -0.419588135018E+03 -0.31258E-03 -0.12857E-04 1936 0.299E-02 0.220E-02
DAV: 15 -0.419588446364E+03 -0.31135E-03 -0.44828E-05 1752 0.194E-02 0.180E-02
DAV: 16 -0.419588673058E+03 -0.22669E-03 -0.35686E-05 1720 0.153E-02 0.126E-02
DAV: 17 -0.419588852910E+03 -0.17985E-03 -0.13620E-05 1320 0.879E-03 0.872E-03
DAV: 18 -0.419588976405E+03 -0.12349E-03 -0.97013E-06 1256 0.595E-03 0.496E-03
DAV: 19 -0.419589062995E+03 -0.86590E-04 -0.58014E-06 1240 0.557E-03 0.220E-03
DAV: 20 -0.419589093004E+03 -0.30009E-04 -0.24108E-06 1216 0.316E-03 0.203E-03
DAV: 21 -0.419589110655E+03 -0.17650E-04 -0.12255E-06 1160 0.242E-03 0.171E-03
DAV: 22 -0.419589128808E+03 -0.18154E-04 -0.11908E-06 1184 0.211E-03 0.111E-03
DAV: 23 -0.419589132775E+03 -0.39660E-05 -0.42397E-07 1120 0.120E-03
2 F= -.41958913E+03 E0= -.41958547E+03 d E =-.185255E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.419531449260E+03 0.57680E-01 -0.62018E+01 1568 0.189E+01 0.213E+00
DAV: 2 -0.419734888906E+03 -0.20344E+00 -0.22874E+00 1808 0.295E+00 0.979E-01
DAV: 3 -0.419720774089E+03 0.14115E-01 -0.63692E-02 1912 0.653E-01 0.604E-01
DAV: 4 -0.419717570282E+03 0.32038E-02 -0.16763E-02 1832 0.345E-01 0.319E-01
DAV: 5 -0.419717183100E+03 0.38718E-03 -0.76498E-03 1848 0.215E-01 0.115E-01
DAV: 6 -0.419717371181E+03 -0.18808E-03 -0.20228E-03 1816 0.124E-01 0.763E-02
DAV: 7 -0.419717573827E+03 -0.20265E-03 -0.97778E-04 1848 0.688E-02 0.575E-02
DAV: 8 -0.419717680901E+03 -0.10707E-03 -0.91247E-05 1768 0.276E-02 0.323E-02
DAV: 9 -0.419717843145E+03 -0.16224E-03 -0.13466E-04 1776 0.242E-02 0.121E-02
DAV: 10 -0.419717944960E+03 -0.10182E-03 -0.17408E-05 1312 0.107E-02 0.827E-03