N E dE d eps ncg rms rms(c)
DAV: 1 0.844054810038E+04 0.84405E+04 -0.54515E+05 1664 0.113E+03
DAV: 2 -0.150133030008E+04 -0.99419E+04 -0.95933E+04 1980 0.293E+02
DAV: 3 -0.253954823913E+04 -0.10382E+04 -0.10317E+04 1912 0.101E+02
DAV: 4 -0.256869737553E+04 -0.29149E+02 -0.29036E+02 1952 0.185E+01
DAV: 5 -0.256960475207E+04 -0.90738E+00 -0.90616E+00 1936 0.302E+00 0.108E+02
DAV: 6 -0.229615295145E+04 0.27345E+03 -0.97286E+02 1832 0.298E+01 0.506E+01
DAV: 7 -0.228327694727E+04 0.12876E+02 -0.53610E+01 2072 0.789E+00 0.235E+01
DAV: 8 -0.227933566224E+04 0.39413E+01 -0.92521E+00 1912 0.410E+00 0.946E+00
DAV: 9 -0.227841858737E+04 0.91707E+00 -0.20661E+00 1960 0.211E+00 0.211E+00
DAV: 10 -0.227845291381E+04 -0.34326E-01 -0.40215E-01 1920 0.934E-01 0.144E+00
DAV: 11 -0.227845232674E+04 0.58707E-03 -0.12736E-01 1896 0.534E-01 0.741E-01
DAV: 12 -0.227843925059E+04 0.13076E-01 -0.23082E-02 1904 0.432E-01 0.312E-01
DAV: 13 -0.227842906452E+04 0.10186E-01 -0.33004E-02 2008 0.392E-01 0.409E-01
DAV: 14 -0.227842790122E+04 0.11633E-02 -0.21604E-02 1936 0.189E-01 0.259E-01
DAV: 15 -0.227842540794E+04 0.24933E-02 -0.23046E-03 1856 0.876E-02 0.154E-01
DAV: 16 -0.227842285131E+04 0.25566E-02 -0.30388E-03 1944 0.174E-01 0.202E-01
DAV: 17 -0.227842239094E+04 0.46037E-03 -0.31510E-03 1920 0.743E-02 0.737E-02
DAV: 18 -0.227842234495E+04 0.45988E-04 -0.92592E-04 1872 0.441E-02 0.421E-02
DAV: 19 -0.227842230652E+04 0.38432E-04 -0.11607E-04 1920 0.200E-02 0.360E-02
DAV: 20 -0.227842227146E+04 0.35061E-04 -0.51543E-05 1720 0.157E-02 0.120E-02
DAV: 21 -0.227842226672E+04 0.47309E-05 -0.31783E-05 1552 0.975E-03
1 F= -.22784223E+04 E0= -.22784343E+04 d E =-.227842E+04
N E dE d eps ncg rms rms(c)
DAV: 1 -0.227837884406E+04 0.43427E-01 -0.10783E+01 1616 0.412E+00 0.121E+00
DAV: 2 -0.227839970938E+04 -0.20865E-01 -0.37834E-01 1936 0.707E-01 0.652E-01
DAV: 3 -0.227838830191E+04 0.11407E-01 -0.21885E-02 1936 0.236E-01 0.404E-01
DAV: 4 -0.227838050553E+04 0.77964E-02 -0.17169E-02 2056 0.252E-01 0.195E-01
DAV: 5 -0.227837938025E+04 0.11253E-02 -0.95032E-03 1920 0.146E-01 0.130E-01
DAV: 6 -0.227837867223E+04 0.70802E-03 -0.14661E-03 1904 0.651E-02 0.772E-02
DAV: 7 -0.227837807290E+04 0.59934E-03 -0.24187E-04 2144 0.556E-02 0.405E-02
DAV: 8 -0.227837778345E+04 0.28944E-03 -0.40601E-04 2024 0.544E-02 0.204E-02
DAV: 9 -0.227837768610E+04 0.97356E-04 -0.28960E-04 2112 0.505E-02 0.131E-02
DAV: 10 -0.227837771236E+04 -0.26267E-04 -0.33342E-04 1888 0.213E-02 0.234E-02
DAV: 11 -0.227837770936E+04 0.30085E-05 -0.70554E-06 1136 0.358E-03
2 F= -.22783777E+04 E0= -.22783855E+04 d E =0.445574E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.227843549188E+04 -0.57780E-01 -0.45513E+00 1616 0.268E+00 0.785E-01
DAV: 2 -0.227844487389E+04 -0.93820E-02 -0.16090E-01 1936 0.459E-01 0.414E-01
DAV: 3 -0.227844187550E+04 0.29984E-02 -0.80577E-03 1944 0.137E-01 0.238E-01
DAV: 4 -0.227844096663E+04 0.90888E-03 -0.40170E-03 1904 0.100E-01 0.861E-02
DAV: 5 -0.227844088806E+04 0.78564E-04 -0.99113E-04 2080 0.525E-02 0.509E-02
DAV: 6 -0.227844085409E+04 0.33973E-04 -0.30843E-04 1888 0.276E-02 0.296E-02
DAV: 7 -0.227844082780E+04 0.26294E-04 -0.35404E-05 1624 0.134E-02 0.186E-02
DAV: 8 -0.227844080614E+04 0.21655E-04 -0.35004E-05 1712 0.156E-02 0.777E-03
DAV: 9 -0.227844080227E+04 0.38681E-05 -0.24190E-05 1392 0.904E-03
3 F= -.22784408E+04 E0= -.22784486E+04 d E =-.185355E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.227843400669E+04 0.67995E-02 -0.48758E+00 1600 0.262E+00 0.907E-01
DAV: 2 -0.227844393136E+04 -0.99247E-02 -0.14877E-01 1920 0.416E-01 0.338E-01
DAV: 3 -0.227844148239E+04 0.24490E-02 -0.52995E-03 1936 0.106E-01 0.183E-01
DAV: 4 -0.227844072092E+04 0.76147E-03 -0.34988E-03 1904 0.902E-02 0.644E-02
DAV: 5 -0.227844064835E+04 0.72574E-04 -0.95181E-04 1944 0.482E-02 0.525E-02
DAV: 6 -0.227844057877E+04 0.69574E-04 -0.24542E-04 1904 0.244E-02 0.295E-02
DAV: 7 -0.227844051083E+04 0.67937E-04 -0.29237E-05 1528 0.173E-02 0.195E-02
DAV: 8 -0.227844039551E+04 0.11532E-03 -0.12596E-04 2016 0.304E-02 0.153E-02
DAV: 9 -0.227844040517E+04 -0.96542E-05 -0.10481E-04 1832 0.101E-02 0.201E-02
DAV: 10 -0.227844039967E+04 0.54960E-05 -0.17249E-06 1032 0.173E-03
4 F= -.22784404E+04 E0= -.22784492E+04 d E =0.402602E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.227844822667E+04 -0.78215E-02 -0.12268E+00 1600 0.131E+00 0.448E-01
DAV: 2 -0.227845066092E+04 -0.24343E-02 -0.37273E-02 1912 0.208E-01 0.173E-01
DAV: 3 -0.227844998663E+04 0.67429E-03 -0.13978E-03 1936 0.532E-02 0.945E-02
DAV: 4 -0.227844975285E+04 0.23378E-03 -0.87164E-04 1912 0.478E-02 0.333E-02
DAV: 5 -0.227844973513E+04 0.17719E-04 -0.28655E-04 1936 0.261E-02 0.279E-02
DAV: 6 -0.227844972023E+04 0.14900E-04 -0.59680E-05 1848 0.110E-02 0.163E-02
DAV: 7 -0.227844970659E+04 0.13637E-04 -0.44413E-06 1304 0.770E-03 0.922E-03
DAV: 8 -0.227844969503E+04 0.11558E-04 -0.15469E-05 1392 0.112E-02 0.455E-03
DAV: 9 -0.227844969381E+04 0.12248E-05 -0.16227E-05 1344 0.636E-03
5 F= -.22784497E+04 E0= -.22784576E+04 d E =-.889154E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.227845480357E+04 -0.51085E-02 -0.21794E+00 1600 0.185E+00 0.410E-01
DAV: 2 -0.227845814637E+04 -0.33428E-02 -0.47383E-02 1928 0.255E-01 0.197E-01