N E dE d eps ncg rms rms(c)
DAV: 1 0.197561207321E+04 0.19756E+04 -0.16576E+05 4016 0.115E+03
DAV: 2 -0.522061667576E+03 -0.24977E+04 -0.24254E+04 4840 0.286E+02
DAV: 3 -0.734597694620E+03 -0.21254E+03 -0.21093E+03 4696 0.894E+01
DAV: 4 -0.739522014696E+03 -0.49243E+01 -0.49029E+01 4920 0.140E+01
DAV: 5 -0.739657271397E+03 -0.13526E+00 -0.13504E+00 4736 0.217E+00 0.585E+01
DAV: 6 -0.666366254367E+03 0.73291E+02 -0.30763E+02 4488 0.315E+01 0.274E+01
DAV: 7 -0.665073909688E+03 0.12923E+01 -0.11933E+01 4936 0.712E+00 0.127E+01
DAV: 8 -0.664546638807E+03 0.52727E+00 -0.19056E+00 4720 0.328E+00 0.515E+00
DAV: 9 -0.664506892570E+03 0.39746E-01 -0.35592E-01 4760 0.160E+00 0.994E-01
DAV: 10 -0.664524067757E+03 -0.17175E-01 -0.75348E-02 4912 0.733E-01 0.645E-01
DAV: 11 -0.664529006958E+03 -0.49392E-02 -0.19096E-02 4640 0.373E-01 0.297E-01
DAV: 12 -0.664530710505E+03 -0.17035E-02 -0.39764E-03 4680 0.233E-01 0.109E-01
DAV: 13 -0.664530635826E+03 0.74679E-04 -0.24919E-03 5144 0.183E-01 0.612E-02
DAV: 14 -0.664530616125E+03 0.19701E-04 -0.11542E-03 4752 0.924E-02 0.495E-02
DAV: 15 -0.664530543847E+03 0.72278E-04 -0.11732E-04 4712 0.326E-02 0.259E-02
DAV: 16 -0.664530507917E+03 0.35930E-04 -0.80650E-05 4600 0.316E-02 0.101E-02
DAV: 17 -0.664530508280E+03 -0.36278E-06 -0.38317E-05 4248 0.178E-02
1 F= -.66453051E+03 E0= -.66453443E+03 d E =-.664531E+03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.664889876333E+03 -0.35937E+00 -0.52845E+02 3968 0.536E+01 0.638E+00
DAV: 2 -0.665912349765E+03 -0.10225E+01 -0.13754E+01 4736 0.786E+00 0.324E+00
DAV: 3 -0.665739850745E+03 0.17250E+00 -0.39988E-01 4784 0.168E+00 0.179E+00
DAV: 4 -0.665690945947E+03 0.48905E-01 -0.19204E-01 4680 0.122E+00 0.573E-01
DAV: 5 -0.665690265825E+03 0.68012E-03 -0.41993E-02 4840 0.572E-01 0.296E-01
DAV: 6 -0.665690033018E+03 0.23281E-03 -0.85619E-03 4704 0.231E-01 0.174E-01
DAV: 7 -0.665689484360E+03 0.54866E-03 -0.82602E-04 4840 0.105E-01 0.102E-01
DAV: 8 -0.665689170517E+03 0.31384E-03 -0.78680E-04 5152 0.114E-01 0.451E-02
DAV: 9 -0.665689100025E+03 0.70492E-04 -0.39276E-04 5336 0.661E-02 0.340E-02
DAV: 10 -0.665689080539E+03 0.19487E-04 -0.24501E-04 4712 0.449E-02 0.251E-02
DAV: 11 -0.665689064768E+03 0.15770E-04 -0.32094E-05 3936 0.269E-02 0.165E-02
DAV: 12 -0.665689060320E+03 0.44483E-05 -0.42742E-05 4296 0.211E-02
2 F= -.66568906E+03 E0= -.66569364E+03 d E =-.115855E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.665870974471E+03 -0.18191E+00 -0.42492E+01 3968 0.152E+01 0.183E+00
DAV: 2 -0.665946258052E+03 -0.75284E-01 -0.11539E+00 4736 0.224E+00 0.952E-01
DAV: 3 -0.665932953962E+03 0.13304E-01 -0.30768E-02 4800 0.491E-01 0.565E-01
DAV: 4 -0.665928886071E+03 0.40679E-02 -0.19451E-02 4672 0.386E-01 0.201E-01
DAV: 5 -0.665928832919E+03 0.53152E-04 -0.41336E-03 4800 0.175E-01 0.106E-01
DAV: 6 -0.665928799305E+03 0.33615E-04 -0.11021E-03 4680 0.812E-02 0.544E-02
DAV: 7 -0.665928748103E+03 0.51201E-04 -0.81244E-05 5136 0.374E-02 0.309E-02
DAV: 8 -0.665928722956E+03 0.25147E-04 -0.92538E-05 5032 0.364E-02 0.154E-02
DAV: 9 -0.665928715156E+03 0.77997E-05 -0.37361E-05 4272 0.210E-02
3 F= -.66592872E+03 E0= -.66593289E+03 d E =-.139821E+01
N E dE d eps ncg rms rms(c)