./iterations/neb0_image08_iter44_OSZICAR.out output for 40: 572-->565: F2 + F3Si-NF-SiF3, to SiF4 + F3Si-NF2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.794235998894E+03 0.79424E+03 -0.26018E+04 920 0.101E+03
DAV: 2 0.100839308952E+03 -0.69340E+03 -0.67613E+03 1112 0.281E+02
DAV: 3 -0.631040843970E+02 -0.16394E+03 -0.16360E+03 817 0.154E+02
DAV: 4 -0.678331954071E+02 -0.47291E+01 -0.47161E+01 912 0.290E+01
DAV: 5 -0.678873441960E+02 -0.54149E-01 -0.53973E-01 894 0.313E+00 0.197E+01
DAV: 6 -0.632298201201E+02 0.46575E+01 -0.18809E+01 907 0.224E+01 0.108E+01
DAV: 7 -0.630771076461E+02 0.15271E+00 -0.99293E-01 931 0.589E+00 0.397E+00
DAV: 8 -0.630697233256E+02 0.73843E-02 -0.96138E-02 928 0.216E+00 0.139E+00
DAV: 9 -0.630779159729E+02 -0.81926E-02 -0.21098E-02 928 0.107E+00 0.332E-01
DAV: 10 -0.630789352374E+02 -0.10193E-02 -0.62870E-03 923 0.665E-01 0.174E-01
DAV: 11 -0.630796128303E+02 -0.67759E-03 -0.84809E-04 872 0.225E-01 0.785E-02
DAV: 12 -0.630806217578E+02 -0.10089E-02 -0.37023E-04 894 0.171E-01 0.319E-02
DAV: 13 -0.630816056152E+02 -0.98386E-03 -0.22126E-04 905 0.154E-01 0.389E-02
DAV: 14 -0.630826064555E+02 -0.10008E-02 -0.29436E-04 874 0.141E-01 0.188E-02
DAV: 15 -0.630830592385E+02 -0.45278E-03 -0.59794E-05 851 0.523E-02 0.885E-03
DAV: 16 -0.630833078338E+02 -0.24860E-03 -0.18451E-05 648 0.255E-02 0.578E-03
DAV: 17 -0.630834944352E+02 -0.18660E-03 -0.11036E-05 678 0.172E-02 0.326E-03
DAV: 18 -0.630836169673E+02 -0.12253E-03 -0.91800E-06 635 0.126E-02 0.248E-03
DAV: 19 -0.630836514739E+02 -0.34507E-04 -0.26835E-06 632 0.111E-02 0.121E-03
DAV: 20 -0.630836683114E+02 -0.16837E-04 -0.12069E-06 596 0.488E-03 0.124E-03
DAV: 21 -0.630836746945E+02 -0.63831E-05 -0.47834E-07 515 0.512E-03
1 F= -.63083675E+02 E0= -.63087540E+02 d E =0.115963E-01