./iterations/neb0_image07_iter69_OSZICAR.out output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.378690249704E+03 0.37869E+03 -0.14288E+04 624 0.799E+02
DAV: 2 0.441357606913E+01 -0.37428E+03 -0.36096E+03 869 0.196E+02
DAV: 3 -0.964486541605E+02 -0.10086E+03 -0.10054E+03 672 0.117E+02
DAV: 4 -0.100926980987E+03 -0.44783E+01 -0.44678E+01 704 0.285E+01
DAV: 5 -0.101014743938E+03 -0.87763E-01 -0.87725E-01 720 0.358E+00 0.228E+01
DAV: 6 -0.923486993881E+02 0.86660E+01 -0.30679E+01 701 0.303E+01 0.120E+01
DAV: 7 -0.914582087990E+02 0.89049E+00 -0.16772E+00 736 0.615E+00 0.483E+00
DAV: 8 -0.910715595474E+02 0.38665E+00 -0.56603E-01 696 0.410E+00 0.163E+00
DAV: 9 -0.909865345415E+02 0.85025E-01 -0.13339E-01 712 0.157E+00 0.430E-01
DAV: 10 -0.909765385821E+02 0.99960E-02 -0.49557E-02 720 0.114E+00 0.315E-01
DAV: 11 -0.909810546691E+02 -0.45161E-02 -0.13324E-02 613 0.614E-01 0.145E-01
DAV: 12 -0.909840828242E+02 -0.30282E-02 -0.36197E-03 616 0.272E-01 0.149E-01
DAV: 13 -0.909880252394E+02 -0.39424E-02 -0.31963E-03 725 0.344E-01 0.596E-02
DAV: 14 -0.909903435233E+02 -0.23183E-02 -0.52648E-04 664 0.115E-01 0.574E-02
DAV: 15 -0.909932415273E+02 -0.28980E-02 -0.39325E-04 631 0.938E-02 0.335E-02
DAV: 16 -0.909943297462E+02 -0.10882E-02 -0.34651E-04 677 0.926E-02 0.269E-02
DAV: 17 -0.909949286384E+02 -0.59889E-03 -0.86898E-05 653 0.517E-02 0.127E-02
DAV: 18 -0.909951240286E+02 -0.19539E-03 -0.24976E-05 552 0.229E-02 0.684E-03
DAV: 19 -0.909951802228E+02 -0.56194E-04 -0.77036E-06 480 0.160E-02 0.191E-03
DAV: 20 -0.909952286790E+02 -0.48456E-04 -0.60148E-06 420 0.108E-02 0.263E-03
DAV: 21 -0.909952418096E+02 -0.13131E-04 -0.15908E-06 493 0.584E-03 0.206E-03
DAV: 22 -0.909952475028E+02 -0.56933E-05 -0.17777E-06 401 0.834E-03
1 F= -.90995248E+02 E0= -.91000147E+02 d E =0.146990E-01