./iterations/neb0_image06_iter28_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 0.369675110309E+03 0.36968E+03 -0.14283E+04 632 0.799E+02
DAV: 2 0.328627419552E+01 -0.36639E+03 -0.35350E+03 877 0.194E+02
DAV: 3 -0.948722107384E+02 -0.98158E+02 -0.97806E+02 661 0.115E+02
DAV: 4 -0.992405988533E+02 -0.43684E+01 -0.43562E+01 720 0.282E+01
DAV: 5 -0.993286378806E+02 -0.88039E-01 -0.88013E-01 720 0.357E+00 0.221E+01
DAV: 6 -0.907744515008E+02 0.85542E+01 -0.30770E+01 693 0.304E+01 0.115E+01
DAV: 7 -0.899558140453E+02 0.81864E+00 -0.16286E+00 720 0.665E+00 0.475E+00
DAV: 8 -0.895847853500E+02 0.37103E+00 -0.54309E-01 696 0.408E+00 0.169E+00
DAV: 9 -0.894997635665E+02 0.85022E-01 -0.14375E-01 720 0.180E+00 0.493E-01
DAV: 10 -0.894899019676E+02 0.98616E-02 -0.21808E-02 824 0.994E-01 0.296E-01
DAV: 11 -0.894907571673E+02 -0.85520E-03 -0.93337E-03 645 0.469E-01 0.160E-01
DAV: 12 -0.894934433185E+02 -0.26862E-02 -0.28098E-03 596 0.323E-01 0.104E-01
DAV: 13 -0.894979650795E+02 -0.45218E-02 -0.16637E-03 625 0.218E-01 0.897E-02
DAV: 14 -0.895010062510E+02 -0.30412E-02 -0.80961E-04 661 0.145E-01 0.346E-02
DAV: 15 -0.895036283567E+02 -0.26221E-02 -0.52222E-04 709 0.115E-01 0.403E-02
DAV: 16 -0.895051679100E+02 -0.15396E-02 -0.26875E-04 730 0.978E-02 0.151E-02
DAV: 17 -0.895058870970E+02 -0.71919E-03 -0.70378E-05 671 0.404E-02 0.104E-02
DAV: 18 -0.895064497758E+02 -0.56268E-03 -0.60320E-05 574 0.305E-02 0.778E-03
DAV: 19 -0.895065539977E+02 -0.10422E-03 -0.12811E-05 496 0.182E-02 0.371E-03
DAV: 20 -0.895066203874E+02 -0.66390E-04 -0.87839E-06 417 0.140E-02 0.272E-03
DAV: 21 -0.895066409838E+02 -0.20596E-04 -0.28186E-06 496 0.799E-03 0.136E-03
DAV: 22 -0.895066504782E+02 -0.94944E-05 -0.15595E-06 398 0.502E-03
1 F= -.89506650E+02 E0= -.89516725E+02 d E =0.302226E-01