./iterations/neb0_image09_iter174_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 0.373980532344E+03 0.37398E+03 -0.14280E+04 624 0.799E+02
DAV: 2 0.324409909929E+01 -0.37074E+03 -0.35799E+03 869 0.196E+02
DAV: 3 -0.965075962308E+02 -0.99752E+02 -0.99419E+02 645 0.117E+02
DAV: 4 -0.101232709890E+03 -0.47251E+01 -0.47141E+01 720 0.295E+01
DAV: 5 -0.101326976522E+03 -0.94267E-01 -0.94225E-01 728 0.377E+00 0.227E+01
DAV: 6 -0.926731360626E+02 0.86538E+01 -0.30896E+01 717 0.301E+01 0.119E+01
DAV: 7 -0.918078711224E+02 0.86526E+00 -0.17161E+00 728 0.613E+00 0.479E+00
DAV: 8 -0.914326863905E+02 0.37518E+00 -0.54450E-01 712 0.395E+00 0.163E+00
DAV: 9 -0.913512523635E+02 0.81434E-01 -0.13118E-01 712 0.156E+00 0.423E-01
DAV: 10 -0.913429098843E+02 0.83425E-02 -0.43657E-02 768 0.109E+00 0.298E-01
DAV: 11 -0.913472276270E+02 -0.43177E-02 -0.11564E-02 616 0.559E-01 0.132E-01
DAV: 12 -0.913504359660E+02 -0.32083E-02 -0.28376E-03 634 0.250E-01 0.105E-01
DAV: 13 -0.913539002909E+02 -0.34643E-02 -0.10592E-03 661 0.178E-01 0.464E-02
DAV: 14 -0.913572374832E+02 -0.33372E-02 -0.81478E-04 664 0.159E-01 0.385E-02
DAV: 15 -0.913585200350E+02 -0.12826E-02 -0.15887E-04 752 0.890E-02 0.339E-02
DAV: 16 -0.913600008524E+02 -0.14808E-02 -0.31608E-04 645 0.873E-02 0.160E-02
DAV: 17 -0.913604838243E+02 -0.48297E-03 -0.72923E-05 696 0.564E-02 0.136E-02
DAV: 18 -0.913607344263E+02 -0.25060E-03 -0.44398E-05 632 0.305E-02 0.824E-03
DAV: 19 -0.913607816115E+02 -0.47185E-04 -0.57985E-06 504 0.126E-02 0.486E-03
DAV: 20 -0.913608093705E+02 -0.27759E-04 -0.46251E-06 429 0.140E-02 0.160E-03
DAV: 21 -0.913608328422E+02 -0.23472E-04 -0.41549E-06 431 0.972E-03 0.217E-03
DAV: 22 -0.913608362920E+02 -0.34498E-05 -0.73989E-07 504 0.423E-03
1 F= -.91360836E+02 E0= -.91365694E+02 d E =0.145722E-01