iterations/neb0_image09_iter172_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 0.374024683210E+03 0.37402E+03 -0.14280E+04 624 0.799E+02
DAV: 2 0.326281916832E+01 -0.37076E+03 -0.35801E+03 869 0.196E+02
DAV: 3 -0.965009621041E+02 -0.99764E+02 -0.99432E+02 645 0.117E+02
DAV: 4 -0.101227596303E+03 -0.47266E+01 -0.47157E+01 720 0.295E+01
DAV: 5 -0.101322011882E+03 -0.94416E-01 -0.94374E-01 736 0.377E+00 0.227E+01
DAV: 6 -0.926697544331E+02 0.86523E+01 -0.30901E+01 714 0.301E+01 0.119E+01
DAV: 7 -0.918065907317E+02 0.86316E+00 -0.17162E+00 728 0.613E+00 0.479E+00
DAV: 8 -0.914320885539E+02 0.37450E+00 -0.54262E-01 712 0.395E+00 0.163E+00
DAV: 9 -0.913507038449E+02 0.81385E-01 -0.13127E-01 712 0.156E+00 0.422E-01
DAV: 10 -0.913424300489E+02 0.82738E-02 -0.43696E-02 776 0.109E+00 0.299E-01
DAV: 11 -0.913467461669E+02 -0.43161E-02 -0.11586E-02 616 0.560E-01 0.132E-01
DAV: 12 -0.913499164469E+02 -0.31703E-02 -0.28007E-03 623 0.248E-01 0.103E-01
DAV: 13 -0.913534642701E+02 -0.35478E-02 -0.11099E-03 661 0.177E-01 0.470E-02
DAV: 14 -0.913570649572E+02 -0.36007E-02 -0.89182E-04 664 0.176E-01 0.392E-02
DAV: 15 -0.913580308438E+02 -0.96589E-03 -0.14482E-04 712 0.906E-02 0.357E-02
DAV: 16 -0.913593864156E+02 -0.13556E-02 -0.34411E-04 631 0.985E-02 0.176E-02
DAV: 17 -0.913598926675E+02 -0.50625E-03 -0.65748E-05 680 0.529E-02 0.140E-02
DAV: 18 -0.913601470881E+02 -0.25442E-03 -0.48437E-05 648 0.363E-02 0.923E-03
DAV: 19 -0.913602458046E+02 -0.98716E-04 -0.99611E-06 480 0.160E-02 0.524E-03
DAV: 20 -0.913602853332E+02 -0.39529E-04 -0.66284E-06 440 0.130E-02 0.282E-03
DAV: 21 -0.913603069112E+02 -0.21578E-04 -0.45076E-06 445 0.111E-02 0.172E-03
DAV: 22 -0.913603104609E+02 -0.35497E-05 -0.10068E-06 496 0.469E-03
1 F= -.91360310E+02 E0= -.91365223E+02 d E =0.147383E-01