./iterations/neb0_image08_iter101_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 0.375772460344E+03 0.37577E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.354329113668E+01 -0.37223E+03 -0.35914E+03 869 0.196E+02
DAV: 3 -0.967616370902E+02 -0.10030E+03 -0.99965E+02 688 0.117E+02
DAV: 4 -0.101140132153E+03 -0.43785E+01 -0.43684E+01 688 0.275E+01
DAV: 5 -0.101227311083E+03 -0.87179E-01 -0.87141E-01 736 0.347E+00 0.227E+01
DAV: 6 -0.926014984891E+02 0.86258E+01 -0.30773E+01 701 0.302E+01 0.119E+01
DAV: 7 -0.917358138717E+02 0.86568E+00 -0.16942E+00 728 0.615E+00 0.481E+00
DAV: 8 -0.913567888158E+02 0.37903E+00 -0.55691E-01 704 0.402E+00 0.162E+00
DAV: 9 -0.912745632923E+02 0.82226E-01 -0.13001E-01 712 0.156E+00 0.424E-01
DAV: 10 -0.912654423452E+02 0.91209E-02 -0.46608E-02 728 0.113E+00 0.307E-01
DAV: 11 -0.912700518970E+02 -0.46096E-02 -0.13525E-02 624 0.601E-01 0.151E-01
DAV: 12 -0.912730203065E+02 -0.29684E-02 -0.30516E-03 606 0.254E-01 0.120E-01
DAV: 13 -0.912765454931E+02 -0.35252E-02 -0.14445E-03 728 0.219E-01 0.465E-02
DAV: 14 -0.912796726625E+02 -0.31272E-02 -0.66252E-04 645 0.137E-01 0.390E-02
DAV: 15 -0.912815439786E+02 -0.18713E-02 -0.19331E-04 656 0.808E-02 0.419E-02
DAV: 16 -0.912828264711E+02 -0.12825E-02 -0.39606E-04 650 0.101E-01 0.201E-02
DAV: 17 -0.912832072074E+02 -0.38074E-03 -0.74517E-05 744 0.614E-02 0.144E-02
DAV: 18 -0.912834629349E+02 -0.25573E-03 -0.46138E-05 631 0.317E-02 0.130E-02
DAV: 19 -0.912835507940E+02 -0.87859E-04 -0.10500E-05 464 0.205E-02 0.649E-03
DAV: 20 -0.912835870017E+02 -0.36208E-04 -0.17289E-05 464 0.261E-02 0.348E-03
DAV: 21 -0.912836057146E+02 -0.18713E-04 -0.33360E-06 448 0.102E-02 0.306E-03
DAV: 22 -0.912836148819E+02 -0.91673E-05 -0.17443E-06 442 0.753E-03
1 F= -.91283615E+02 E0= -.91288647E+02 d E =0.150954E-01