iterations/neb0_image05_iter175_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 0.370614089003E+03 0.37061E+03 -0.14306E+04 624 0.799E+02
DAV: 2 0.349677788492E+01 -0.36712E+03 -0.35428E+03 858 0.195E+02
DAV: 3 -0.954115537741E+02 -0.98908E+02 -0.98577E+02 672 0.116E+02
DAV: 4 -0.100014342032E+03 -0.46028E+01 -0.45922E+01 704 0.283E+01
DAV: 5 -0.100108270746E+03 -0.93929E-01 -0.93881E-01 728 0.356E+00 0.223E+01
DAV: 6 -0.915763216452E+02 0.85319E+01 -0.30300E+01 680 0.297E+01 0.118E+01
DAV: 7 -0.907644741613E+02 0.81185E+00 -0.18331E+00 736 0.639E+00 0.482E+00
DAV: 8 -0.903897224833E+02 0.37475E+00 -0.52145E-01 736 0.419E+00 0.171E+00
DAV: 9 -0.903007382165E+02 0.88984E-01 -0.14301E-01 712 0.170E+00 0.441E-01
DAV: 10 -0.902934038797E+02 0.73343E-02 -0.42216E-02 752 0.131E+00 0.319E-01
DAV: 11 -0.902957551762E+02 -0.23513E-02 -0.58538E-03 632 0.501E-01 0.178E-01
DAV: 12 -0.902982796495E+02 -0.25245E-02 -0.68728E-03 623 0.461E-01 0.113E-01
DAV: 13 -0.903014013756E+02 -0.31217E-02 -0.10407E-03 658 0.231E-01 0.790E-02
DAV: 14 -0.903046689624E+02 -0.32676E-02 -0.14682E-03 655 0.179E-01 0.436E-02
DAV: 15 -0.903078817376E+02 -0.32128E-02 -0.38036E-04 669 0.936E-02 0.316E-02
DAV: 16 -0.903093505319E+02 -0.14688E-02 -0.26505E-04 704 0.856E-02 0.172E-02
DAV: 17 -0.903102270946E+02 -0.87656E-03 -0.86570E-05 631 0.472E-02 0.163E-02
DAV: 18 -0.903104801463E+02 -0.25305E-03 -0.31359E-05 608 0.289E-02 0.853E-03
DAV: 19 -0.903106073514E+02 -0.12721E-03 -0.18497E-05 447 0.221E-02 0.296E-03
DAV: 20 -0.903106519700E+02 -0.44619E-04 -0.55930E-06 480 0.103E-02 0.359E-03
DAV: 21 -0.903106778761E+02 -0.25906E-04 -0.33348E-06 420 0.104E-02 0.183E-03
DAV: 22 -0.903106866008E+02 -0.87247E-05 -0.24257E-06 488 0.820E-03
1 F= -.90310687E+02 E0= -.90318906E+02 d E =0.246572E-01