iterations/neb0_image06_iter229_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 0.373153052872E+03 0.37315E+03 -0.14314E+04 632 0.799E+02
DAV: 2 0.407917746360E+01 -0.36907E+03 -0.35673E+03 874 0.194E+02
DAV: 3 -0.954462831650E+02 -0.99525E+02 -0.99168E+02 656 0.116E+02
DAV: 4 -0.100238116547E+03 -0.47918E+01 -0.47769E+01 728 0.291E+01
DAV: 5 -0.100337665321E+03 -0.99549E-01 -0.99503E-01 733 0.374E+00 0.225E+01
DAV: 6 -0.917918862389E+02 0.85458E+01 -0.30303E+01 704 0.302E+01 0.118E+01
DAV: 7 -0.909662707444E+02 0.82562E+00 -0.17561E+00 712 0.630E+00 0.481E+00
DAV: 8 -0.905902168849E+02 0.37605E+00 -0.56464E-01 704 0.419E+00 0.166E+00
DAV: 9 -0.905013963142E+02 0.88821E-01 -0.12944E-01 712 0.160E+00 0.429E-01
DAV: 10 -0.904912054653E+02 0.10191E-01 -0.36287E-02 736 0.940E-01 0.287E-01
DAV: 11 -0.904953345259E+02 -0.41291E-02 -0.98405E-03 605 0.513E-01 0.153E-01
DAV: 12 -0.904978116549E+02 -0.24771E-02 -0.29266E-03 626 0.308E-01 0.826E-02
DAV: 13 -0.905016440010E+02 -0.38323E-02 -0.16397E-03 622 0.186E-01 0.697E-02
DAV: 14 -0.905051140895E+02 -0.34701E-02 -0.11007E-03 728 0.235E-01 0.407E-02
DAV: 15 -0.905068621978E+02 -0.17481E-02 -0.28644E-04 717 0.103E-01 0.367E-02
DAV: 16 -0.905084768367E+02 -0.16146E-02 -0.36715E-04 703 0.109E-01 0.169E-02
DAV: 17 -0.905091961313E+02 -0.71929E-03 -0.97399E-05 717 0.537E-02 0.128E-02
DAV: 18 -0.905094289771E+02 -0.23285E-03 -0.21372E-05 536 0.187E-02 0.767E-03
DAV: 19 -0.905095579939E+02 -0.12902E-03 -0.22517E-05 498 0.246E-02 0.229E-03
DAV: 20 -0.905095830576E+02 -0.25064E-04 -0.39118E-06 488 0.956E-03 0.274E-03
DAV: 21 -0.905095955100E+02 -0.12452E-04 -0.18240E-06 412 0.599E-03 0.145E-03
DAV: 22 -0.905095971778E+02 -0.16678E-05 -0.83968E-07 488 0.483E-03
1 F= -.90509597E+02 E0= -.90514420E+02 d E =0.144672E-01