./iterations/neb0_image03_iter77_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 0.367544454205E+03 0.36754E+03 -0.14321E+04 632 0.799E+02
DAV: 2 0.293319882668E+01 -0.36461E+03 -0.35204E+03 853 0.195E+02
DAV: 3 -0.955815375838E+02 -0.98515E+02 -0.98196E+02 664 0.116E+02
DAV: 4 -0.100119014576E+03 -0.45375E+01 -0.45280E+01 720 0.287E+01
DAV: 5 -0.100207541260E+03 -0.88527E-01 -0.88490E-01 736 0.360E+00 0.223E+01
DAV: 6 -0.916219148409E+02 0.85856E+01 -0.30650E+01 693 0.296E+01 0.116E+01
DAV: 7 -0.907711451595E+02 0.85077E+00 -0.18317E+00 696 0.640E+00 0.483E+00
DAV: 8 -0.903664778990E+02 0.40467E+00 -0.57399E-01 704 0.434E+00 0.165E+00
DAV: 9 -0.902718490309E+02 0.94629E-01 -0.13829E-01 712 0.173E+00 0.440E-01
DAV: 10 -0.902639552701E+02 0.78938E-02 -0.46000E-02 709 0.114E+00 0.333E-01
DAV: 11 -0.902674924981E+02 -0.35372E-02 -0.69448E-03 605 0.552E-01 0.114E-01
DAV: 12 -0.902700004644E+02 -0.25080E-02 -0.42809E-03 631 0.292E-01 0.114E-01
DAV: 13 -0.902746162436E+02 -0.46158E-02 -0.18828E-03 832 0.340E-01 0.841E-02
DAV: 14 -0.902773182598E+02 -0.27020E-02 -0.75366E-04 664 0.136E-01 0.557E-02
DAV: 15 -0.902801353537E+02 -0.28171E-02 -0.79982E-04 664 0.166E-01 0.318E-02
DAV: 16 -0.902815890128E+02 -0.14537E-02 -0.19492E-04 688 0.804E-02 0.175E-02
DAV: 17 -0.902824132303E+02 -0.82422E-03 -0.11487E-04 664 0.476E-02 0.101E-02
DAV: 18 -0.902826618399E+02 -0.24861E-03 -0.25316E-05 536 0.265E-02 0.437E-03
DAV: 19 -0.902827914699E+02 -0.12963E-03 -0.10008E-05 466 0.134E-02 0.308E-03
DAV: 20 -0.902828472219E+02 -0.55752E-04 -0.63025E-06 458 0.127E-02 0.149E-03
DAV: 21 -0.902828796843E+02 -0.32462E-04 -0.41787E-06 426 0.705E-03 0.153E-03
DAV: 22 -0.902828828279E+02 -0.31437E-05 -0.85418E-07 536 0.666E-03
1 F= -.90282883E+02 E0= -.90291331E+02 d E =0.253451E-01