iterations/neb0_image05_iter196_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 0.367791018195E+03 0.36779E+03 -0.14293E+04 624 0.799E+02
DAV: 2 0.320236762548E+01 -0.36459E+03 -0.35164E+03 864 0.195E+02
DAV: 3 -0.954130709793E+02 -0.98615E+02 -0.98285E+02 677 0.116E+02
DAV: 4 -0.999484098428E+02 -0.45353E+01 -0.45247E+01 688 0.280E+01
DAV: 5 -0.100041194067E+03 -0.92784E-01 -0.92735E-01 728 0.353E+00 0.221E+01
DAV: 6 -0.915489816312E+02 0.84922E+01 -0.30725E+01 688 0.300E+01 0.116E+01
DAV: 7 -0.907706017313E+02 0.77838E+00 -0.18258E+00 728 0.636E+00 0.481E+00
DAV: 8 -0.904017455695E+02 0.36886E+00 -0.51825E-01 720 0.420E+00 0.171E+00
DAV: 9 -0.903136770916E+02 0.88068E-01 -0.14228E-01 720 0.173E+00 0.440E-01
DAV: 10 -0.903067691875E+02 0.69079E-02 -0.41317E-02 792 0.125E+00 0.310E-01
DAV: 11 -0.903097468884E+02 -0.29777E-02 -0.68510E-03 613 0.502E-01 0.156E-01
DAV: 12 -0.903122018960E+02 -0.24550E-02 -0.53844E-03 621 0.469E-01 0.106E-01
DAV: 13 -0.903155507107E+02 -0.33488E-02 -0.11365E-03 680 0.220E-01 0.834E-02
DAV: 14 -0.903186270902E+02 -0.30764E-02 -0.14855E-03 660 0.191E-01 0.513E-02
DAV: 15 -0.903215917373E+02 -0.29646E-02 -0.70416E-04 712 0.181E-01 0.407E-02
DAV: 16 -0.903228276318E+02 -0.12359E-02 -0.43717E-04 688 0.107E-01 0.312E-02
DAV: 17 -0.903235390577E+02 -0.71143E-03 -0.19197E-04 741 0.949E-02 0.172E-02
DAV: 18 -0.903237310415E+02 -0.19198E-03 -0.60715E-05 712 0.405E-02 0.155E-02
DAV: 19 -0.903239450497E+02 -0.21401E-03 -0.37713E-05 626 0.315E-02 0.698E-03
DAV: 20 -0.903240120451E+02 -0.66995E-04 -0.78264E-06 496 0.196E-02 0.378E-03
DAV: 21 -0.903240483979E+02 -0.36353E-04 -0.91849E-06 424 0.153E-02 0.344E-03
DAV: 22 -0.903240516757E+02 -0.32779E-05 -0.12843E-06 528 0.668E-03
1 F= -.90324052E+02 E0= -.90331103E+02 d E =0.211545E-01