iterations/neb0_image06_iter113_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 0.376325158869E+03 0.37633E+03 -0.14315E+04 632 0.799E+02
DAV: 2 0.402941662016E+01 -0.37230E+03 -0.36033E+03 877 0.195E+02
DAV: 3 -0.955750144612E+02 -0.99604E+02 -0.99275E+02 645 0.117E+02
DAV: 4 -0.100313234579E+03 -0.47382E+01 -0.47269E+01 704 0.295E+01
DAV: 5 -0.100410374640E+03 -0.97140E-01 -0.97093E-01 728 0.376E+00 0.227E+01
DAV: 6 -0.917910707837E+02 0.86193E+01 -0.30713E+01 695 0.305E+01 0.118E+01
DAV: 7 -0.909589774333E+02 0.83209E+00 -0.17358E+00 728 0.630E+00 0.480E+00
DAV: 8 -0.905806412133E+02 0.37834E+00 -0.50080E-01 720 0.396E+00 0.167E+00
DAV: 9 -0.904898440403E+02 0.90797E-01 -0.13789E-01 720 0.171E+00 0.421E-01
DAV: 10 -0.904806171430E+02 0.92269E-02 -0.33687E-02 800 0.100E+00 0.285E-01
DAV: 11 -0.904843492169E+02 -0.37321E-02 -0.11312E-02 605 0.665E-01 0.163E-01
DAV: 12 -0.904857894030E+02 -0.14402E-02 -0.21524E-03 672 0.379E-01 0.102E-01
DAV: 13 -0.904901360114E+02 -0.43466E-02 -0.35335E-03 616 0.312E-01 0.115E-01
DAV: 14 -0.904921638620E+02 -0.20279E-02 -0.73140E-04 696 0.140E-01 0.617E-02
DAV: 15 -0.904957562359E+02 -0.35924E-02 -0.17025E-03 634 0.232E-01 0.588E-02
DAV: 16 -0.904969039989E+02 -0.11478E-02 -0.22630E-04 696 0.938E-02 0.365E-02
DAV: 17 -0.904980214556E+02 -0.11175E-02 -0.28833E-04 674 0.100E-01 0.148E-02
DAV: 18 -0.904985909006E+02 -0.56945E-03 -0.58073E-05 685 0.457E-02 0.121E-02
DAV: 19 -0.904988470766E+02 -0.25618E-03 -0.37830E-05 573 0.344E-02 0.962E-03
DAV: 20 -0.904989309409E+02 -0.83864E-04 -0.18757E-05 544 0.259E-02 0.438E-03
DAV: 21 -0.904989791844E+02 -0.48243E-04 -0.70978E-06 420 0.181E-02 0.181E-03
DAV: 22 -0.904990005930E+02 -0.21409E-04 -0.32584E-06 453 0.801E-03 0.246E-03
DAV: 23 -0.904990105639E+02 -0.99709E-05 -0.11839E-06 416 0.601E-03
1 F= -.90499011E+02 E0= -.90508584E+02 d E =0.287193E-01