iterations/neb0_image01_iter261_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 0.362963996966E+03 0.36296E+03 -0.14333E+04 632 0.799E+02
DAV: 2 0.317384452491E+01 -0.35979E+03 -0.34613E+03 831 0.195E+02
DAV: 3 -0.955901801931E+02 -0.98764E+02 -0.98414E+02 664 0.116E+02
DAV: 4 -0.100253282138E+03 -0.46631E+01 -0.46509E+01 688 0.291E+01
DAV: 5 -0.100344678436E+03 -0.91396E-01 -0.91356E-01 744 0.367E+00 0.222E+01
DAV: 6 -0.917070683237E+02 0.86376E+01 -0.30951E+01 677 0.299E+01 0.117E+01
DAV: 7 -0.908944376371E+02 0.81263E+00 -0.18315E+00 712 0.638E+00 0.485E+00
DAV: 8 -0.905153519215E+02 0.37909E+00 -0.55628E-01 696 0.431E+00 0.168E+00
DAV: 9 -0.904316110834E+02 0.83741E-01 -0.13533E-01 728 0.165E+00 0.426E-01
DAV: 10 -0.904267722706E+02 0.48388E-02 -0.45783E-02 728 0.124E+00 0.317E-01
DAV: 11 -0.904306092874E+02 -0.38370E-02 -0.65728E-03 608 0.497E-01 0.136E-01
DAV: 12 -0.904342102584E+02 -0.36010E-02 -0.71063E-03 637 0.494E-01 0.132E-01
DAV: 13 -0.904367700885E+02 -0.25598E-02 -0.16330E-03 869 0.313E-01 0.742E-02
DAV: 14 -0.904397999758E+02 -0.30299E-02 -0.13019E-03 642 0.172E-01 0.591E-02
DAV: 15 -0.904417369396E+02 -0.19370E-02 -0.37090E-04 680 0.112E-01 0.475E-02
DAV: 16 -0.904432019516E+02 -0.14650E-02 -0.84508E-04 666 0.174E-01 0.350E-02
DAV: 17 -0.904439186887E+02 -0.71674E-03 -0.12199E-04 672 0.778E-02 0.278E-02
DAV: 18 -0.904441934496E+02 -0.27476E-03 -0.11702E-04 664 0.563E-02 0.966E-03
DAV: 19 -0.904443501716E+02 -0.15672E-03 -0.32596E-05 525 0.297E-02 0.643E-03
DAV: 20 -0.904443800661E+02 -0.29895E-04 -0.55649E-06 488 0.164E-02 0.810E-03
DAV: 21 -0.904444109222E+02 -0.30856E-04 -0.56287E-06 417 0.156E-02 0.478E-03
DAV: 22 -0.904444202690E+02 -0.93468E-05 -0.53849E-06 480 0.139E-02
1 F= -.90444420E+02 E0= -.90449729E+02 d E =0.159267E-01