iterations/neb0_image09_iter143_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 0.374378800689E+03 0.37438E+03 -0.14280E+04 624 0.799E+02
DAV: 2 0.239834950672E+01 -0.37198E+03 -0.35977E+03 877 0.196E+02
DAV: 3 -0.966892661784E+02 -0.99088E+02 -0.98751E+02 653 0.117E+02
DAV: 4 -0.101217548600E+03 -0.45283E+01 -0.45183E+01 712 0.289E+01
DAV: 5 -0.101307038739E+03 -0.89490E-01 -0.89450E-01 736 0.367E+00 0.227E+01
DAV: 6 -0.926620090904E+02 0.86450E+01 -0.30883E+01 712 0.301E+01 0.119E+01
DAV: 7 -0.918012047277E+02 0.86080E+00 -0.17112E+00 720 0.615E+00 0.480E+00
DAV: 8 -0.914256002958E+02 0.37560E+00 -0.54849E-01 712 0.397E+00 0.162E+00
DAV: 9 -0.913439271470E+02 0.81673E-01 -0.13026E-01 712 0.155E+00 0.422E-01
DAV: 10 -0.913352871871E+02 0.86400E-02 -0.43514E-02 760 0.108E+00 0.298E-01
DAV: 11 -0.913396471746E+02 -0.43600E-02 -0.11483E-02 616 0.556E-01 0.135E-01
DAV: 12 -0.913428065531E+02 -0.31594E-02 -0.29265E-03 618 0.253E-01 0.102E-01
DAV: 13 -0.913463662118E+02 -0.35597E-02 -0.96149E-04 664 0.171E-01 0.498E-02
DAV: 14 -0.913498791280E+02 -0.35129E-02 -0.92561E-04 656 0.172E-01 0.397E-02
DAV: 15 -0.913510680605E+02 -0.11889E-02 -0.15559E-04 752 0.875E-02 0.358E-02
DAV: 16 -0.913524612462E+02 -0.13932E-02 -0.31135E-04 644 0.900E-02 0.159E-02
DAV: 17 -0.913529476634E+02 -0.48642E-03 -0.64061E-05 688 0.503E-02 0.152E-02
DAV: 18 -0.913532263961E+02 -0.27873E-03 -0.64980E-05 629 0.429E-02 0.886E-03
DAV: 19 -0.913532786258E+02 -0.52230E-04 -0.59286E-06 496 0.164E-02 0.591E-03
DAV: 20 -0.913533112100E+02 -0.32584E-04 -0.92710E-06 426 0.180E-02 0.190E-03
DAV: 21 -0.913533332416E+02 -0.22032E-04 -0.33502E-06 434 0.856E-03 0.220E-03
DAV: 22 -0.913533385229E+02 -0.52813E-05 -0.86783E-07 458 0.394E-03
1 F= -.91353339E+02 E0= -.91358181E+02 d E =0.145275E-01