iterations/neb0_image02_iter215_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 0.366792130487E+03 0.36679E+03 -0.14298E+04 624 0.799E+02
DAV: 2 0.139391033477E+01 -0.36540E+03 -0.35445E+03 869 0.196E+02
DAV: 3 -0.957363330183E+02 -0.97130E+02 -0.96798E+02 648 0.116E+02
DAV: 4 -0.100248664775E+03 -0.45123E+01 -0.45018E+01 696 0.289E+01
DAV: 5 -0.100337479154E+03 -0.88814E-01 -0.88775E-01 736 0.364E+00 0.222E+01
DAV: 6 -0.916780186926E+02 0.86595E+01 -0.30965E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908565232576E+02 0.82150E+00 -0.18339E+00 712 0.637E+00 0.484E+00
DAV: 8 -0.904753247084E+02 0.38120E+00 -0.55394E-01 696 0.431E+00 0.169E+00
DAV: 9 -0.903894299577E+02 0.85895E-01 -0.13644E-01 720 0.168E+00 0.428E-01
DAV: 10 -0.903843462751E+02 0.50837E-02 -0.48960E-02 704 0.126E+00 0.330E-01
DAV: 11 -0.903880900590E+02 -0.37438E-02 -0.81071E-03 624 0.613E-01 0.117E-01
DAV: 12 -0.903909356973E+02 -0.28456E-02 -0.62803E-03 640 0.393E-01 0.132E-01
DAV: 13 -0.903936615680E+02 -0.27259E-02 -0.18416E-03 864 0.331E-01 0.827E-02
DAV: 14 -0.903968493755E+02 -0.31878E-02 -0.12912E-03 621 0.164E-01 0.686E-02
DAV: 15 -0.903987216740E+02 -0.18723E-02 -0.33430E-04 704 0.109E-01 0.482E-02
DAV: 16 -0.904001811403E+02 -0.14595E-02 -0.93025E-04 680 0.175E-01 0.397E-02
DAV: 17 -0.904008203523E+02 -0.63921E-03 -0.16821E-04 848 0.884E-02 0.217E-02
DAV: 18 -0.904010485508E+02 -0.22820E-03 -0.49858E-05 688 0.352E-02 0.891E-03
DAV: 19 -0.904012644494E+02 -0.21590E-03 -0.36365E-05 577 0.290E-02 0.505E-03
DAV: 20 -0.904012943452E+02 -0.29896E-04 -0.31378E-06 504 0.120E-02 0.450E-03
DAV: 21 -0.904013518858E+02 -0.57541E-04 -0.11200E-05 406 0.169E-02 0.337E-03
DAV: 22 -0.904013575501E+02 -0.56643E-05 -0.26718E-06 496 0.986E-03
1 F= -.90401358E+02 E0= -.90408335E+02 d E =0.209321E-01