iterations/neb0_image07_iter231_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 0.371342827767E+03 0.37134E+03 -0.14324E+04 632 0.799E+02
DAV: 2 0.373265777312E+01 -0.36761E+03 -0.35565E+03 869 0.194E+02
DAV: 3 -0.966071117213E+02 -0.10034E+03 -0.10003E+03 696 0.116E+02
DAV: 4 -0.101108314594E+03 -0.45012E+01 -0.44893E+01 696 0.277E+01
DAV: 5 -0.101198585543E+03 -0.90271E-01 -0.90212E-01 736 0.351E+00 0.227E+01
DAV: 6 -0.925804609740E+02 0.86181E+01 -0.30735E+01 720 0.299E+01 0.119E+01
DAV: 7 -0.917268987950E+02 0.85356E+00 -0.17331E+00 728 0.620E+00 0.480E+00
DAV: 8 -0.913521991851E+02 0.37470E+00 -0.54710E-01 728 0.398E+00 0.161E+00
DAV: 9 -0.912715587050E+02 0.80640E-01 -0.13013E-01 720 0.155E+00 0.420E-01
DAV: 10 -0.912628330224E+02 0.87257E-02 -0.39707E-02 760 0.102E+00 0.285E-01
DAV: 11 -0.912672073674E+02 -0.43743E-02 -0.11245E-02 613 0.553E-01 0.141E-01
DAV: 12 -0.912703163508E+02 -0.31090E-02 -0.26192E-03 624 0.266E-01 0.855E-02
DAV: 13 -0.912740019289E+02 -0.36856E-02 -0.12982E-03 636 0.169E-01 0.542E-02
DAV: 14 -0.912774249096E+02 -0.34230E-02 -0.10982E-03 749 0.249E-01 0.534E-02
DAV: 15 -0.912786253551E+02 -0.12004E-02 -0.38151E-04 704 0.119E-01 0.395E-02
DAV: 16 -0.912796131709E+02 -0.98782E-03 -0.22673E-04 744 0.855E-02 0.140E-02
DAV: 17 -0.912804775800E+02 -0.86441E-03 -0.13006E-04 704 0.585E-02 0.152E-02
DAV: 18 -0.912807414242E+02 -0.26384E-03 -0.20532E-05 560 0.232E-02 0.963E-03
DAV: 19 -0.912808680184E+02 -0.12659E-03 -0.33384E-05 618 0.309E-02 0.407E-03
DAV: 20 -0.912808938671E+02 -0.25849E-04 -0.31015E-06 496 0.123E-02 0.220E-03
DAV: 21 -0.912809053359E+02 -0.11469E-04 -0.14474E-06 432 0.515E-03 0.117E-03
DAV: 22 -0.912809125143E+02 -0.71784E-05 -0.87815E-07 439 0.394E-03
1 F= -.91280913E+02 E0= -.91286387E+02 d E =0.164221E-01