./iterations/neb0_image03_iter16_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 0.362023744773E+03 0.36202E+03 -0.14291E+04 632 0.799E+02
DAV: 2 0.433212793550E+01 -0.35769E+03 -0.34490E+03 845 0.193E+02
DAV: 3 -0.945014338164E+02 -0.98834E+02 -0.98464E+02 680 0.115E+02
DAV: 4 -0.991189524881E+02 -0.46175E+01 -0.45986E+01 704 0.281E+01
DAV: 5 -0.992140863863E+02 -0.95134E-01 -0.95084E-01 728 0.358E+00 0.217E+01
DAV: 6 -0.905677741637E+02 0.86463E+01 -0.31621E+01 717 0.303E+01 0.113E+01
DAV: 7 -0.898094881413E+02 0.75829E+00 -0.17544E+00 712 0.642E+00 0.480E+00
DAV: 8 -0.894223076710E+02 0.38718E+00 -0.57620E-01 704 0.438E+00 0.175E+00
DAV: 9 -0.893249198852E+02 0.97388E-01 -0.14370E-01 728 0.179E+00 0.442E-01
DAV: 10 -0.893162875462E+02 0.86323E-02 -0.39088E-02 712 0.101E+00 0.320E-01
DAV: 11 -0.893212784262E+02 -0.49909E-02 -0.15076E-02 608 0.731E-01 0.185E-01
DAV: 12 -0.893218006652E+02 -0.52224E-03 -0.33110E-03 680 0.342E-01 0.139E-01
DAV: 13 -0.893265753341E+02 -0.47747E-02 -0.83455E-03 690 0.623E-01 0.136E-01
DAV: 14 -0.893280431894E+02 -0.14679E-02 -0.14172E-03 768 0.248E-01 0.893E-02
DAV: 15 -0.893302027177E+02 -0.21595E-02 -0.13733E-03 644 0.207E-01 0.270E-02
DAV: 16 -0.893319812930E+02 -0.17786E-02 -0.32455E-04 725 0.931E-02 0.343E-02
DAV: 17 -0.893329056556E+02 -0.92436E-03 -0.67582E-05 618 0.486E-02 0.227E-02
DAV: 18 -0.893335421535E+02 -0.63650E-03 -0.29257E-04 703 0.103E-01 0.228E-02
DAV: 19 -0.893336519964E+02 -0.10984E-03 -0.43929E-05 696 0.507E-02 0.108E-02
DAV: 20 -0.893337250722E+02 -0.73076E-04 -0.24078E-05 538 0.248E-02 0.287E-03
DAV: 21 -0.893337997090E+02 -0.74637E-04 -0.69692E-06 450 0.123E-02 0.174E-03
DAV: 22 -0.893338342570E+02 -0.34548E-04 -0.51515E-06 482 0.826E-03 0.201E-03
DAV: 23 -0.893338415242E+02 -0.72672E-05 -0.16661E-06 464 0.872E-03
1 F= -.89333842E+02 E0= -.89340566E+02 d E =0.201742E-01