iterations/neb0_image03_iter255_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 0.362892111371E+03 0.36289E+03 -0.14321E+04 632 0.799E+02
DAV: 2 0.512211888564E+00 -0.36238E+03 -0.35191E+03 853 0.195E+02
DAV: 3 -0.960005795391E+02 -0.96513E+02 -0.96212E+02 661 0.115E+02
DAV: 4 -0.100291468688E+03 -0.42909E+01 -0.42812E+01 712 0.279E+01
DAV: 5 -0.100376112954E+03 -0.84644E-01 -0.84617E-01 744 0.351E+00 0.222E+01
DAV: 6 -0.917151046865E+02 0.86610E+01 -0.31324E+01 680 0.300E+01 0.117E+01
DAV: 7 -0.908799091422E+02 0.83520E+00 -0.17930E+00 720 0.636E+00 0.485E+00
DAV: 8 -0.904882658357E+02 0.39164E+00 -0.55757E-01 696 0.429E+00 0.169E+00
DAV: 9 -0.903968850453E+02 0.91381E-01 -0.13378E-01 704 0.167E+00 0.437E-01
DAV: 10 -0.903907529397E+02 0.61321E-02 -0.50215E-02 712 0.126E+00 0.340E-01
DAV: 11 -0.903949131360E+02 -0.41602E-02 -0.84536E-03 688 0.640E-01 0.120E-01
DAV: 12 -0.903984161002E+02 -0.35030E-02 -0.60790E-03 624 0.361E-01 0.130E-01
DAV: 13 -0.904022659573E+02 -0.38499E-02 -0.17599E-03 845 0.324E-01 0.889E-02
DAV: 14 -0.904053813766E+02 -0.31154E-02 -0.12846E-03 656 0.163E-01 0.628E-02
DAV: 15 -0.904075916216E+02 -0.22102E-02 -0.36940E-04 661 0.103E-01 0.356E-02
DAV: 16 -0.904089540575E+02 -0.13624E-02 -0.47127E-04 661 0.116E-01 0.289E-02
DAV: 17 -0.904097818553E+02 -0.82780E-03 -0.20678E-04 823 0.912E-02 0.124E-02
DAV: 18 -0.904100077418E+02 -0.22589E-03 -0.46544E-05 688 0.337E-02 0.108E-02
DAV: 19 -0.904100882455E+02 -0.80504E-04 -0.11980E-05 472 0.220E-02 0.412E-03
DAV: 20 -0.904101678752E+02 -0.79630E-04 -0.22236E-05 514 0.241E-02 0.576E-03
DAV: 21 -0.904101886302E+02 -0.20755E-04 -0.28070E-06 496 0.962E-03 0.408E-03
DAV: 22 -0.904101922347E+02 -0.36045E-05 -0.21197E-06 528 0.861E-03
1 F= -.90410192E+02 E0= -.90417477E+02 d E =0.218541E-01