iterations/neb0_image04_iter14_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 0.359190410973E+03 0.35919E+03 -0.14251E+04 632 0.799E+02
DAV: 2 0.604253697574E+01 -0.35315E+03 -0.34015E+03 834 0.192E+02
DAV: 3 -0.927685763378E+02 -0.98811E+02 -0.98334E+02 680 0.115E+02
DAV: 4 -0.975638099315E+02 -0.47952E+01 -0.47797E+01 712 0.285E+01
DAV: 5 -0.976673457198E+02 -0.10354E+00 -0.10348E+00 720 0.368E+00 0.212E+01
DAV: 6 -0.893127627935E+02 0.83546E+01 -0.31127E+01 698 0.298E+01 0.109E+01
DAV: 7 -0.885982777804E+02 0.71449E+00 -0.16254E+00 736 0.656E+00 0.471E+00
DAV: 8 -0.882379492386E+02 0.36033E+00 -0.61908E-01 720 0.441E+00 0.169E+00
DAV: 9 -0.881553229277E+02 0.82626E-01 -0.13283E-01 712 0.174E+00 0.441E-01
DAV: 10 -0.881483900831E+02 0.69328E-02 -0.29680E-02 733 0.788E-01 0.297E-01
DAV: 11 -0.881534804504E+02 -0.50904E-02 -0.19435E-02 608 0.883E-01 0.229E-01
DAV: 12 -0.881534997219E+02 -0.19271E-04 -0.39337E-03 704 0.404E-01 0.158E-01
DAV: 13 -0.881572843577E+02 -0.37846E-02 -0.83699E-03 687 0.604E-01 0.124E-01
DAV: 14 -0.881594811863E+02 -0.21968E-02 -0.12827E-03 672 0.220E-01 0.903E-02
DAV: 15 -0.881613940055E+02 -0.19128E-02 -0.15811E-03 704 0.231E-01 0.328E-02
DAV: 16 -0.881632882274E+02 -0.18942E-02 -0.27223E-04 698 0.984E-02 0.161E-02
DAV: 17 -0.881640186339E+02 -0.73041E-03 -0.63310E-05 640 0.367E-02 0.109E-02
DAV: 18 -0.881647160744E+02 -0.69744E-03 -0.88808E-05 658 0.497E-02 0.951E-03
DAV: 19 -0.881648329806E+02 -0.11691E-03 -0.90516E-06 512 0.217E-02 0.674E-03
DAV: 20 -0.881649662680E+02 -0.13329E-03 -0.37929E-05 561 0.349E-02 0.714E-03
DAV: 21 -0.881649827300E+02 -0.16462E-04 -0.53559E-06 512 0.190E-02 0.378E-03
DAV: 22 -0.881650081492E+02 -0.25419E-04 -0.94196E-06 425 0.173E-02 0.316E-03
DAV: 23 -0.881650179671E+02 -0.98179E-05 -0.27433E-06 482 0.819E-03
1 F= -.88165018E+02 E0= -.88168885E+02 d E =0.115997E-01