iterations/neb0_image07_iter41_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 0.375652768731E+03 0.37565E+03 -0.14321E+04 632 0.799E+02
DAV: 2 0.393382002177E+01 -0.37172E+03 -0.35863E+03 861 0.195E+02
DAV: 3 -0.961694885784E+02 -0.10010E+03 -0.99765E+02 656 0.117E+02
DAV: 4 -0.100706828080E+03 -0.45373E+01 -0.45257E+01 712 0.290E+01
DAV: 5 -0.100796510085E+03 -0.89682E-01 -0.89652E-01 728 0.366E+00 0.228E+01
DAV: 6 -0.921383282398E+02 0.86582E+01 -0.30497E+01 685 0.304E+01 0.119E+01
DAV: 7 -0.912629110582E+02 0.87542E+00 -0.16903E+00 720 0.618E+00 0.481E+00
DAV: 8 -0.908825417752E+02 0.38037E+00 -0.54804E-01 696 0.406E+00 0.164E+00
DAV: 9 -0.907978358777E+02 0.84706E-01 -0.13220E-01 712 0.161E+00 0.431E-01
DAV: 10 -0.907884130405E+02 0.94228E-02 -0.42575E-02 744 0.107E+00 0.301E-01
DAV: 11 -0.907934796192E+02 -0.50666E-02 -0.14783E-02 610 0.701E-01 0.180E-01
DAV: 12 -0.907948217888E+02 -0.13422E-02 -0.23078E-03 672 0.262E-01 0.125E-01
DAV: 13 -0.907994507804E+02 -0.46290E-02 -0.46653E-03 622 0.418E-01 0.823E-02
DAV: 14 -0.908009499842E+02 -0.14992E-02 -0.72163E-04 704 0.185E-01 0.528E-02
DAV: 15 -0.908041432428E+02 -0.31933E-02 -0.97531E-04 695 0.193E-01 0.348E-02
DAV: 16 -0.908052730896E+02 -0.11298E-02 -0.13274E-04 677 0.711E-02 0.296E-02
DAV: 17 -0.908061663277E+02 -0.89324E-03 -0.15412E-04 682 0.744E-02 0.109E-02
DAV: 18 -0.908067663769E+02 -0.60005E-03 -0.79208E-05 658 0.374E-02 0.118E-02
DAV: 19 -0.908068679683E+02 -0.10159E-03 -0.45329E-06 512 0.129E-02 0.933E-03
DAV: 20 -0.908069545698E+02 -0.86602E-04 -0.24169E-05 461 0.278E-02 0.518E-03
DAV: 21 -0.908069556870E+02 -0.11172E-05 -0.34439E-06 544 0.993E-03
1 F= -.90806956E+02 E0= -.90812592E+02 d E =0.169082E-01