./iterations/neb0_image07_iter129_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 0.375327374567E+03 0.37533E+03 -0.14273E+04 624 0.799E+02
DAV: 2 0.336805949751E+01 -0.37196E+03 -0.35933E+03 877 0.195E+02
DAV: 3 -0.965588919831E+02 -0.99927E+02 -0.99608E+02 677 0.117E+02
DAV: 4 -0.100977019399E+03 -0.44181E+01 -0.44051E+01 720 0.278E+01
DAV: 5 -0.101064522789E+03 -0.87503E-01 -0.87470E-01 728 0.352E+00 0.226E+01
DAV: 6 -0.925081511075E+02 0.85564E+01 -0.30777E+01 712 0.302E+01 0.118E+01
DAV: 7 -0.916673528490E+02 0.84080E+00 -0.16519E+00 728 0.612E+00 0.480E+00
DAV: 8 -0.912910657701E+02 0.37629E+00 -0.54951E-01 712 0.400E+00 0.163E+00
DAV: 9 -0.912083368789E+02 0.82729E-01 -0.12949E-01 712 0.155E+00 0.423E-01
DAV: 10 -0.911990281086E+02 0.93088E-02 -0.46381E-02 744 0.110E+00 0.305E-01
DAV: 11 -0.912040892407E+02 -0.50611E-02 -0.13963E-02 616 0.618E-01 0.159E-01
DAV: 12 -0.912066859878E+02 -0.25967E-02 -0.28449E-03 645 0.243E-01 0.132E-01
DAV: 13 -0.912105320513E+02 -0.38461E-02 -0.25101E-03 669 0.290E-01 0.528E-02
DAV: 14 -0.912129526280E+02 -0.24206E-02 -0.43361E-04 672 0.108E-01 0.421E-02
DAV: 15 -0.912155702409E+02 -0.26176E-02 -0.29103E-04 634 0.758E-02 0.319E-02
DAV: 16 -0.912163699612E+02 -0.79972E-03 -0.21140E-04 688 0.707E-02 0.167E-02
DAV: 17 -0.912170286685E+02 -0.65871E-03 -0.76119E-05 631 0.429E-02 0.108E-02
DAV: 18 -0.912171829313E+02 -0.15426E-03 -0.14831E-05 480 0.199E-02 0.609E-03
DAV: 19 -0.912172301094E+02 -0.47178E-04 -0.80386E-06 477 0.164E-02 0.331E-03
DAV: 20 -0.912172603982E+02 -0.30289E-04 -0.31558E-06 415 0.106E-02 0.265E-03
DAV: 21 -0.912172875780E+02 -0.27180E-04 -0.46244E-06 425 0.889E-03 0.194E-03
DAV: 22 -0.912172893429E+02 -0.17649E-05 -0.94627E-07 528 0.564E-03
1 F= -.91217289E+02 E0= -.91222426E+02 d E =0.154099E-01