iterations/neb0_image03_iter159_OSZICAR.out output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status: finishedN E dE d eps ncg rms rms(c) DAV: 1 0.364538462315E+03 0.36454E+03 -0.14321E+04 632 0.799E+02 DAV: 2 0.319068771290E+00 -0.36422E+03 -0.35397E+03 869 0.195E+02 DAV: 3 -0.961147623171E+02 -0.96434E+02 -0.96129E+02 677 0.115E+02 DAV: 4 -0.100213940333E+03 -0.40992E+01 -0.40893E+01 704 0.270E+01 DAV: 5 -0.100294163726E+03 -0.80223E-01 -0.80188E-01 736 0.340E+00 0.222E+01 DAV: 6 -0.916815707655E+02 0.86126E+01 -0.30869E+01 680 0.298E+01 0.116E+01 DAV: 7 -0.908514533000E+02 0.83012E+00 -0.18295E+00 696 0.634E+00 0.483E+00 DAV: 8 -0.904560925482E+02 0.39536E+00 -0.53769E-01 704 0.422E+00 0.168E+00 DAV: 9 -0.903592682233E+02 0.96824E-01 -0.13889E-01 704 0.181E+00 0.432E-01 DAV: 10 -0.903513037507E+02 0.79645E-02 -0.42550E-02 696 0.107E+00 0.331E-01 DAV: 11 -0.903564795907E+02 -0.51758E-02 -0.14200E-02 605 0.777E-01 0.175E-01 DAV: 12 -0.903577153469E+02 -0.12358E-02 -0.40096E-03 648 0.337E-01 0.150E-01 DAV: 13 -0.903617414433E+02 -0.40261E-02 -0.56531E-03 624 0.501E-01 0.967E-02 DAV: 14 -0.903649428682E+02 -0.32014E-02 -0.11777E-03 669 0.200E-01 0.828E-02 DAV: 15 -0.903671362487E+02 -0.21934E-02 -0.89516E-04 661 0.186E-01 0.256E-02 DAV: 16 -0.903690799812E+02 -0.19437E-02 -0.40499E-04 680 0.108E-01 0.319E-02 DAV: 17 -0.903699533717E+02 -0.87339E-03 -0.90264E-05 714 0.701E-02 0.252E-02 DAV: 18 -0.903703888970E+02 -0.43553E-03 -0.95489E-05 704 0.739E-02 0.141E-02 DAV: 19 -0.903704743674E+02 -0.85470E-04 -0.31315E-05 696 0.441E-02 0.121E-02 DAV: 20 -0.903705294728E+02 -0.55105E-04 -0.65573E-06 434 0.283E-02 0.115E-02 DAV: 21 -0.903704822882E+02 0.47185E-04 0.12606E-06 420 0.388E-02 0.132E-02 DAV: 22 -0.903705739522E+02 -0.91664E-04 -0.25252E-05 537 0.582E-02 0.134E-02 DAV: 23 -0.903706229809E+02 -0.49029E-04 -0.65803E-05 816 0.118E-01 0.206E-02 DAV: 24 -0.903706625950E+02 -0.39614E-04 -0.92944E-05 648 0.567E-02 0.215E-02 DAV: 25 -0.903706724482E+02 -0.98532E-05 -0.59934E-06 536 0.485E-02 1 F= -.90370672E+02 E0= -.90378902E+02 d E =0.246886E-01