iterations/neb0_image05_iter177_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 0.370431538219E+03 0.37043E+03 -0.14306E+04 624 0.799E+02
DAV: 2 0.346082948675E+01 -0.36697E+03 -0.35427E+03 858 0.195E+02
DAV: 3 -0.954145119662E+02 -0.98875E+02 -0.98547E+02 672 0.116E+02
DAV: 4 -0.100014027957E+03 -0.45995E+01 -0.45889E+01 696 0.283E+01
DAV: 5 -0.100108408356E+03 -0.94380E-01 -0.94332E-01 720 0.357E+00 0.223E+01
DAV: 6 -0.915728668126E+02 0.85355E+01 -0.30385E+01 680 0.298E+01 0.117E+01
DAV: 7 -0.907669585462E+02 0.80591E+00 -0.18396E+00 736 0.638E+00 0.482E+00
DAV: 8 -0.903930442711E+02 0.37391E+00 -0.52005E-01 736 0.418E+00 0.171E+00
DAV: 9 -0.903037506535E+02 0.89294E-01 -0.14179E-01 712 0.169E+00 0.437E-01
DAV: 10 -0.902963703429E+02 0.73803E-02 -0.43374E-02 760 0.130E+00 0.317E-01
DAV: 11 -0.902990013483E+02 -0.26310E-02 -0.60316E-03 632 0.488E-01 0.171E-01
DAV: 12 -0.903016721759E+02 -0.26708E-02 -0.72085E-03 626 0.490E-01 0.120E-01
DAV: 13 -0.903046279714E+02 -0.29558E-02 -0.11586E-03 741 0.259E-01 0.774E-02
DAV: 14 -0.903078090748E+02 -0.31811E-02 -0.14062E-03 663 0.172E-01 0.454E-02
DAV: 15 -0.903109854007E+02 -0.31763E-02 -0.42884E-04 677 0.101E-01 0.366E-02
DAV: 16 -0.903123782390E+02 -0.13928E-02 -0.31751E-04 704 0.981E-02 0.185E-02
DAV: 17 -0.903132381794E+02 -0.85994E-03 -0.84281E-05 631 0.483E-02 0.178E-02
DAV: 18 -0.903135524760E+02 -0.31430E-03 -0.48657E-05 656 0.347E-02 0.957E-03
DAV: 19 -0.903136645962E+02 -0.11212E-03 -0.14324E-05 458 0.209E-02 0.333E-03
DAV: 20 -0.903137253017E+02 -0.60705E-04 -0.83306E-06 453 0.126E-02 0.335E-03
DAV: 21 -0.903137512429E+02 -0.25941E-04 -0.27740E-06 458 0.718E-03 0.206E-03
DAV: 22 -0.903137615768E+02 -0.10334E-04 -0.27093E-06 442 0.788E-03 0.156E-03
DAV: 23 -0.903137623674E+02 -0.79065E-06 -0.64537E-07 520 0.555E-03
1 F= -.90313762E+02 E0= -.90321832E+02 d E =0.242079E-01