./iterations/neb0_image09_iter32_OSZICAR.out output for 745: 733-->741: H2O near HO-Si on SiO2 surface --> H-OSi + OH-Si on SiO2 surface (TSS)
Status:
running
N E dE d eps ncg rms rms(c)
DAV: 1 0.423617852395E+04 0.42362E+04 -0.23863E+05 2892 0.117E+03
DAV: 2 -0.426456951367E+03 -0.46626E+04 -0.45623E+04 3357 0.329E+02
DAV: 3 -0.942817938961E+03 -0.51636E+03 -0.51416E+03 3120 0.118E+02
DAV: 4 -0.955201759437E+03 -0.12384E+02 -0.12338E+02 3183 0.197E+01
DAV: 5 -0.955609737128E+03 -0.40798E+00 -0.40744E+00 3192 0.323E+00 0.812E+01
DAV: 6 -0.847665432257E+03 0.10794E+03 -0.47126E+02 3084 0.348E+01 0.376E+01
DAV: 7 -0.847043740220E+03 0.62169E+00 -0.14738E+01 3525 0.639E+00 0.148E+01
DAV: 8 -0.846723573004E+03 0.32017E+00 -0.20366E+00 3183 0.372E+00 0.606E+00
DAV: 9 -0.846627839458E+03 0.95734E-01 -0.71882E-01 3255 0.209E+00 0.146E+00
DAV: 10 -0.846618648522E+03 0.91909E-02 -0.16469E-01 3327 0.115E+00 0.135E+00
DAV: 11 -0.846590835837E+03 0.27813E-01 -0.32646E-02 3570 0.678E-01 0.860E-01
DAV: 12 -0.846571906275E+03 0.18930E-01 -0.99190E-02 3984 0.940E-01 0.973E-01
DAV: 13 -0.846566142786E+03 0.57635E-02 -0.40425E-02 3498 0.480E-01 0.486E-01
DAV: 14 -0.846563782779E+03 0.23600E-02 -0.74478E-02 3111 0.651E-01 0.805E-01
DAV: 15 -0.846556250417E+03 0.75324E-02 -0.17282E-02 3255 0.281E-01 0.258E-01
DAV: 16 -0.846557188599E+03 -0.93818E-03 -0.12347E-02 3021 0.296E-01 0.355E-01
DAV: 17 -0.846556136795E+03 0.10518E-02 -0.67262E-03 3381 0.160E-01 0.154E-01
DAV: 18 -0.846557631012E+03 -0.14942E-02 -0.18239E-03 2976 0.121E-01 0.139E-01
DAV: 19 -0.846560547044E+03 -0.29160E-02 -0.18890E-03 3057 0.116E-01 0.105E-01
DAV: 20 -0.846563895158E+03 -0.33481E-02 -0.14620E-03 3111 0.100E-01 0.730E-02
DAV: 21 -0.846565935949E+03 -0.20408E-02 -0.89592E-04 3093 0.705E-02 0.615E-02
DAV: 22 -0.846567779375E+03 -0.18434E-02 -0.47413E-04 3084 0.566E-02 0.509E-02
DAV: 23 -0.846568524036E+03 -0.74466E-03 -0.26184E-04 3102 0.403E-02 0.260E-02
DAV: 24 -0.846568985438E+03 -0.46140E-03 -0.15320E-04 2985 0.364E-02 0.283E-02
DAV: 25 -0.846569293752E+03 -0.30831E-03 -0.60715E-05 2661 0.173E-02 0.116E-02
DAV: 26 -0.846569511141E+03 -0.21739E-03 -0.16241E-05 1986 0.983E-03 0.677E-03
DAV: 27 -0.846569660221E+03 -0.14908E-03 -0.97329E-06 1986 0.951E-03 0.544E-03
DAV: 28 -0.846569688086E+03 -0.27866E-04 -0.62003E-06 2013 0.602E-03 0.460E-03
DAV: 29 -0.846569705920E+03 -0.17833E-04 -0.21635E-06 1959 0.385E-03 0.264E-03
DAV: 30 -0.846569722559E+03 -0.16639E-04 -0.17222E-06 1950 0.330E-03 0.158E-03
DAV: 31 -0.846569724903E+03 -0.23442E-05 -0.73095E-07 2013 0.194E-03
1 F= -.84656972E+03 E0= -.84661910E+03 d E =0.148119E+00