iterations/neb0_image05_iter42_OSZICAR.out output for 745: 733-->741: H2O near HO-Si on SiO2 surface --> H-OSi + OH-Si on SiO2 surface (TSS)
Status: runningN E dE d eps ncg rms rms(c) DAV: 1 0.424042694585E+04 0.42404E+04 -0.23861E+05 2892 0.117E+03 DAV: 2 -0.423401214712E+03 -0.46638E+04 -0.45681E+04 3342 0.329E+02 DAV: 3 -0.941772456937E+03 -0.51837E+03 -0.51606E+03 3120 0.118E+02 DAV: 4 -0.954260496017E+03 -0.12488E+02 -0.12440E+02 3174 0.197E+01 DAV: 5 -0.954672401163E+03 -0.41191E+00 -0.41133E+00 3183 0.323E+00 0.811E+01 DAV: 6 -0.846666160957E+03 0.10801E+03 -0.46976E+02 3048 0.347E+01 0.375E+01 DAV: 7 -0.846177058541E+03 0.48910E+00 -0.14545E+01 3534 0.610E+00 0.146E+01 DAV: 8 -0.845808011934E+03 0.36905E+00 -0.97922E-01 3165 0.240E+00 0.595E+00 DAV: 9 -0.845714694356E+03 0.93318E-01 -0.43340E-01 3183 0.159E+00 0.108E+00 DAV: 10 -0.845717052973E+03 -0.23586E-02 -0.10559E-01 3615 0.102E+00 0.155E+00 DAV: 11 -0.845676932379E+03 0.40121E-01 -0.40348E-02 3543 0.692E-01 0.105E+00 DAV: 12 -0.845668479133E+03 0.84532E-02 -0.35943E-02 3228 0.422E-01 0.728E-01 DAV: 13 -0.845659461198E+03 0.90179E-02 -0.13413E-02 3120 0.383E-01 0.317E-01 DAV: 14 -0.845656884966E+03 0.25762E-02 -0.16036E-02 3489 0.351E-01 0.289E-01 DAV: 15 -0.845654244079E+03 0.26409E-02 -0.69917E-03 3129 0.285E-01 0.164E-01 DAV: 16 -0.845654870399E+03 -0.62632E-03 -0.44338E-03 3057 0.171E-01 0.132E-01 DAV: 17 -0.845656486388E+03 -0.16160E-02 -0.16608E-03 3066 0.123E-01 0.936E-02 DAV: 18 -0.845660644540E+03 -0.41582E-02 -0.40754E-03 3156 0.131E-01 0.218E-01 DAV: 19 -0.845660784169E+03 -0.13963E-03 -0.13907E-03 3147 0.115E-01 0.657E-02 DAV: 20 -0.845663001808E+03 -0.22176E-02 -0.77492E-04 3075 0.630E-02 0.757E-02 DAV: 21 -0.845665068438E+03 -0.20666E-02 -0.26097E-04 3093 0.401E-02 0.744E-02 DAV: 22 -0.845666044327E+03 -0.97589E-03 -0.18744E-04 3255 0.434E-02 0.292E-02 DAV: 23 -0.845666827059E+03 -0.78273E-03 -0.10865E-04 3039 0.269E-02 0.198E-02 DAV: 24 -0.845667184060E+03 -0.35700E-03 -0.26416E-05 2031 0.152E-02 0.177E-02 DAV: 25 -0.845667439881E+03 -0.25582E-03 -0.25871E-05 2337 0.131E-02 0.701E-03 DAV: 26 -0.845667547870E+03 -0.10799E-03 -0.67011E-06 1995 0.853E-03 0.473E-03 DAV: 27 -0.845667577152E+03 -0.29282E-04 -0.45852E-06 1986 0.449E-03 0.450E-03 DAV: 28 -0.845667586064E+03 -0.89127E-05 -0.10816E-06 2013 0.194E-03 1 F= -.84566759E+03 E0= -.84571497E+03 d E =0.142141E+00