iterations/neb0_image09_iter41_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 0.423674134819E+04 0.42367E+04 -0.23863E+05 2892 0.117E+03 DAV: 2 -0.427762713817E+03 -0.46645E+04 -0.45646E+04 3366 0.329E+02 DAV: 3 -0.942937738100E+03 -0.51518E+03 -0.51301E+03 3120 0.118E+02 DAV: 4 -0.955236783186E+03 -0.12299E+02 -0.12254E+02 3183 0.196E+01 DAV: 5 -0.955641019714E+03 -0.40424E+00 -0.40370E+00 3192 0.321E+00 0.813E+01 DAV: 6 -0.847630577590E+03 0.10801E+03 -0.47153E+02 3057 0.348E+01 0.376E+01 DAV: 7 -0.847069677673E+03 0.56090E+00 -0.14651E+01 3507 0.624E+00 0.148E+01 DAV: 8 -0.846726402970E+03 0.34327E+00 -0.17427E+00 3246 0.356E+00 0.607E+00 DAV: 9 -0.846640857601E+03 0.85545E-01 -0.68776E-01 3219 0.202E+00 0.153E+00 DAV: 10 -0.846629650429E+03 0.11207E-01 -0.17106E-01 3552 0.125E+00 0.130E+00 DAV: 11 -0.846590964180E+03 0.38686E-01 -0.46535E-02 3498 0.814E-01 0.782E-01 DAV: 12 -0.846594855821E+03 -0.38916E-02 -0.16880E-01 4029 0.102E+00 0.121E+00 DAV: 13 -0.846581718606E+03 0.13137E-01 -0.19040E-01 3669 0.810E-01 0.703E-01 DAV: 14 -0.846571260448E+03 0.10458E-01 -0.41694E-02 3048 0.462E-01 0.292E-01 DAV: 15 -0.846570676900E+03 0.58355E-03 -0.16735E-02 3174 0.373E-01 0.416E-01 DAV: 16 -0.846569924270E+03 0.75263E-03 -0.83419E-03 3102 0.218E-01 0.404E-01 DAV: 17 -0.846568801535E+03 0.11227E-02 -0.60426E-03 3444 0.187E-01 0.151E-01 DAV: 18 -0.846570576321E+03 -0.17748E-02 -0.22134E-03 3030 0.112E-01 0.865E-02 DAV: 19 -0.846573420833E+03 -0.28445E-02 -0.14568E-03 3192 0.142E-01 0.829E-02 DAV: 20 -0.846576559528E+03 -0.31387E-02 -0.12492E-03 3075 0.855E-02 0.549E-02 DAV: 21 -0.846578608903E+03 -0.20494E-02 -0.39755E-04 3093 0.498E-02 0.396E-02 DAV: 22 -0.846580118935E+03 -0.15100E-02 -0.21315E-04 3084 0.350E-02 0.343E-02 DAV: 23 -0.846581384073E+03 -0.12651E-02 -0.10285E-04 2985 0.258E-02 0.136E-02 DAV: 24 -0.846581787274E+03 -0.40320E-03 -0.40002E-05 2409 0.184E-02 0.132E-02 DAV: 25 -0.846582010538E+03 -0.22326E-03 -0.18638E-05 1968 0.103E-02 0.768E-03 DAV: 26 -0.846582149860E+03 -0.13932E-03 -0.11347E-05 1977 0.106E-02 0.704E-03 DAV: 27 -0.846582226137E+03 -0.76277E-04 -0.78452E-06 1959 0.686E-03 0.236E-03 DAV: 28 -0.846582254739E+03 -0.28602E-04 -0.36771E-06 1995 0.503E-03 0.180E-03 DAV: 29 -0.846582260750E+03 -0.60105E-05 -0.17554E-06 2004 0.285E-03 1 F= -.84658226E+03 E0= -.84663221E+03 d E =0.149838E+00