iterations/neb0_image05_iter9_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 0.422147792046E+04 0.42215E+04 -0.23840E+05 2892 0.117E+03 DAV: 2 -0.423640659865E+03 -0.46451E+04 -0.45486E+04 3360 0.328E+02 DAV: 3 -0.938096086432E+03 -0.51446E+03 -0.51209E+03 3120 0.118E+02 DAV: 4 -0.950556737588E+03 -0.12461E+02 -0.12416E+02 3219 0.196E+01 DAV: 5 -0.950944356801E+03 -0.38762E+00 -0.38712E+00 3174 0.315E+00 0.809E+01 DAV: 6 -0.843068754232E+03 0.10788E+03 -0.47275E+02 3057 0.347E+01 0.375E+01 DAV: 7 -0.842606244655E+03 0.46251E+00 -0.14396E+01 3480 0.618E+00 0.146E+01 DAV: 8 -0.842281820820E+03 0.32442E+00 -0.94330E-01 3165 0.231E+00 0.601E+00 DAV: 9 -0.842247422566E+03 0.34398E-01 -0.39385E-01 3156 0.150E+00 0.872E-01 DAV: 10 -0.842248285074E+03 -0.86251E-03 -0.66292E-02 3147 0.559E-01 0.620E-01 DAV: 11 -0.842246194628E+03 0.20904E-02 -0.74701E-03 3129 0.221E-01 0.317E-01 DAV: 12 -0.842244101049E+03 0.20936E-02 -0.53639E-03 3120 0.237E-01 0.116E-01 DAV: 13 -0.842245364446E+03 -0.12634E-02 -0.44460E-03 3084 0.217E-01 0.132E-01 DAV: 14 -0.842248351492E+03 -0.29870E-02 -0.23661E-03 3084 0.120E-01 0.891E-02 DAV: 15 -0.842250850708E+03 -0.24992E-02 -0.44870E-04 3066 0.484E-02 0.462E-02 DAV: 16 -0.842254851866E+03 -0.40012E-02 -0.92045E-04 3066 0.672E-02 0.397E-02 DAV: 17 -0.842255781010E+03 -0.92914E-03 -0.24163E-04 3120 0.335E-02 0.273E-02 DAV: 18 -0.842256507681E+03 -0.72667E-03 -0.34563E-05 2607 0.165E-02 0.159E-02 DAV: 19 -0.842257220000E+03 -0.71232E-03 -0.39684E-05 2589 0.202E-02 0.897E-03 DAV: 20 -0.842257393208E+03 -0.17321E-03 -0.30721E-05 2535 0.157E-02 0.577E-03 DAV: 21 -0.842257438050E+03 -0.44842E-04 -0.65365E-06 2004 0.613E-03 0.564E-03 DAV: 22 -0.842257464519E+03 -0.26469E-04 -0.21501E-06 2004 0.327E-03 0.379E-03 DAV: 23 -0.842257476547E+03 -0.12028E-04 -0.18856E-06 1977 0.309E-03 0.188E-03 DAV: 24 -0.842257478344E+03 -0.17975E-05 -0.67757E-07 1986 0.166E-03 1 F= -.84225748E+03 E0= -.84226538E+03 d E =0.237074E-01