iterations/neb0_image06_iter5_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 0.422636131490E+04 0.42264E+04 -0.23848E+05 2892 0.117E+03 DAV: 2 -0.423684674974E+03 -0.46500E+04 -0.45520E+04 3369 0.329E+02 DAV: 3 -0.938323233079E+03 -0.51464E+03 -0.51225E+03 3120 0.118E+02 DAV: 4 -0.950724445615E+03 -0.12401E+02 -0.12356E+02 3192 0.196E+01 DAV: 5 -0.951122379477E+03 -0.39793E+00 -0.39745E+00 3192 0.318E+00 0.812E+01 DAV: 6 -0.842898872829E+03 0.10822E+03 -0.47262E+02 3048 0.347E+01 0.377E+01 DAV: 7 -0.842365165769E+03 0.53371E+00 -0.14702E+01 3480 0.628E+00 0.147E+01 DAV: 8 -0.842015203105E+03 0.34996E+00 -0.10753E+00 3201 0.245E+00 0.612E+00 DAV: 9 -0.841973425966E+03 0.41777E-01 -0.47611E-01 3201 0.157E+00 0.125E+00 DAV: 10 -0.841957948495E+03 0.15477E-01 -0.96302E-02 3273 0.631E-01 0.695E-01 DAV: 11 -0.841955327229E+03 0.26213E-02 -0.16147E-02 3120 0.287E-01 0.328E-01 DAV: 12 -0.841952567414E+03 0.27598E-02 -0.60305E-03 3210 0.255E-01 0.141E-01 DAV: 13 -0.841952910002E+03 -0.34259E-03 -0.40797E-03 3057 0.205E-01 0.118E-01 DAV: 14 -0.841955483022E+03 -0.25730E-02 -0.18892E-03 3066 0.116E-01 0.926E-02 DAV: 15 -0.841959221771E+03 -0.37387E-02 -0.69972E-04 3057 0.725E-02 0.402E-02 DAV: 16 -0.841962961362E+03 -0.37396E-02 -0.83055E-04 3048 0.729E-02 0.369E-02 DAV: 17 -0.841964703077E+03 -0.17417E-02 -0.43090E-04 3111 0.459E-02 0.268E-02 DAV: 18 -0.841965347710E+03 -0.64463E-03 -0.41320E-05 2742 0.215E-02 0.174E-02 DAV: 19 -0.841965934521E+03 -0.58681E-03 -0.62646E-05 2769 0.236E-02 0.774E-03 DAV: 20 -0.841966070459E+03 -0.13594E-03 -0.17334E-05 2076 0.107E-02 0.647E-03 DAV: 21 -0.841966157691E+03 -0.87232E-04 -0.77975E-06 2013 0.619E-03 0.323E-03 DAV: 22 -0.841966197418E+03 -0.39728E-04 -0.25193E-06 1995 0.390E-03 0.218E-03 DAV: 23 -0.841966216774E+03 -0.19356E-04 -0.26959E-06 2013 0.494E-03 0.136E-03 DAV: 24 -0.841966219888E+03 -0.31135E-05 -0.13605E-06 2004 0.243E-03 1 F= -.84196622E+03 E0= -.84197009E+03 d E =0.115958E-01