iterations/neb0_image08_iter3_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 0.423304208828E+04 0.42330E+04 -0.23859E+05 2892 0.117E+03 DAV: 2 -0.423878602027E+03 -0.46569E+04 -0.45570E+04 3342 0.329E+02 DAV: 3 -0.940947811374E+03 -0.51707E+03 -0.51474E+03 3120 0.118E+02 DAV: 4 -0.953409950373E+03 -0.12462E+02 -0.12415E+02 3183 0.197E+01 DAV: 5 -0.953821346306E+03 -0.41140E+00 -0.41086E+00 3183 0.323E+00 0.813E+01 DAV: 6 -0.845532169655E+03 0.10829E+03 -0.47167E+02 3057 0.347E+01 0.377E+01 DAV: 7 -0.845023231307E+03 0.50894E+00 -0.14438E+01 3516 0.612E+00 0.146E+01 DAV: 8 -0.844665584581E+03 0.35765E+00 -0.94036E-01 3156 0.231E+00 0.601E+00 DAV: 9 -0.844598850772E+03 0.66734E-01 -0.43389E-01 3183 0.153E+00 0.899E-01 DAV: 10 -0.844594884900E+03 0.39659E-02 -0.63614E-02 3138 0.574E-01 0.582E-01 DAV: 11 -0.844588393097E+03 0.64918E-02 -0.89686E-03 3111 0.240E-01 0.305E-01 DAV: 12 -0.844583311135E+03 0.50820E-02 -0.53846E-03 3174 0.243E-01 0.123E-01 DAV: 13 -0.844582947236E+03 0.36390E-03 -0.50625E-03 3039 0.254E-01 0.138E-01 DAV: 14 -0.844586977276E+03 -0.40300E-02 -0.36269E-03 3057 0.159E-01 0.819E-02 DAV: 15 -0.844590103304E+03 -0.31260E-02 -0.57868E-04 3066 0.643E-02 0.460E-02 DAV: 16 -0.844593766789E+03 -0.36635E-02 -0.72932E-04 3066 0.698E-02 0.330E-02 DAV: 17 -0.844595118359E+03 -0.13516E-02 -0.23939E-04 3120 0.352E-02 0.261E-02 DAV: 18 -0.844595921873E+03 -0.80351E-03 -0.42162E-05 2742 0.181E-02 0.156E-02 DAV: 19 -0.844596596880E+03 -0.67501E-03 -0.33042E-05 2544 0.175E-02 0.686E-03 DAV: 20 -0.844596802133E+03 -0.20525E-03 -0.21012E-05 2202 0.138E-02 0.511E-03 DAV: 21 -0.844596848395E+03 -0.46262E-04 -0.92715E-06 1995 0.748E-03 0.530E-03 DAV: 22 -0.844596873485E+03 -0.25090E-04 -0.26047E-06 1977 0.341E-03 0.334E-03 DAV: 23 -0.844596884939E+03 -0.11454E-04 -0.19907E-06 1986 0.297E-03 0.151E-03 DAV: 24 -0.844596886924E+03 -0.19856E-05 -0.66500E-07 1995 0.170E-03 1 F= -.84459689E+03 E0= -.84460075E+03 d E =0.115959E-01