iterations/neb0_image06_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 0.424013993839E+04 0.42401E+04 -0.23863E+05 2892 0.117E+03 DAV: 2 -0.428261445748E+03 -0.46684E+04 -0.45719E+04 3366 0.329E+02 DAV: 3 -0.942351840356E+03 -0.51409E+03 -0.51185E+03 3120 0.117E+02 DAV: 4 -0.954615536261E+03 -0.12264E+02 -0.12218E+02 3183 0.196E+01 DAV: 5 -0.955017708642E+03 -0.40217E+00 -0.40162E+00 3183 0.321E+00 0.811E+01 DAV: 6 -0.846967453333E+03 0.10805E+03 -0.47012E+02 3057 0.347E+01 0.375E+01 DAV: 7 -0.846498563701E+03 0.46889E+00 -0.14626E+01 3543 0.608E+00 0.146E+01 DAV: 8 -0.846142683251E+03 0.35588E+00 -0.96804E-01 3147 0.235E+00 0.596E+00 DAV: 9 -0.846070076784E+03 0.72606E-01 -0.42794E-01 3183 0.149E+00 0.867E-01 DAV: 10 -0.846065086527E+03 0.49903E-02 -0.69125E-02 3120 0.589E-01 0.576E-01 DAV: 11 -0.846058603877E+03 0.64826E-02 -0.67805E-03 3147 0.230E-01 0.315E-01 DAV: 12 -0.846052593035E+03 0.60108E-02 -0.74705E-03 3129 0.280E-01 0.125E-01 DAV: 13 -0.846052196378E+03 0.39666E-03 -0.53632E-03 3084 0.256E-01 0.148E-01 DAV: 14 -0.846055475758E+03 -0.32794E-02 -0.37346E-03 3057 0.175E-01 0.101E-01 DAV: 15 -0.846060585611E+03 -0.51099E-02 -0.17816E-03 3300 0.143E-01 0.526E-02 DAV: 16 -0.846062403670E+03 -0.18181E-02 -0.88362E-04 3147 0.866E-02 0.558E-02 DAV: 17 -0.846062491327E+03 -0.87657E-04 -0.24766E-04 3156 0.291E-02 0.562E-02 DAV: 18 -0.846062499263E+03 -0.79361E-05 -0.39993E-06 1986 0.401E-03 1 F= -.84606250E+03 E0= -.84606821E+03 d E =0.171461E-01