iterations/neb0_image01_iter1_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 0.423037303638E+04 0.42304E+04 -0.23864E+05 2892 0.117E+03 DAV: 2 -0.430419383370E+03 -0.46608E+04 -0.45577E+04 3366 0.329E+02 DAV: 3 -0.943145982442E+03 -0.51273E+03 -0.51051E+03 3120 0.117E+02 DAV: 4 -0.955353872456E+03 -0.12208E+02 -0.12163E+02 3192 0.195E+01 DAV: 5 -0.955749434334E+03 -0.39556E+00 -0.39504E+00 3201 0.318E+00 0.814E+01 DAV: 6 -0.847300574874E+03 0.10845E+03 -0.47233E+02 3057 0.347E+01 0.377E+01 DAV: 7 -0.846806737617E+03 0.49384E+00 -0.14421E+01 3543 0.606E+00 0.146E+01 DAV: 8 -0.846459362003E+03 0.34738E+00 -0.95351E-01 3165 0.238E+00 0.596E+00 DAV: 9 -0.846407702077E+03 0.51660E-01 -0.42583E-01 3192 0.155E+00 0.877E-01 DAV: 10 -0.846412284504E+03 -0.45824E-02 -0.71957E-02 3138 0.600E-01 0.591E-01 DAV: 11 -0.846410983971E+03 0.13005E-02 -0.70762E-03 3129 0.212E-01 0.329E-01 DAV: 12 -0.846411034996E+03 -0.51025E-04 -0.67177E-03 3120 0.247E-01 0.119E-01 DAV: 13 -0.846413796722E+03 -0.27617E-02 -0.48231E-03 3129 0.230E-01 0.134E-01 DAV: 14 -0.846417905812E+03 -0.41091E-02 -0.32633E-03 3075 0.148E-01 0.911E-02 DAV: 15 -0.846422406124E+03 -0.45003E-02 -0.13351E-03 3093 0.929E-02 0.435E-02 DAV: 16 -0.846424737799E+03 -0.23317E-02 -0.37488E-04 3102 0.526E-02 0.388E-02 DAV: 17 -0.846425822795E+03 -0.10850E-02 -0.33027E-04 3111 0.406E-02 0.286E-02 DAV: 18 -0.846426561949E+03 -0.73915E-03 -0.40463E-05 2661 0.230E-02 0.147E-02 DAV: 19 -0.846427142109E+03 -0.58016E-03 -0.46092E-05 2733 0.219E-02 0.735E-03 DAV: 20 -0.846427247484E+03 -0.10538E-03 -0.29047E-05 2652 0.136E-02 0.657E-03 DAV: 21 -0.846427286006E+03 -0.38521E-04 -0.30564E-06 1995 0.402E-03 0.563E-03 DAV: 22 -0.846427308229E+03 -0.22223E-04 -0.19846E-06 1977 0.299E-03 0.270E-03 DAV: 23 -0.846427321015E+03 -0.12786E-04 -0.16527E-06 1968 0.315E-03 0.105E-03 DAV: 24 -0.846427323730E+03 -0.27148E-05 -0.71517E-07 2004 0.175E-03 1 F= -.84642732E+03 E0= -.84643119E+03 d E =0.115958E-01