iterations/neb0_image06_iter33_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 0.423917738248E+04 0.42392E+04 -0.23860E+05 2892 0.117E+03 DAV: 2 -0.426316282879E+03 -0.46655E+04 -0.45688E+04 3378 0.329E+02 DAV: 3 -0.942129421973E+03 -0.51581E+03 -0.51356E+03 3120 0.118E+02 DAV: 4 -0.954463376999E+03 -0.12334E+02 -0.12289E+02 3192 0.196E+01 DAV: 5 -0.954863305714E+03 -0.39993E+00 -0.39939E+00 3183 0.320E+00 0.811E+01 DAV: 6 -0.846764151498E+03 0.10810E+03 -0.47026E+02 3057 0.347E+01 0.375E+01 DAV: 7 -0.846309599381E+03 0.45455E+00 -0.14763E+01 3543 0.610E+00 0.146E+01 DAV: 8 -0.845950722111E+03 0.35888E+00 -0.98585E-01 3165 0.236E+00 0.598E+00 DAV: 9 -0.845876839132E+03 0.73883E-01 -0.43184E-01 3183 0.149E+00 0.869E-01 DAV: 10 -0.845871853133E+03 0.49860E-02 -0.71730E-02 3111 0.591E-01 0.579E-01 DAV: 11 -0.845865706741E+03 0.61464E-02 -0.67774E-03 3156 0.230E-01 0.326E-01 DAV: 12 -0.845859572410E+03 0.61343E-02 -0.82335E-03 3084 0.285E-01 0.129E-01 DAV: 13 -0.845859248513E+03 0.32390E-03 -0.52407E-03 3120 0.240E-01 0.150E-01 DAV: 14 -0.845862317467E+03 -0.30690E-02 -0.34825E-03 3075 0.159E-01 0.107E-01 DAV: 15 -0.845867731862E+03 -0.54144E-02 -0.14815E-03 3147 0.124E-01 0.409E-02 DAV: 16 -0.845870194996E+03 -0.24631E-02 -0.64712E-04 3111 0.593E-02 0.405E-02 DAV: 17 -0.845871172508E+03 -0.97751E-03 -0.14352E-04 3138 0.267E-02 0.240E-02 DAV: 18 -0.845872290148E+03 -0.11176E-02 -0.50138E-05 2796 0.169E-02 0.114E-02 DAV: 19 -0.845872953203E+03 -0.66305E-03 -0.31279E-05 2499 0.182E-02 0.976E-03 DAV: 20 -0.845873105399E+03 -0.15220E-03 -0.29405E-05 2571 0.138E-02 0.703E-03 DAV: 21 -0.845873168458E+03 -0.63058E-04 -0.50554E-06 1995 0.645E-03 0.397E-03 DAV: 22 -0.845873220371E+03 -0.51913E-04 -0.44258E-06 1959 0.595E-03 0.244E-03 DAV: 23 -0.845873232833E+03 -0.12462E-04 -0.26148E-06 1995 0.411E-03 0.295E-03 DAV: 24 -0.845873236435E+03 -0.36015E-05 -0.11781E-06 1986 0.307E-03 1 F= -.84587324E+03 E0= -.84587710E+03 d E =0.115982E-01