./iterations/neb0_image06_iter4_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 0.422873704144E+04 0.42287E+04 -0.23853E+05 2892 0.117E+03 DAV: 2 -0.423972280185E+03 -0.46527E+04 -0.45539E+04 3369 0.329E+02 DAV: 3 -0.938629730785E+03 -0.51466E+03 -0.51227E+03 3120 0.118E+02 DAV: 4 -0.950994760834E+03 -0.12365E+02 -0.12320E+02 3183 0.196E+01 DAV: 5 -0.951397039568E+03 -0.40228E+00 -0.40178E+00 3201 0.320E+00 0.814E+01 DAV: 6 -0.842763097281E+03 0.10863E+03 -0.47361E+02 3057 0.348E+01 0.378E+01 DAV: 7 -0.842214764508E+03 0.54833E+00 -0.14727E+01 3462 0.628E+00 0.147E+01 DAV: 8 -0.841858606813E+03 0.35616E+00 -0.10254E+00 3147 0.241E+00 0.610E+00 DAV: 9 -0.841813508558E+03 0.45098E-01 -0.44674E-01 3138 0.157E+00 0.107E+00 DAV: 10 -0.841804132572E+03 0.93760E-02 -0.79781E-02 3174 0.598E-01 0.677E-01 DAV: 11 -0.841801074886E+03 0.30577E-02 -0.14336E-02 3084 0.274E-01 0.320E-01 DAV: 12 -0.841798388414E+03 0.26865E-02 -0.53792E-03 3210 0.245E-01 0.142E-01 DAV: 13 -0.841798725567E+03 -0.33715E-03 -0.44039E-03 3021 0.218E-01 0.121E-01 DAV: 14 -0.841801179796E+03 -0.24542E-02 -0.21543E-03 3075 0.118E-01 0.995E-02 DAV: 15 -0.841804281807E+03 -0.31020E-02 -0.56583E-04 3057 0.583E-02 0.477E-02 DAV: 16 -0.841808810746E+03 -0.45289E-02 -0.11060E-03 3066 0.832E-02 0.400E-02 DAV: 17 -0.841810473248E+03 -0.16625E-02 -0.53505E-04 3102 0.509E-02 0.268E-02 DAV: 18 -0.841811194605E+03 -0.72136E-03 -0.43737E-05 2688 0.194E-02 0.207E-02 DAV: 19 -0.841811844845E+03 -0.65024E-03 -0.61922E-05 2751 0.243E-02 0.786E-03 DAV: 20 -0.841812035912E+03 -0.19107E-03 -0.23582E-05 2265 0.132E-02 0.574E-03 DAV: 21 -0.841812125341E+03 -0.89428E-04 -0.66508E-06 2022 0.611E-03 0.297E-03 DAV: 22 -0.841812171836E+03 -0.46496E-04 -0.34736E-06 2004 0.442E-03 0.181E-03 DAV: 23 -0.841812188128E+03 -0.16292E-04 -0.25096E-06 1995 0.467E-03 0.124E-03 DAV: 24 -0.841812191147E+03 -0.30190E-05 -0.12084E-06 1995 0.221E-03 1 F= -.84181219E+03 E0= -.84181606E+03 d E =0.115958E-01