iterations/neb0_image09_iter82_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 0.422389828125E+04 0.42239E+04 -0.23877E+05 2901 0.117E+03 DAV: 2 -0.430368617836E+03 -0.46543E+04 -0.45558E+04 3366 0.329E+02 DAV: 3 -0.943027708051E+03 -0.51266E+03 -0.51050E+03 3120 0.117E+02 DAV: 4 -0.955252577283E+03 -0.12225E+02 -0.12180E+02 3183 0.195E+01 DAV: 5 -0.955655074422E+03 -0.40250E+00 -0.40196E+00 3174 0.321E+00 0.813E+01 DAV: 6 -0.847643503058E+03 0.10801E+03 -0.47163E+02 3048 0.348E+01 0.376E+01 DAV: 7 -0.847089477560E+03 0.55403E+00 -0.14660E+01 3516 0.623E+00 0.147E+01 DAV: 8 -0.846743311202E+03 0.34617E+00 -0.16408E+00 3246 0.352E+00 0.607E+00 DAV: 9 -0.846643914301E+03 0.99397E-01 -0.66949E-01 3219 0.196E+00 0.128E+00 DAV: 10 -0.846612623809E+03 0.31290E-01 -0.12566E-01 3264 0.116E+00 0.960E-01 DAV: 11 -0.846615141653E+03 -0.25178E-02 -0.15862E-01 3750 0.103E+00 0.129E+00 DAV: 12 -0.846606157561E+03 0.89841E-02 -0.20964E-01 3651 0.903E-01 0.738E-01 DAV: 13 -0.846589610010E+03 0.16548E-01 -0.61232E-02 3147 0.652E-01 0.382E-01 DAV: 14 -0.846587613624E+03 0.19964E-02 -0.20554E-02 3147 0.318E-01 0.313E-01 DAV: 15 -0.846587383878E+03 0.22975E-03 -0.65525E-03 3237 0.254E-01 0.425E-01 DAV: 16 -0.846585612997E+03 0.17709E-02 -0.15388E-02 3327 0.240E-01 0.181E-01 DAV: 17 -0.846587144839E+03 -0.15318E-02 -0.37899E-03 3057 0.135E-01 0.133E-01 DAV: 18 -0.846588963491E+03 -0.18187E-02 -0.15525E-03 3057 0.114E-01 0.870E-02 DAV: 19 -0.846592261286E+03 -0.32978E-02 -0.17543E-03 3237 0.129E-01 0.131E-01 DAV: 20 -0.846594481803E+03 -0.22205E-02 -0.16652E-03 3111 0.923E-02 0.529E-02 DAV: 21 -0.846596551423E+03 -0.20696E-02 -0.38358E-04 3084 0.416E-02 0.364E-02 DAV: 22 -0.846597897901E+03 -0.13465E-02 -0.18704E-04 3093 0.327E-02 0.291E-02 DAV: 23 -0.846598396913E+03 -0.49901E-03 -0.89528E-05 2823 0.214E-02 0.194E-02 DAV: 24 -0.846598812343E+03 -0.41543E-03 -0.33390E-05 2121 0.159E-02 0.109E-02 DAV: 25 -0.846599029633E+03 -0.21729E-03 -0.23497E-05 2049 0.134E-02 0.755E-03 DAV: 26 -0.846599135143E+03 -0.10551E-03 -0.10118E-05 1977 0.768E-03 0.452E-03 DAV: 27 -0.846599205768E+03 -0.70625E-04 -0.42530E-06 1959 0.579E-03 0.384E-03 DAV: 28 -0.846599235964E+03 -0.30197E-04 -0.37473E-06 1977 0.486E-03 0.276E-03 DAV: 29 -0.846599245583E+03 -0.96190E-05 -0.17316E-06 1995 0.326E-03 1 F= -.84659925E+03 E0= -.84664963E+03 d E =0.151160E+00