./iterations/neb0_image07_iter59_OSZICAR.out output for 745: 733-->741: H2O near HO-Si on SiO2 surface --> H-OSi + OH-Si on SiO2 surface (TSS)
Status:
running
N E dE d eps ncg rms rms(c)
DAV: 1 0.423793659404E+04 0.42379E+04 -0.23863E+05 2892 0.117E+03
DAV: 2 -0.428866605592E+03 -0.46668E+04 -0.45690E+04 3369 0.329E+02
DAV: 3 -0.942787439855E+03 -0.51392E+03 -0.51170E+03 3120 0.117E+02
DAV: 4 -0.955032232051E+03 -0.12245E+02 -0.12199E+02 3183 0.195E+01
DAV: 5 -0.955433529034E+03 -0.40130E+00 -0.40077E+00 3201 0.320E+00 0.812E+01
DAV: 6 -0.847341064767E+03 0.10809E+03 -0.47058E+02 3057 0.347E+01 0.376E+01
DAV: 7 -0.846844940570E+03 0.49612E+00 -0.14981E+01 3516 0.631E+00 0.147E+01
DAV: 8 -0.846492940954E+03 0.35200E+00 -0.11005E+00 3165 0.248E+00 0.589E+00
DAV: 9 -0.846419742840E+03 0.73198E-01 -0.50156E-01 3165 0.164E+00 0.948E-01
DAV: 10 -0.846412669747E+03 0.70731E-02 -0.58741E-02 3138 0.585E-01 0.666E-01
DAV: 11 -0.846399465588E+03 0.13204E-01 -0.13458E-02 3282 0.397E-01 0.464E-01
DAV: 12 -0.846400033838E+03 -0.56825E-03 -0.14353E-02 4074 0.446E-01 0.107E+00
DAV: 13 -0.846385330451E+03 0.14703E-01 -0.79952E-03 3408 0.267E-01 0.660E-01
DAV: 14 -0.846389726867E+03 -0.43964E-02 -0.10284E-03 3129 0.141E-01 0.715E-01
DAV: 15 -0.846389512641E+03 0.21423E-03 -0.24469E-03 3840 0.320E-01 0.529E-01
DAV: 16 -0.846389874213E+03 -0.36157E-03 -0.80055E-03 3579 0.339E-01 0.248E-01
DAV: 17 -0.846394276074E+03 -0.44019E-02 -0.22876E-03 3237 0.322E-01 0.292E-01
DAV: 18 -0.846398886135E+03 -0.46101E-02 -0.23410E-03 3444 0.354E-01 0.222E-01
DAV: 19 -0.846408003463E+03 -0.91173E-02 -0.44001E-03 4290 0.565E-01 0.262E-01
DAV: 20 -0.846410458821E+03 -0.24554E-02 -0.80937E-03 3138 0.198E-01 0.339E-01
DAV: 21 -0.846410555448E+03 -0.96627E-04 -0.70287E-04 3111 0.474E-02 0.361E-01
DAV: 22 -0.846410413273E+03 0.14218E-03 -0.12006E-05 2085 0.195E-02 0.360E-01
DAV: 23 -0.846406017460E+03 0.43958E-02 -0.11325E-03 4569 0.377E-01 0.313E-01
DAV: 24 -0.846404331967E+03 0.16855E-02 -0.18442E-03 3813 0.215E-01 0.287E-01
DAV: 25 -0.846404218015E+03 0.11395E-03 -0.10936E-03 3120 0.689E-02 0.259E-01
DAV: 26 -0.846402983336E+03 0.12347E-02 -0.28433E-04 4164 0.201E-01 0.237E-01
DAV: 27 -0.846399211842E+03 0.37715E-02 -0.27518E-03 4695 0.760E-01 0.307E-01
DAV: 28 -0.846399590166E+03 -0.37832E-03 -0.67113E-03 3129 0.116E-01 0.258E-01
DAV: 29 -0.846399589707E+03 0.45847E-06 -0.17089E-04 3147 0.253E-02 0.246E-01
DAV: 30 -0.846399494460E+03 0.95248E-04 -0.59319E-05 3048 0.296E-02 0.269E-01
DAV: 31 -0.846399207223E+03 0.28724E-03 -0.26803E-04 3111 0.813E-02 0.351E-01
DAV: 32 -0.846399118635E+03 0.88588E-04 -0.12767E-04 3111 0.204E-02 0.349E-01
DAV: 33 -0.846398815991E+03 0.30264E-03 -0.67887E-06 2220 0.324E-02 0.380E-01
DAV: 34 -0.846400424303E+03 -0.16083E-02 0.29791E-04 3444 0.144E-01 0.276E-01
DAV: 35 -0.846402277772E+03 -0.18535E-02 0.78329E-05 4191 0.216E-01 0.175E-01
DAV: 36 -0.846402922882E+03 -0.64511E-03 -0.63370E-04 3120 0.829E-02 0.156E-01
DAV: 37 -0.846403044341E+03 -0.12146E-03 -0.23412E-04 3156 0.311E-02 0.173E-01
DAV: 38 -0.846403044054E+03 0.28648E-06 -0.56036E-06 1995 0.467E-03
1 F= -.84640304E+03 E0= -.84641562E+03 d E =0.377421E-01