./iterations/neb0_image06_iter21_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 0.423044180543E+04 0.42304E+04 -0.23853E+05 2892 0.117E+03
DAV: 2 -0.424893278798E+03 -0.46553E+04 -0.45576E+04 3357 0.329E+02
DAV: 3 -0.941303206038E+03 -0.51641E+03 -0.51409E+03 3120 0.118E+02
DAV: 4 -0.953720778454E+03 -0.12418E+02 -0.12371E+02 3192 0.196E+01
DAV: 5 -0.954130745860E+03 -0.40997E+00 -0.40941E+00 3192 0.323E+00 0.808E+01
DAV: 6 -0.846299474347E+03 0.10783E+03 -0.47019E+02 3057 0.347E+01 0.374E+01
DAV: 7 -0.845860850989E+03 0.43862E+00 -0.14539E+01 3543 0.611E+00 0.145E+01
DAV: 8 -0.845506170970E+03 0.35468E+00 -0.95577E-01 3156 0.235E+00 0.602E+00
DAV: 9 -0.845433461988E+03 0.72709E-01 -0.43000E-01 3183 0.151E+00 0.868E-01
DAV: 10 -0.845427455456E+03 0.60065E-02 -0.72234E-02 3102 0.620E-01 0.578E-01
DAV: 11 -0.845420414051E+03 0.70414E-02 -0.79641E-03 3138 0.246E-01 0.317E-01
DAV: 12 -0.845413859289E+03 0.65548E-02 -0.70815E-03 3192 0.276E-01 0.130E-01
DAV: 13 -0.845412159367E+03 0.16999E-02 -0.58244E-03 3048 0.300E-01 0.166E-01
DAV: 14 -0.845412565868E+03 -0.40650E-03 -0.49630E-03 3111 0.204E-01 0.207E-01
DAV: 15 -0.845414068342E+03 -0.15025E-02 -0.20683E-03 3390 0.127E-01 0.192E-01
DAV: 16 -0.845414858653E+03 -0.79031E-03 -0.12472E-03 3111 0.847E-02 0.166E-01
DAV: 17 -0.845417858137E+03 -0.29995E-02 -0.16293E-03 3939 0.140E-01 0.102E-01
DAV: 18 -0.845423688952E+03 -0.58308E-02 -0.42168E-03 4254 0.257E-01 0.159E-01
DAV: 19 -0.845425615605E+03 -0.19267E-02 -0.32591E-03 3156 0.151E-01 0.236E-01
DAV: 20 -0.845425462948E+03 0.15266E-03 -0.54165E-04 3066 0.437E-02 0.245E-01
DAV: 21 -0.845425109165E+03 0.35378E-03 -0.95971E-05 3156 0.453E-02 0.229E-01
DAV: 22 -0.845422150261E+03 0.29589E-02 -0.75689E-03 4947 0.469E-01 0.232E-01
DAV: 23 -0.845421628524E+03 0.52174E-03 -0.56987E-03 3138 0.130E-01 0.233E-01
DAV: 24 -0.845420944420E+03 0.68410E-03 -0.27363E-04 3354 0.515E-02 0.266E-01
DAV: 25 -0.845420966536E+03 -0.22117E-04 -0.84989E-05 3084 0.182E-02 0.251E-01
DAV: 26 -0.845421310650E+03 -0.34411E-03 -0.73441E-06 2085 0.198E-02 0.233E-01
DAV: 27 -0.845425365494E+03 -0.40548E-02 -0.41958E-03 4857 0.404E-01 0.123E-01
DAV: 28 -0.845428672602E+03 -0.33071E-02 -0.58536E-03 3858 0.279E-01 0.194E-01
DAV: 29 -0.845431127198E+03 -0.24546E-02 -0.29734E-03 3570 0.188E-01 0.263E-01
DAV: 30 -0.845431366412E+03 -0.23921E-03 -0.10901E-03 3084 0.574E-02 0.295E-01
DAV: 31 -0.845431351421E+03 0.14992E-04 -0.10676E-05 2274 0.602E-03 0.295E-01
DAV: 32 -0.845431348380E+03 0.30411E-05 -0.19725E-06 1986 0.280E-03
1 F= -.84543135E+03 E0= -.84543522E+03 d E =0.116274E-01