./iterations/neb0_image07_iter66_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 0.423802091724E+04 0.42380E+04 -0.23863E+05 2892 0.117E+03
DAV: 2 -0.428887267744E+03 -0.46669E+04 -0.45689E+04 3369 0.329E+02
DAV: 3 -0.942806394469E+03 -0.51392E+03 -0.51170E+03 3120 0.117E+02
DAV: 4 -0.955048190490E+03 -0.12242E+02 -0.12196E+02 3183 0.195E+01
DAV: 5 -0.955449022608E+03 -0.40083E+00 -0.40029E+00 3192 0.320E+00 0.812E+01
DAV: 6 -0.847347621209E+03 0.10810E+03 -0.47058E+02 3066 0.347E+01 0.376E+01
DAV: 7 -0.846872013514E+03 0.47561E+00 -0.14888E+01 3507 0.622E+00 0.147E+01
DAV: 8 -0.846519528227E+03 0.35249E+00 -0.10498E+00 3165 0.243E+00 0.592E+00
DAV: 9 -0.846448173802E+03 0.71354E-01 -0.47001E-01 3165 0.158E+00 0.918E-01
DAV: 10 -0.846442856099E+03 0.53177E-02 -0.54146E-02 3219 0.545E-01 0.632E-01
DAV: 11 -0.846435639614E+03 0.72165E-02 -0.12932E-02 3138 0.290E-01 0.322E-01
DAV: 12 -0.846430264697E+03 0.53749E-02 -0.40810E-03 3147 0.225E-01 0.130E-01
DAV: 13 -0.846428923403E+03 0.13413E-02 -0.52051E-03 3075 0.260E-01 0.137E-01
DAV: 14 -0.846430495009E+03 -0.15716E-02 -0.47245E-03 3183 0.227E-01 0.226E-01
DAV: 15 -0.846431977205E+03 -0.14822E-02 -0.18682E-03 3255 0.112E-01 0.145E-01
DAV: 16 -0.846433115328E+03 -0.11381E-02 -0.64004E-04 3048 0.459E-02 0.124E-01
DAV: 17 -0.846437608554E+03 -0.44932E-02 -0.17437E-03 3201 0.109E-01 0.873E-02
DAV: 18 -0.846440267713E+03 -0.26592E-02 -0.11400E-03 3723 0.962E-02 0.104E-01
DAV: 19 -0.846441347561E+03 -0.10798E-02 -0.29783E-04 3219 0.662E-02 0.100E-01
DAV: 20 -0.846442866679E+03 -0.15191E-02 -0.58751E-04 4488 0.122E-01 0.123E-01
DAV: 21 -0.846443202042E+03 -0.33536E-03 -0.55957E-04 3156 0.489E-02 0.147E-01
DAV: 22 -0.846443080918E+03 0.12112E-03 -0.50688E-05 2949 0.191E-02 0.149E-01
DAV: 23 -0.846443138295E+03 -0.57377E-04 -0.34853E-06 2004 0.557E-03 0.149E-01
DAV: 24 -0.846443192323E+03 -0.54028E-04 -0.11430E-06 1995 0.617E-03 0.151E-01
DAV: 25 -0.846442391172E+03 0.80115E-03 -0.37155E-03 4632 0.264E-01 0.121E-01
DAV: 26 -0.846441831714E+03 0.55946E-03 -0.22822E-03 3138 0.123E-01 0.166E-01
DAV: 27 -0.846441769983E+03 0.61731E-04 -0.45219E-04 3138 0.361E-02 0.166E-01
DAV: 28 -0.846441815390E+03 -0.45407E-04 -0.85881E-06 2049 0.679E-03 0.163E-01
DAV: 29 -0.846441838715E+03 -0.23325E-04 -0.22241E-06 1968 0.327E-03 0.162E-01
DAV: 30 -0.846441797746E+03 0.40969E-04 -0.22123E-05 2436 0.126E-02 0.172E-01
DAV: 31 -0.846442040149E+03 -0.24240E-03 -0.24706E-04 3336 0.436E-02 0.138E-01
DAV: 32 -0.846443056344E+03 -0.10162E-02 -0.15936E-03 3660 0.126E-01 0.123E-01
DAV: 33 -0.846443623596E+03 -0.56725E-03 -0.60105E-04 3471 0.875E-02 0.129E-01
DAV: 34 -0.846443807705E+03 -0.18411E-03 -0.31685E-04 3147 0.388E-02 0.149E-01
DAV: 35 -0.846443843713E+03 -0.36008E-04 -0.18242E-05 2283 0.140E-02 0.138E-01
DAV: 36 -0.846443915634E+03 -0.71922E-04 -0.86294E-05 2967 0.298E-02 0.114E-01
DAV: 37 -0.846444007524E+03 -0.91889E-04 -0.41632E-05 2904 0.234E-02 0.109E-01
DAV: 38 -0.846444052024E+03 -0.44500E-04 -0.21202E-05 2634 0.120E-02 0.109E-01
DAV: 39 -0.846444060314E+03 -0.82904E-05 -0.41901E-06 1950 0.408E-03
1 F= -.84644406E+03 E0= -.84644829E+03 d E =0.126964E-01