./iterations/neb0_image09_iter39_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 0.423657125480E+04 0.42366E+04 -0.23863E+05 2892 0.117E+03
DAV: 2 -0.426509702979E+03 -0.46631E+04 -0.45627E+04 3357 0.329E+02
DAV: 3 -0.942841802345E+03 -0.51633E+03 -0.51414E+03 3120 0.118E+02
DAV: 4 -0.955221031911E+03 -0.12379E+02 -0.12334E+02 3183 0.197E+01
DAV: 5 -0.955628743741E+03 -0.40771E+00 -0.40718E+00 3192 0.323E+00 0.812E+01
DAV: 6 -0.847633502481E+03 0.10800E+03 -0.47142E+02 3066 0.348E+01 0.376E+01
DAV: 7 -0.847065783686E+03 0.56772E+00 -0.14683E+01 3516 0.627E+00 0.148E+01
DAV: 8 -0.846727062462E+03 0.33872E+00 -0.18427E+00 3237 0.361E+00 0.607E+00
DAV: 9 -0.846647427671E+03 0.79635E-01 -0.70744E-01 3219 0.208E+00 0.158E+00
DAV: 10 -0.846628842199E+03 0.18585E-01 -0.15973E-01 3597 0.124E+00 0.119E+00
DAV: 11 -0.846598005221E+03 0.30837E-01 -0.56512E-02 3480 0.753E-01 0.804E-01
DAV: 12 -0.846590247487E+03 0.77577E-02 -0.15960E-01 4074 0.948E-01 0.119E+00
DAV: 13 -0.846575826436E+03 0.14421E-01 -0.58049E-02 3534 0.523E-01 0.441E-01
DAV: 14 -0.846572265556E+03 0.35609E-02 -0.15945E-02 3084 0.299E-01 0.287E-01
DAV: 15 -0.846570293648E+03 0.19719E-02 -0.12765E-02 3336 0.395E-01 0.310E-01
DAV: 16 -0.846569896112E+03 0.39754E-03 -0.88885E-03 3066 0.215E-01 0.293E-01
DAV: 17 -0.846570526822E+03 -0.63071E-03 -0.34075E-03 3237 0.126E-01 0.278E-01
DAV: 18 -0.846571541352E+03 -0.10145E-02 -0.44639E-03 3183 0.154E-01 0.107E-01
DAV: 19 -0.846574693465E+03 -0.31521E-02 -0.24114E-03 3048 0.138E-01 0.752E-02
DAV: 20 -0.846577207141E+03 -0.25137E-02 -0.11640E-03 3120 0.791E-02 0.636E-02
DAV: 21 -0.846579416591E+03 -0.22095E-02 -0.48596E-04 3138 0.547E-02 0.451E-02
DAV: 22 -0.846580713573E+03 -0.12970E-02 -0.27219E-04 3093 0.349E-02 0.302E-02
DAV: 23 -0.846581646066E+03 -0.93249E-03 -0.90491E-05 2931 0.271E-02 0.204E-02
DAV: 24 -0.846582117672E+03 -0.47161E-03 -0.76176E-05 2697 0.184E-02 0.176E-02
DAV: 25 -0.846582416941E+03 -0.29927E-03 -0.37403E-05 1986 0.171E-02 0.100E-02
DAV: 26 -0.846582576122E+03 -0.15918E-03 -0.14742E-05 2022 0.901E-03 0.415E-03
DAV: 27 -0.846582629330E+03 -0.53208E-04 -0.45995E-06 1986 0.578E-03 0.289E-03
DAV: 28 -0.846582657194E+03 -0.27864E-04 -0.25761E-06 1968 0.428E-03 0.260E-03
DAV: 29 -0.846582668725E+03 -0.11531E-04 -0.15707E-06 1986 0.278E-03 0.169E-03
DAV: 30 -0.846582672477E+03 -0.37524E-05 -0.66398E-07 1995 0.203E-03
1 F= -.84658267E+03 E0= -.84663211E+03 d E =0.148309E+00