iterations/neb0_image08_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 0.423673869130E+04 0.42367E+04 -0.23863E+05 2892 0.117E+03 DAV: 2 -0.430062116341E+03 -0.46668E+04 -0.45682E+04 3378 0.329E+02 DAV: 3 -0.943015628124E+03 -0.51295E+03 -0.51080E+03 3120 0.117E+02 DAV: 4 -0.955185674125E+03 -0.12170E+02 -0.12125E+02 3183 0.195E+01 DAV: 5 -0.955584548926E+03 -0.39887E+00 -0.39834E+00 3201 0.319E+00 0.812E+01 DAV: 6 -0.847594766679E+03 0.10799E+03 -0.47155E+02 3093 0.348E+01 0.376E+01 DAV: 7 -0.847000675758E+03 0.59409E+00 -0.14877E+01 3516 0.640E+00 0.148E+01 DAV: 8 -0.846673737812E+03 0.32694E+00 -0.16905E+00 3183 0.339E+00 0.602E+00 DAV: 9 -0.846593242535E+03 0.80495E-01 -0.75462E-01 3372 0.216E+00 0.159E+00 DAV: 10 -0.846545099404E+03 0.48143E-01 -0.18078E-01 3624 0.136E+00 0.151E+00 DAV: 11 -0.846528020660E+03 0.17079E-01 -0.11194E-01 3588 0.855E-01 0.100E+00 DAV: 12 -0.846526579926E+03 0.14407E-02 -0.14385E-01 3507 0.626E-01 0.833E-01 DAV: 13 -0.846517129546E+03 0.94504E-02 -0.10497E-01 3444 0.708E-01 0.714E-01 DAV: 14 -0.846511652002E+03 0.54775E-02 -0.39939E-02 3651 0.411E-01 0.405E-01 DAV: 15 -0.846507997364E+03 0.36546E-02 -0.15851E-02 3183 0.315E-01 0.241E-01 DAV: 16 -0.846507834411E+03 0.16295E-03 -0.61604E-03 3057 0.194E-01 0.175E-01 DAV: 17 -0.846509085523E+03 -0.12511E-02 -0.42154E-03 3390 0.136E-01 0.177E-01 DAV: 18 -0.846510946509E+03 -0.18610E-02 -0.41777E-03 3498 0.115E-01 0.125E-01 DAV: 19 -0.846513473691E+03 -0.25272E-02 -0.14188E-03 3111 0.788E-02 0.678E-02 DAV: 20 -0.846516937609E+03 -0.34639E-02 -0.92774E-04 3120 0.777E-02 0.615E-02 DAV: 21 -0.846518708905E+03 -0.17713E-02 -0.44508E-04 3111 0.485E-02 0.478E-02 DAV: 22 -0.846519973850E+03 -0.12649E-02 -0.16373E-04 3111 0.354E-02 0.243E-02 DAV: 23 -0.846520577585E+03 -0.60373E-03 -0.61346E-05 2931 0.234E-02 0.170E-02 DAV: 24 -0.846521096967E+03 -0.51938E-03 -0.56944E-05 2625 0.208E-02 0.164E-02 DAV: 25 -0.846521365441E+03 -0.26847E-03 -0.24001E-05 1986 0.137E-02 0.814E-03 DAV: 26 -0.846521475013E+03 -0.10957E-03 -0.12233E-05 1977 0.769E-03 0.499E-03 DAV: 27 -0.846521536211E+03 -0.61197E-04 -0.35981E-06 1968 0.570E-03 0.271E-03 DAV: 28 -0.846521570038E+03 -0.33827E-04 -0.29122E-06 1968 0.427E-03 0.143E-03 DAV: 29 -0.846521577811E+03 -0.77729E-05 -0.13168E-06 1986 0.256E-03 1 F= -.84652158E+03 E0= -.84657156E+03 d E =0.149938E+00