iterations/neb0_image04_iter20_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 0.423059842746E+04 0.42306E+04 -0.23859E+05 2892 0.117E+03 DAV: 2 -0.428640613676E+03 -0.46592E+04 -0.45650E+04 3360 0.329E+02 DAV: 3 -0.941949907184E+03 -0.51331E+03 -0.51106E+03 3120 0.117E+02 DAV: 4 -0.954251786204E+03 -0.12302E+02 -0.12255E+02 3192 0.196E+01 DAV: 5 -0.954655992882E+03 -0.40421E+00 -0.40362E+00 3183 0.321E+00 0.810E+01 DAV: 6 -0.846415038958E+03 0.10824E+03 -0.47130E+02 3057 0.347E+01 0.375E+01 DAV: 7 -0.845962593643E+03 0.45245E+00 -0.14473E+01 3534 0.614E+00 0.146E+01 DAV: 8 -0.845639528431E+03 0.32307E+00 -0.96629E-01 3165 0.237E+00 0.598E+00 DAV: 9 -0.845598020986E+03 0.41507E-01 -0.41792E-01 3192 0.151E+00 0.858E-01 DAV: 10 -0.845602545016E+03 -0.45240E-02 -0.69759E-02 3111 0.592E-01 0.597E-01 DAV: 11 -0.845601159655E+03 0.13854E-02 -0.65578E-03 3129 0.214E-01 0.337E-01 DAV: 12 -0.845600452897E+03 0.70676E-03 -0.66944E-03 3102 0.245E-01 0.116E-01 DAV: 13 -0.845602198469E+03 -0.17456E-02 -0.41145E-03 3183 0.211E-01 0.133E-01 DAV: 14 -0.845605476201E+03 -0.32777E-02 -0.28399E-03 3057 0.143E-01 0.933E-02 DAV: 15 -0.845609989337E+03 -0.45131E-02 -0.11827E-03 3048 0.966E-02 0.373E-02 DAV: 16 -0.845612195327E+03 -0.22060E-02 -0.45385E-04 3093 0.523E-02 0.358E-02 DAV: 17 -0.845613263248E+03 -0.10679E-02 -0.18494E-04 3129 0.331E-02 0.236E-02 DAV: 18 -0.845614031894E+03 -0.76865E-03 -0.28447E-05 2499 0.176E-02 0.121E-02 DAV: 19 -0.845614560252E+03 -0.52836E-03 -0.32048E-05 2544 0.190E-02 0.709E-03 DAV: 20 -0.845614681913E+03 -0.12166E-03 -0.31675E-05 2661 0.151E-02 0.635E-03 DAV: 21 -0.845614716164E+03 -0.34251E-04 -0.41801E-06 2013 0.468E-03 0.599E-03 DAV: 22 -0.845614734374E+03 -0.18209E-04 -0.17325E-06 1977 0.292E-03 0.323E-03 DAV: 23 -0.845614746209E+03 -0.11835E-04 -0.15658E-06 1959 0.296E-03 0.120E-03 DAV: 24 -0.845614748228E+03 -0.20195E-05 -0.65978E-07 2022 0.172E-03 1 F= -.84561475E+03 E0= -.84561861E+03 d E =0.115983E-01