./iterations/neb0_image01_iter49_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 0.423124928854E+04 0.42312E+04 -0.23863E+05 2892 0.117E+03
DAV: 2 -0.430662115986E+03 -0.46619E+04 -0.45589E+04 3360 0.329E+02
DAV: 3 -0.943435539767E+03 -0.51277E+03 -0.51056E+03 3120 0.117E+02
DAV: 4 -0.955649978013E+03 -0.12214E+02 -0.12169E+02 3183 0.195E+01
DAV: 5 -0.956051323116E+03 -0.40135E+00 -0.40079E+00 3192 0.320E+00 0.812E+01
DAV: 6 -0.848031090644E+03 0.10802E+03 -0.47093E+02 3066 0.347E+01 0.376E+01
DAV: 7 -0.847570363279E+03 0.46073E+00 -0.14380E+01 3543 0.605E+00 0.146E+01
DAV: 8 -0.847233941718E+03 0.33642E+00 -0.95863E-01 3156 0.236E+00 0.593E+00
DAV: 9 -0.847188893773E+03 0.45048E-01 -0.41201E-01 3201 0.151E+00 0.857E-01
DAV: 10 -0.847195550410E+03 -0.66566E-02 -0.70215E-02 3120 0.594E-01 0.593E-01
DAV: 11 -0.847195455188E+03 0.95221E-04 -0.64415E-03 3120 0.206E-01 0.333E-01
DAV: 12 -0.847196973389E+03 -0.15182E-02 -0.70303E-03 3057 0.245E-01 0.117E-01
DAV: 13 -0.847200399905E+03 -0.34265E-02 -0.43984E-03 3201 0.211E-01 0.134E-01
DAV: 14 -0.847204329977E+03 -0.39301E-02 -0.27589E-03 3138 0.136E-01 0.940E-02
DAV: 15 -0.847209272483E+03 -0.49425E-02 -0.12717E-03 3048 0.875E-02 0.376E-02
DAV: 16 -0.847211408736E+03 -0.21363E-02 -0.39229E-04 3147 0.480E-02 0.373E-02
DAV: 17 -0.847212433349E+03 -0.10246E-02 -0.21251E-04 3102 0.345E-02 0.260E-02
DAV: 18 -0.847213140058E+03 -0.70671E-03 -0.28043E-05 2409 0.188E-02 0.137E-02
DAV: 19 -0.847213714433E+03 -0.57438E-03 -0.42676E-05 2733 0.218E-02 0.738E-03
DAV: 20 -0.847213802190E+03 -0.87757E-04 -0.31545E-05 2670 0.140E-02 0.674E-03
DAV: 21 -0.847213837343E+03 -0.35153E-04 -0.31567E-06 1995 0.412E-03 0.576E-03
DAV: 22 -0.847213859155E+03 -0.21811E-04 -0.21571E-06 1995 0.343E-03 0.258E-03
DAV: 23 -0.847213868449E+03 -0.92944E-05 -0.16036E-06 1977 0.318E-03
1 F= -.84721387E+03 E0= -.84721773E+03 d E =0.115958E-01