./iterations/neb0_image01_iter57_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 0.423203735720E+04 0.42320E+04 -0.23864E+05 2892 0.117E+03
DAV: 2 -0.430644096183E+03 -0.46627E+04 -0.45597E+04 3360 0.329E+02
DAV: 3 -0.943506943587E+03 -0.51286E+03 -0.51065E+03 3120 0.117E+02
DAV: 4 -0.955725084281E+03 -0.12218E+02 -0.12173E+02 3192 0.195E+01
DAV: 5 -0.956120195594E+03 -0.39511E+00 -0.39457E+00 3192 0.318E+00 0.813E+01
DAV: 6 -0.848048801187E+03 0.10807E+03 -0.47101E+02 3066 0.347E+01 0.376E+01
DAV: 7 -0.847580112384E+03 0.46869E+00 -0.14379E+01 3543 0.606E+00 0.146E+01
DAV: 8 -0.847242886311E+03 0.33723E+00 -0.95552E-01 3147 0.237E+00 0.593E+00
DAV: 9 -0.847196777046E+03 0.46109E-01 -0.41059E-01 3192 0.151E+00 0.857E-01
DAV: 10 -0.847203161393E+03 -0.63843E-02 -0.70479E-02 3129 0.595E-01 0.587E-01
DAV: 11 -0.847202951369E+03 0.21002E-03 -0.64933E-03 3120 0.208E-01 0.330E-01
DAV: 12 -0.847204392435E+03 -0.14411E-02 -0.70293E-03 3057 0.244E-01 0.117E-01
DAV: 13 -0.847207807370E+03 -0.34149E-02 -0.43570E-03 3210 0.209E-01 0.134E-01
DAV: 14 -0.847211817845E+03 -0.40105E-02 -0.28039E-03 3120 0.138E-01 0.936E-02
DAV: 15 -0.847216724290E+03 -0.49064E-02 -0.12255E-03 3048 0.875E-02 0.360E-02
DAV: 16 -0.847218934250E+03 -0.22100E-02 -0.40745E-04 3138 0.477E-02 0.366E-02
DAV: 17 -0.847219987803E+03 -0.10536E-02 -0.19108E-04 3084 0.334E-02 0.246E-02
DAV: 18 -0.847220717192E+03 -0.72939E-03 -0.27122E-05 2346 0.184E-02 0.134E-02
DAV: 19 -0.847221269648E+03 -0.55246E-03 -0.40452E-05 2688 0.210E-02 0.730E-03
DAV: 20 -0.847221364771E+03 -0.95123E-04 -0.32517E-05 2688 0.145E-02 0.682E-03
DAV: 21 -0.847221397810E+03 -0.33039E-04 -0.34283E-06 2004 0.433E-03 0.595E-03
DAV: 22 -0.847221417330E+03 -0.19520E-04 -0.20490E-06 1995 0.338E-03 0.281E-03
DAV: 23 -0.847221425614E+03 -0.82842E-05 -0.16459E-06 1986 0.308E-03
1 F= -.84722143E+03 E0= -.84722529E+03 d E =0.115958E-01