./iterations/neb0_image01_iter19_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 0.422957890404E+04 0.42296E+04 -0.23862E+05 2892 0.117E+03
DAV: 2 -0.430909928786E+03 -0.46605E+04 -0.45572E+04 3360 0.329E+02
DAV: 3 -0.943391907298E+03 -0.51248E+03 -0.51028E+03 3120 0.117E+02
DAV: 4 -0.955601750035E+03 -0.12210E+02 -0.12164E+02 3183 0.195E+01
DAV: 5 -0.956003629455E+03 -0.40188E+00 -0.40134E+00 3201 0.320E+00 0.812E+01
DAV: 6 -0.847976960661E+03 0.10803E+03 -0.47121E+02 3066 0.347E+01 0.376E+01
DAV: 7 -0.847518250905E+03 0.45871E+00 -0.14352E+01 3561 0.606E+00 0.146E+01
DAV: 8 -0.847184089158E+03 0.33416E+00 -0.96172E-01 3165 0.238E+00 0.593E+00
DAV: 9 -0.847140852338E+03 0.43237E-01 -0.41235E-01 3192 0.151E+00 0.858E-01
DAV: 10 -0.847147730857E+03 -0.68785E-02 -0.70206E-02 3138 0.595E-01 0.590E-01
DAV: 11 -0.847147735536E+03 -0.46792E-05 -0.64485E-03 3120 0.209E-01 0.331E-01
DAV: 12 -0.847149256588E+03 -0.15211E-02 -0.68680E-03 3066 0.244E-01 0.116E-01
DAV: 13 -0.847152559442E+03 -0.33029E-02 -0.42616E-03 3228 0.209E-01 0.133E-01
DAV: 14 -0.847156387806E+03 -0.38284E-02 -0.27320E-03 3111 0.136E-01 0.926E-02
DAV: 15 -0.847161230876E+03 -0.48431E-02 -0.12414E-03 3084 0.889E-02 0.371E-02
DAV: 16 -0.847163346923E+03 -0.21160E-02 -0.39844E-04 3111 0.478E-02 0.366E-02
DAV: 17 -0.847164358589E+03 -0.10117E-02 -0.19566E-04 3084 0.332E-02 0.252E-02
DAV: 18 -0.847165069679E+03 -0.71109E-03 -0.26187E-05 2319 0.182E-02 0.136E-02
DAV: 19 -0.847165622099E+03 -0.55242E-03 -0.41623E-05 2697 0.214E-02 0.723E-03
DAV: 20 -0.847165714531E+03 -0.92432E-04 -0.32835E-05 2706 0.145E-02 0.699E-03
DAV: 21 -0.847165746928E+03 -0.32397E-04 -0.33585E-06 2004 0.427E-03 0.605E-03
DAV: 22 -0.847165766522E+03 -0.19594E-04 -0.20143E-06 1995 0.335E-03 0.290E-03
DAV: 23 -0.847165775605E+03 -0.90833E-05 -0.16746E-06 1977 0.315E-03
1 F= -.84716578E+03 E0= -.84716964E+03 d E =0.115958E-01