./iterations/neb0_image01_iter21_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 0.422996415011E+04 0.42300E+04 -0.23862E+05 2892 0.117E+03
DAV: 2 -0.430854402447E+03 -0.46608E+04 -0.45576E+04 3360 0.329E+02
DAV: 3 -0.943382958533E+03 -0.51253E+03 -0.51033E+03 3120 0.117E+02
DAV: 4 -0.955600116402E+03 -0.12217E+02 -0.12172E+02 3192 0.195E+01
DAV: 5 -0.955995984695E+03 -0.39587E+00 -0.39534E+00 3201 0.318E+00 0.812E+01
DAV: 6 -0.847960514067E+03 0.10804E+03 -0.47118E+02 3066 0.347E+01 0.376E+01
DAV: 7 -0.847500952350E+03 0.45956E+00 -0.14358E+01 3543 0.606E+00 0.146E+01
DAV: 8 -0.847166325822E+03 0.33463E+00 -0.95986E-01 3165 0.238E+00 0.593E+00
DAV: 9 -0.847122166785E+03 0.44159E-01 -0.41135E-01 3192 0.151E+00 0.856E-01
DAV: 10 -0.847128914366E+03 -0.67476E-02 -0.70766E-02 3120 0.598E-01 0.592E-01
DAV: 11 -0.847128869479E+03 0.44887E-04 -0.64622E-03 3120 0.208E-01 0.334E-01
DAV: 12 -0.847130328594E+03 -0.14591E-02 -0.68930E-03 3075 0.246E-01 0.116E-01
DAV: 13 -0.847133636853E+03 -0.33083E-02 -0.43415E-03 3210 0.212E-01 0.133E-01
DAV: 14 -0.847137537569E+03 -0.39007E-02 -0.28195E-03 3111 0.138E-01 0.929E-02
DAV: 15 -0.847142386289E+03 -0.48487E-02 -0.12730E-03 3066 0.893E-02 0.382E-02
DAV: 16 -0.847144500562E+03 -0.21143E-02 -0.38490E-04 3111 0.482E-02 0.370E-02
DAV: 17 -0.847145525470E+03 -0.10249E-02 -0.21940E-04 3111 0.348E-02 0.261E-02
DAV: 18 -0.847146228434E+03 -0.70296E-03 -0.27660E-05 2382 0.190E-02 0.139E-02
DAV: 19 -0.847146794780E+03 -0.56635E-03 -0.43127E-05 2724 0.219E-02 0.732E-03
DAV: 20 -0.847146883751E+03 -0.88972E-04 -0.32598E-05 2670 0.142E-02 0.700E-03
DAV: 21 -0.847146918345E+03 -0.34593E-04 -0.32863E-06 2004 0.417E-03 0.602E-03
DAV: 22 -0.847146940140E+03 -0.21795E-04 -0.21690E-06 1995 0.345E-03 0.281E-03
DAV: 23 -0.847146949749E+03 -0.96088E-05 -0.17516E-06 1986 0.331E-03
1 F= -.84714695E+03 E0= -.84715082E+03 d E =0.115958E-01