./iterations/neb0_image02_iter25_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 0.423145335305E+04 0.42315E+04 -0.23864E+05 2892 0.117E+03
DAV: 2 -0.430171141658E+03 -0.46616E+04 -0.45613E+04 3357 0.329E+02
DAV: 3 -0.943154014420E+03 -0.51298E+03 -0.51078E+03 3120 0.117E+02
DAV: 4 -0.955405986393E+03 -0.12252E+02 -0.12206E+02 3192 0.195E+01
DAV: 5 -0.955804083630E+03 -0.39810E+00 -0.39755E+00 3192 0.318E+00 0.812E+01
DAV: 6 -0.847735676215E+03 0.10807E+03 -0.47107E+02 3066 0.347E+01 0.376E+01
DAV: 7 -0.847271005665E+03 0.46467E+00 -0.14368E+01 3552 0.608E+00 0.146E+01
DAV: 8 -0.846937634614E+03 0.33337E+00 -0.95876E-01 3156 0.238E+00 0.593E+00
DAV: 9 -0.846893719996E+03 0.43915E-01 -0.41102E-01 3183 0.153E+00 0.857E-01
DAV: 10 -0.846900678805E+03 -0.69588E-02 -0.72718E-02 3111 0.608E-01 0.594E-01
DAV: 11 -0.846900669350E+03 0.94548E-05 -0.65901E-03 3111 0.209E-01 0.338E-01
DAV: 12 -0.846902029357E+03 -0.13600E-02 -0.68815E-03 3057 0.243E-01 0.118E-01
DAV: 13 -0.846905415628E+03 -0.33863E-02 -0.43714E-03 3210 0.212E-01 0.133E-01
DAV: 14 -0.846909473917E+03 -0.40583E-02 -0.29487E-03 3093 0.143E-01 0.934E-02
DAV: 15 -0.846914236535E+03 -0.47626E-02 -0.11920E-03 3111 0.872E-02 0.360E-02
DAV: 16 -0.846916480452E+03 -0.22439E-02 -0.40108E-04 3084 0.483E-02 0.368E-02
DAV: 17 -0.846917555955E+03 -0.10755E-02 -0.21982E-04 3102 0.360E-02 0.252E-02
DAV: 18 -0.846918250868E+03 -0.69491E-03 -0.29574E-05 2436 0.194E-02 0.135E-02
DAV: 19 -0.846918808472E+03 -0.55760E-03 -0.40432E-05 2724 0.216E-02 0.703E-03
DAV: 20 -0.846918902296E+03 -0.93824E-04 -0.30325E-05 2598 0.139E-02 0.657E-03
DAV: 21 -0.846918940231E+03 -0.37935E-04 -0.33030E-06 2004 0.434E-03 0.571E-03
DAV: 22 -0.846918961892E+03 -0.21661E-04 -0.21866E-06 1986 0.354E-03 0.263E-03
DAV: 23 -0.846918970394E+03 -0.85019E-05 -0.17142E-06 1986 0.327E-03
1 F= -.84691897E+03 E0= -.84692284E+03 d E =0.115958E-01