./iterations/neb0_image01_iter59_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 0.423205691613E+04 0.42321E+04 -0.23864E+05 2892 0.117E+03
DAV: 2 -0.430658892042E+03 -0.46627E+04 -0.45597E+04 3360 0.329E+02
DAV: 3 -0.943514164635E+03 -0.51286E+03 -0.51064E+03 3120 0.117E+02
DAV: 4 -0.955731278458E+03 -0.12217E+02 -0.12172E+02 3192 0.195E+01
DAV: 5 -0.956126334059E+03 -0.39506E+00 -0.39452E+00 3192 0.318E+00 0.813E+01
DAV: 6 -0.848050986233E+03 0.10808E+03 -0.47101E+02 3066 0.347E+01 0.376E+01
DAV: 7 -0.847583111416E+03 0.46787E+00 -0.14385E+01 3543 0.606E+00 0.146E+01
DAV: 8 -0.847246379879E+03 0.33673E+00 -0.95651E-01 3147 0.236E+00 0.593E+00
DAV: 9 -0.847200642234E+03 0.45738E-01 -0.41020E-01 3192 0.150E+00 0.857E-01
DAV: 10 -0.847207094096E+03 -0.64519E-02 -0.70376E-02 3138 0.595E-01 0.587E-01
DAV: 11 -0.847206931549E+03 0.16255E-03 -0.64537E-03 3120 0.207E-01 0.331E-01
DAV: 12 -0.847208416514E+03 -0.14850E-02 -0.70355E-03 3057 0.243E-01 0.117E-01
DAV: 13 -0.847211823226E+03 -0.34067E-02 -0.43006E-03 3192 0.208E-01 0.134E-01
DAV: 14 -0.847215844915E+03 -0.40217E-02 -0.28209E-03 3129 0.138E-01 0.936E-02
DAV: 15 -0.847220774277E+03 -0.49294E-02 -0.12469E-03 3048 0.883E-02 0.364E-02
DAV: 16 -0.847222933277E+03 -0.21590E-02 -0.39862E-04 3147 0.474E-02 0.365E-02
DAV: 17 -0.847223976892E+03 -0.10436E-02 -0.18652E-04 3084 0.330E-02 0.245E-02
DAV: 18 -0.847224720267E+03 -0.74338E-03 -0.27091E-05 2364 0.182E-02 0.135E-02
DAV: 19 -0.847225263776E+03 -0.54351E-03 -0.38623E-05 2670 0.207E-02 0.738E-03
DAV: 20 -0.847225361469E+03 -0.97693E-04 -0.33466E-05 2724 0.148E-02 0.696E-03
DAV: 21 -0.847225393703E+03 -0.32234E-04 -0.35253E-06 2004 0.440E-03 0.600E-03
DAV: 22 -0.847225413208E+03 -0.19505E-04 -0.20897E-06 1995 0.340E-03 0.278E-03
DAV: 23 -0.847225421581E+03 -0.83729E-05 -0.15900E-06 1977 0.306E-03
1 F= -.84722542E+03 E0= -.84722929E+03 d E =0.115958E-01