./iterations/neb0_image06_iter66_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 0.424015480465E+04 0.42402E+04 -0.23863E+05 2892 0.117E+03
DAV: 2 -0.427106863817E+03 -0.46673E+04 -0.45697E+04 3366 0.329E+02
DAV: 3 -0.942443275716E+03 -0.51534E+03 -0.51309E+03 3120 0.118E+02
DAV: 4 -0.954775126908E+03 -0.12332E+02 -0.12286E+02 3192 0.196E+01
DAV: 5 -0.955179770139E+03 -0.40464E+00 -0.40411E+00 3174 0.322E+00 0.812E+01
DAV: 6 -0.847190873198E+03 0.10799E+03 -0.47006E+02 3057 0.347E+01 0.375E+01
DAV: 7 -0.846624161682E+03 0.56671E+00 -0.14855E+01 3543 0.651E+00 0.148E+01
DAV: 8 -0.846283225963E+03 0.34094E+00 -0.14343E+00 3147 0.279E+00 0.584E+00
DAV: 9 -0.846212839821E+03 0.70386E-01 -0.56130E-01 3147 0.169E+00 0.102E+00
DAV: 10 -0.846206389785E+03 0.64500E-02 -0.60669E-02 3156 0.574E-01 0.710E-01
DAV: 11 -0.846199635564E+03 0.67542E-02 -0.20692E-02 3129 0.336E-01 0.341E-01
DAV: 12 -0.846196121632E+03 0.35139E-02 -0.38721E-03 3246 0.214E-01 0.143E-01
DAV: 13 -0.846195408543E+03 0.71309E-03 -0.46928E-03 3066 0.234E-01 0.129E-01
DAV: 14 -0.846199155963E+03 -0.37474E-02 -0.31800E-03 3084 0.146E-01 0.758E-02
DAV: 15 -0.846203776570E+03 -0.46206E-02 -0.10575E-03 3147 0.885E-02 0.418E-02
DAV: 16 -0.846205816193E+03 -0.20396E-02 -0.49292E-04 3120 0.503E-02 0.386E-02
DAV: 17 -0.846207019426E+03 -0.12032E-02 -0.81719E-05 3066 0.203E-02 0.257E-02
DAV: 18 -0.846208514248E+03 -0.14948E-02 -0.10318E-04 2832 0.318E-02 0.117E-02
DAV: 19 -0.846208890014E+03 -0.37577E-03 -0.50142E-05 2814 0.178E-02 0.947E-03
DAV: 20 -0.846209054300E+03 -0.16429E-03 -0.72449E-06 1968 0.655E-03 0.694E-03
DAV: 21 -0.846209136801E+03 -0.82500E-04 -0.33753E-06 1986 0.424E-03 0.359E-03
DAV: 22 -0.846209204286E+03 -0.67485E-04 -0.44034E-06 1995 0.596E-03 0.119E-03
DAV: 23 -0.846209211004E+03 -0.67179E-05 -0.21008E-06 2013 0.293E-03
1 F= -.84620921E+03 E0= -.84621311E+03 d E =0.116857E-01