./iterations/neb0_image09_iter17_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     0.423513763987E+04    0.42351E+04   -0.23861E+05  2892   0.117E+03 
DAV:   2    -0.426546318270E+03   -0.46617E+04   -0.45611E+04  3357   0.329E+02 
DAV:   3    -0.942740590489E+03   -0.51619E+03   -0.51397E+03  3120   0.118E+02 
DAV:   4    -0.955116898535E+03   -0.12376E+02   -0.12331E+02  3183   0.197E+01 
DAV:   5    -0.955524288001E+03   -0.40739E+00   -0.40684E+00  3174   0.323E+00    0.812E+01
DAV:   6    -0.847600806186E+03    0.10792E+03   -0.47093E+02  3084   0.348E+01    0.376E+01
DAV:   7    -0.846968816852E+03    0.63199E+00   -0.14674E+01  3516   0.640E+00    0.148E+01
DAV:   8    -0.846687030297E+03    0.28179E+00   -0.19102E+00  3147   0.298E+00    0.593E+00
DAV:   9    -0.846554241118E+03    0.13279E+00   -0.60387E-01  3345   0.189E+00    0.145E+00
DAV:  10    -0.846544790758E+03    0.94504E-02   -0.35513E-01  3462   0.142E+00    0.144E+00
DAV:  11    -0.846524186471E+03    0.20604E-01   -0.17167E-01  3426   0.840E-01    0.124E+00
DAV:  12    -0.846513758267E+03    0.10428E-01   -0.31342E-02  3606   0.582E-01    0.816E-01
DAV:  13    -0.846508833678E+03    0.49246E-02   -0.53817E-02  3570   0.380E-01    0.637E-01
DAV:  14    -0.846499500363E+03    0.93333E-02   -0.15364E-02  3237   0.419E-01    0.345E-01
DAV:  15    -0.846496804140E+03    0.26962E-02   -0.14833E-02  3147   0.299E-01    0.272E-01
DAV:  16    -0.846495970674E+03    0.83347E-03   -0.45982E-03  3156   0.164E-01    0.158E-01
DAV:  17    -0.846496814041E+03   -0.84337E-03   -0.23003E-03  3021   0.123E-01    0.103E-01
DAV:  18    -0.846499607395E+03   -0.27934E-02   -0.18315E-03  3111   0.133E-01    0.765E-02
DAV:  19    -0.846502961128E+03   -0.33537E-02   -0.14005E-03  3084   0.937E-02    0.742E-02
DAV:  20    -0.846506029786E+03   -0.30687E-02   -0.45667E-04  3120   0.565E-02    0.412E-02
DAV:  21    -0.846507970362E+03   -0.19406E-02   -0.17265E-04  3093   0.327E-02    0.302E-02
DAV:  22    -0.846509191681E+03   -0.12213E-02   -0.10862E-04  2859   0.286E-02    0.189E-02
DAV:  23    -0.846509743335E+03   -0.55165E-03   -0.31026E-05  2130   0.153E-02    0.103E-02
DAV:  24    -0.846510021424E+03   -0.27809E-03   -0.15065E-05  2076   0.106E-02    0.531E-03
DAV:  25    -0.846510155852E+03   -0.13443E-03   -0.67546E-06  1986   0.730E-03    0.408E-03
DAV:  26    -0.846510209332E+03   -0.53480E-04   -0.37371E-06  1968   0.587E-03    0.267E-03
DAV:  27    -0.846510234513E+03   -0.25181E-04   -0.38136E-06  1968   0.501E-03    0.233E-03
DAV:  28    -0.846510239430E+03   -0.49172E-05   -0.13484E-06  1986   0.253E-03 
   1 F= -.84651024E+03 E0= -.84655941E+03  d E =0.147505E+00