iterations/neb0_image08_iter79_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     0.423671670960E+04    0.42367E+04   -0.23863E+05  2892   0.117E+03 
DAV:   2    -0.429995645495E+03   -0.46667E+04   -0.45682E+04  3378   0.329E+02 
DAV:   3    -0.942994821697E+03   -0.51300E+03   -0.51085E+03  3120   0.117E+02 
DAV:   4    -0.955168420554E+03   -0.12174E+02   -0.12129E+02  3183   0.195E+01 
DAV:   5    -0.955567431401E+03   -0.39901E+00   -0.39848E+00  3201   0.320E+00    0.812E+01
DAV:   6    -0.847574722594E+03    0.10799E+03   -0.47156E+02  3084   0.348E+01    0.376E+01
DAV:   7    -0.847003563181E+03    0.57116E+00   -0.14851E+01  3525   0.634E+00    0.148E+01
DAV:   8    -0.846667742586E+03    0.33582E+00   -0.15801E+00  3183   0.332E+00    0.600E+00
DAV:   9    -0.846569256413E+03    0.98486E-01   -0.74595E-01  3291   0.206E+00    0.152E+00
DAV:  10    -0.846554861416E+03    0.14395E-01   -0.31980E-01  3669   0.161E+00    0.168E+00
DAV:  11    -0.846537205232E+03    0.17656E-01   -0.24192E-01  3615   0.113E+00    0.101E+00
DAV:  12    -0.846525027273E+03    0.12178E-01   -0.84953E-02  3336   0.617E-01    0.848E-01
DAV:  13    -0.846514446126E+03    0.10581E-01   -0.20610E-02  3300   0.425E-01    0.535E-01
DAV:  14    -0.846511829580E+03    0.26165E-02   -0.29353E-02  3444   0.348E-01    0.389E-01
DAV:  15    -0.846508218100E+03    0.36115E-02   -0.12326E-02  3282   0.263E-01    0.221E-01
DAV:  16    -0.846508265676E+03   -0.47576E-04   -0.80843E-03  3390   0.285E-01    0.336E-01
DAV:  17    -0.846507677810E+03    0.58787E-03   -0.61881E-03  3147   0.203E-01    0.152E-01
DAV:  18    -0.846509218956E+03   -0.15411E-02   -0.28309E-03  3039   0.140E-01    0.931E-02
DAV:  19    -0.846513356839E+03   -0.41379E-02   -0.20854E-03  3093   0.127E-01    0.709E-02
DAV:  20    -0.846516293489E+03   -0.29366E-02   -0.98041E-04  3093   0.733E-02    0.488E-02
DAV:  21    -0.846518480251E+03   -0.21868E-02   -0.24663E-04  3084   0.373E-02    0.416E-02
DAV:  22    -0.846519395675E+03   -0.91542E-03   -0.12243E-04  3066   0.240E-02    0.222E-02
DAV:  23    -0.846520083755E+03   -0.68808E-03   -0.64621E-05  2643   0.231E-02    0.163E-02
DAV:  24    -0.846520625055E+03   -0.54130E-03   -0.39602E-05  2553   0.188E-02    0.106E-02
DAV:  25    -0.846520764669E+03   -0.13961E-03   -0.13905E-05  1986   0.982E-03    0.603E-03
DAV:  26    -0.846520851021E+03   -0.86353E-04   -0.58635E-06  1968   0.598E-03    0.377E-03
DAV:  27    -0.846520901215E+03   -0.50194E-04   -0.30672E-06  1968   0.430E-03    0.359E-03
DAV:  28    -0.846520919417E+03   -0.18203E-04   -0.17972E-06  1986   0.422E-03    0.153E-03
DAV:  29    -0.846520926857E+03   -0.74401E-05   -0.15306E-06  1950   0.296E-03 
   1 F= -.84652093E+03 E0= -.84657100E+03  d E =0.150213E+00