./iterations/neb0_image07_iter39_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     0.423838008909E+04    0.42384E+04   -0.23865E+05  2892   0.117E+03 
DAV:   2    -0.425453027941E+03   -0.46638E+04   -0.45662E+04  3345   0.329E+02 
DAV:   3    -0.942615602074E+03   -0.51716E+03   -0.51491E+03  3120   0.118E+02 
DAV:   4    -0.955017334154E+03   -0.12402E+02   -0.12354E+02  3183   0.196E+01 
DAV:   5    -0.955425814952E+03   -0.40848E+00   -0.40794E+00  3192   0.322E+00    0.812E+01
DAV:   6    -0.847216199583E+03    0.10821E+03   -0.47106E+02  3057   0.347E+01    0.376E+01
DAV:   7    -0.846728804034E+03    0.48740E+00   -0.15024E+01  3534   0.625E+00    0.147E+01
DAV:   8    -0.846379043336E+03    0.34976E+00   -0.10512E+00  3138   0.238E+00    0.591E+00
DAV:   9    -0.846303186306E+03    0.75857E-01   -0.46876E-01  3174   0.155E+00    0.915E-01
DAV:  10    -0.846293547903E+03    0.96384E-02   -0.57145E-02  3147   0.603E-01    0.748E-01
DAV:  11    -0.846284345025E+03    0.92029E-02   -0.15766E-02  3588   0.415E-01    0.861E-01
DAV:  12    -0.846269772404E+03    0.14573E-01   -0.77887E-03  3597   0.346E-01    0.692E-01
DAV:  13    -0.846267622466E+03    0.21499E-02   -0.34091E-03  3048   0.116E-01    0.679E-01
DAV:  14    -0.846265469635E+03    0.21528E-02   -0.99114E-05  3210   0.458E-02    0.692E-01
DAV:  15    -0.846274562581E+03   -0.90929E-02   -0.86962E-04  4074   0.413E-01    0.460E-01
DAV:  16    -0.846276317198E+03   -0.17546E-02   -0.93722E-03  3579   0.575E-01    0.439E-01
DAV:  17    -0.846283665096E+03   -0.73479E-02   -0.11048E-02  3597   0.591E-01    0.601E-01
DAV:  18    -0.846286848863E+03   -0.31838E-02   -0.95659E-03  3156   0.283E-01    0.678E-01
DAV:  19    -0.846286627232E+03    0.22163E-03   -0.27366E-03  3084   0.128E-01    0.638E-01
DAV:  20    -0.846284189830E+03    0.24374E-02   -0.18672E-03  4191   0.313E-01    0.598E-01
DAV:  21    -0.846290001699E+03   -0.58119E-02   -0.58081E-02  3948   0.650E-01    0.121E+00
DAV:  22    -0.846283767294E+03    0.62344E-02   -0.39670E-03  3075   0.297E-01    0.774E-01
DAV:  23    -0.846293819679E+03   -0.10052E-01   -0.55975E-03  3462   0.530E-01    0.145E+00
DAV:  24    -0.846308721145E+03   -0.14901E-01   -0.73017E-03  4776   0.680E-01    0.161E+00
DAV:  25    -0.846304516247E+03    0.42049E-02   -0.38713E-03  3012   0.163E-01    0.164E+00
DAV:  26    -0.846324443433E+03   -0.19927E-01   -0.74474E-03  4470   0.440E-01    0.177E+00
DAV:  27    -0.846296779729E+03    0.27664E-01   -0.10047E-02  4686   0.432E-01    0.148E+00
DAV:  28    -0.846270923248E+03    0.25856E-01   -0.83601E-02  4020   0.918E-01    0.646E-01
DAV:  29    -0.846273977665E+03   -0.30544E-02   -0.17338E-02  2994   0.283E-01    0.350E-01
DAV:  30    -0.846274866309E+03   -0.88864E-03   -0.25919E-03  3192   0.130E-01    0.440E-01
DAV:  31    -0.846275753044E+03   -0.88674E-03   -0.39077E-03  3786   0.252E-01    0.383E-01
DAV:  32    -0.846264017137E+03    0.11736E-01    0.39621E-03  4281   0.660E-01    0.766E-01
DAV:  33    -0.846260787262E+03    0.32299E-02   -0.98154E-03  3129   0.180E-01    0.726E-01
DAV:  34    -0.846261179234E+03   -0.39197E-03   -0.36235E-04  3111   0.432E-02    0.736E-01
DAV:  35    -0.846261341345E+03   -0.16211E-03   -0.18308E-05  2238   0.119E-02    0.739E-01
DAV:  36    -0.846262922159E+03   -0.15808E-02   -0.23053E-04  4290   0.941E-02    0.733E-01
DAV:  37    -0.846259477975E+03    0.34442E-02    0.19251E-04  4461   0.147E-01    0.663E-01
DAV:  38    -0.846260137503E+03   -0.65953E-03   -0.63389E-04  3156   0.554E-02    0.636E-01
DAV:  39    -0.846260421826E+03   -0.28432E-03   -0.13610E-04  3633   0.339E-02    0.634E-01
DAV:  40    -0.846260468133E+03   -0.46307E-04   -0.90767E-04  4092   0.927E-02    0.661E-01
DAV:  41    -0.846262585656E+03   -0.21175E-02   -0.30705E-03  4236   0.218E-01    0.666E-01
DAV:  42    -0.846265330991E+03   -0.27453E-02   -0.30814E-03  3129   0.142E-01    0.663E-01
DAV:  43    -0.846266661804E+03   -0.13308E-02   -0.96698E-04  3480   0.107E-01    0.653E-01
DAV:  44    -0.846267683247E+03   -0.10214E-02   -0.39804E-04  3048   0.484E-02    0.680E-01
DAV:  45    -0.846268075786E+03   -0.39254E-03   -0.13811E-04  3840   0.586E-02    0.665E-01
DAV:  46    -0.846271792992E+03   -0.37172E-02   -0.10699E-03  4155   0.154E-01    0.681E-01
DAV:  47    -0.846271335707E+03    0.45729E-03   -0.64891E-04  3300   0.796E-02    0.703E-01
DAV:  48    -0.846267956698E+03    0.33790E-02   -0.18268E-04  3453   0.117E-01    0.654E-01
DAV:  49    -0.846267415407E+03    0.54129E-03   -0.27311E-04  3228   0.365E-02    0.640E-01
DAV:  50    -0.846278025823E+03   -0.10610E-01   -0.41843E-03  4299   0.335E-01    0.722E-01
DAV:  51    -0.846279845164E+03   -0.18193E-02   -0.60105E-02  4065   0.633E-01    0.111E+00
DAV:  52    -0.846273518355E+03    0.63268E-02   -0.61224E-03  3003   0.206E-01    0.918E-01
DAV:  53    -0.846271645490E+03    0.18729E-02   -0.25317E-03  3129   0.154E-01    0.913E-01
DAV:  54    -0.846267898606E+03    0.37469E-02   -0.58049E-03  3723   0.188E-01    0.666E-01
DAV:  55    -0.846262609767E+03    0.52888E-02   -0.89837E-03  4326   0.278E-01    0.562E-01
DAV:  56    -0.846263561276E+03   -0.95151E-03   -0.30634E-03  3075   0.145E-01    0.551E-01
DAV:  57    -0.846263231280E+03    0.33000E-03   -0.55252E-04  3012   0.462E-02    0.549E-01
DAV:  58    -0.846263164872E+03    0.66408E-04   -0.98088E-06  2031   0.639E-03    0.548E-01
DAV:  59    -0.846263144708E+03    0.20164E-04   -0.27692E-06  1815   0.357E-03    0.548E-01
DAV:  60    -0.846262927947E+03    0.21676E-03   -0.93529E-06  2022   0.200E-02    0.538E-01
DAV:  61    -0.846259869891E+03    0.30581E-02   -0.16302E-03  4416   0.170E-01    0.529E-01
DAV:  62    -0.846260105965E+03   -0.23607E-03   -0.61213E-04  3039   0.428E-02    0.513E-01
DAV:  63    -0.846261328471E+03   -0.12225E-02   -0.14448E-04  3381   0.548E-02    0.553E-01
DAV:  64    -0.846264658807E+03   -0.33303E-02   -0.79822E-04  4245   0.126E-01    0.627E-01
DAV:  65    -0.846264319797E+03    0.33901E-03   -0.43718E-04  3075   0.355E-02    0.635E-01
DAV:  66    -0.846261423045E+03    0.28968E-02   -0.18132E-02  4470   0.552E-01    0.598E-01
DAV:  67    -0.846261095172E+03    0.32787E-03   -0.10563E-02  3030   0.160E-01    0.627E-01
DAV:  68    -0.846261001279E+03    0.93892E-04   -0.61513E-04  3309   0.406E-02    0.625E-01
DAV:  69    -0.846261549218E+03   -0.54794E-03   -0.34122E-05  2409   0.281E-02    0.655E-01
DAV:  70    -0.846261775655E+03   -0.22644E-03   -0.43839E-03  4515   0.129E-01    0.640E-01
DAV:  71    -0.846274816032E+03   -0.13040E-01   -0.39905E-03  4506   0.410E-01    0.754E-01
DAV:  72    -0.846274034123E+03    0.78191E-03   -0.15375E-03  3120   0.768E-02    0.765E-01
DAV:  73    -0.846273689959E+03    0.34416E-03   -0.35460E-04  3093   0.519E-02    0.734E-01
DAV:  74    -0.846276211228E+03   -0.25213E-02   -0.26227E-04  3615   0.123E-01    0.658E-01
DAV:  75    -0.846276217295E+03   -0.60669E-05   -0.14108E-03  3930   0.181E-01    0.698E-01
DAV:  76    -0.846277077489E+03   -0.86019E-03   -0.21213E-03  2985   0.105E-01    0.669E-01
DAV:  77    -0.846276460160E+03    0.61733E-03   -0.39483E-04  3174   0.640E-02    0.707E-01
DAV:  78    -0.846276295730E+03    0.16443E-03   -0.16596E-04  3156   0.248E-02    0.713E-01
DAV:  79    -0.846276245203E+03    0.50527E-04   -0.33232E-06  1869   0.360E-03    0.713E-01
DAV:  80    -0.846276002753E+03    0.24245E-03   -0.20942E-06  1950   0.798E-03    0.716E-01
DAV:  81    -0.846276233383E+03   -0.23063E-03   -0.22897E-05  2598   0.182E-02    0.714E-01
DAV:  82    -0.846276317720E+03   -0.84337E-04   -0.10497E-05  2067   0.950E-03    0.717E-01
DAV:  83    -0.846276318177E+03   -0.45665E-06   -0.35609E-06  1950   0.449E-03 
   1 F= -.84627632E+03 E0= -.84631165E+03  d E =0.106008E+00