iterations/neb0_image09_iter1_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     0.423558234534E+04    0.42356E+04   -0.23862E+05  2892   0.117E+03 
DAV:   2    -0.427187044324E+03   -0.46628E+04   -0.45630E+04  3369   0.329E+02 
DAV:   3    -0.942142525314E+03   -0.51496E+03   -0.51273E+03  3120   0.118E+02 
DAV:   4    -0.954449024884E+03   -0.12306E+02   -0.12262E+02  3183   0.196E+01 
DAV:   5    -0.954854579459E+03   -0.40555E+00   -0.40504E+00  3210   0.321E+00    0.813E+01
DAV:   6    -0.846600063231E+03    0.10825E+03   -0.47138E+02  3057   0.347E+01    0.377E+01
DAV:   7    -0.846104887369E+03    0.49518E+00   -0.14481E+01  3552   0.607E+00    0.146E+01
DAV:   8    -0.845738370137E+03    0.36652E+00   -0.95509E-01  3156   0.233E+00    0.599E+00
DAV:   9    -0.845660481408E+03    0.77889E-01   -0.43004E-01  3183   0.152E+00    0.879E-01
DAV:  10    -0.845654209203E+03    0.62722E-02   -0.67109E-02  3138   0.587E-01    0.590E-01
DAV:  11    -0.845645451956E+03    0.87572E-02   -0.80560E-03  3129   0.259E-01    0.387E-01
DAV:  12    -0.845635000176E+03    0.10452E-01   -0.11007E-02  4002   0.343E-01    0.309E-01
DAV:  13    -0.845630880821E+03    0.41194E-02   -0.56056E-03  3093   0.236E-01    0.305E-01
DAV:  14    -0.845630482161E+03    0.39866E-03   -0.59598E-03  3336   0.212E-01    0.318E-01
DAV:  15    -0.845629156923E+03    0.13252E-02   -0.19141E-03  3453   0.227E-01    0.256E-01
DAV:  16    -0.845629033955E+03    0.12297E-03   -0.21282E-03  3147   0.103E-01    0.241E-01
DAV:  17    -0.845629248997E+03   -0.21504E-03   -0.19381E-04  3075   0.412E-02    0.255E-01
DAV:  18    -0.845630091893E+03   -0.84290E-03   -0.62259E-04  4173   0.115E-01    0.244E-01
DAV:  19    -0.845633238702E+03   -0.31468E-02   -0.20867E-03  4137   0.218E-01    0.231E-01
DAV:  20    -0.845638113775E+03   -0.48751E-02   -0.36487E-03  3921   0.274E-01    0.139E-01
DAV:  21    -0.845640986745E+03   -0.28730E-02   -0.32700E-03  3804   0.237E-01    0.189E-01
DAV:  22    -0.845640134602E+03    0.85214E-03   -0.24684E-03  3309   0.202E-01    0.175E-01
DAV:  23    -0.845639018627E+03    0.11160E-02   -0.36135E-03  4533   0.283E-01    0.153E-01
DAV:  24    -0.845635383635E+03    0.36350E-02   -0.55026E-03  4497   0.431E-01    0.249E-01
DAV:  25    -0.845634511543E+03    0.87209E-03   -0.67529E-03  3120   0.182E-01    0.141E-01
DAV:  26    -0.845635386196E+03   -0.87465E-03   -0.82086E-04  3075   0.788E-02    0.182E-01
DAV:  27    -0.845635440566E+03   -0.54370E-04   -0.20168E-04  3120   0.274E-02    0.194E-01
DAV:  28    -0.845636248156E+03   -0.80759E-03   -0.26987E-04  4038   0.600E-02    0.223E-01
DAV:  29    -0.845637598119E+03   -0.13500E-02   -0.98336E-04  3129   0.101E-01    0.277E-01
DAV:  30    -0.845637544219E+03    0.53899E-04   -0.31867E-04  3129   0.399E-02    0.299E-01
DAV:  31    -0.845637637443E+03   -0.93224E-04   -0.22678E-07  2274   0.452E-02    0.316E-01
DAV:  32    -0.845638507712E+03   -0.87027E-03   -0.37346E-04  3867   0.123E-01    0.369E-01
DAV:  33    -0.845639537176E+03   -0.10295E-02   -0.15402E-04  3354   0.987E-02    0.323E-01
DAV:  34    -0.845641857490E+03   -0.23203E-02   -0.52917E-04  4434   0.179E-01    0.290E-01
DAV:  35    -0.845643605408E+03   -0.17479E-02   -0.61287E-04  4344   0.444E-01    0.197E-01
DAV:  36    -0.845644038883E+03   -0.43348E-03   -0.23915E-03  3111   0.712E-02    0.221E-01
DAV:  37    -0.845644053386E+03   -0.14503E-04   -0.49006E-05  2967   0.127E-02    0.226E-01
DAV:  38    -0.845644138510E+03   -0.85124E-04   -0.28197E-06  2031   0.239E-02    0.222E-01
DAV:  39    -0.845643383975E+03    0.75453E-03   -0.11553E-04  3354   0.122E-01    0.229E-01
DAV:  40    -0.845642242373E+03    0.11416E-02   -0.10817E-03  4173   0.132E-01    0.240E-01
DAV:  41    -0.845642258211E+03   -0.15838E-04   -0.49060E-04  3066   0.358E-02    0.217E-01
DAV:  42    -0.845642450569E+03   -0.19236E-03   -0.64893E-06  2121   0.251E-02    0.211E-01
DAV:  43    -0.845643296231E+03   -0.84566E-03   -0.50275E-04  4290   0.115E-01    0.192E-01
DAV:  44    -0.845643909731E+03   -0.61350E-03   -0.44607E-04  3948   0.103E-01    0.180E-01
DAV:  45    -0.845644897415E+03   -0.98768E-03   -0.36917E-04  4299   0.178E-01    0.175E-01
DAV:  46    -0.845646147512E+03   -0.12501E-02   -0.11444E-03  4002   0.189E-01    0.191E-01
DAV:  47    -0.845648423731E+03   -0.22762E-02   -0.16486E-03  4191   0.250E-01    0.249E-01
DAV:  48    -0.845648610408E+03   -0.18668E-03   -0.20498E-03  3075   0.745E-02    0.296E-01
DAV:  49    -0.845648939209E+03   -0.32880E-03   -0.20656E-05  2319   0.270E-02    0.301E-01
DAV:  50    -0.845648909614E+03    0.29595E-04   -0.27815E-05  2670   0.100E-02    0.307E-01
DAV:  51    -0.845648889185E+03    0.20429E-04   -0.57789E-06  1959   0.747E-03    0.303E-01
DAV:  52    -0.845648792372E+03    0.96813E-04   -0.50713E-06  1950   0.844E-03    0.299E-01
DAV:  53    -0.845647983429E+03    0.80894E-03   -0.10794E-04  3444   0.764E-02    0.295E-01
DAV:  54    -0.845648478524E+03   -0.49509E-03   -0.12846E-04  3219   0.367E-02    0.322E-01
DAV:  55    -0.845649022183E+03   -0.54366E-03   -0.85154E-05  3174   0.442E-02    0.341E-01
DAV:  56    -0.845649933317E+03   -0.91113E-03   -0.11022E-04  3498   0.920E-02    0.339E-01
DAV:  57    -0.845649871595E+03    0.61722E-04   -0.16473E-04  3039   0.455E-02    0.360E-01
DAV:  58    -0.845649257693E+03    0.61390E-03   -0.21726E-04  3597   0.871E-02    0.385E-01
DAV:  59    -0.845649067193E+03    0.19050E-03   -0.13595E-04  3129   0.317E-02    0.386E-01
DAV:  60    -0.845649096633E+03   -0.29439E-04   -0.27982E-05  2688   0.997E-03    0.380E-01
DAV:  61    -0.845648439083E+03    0.65755E-03   -0.61512E-05  3093   0.498E-02    0.363E-01
DAV:  62    -0.845649044887E+03   -0.60580E-03   -0.50999E-05  3057   0.554E-02    0.368E-01
DAV:  63    -0.845647753179E+03    0.12917E-02   -0.32453E-04  4398   0.107E-01    0.333E-01
DAV:  64    -0.845647033832E+03    0.71935E-03   -0.68794E-04  3417   0.778E-02    0.292E-01
DAV:  65    -0.845646953719E+03    0.80112E-04   -0.15540E-04  3093   0.380E-02    0.283E-01
DAV:  66    -0.845646687115E+03    0.26660E-03   -0.22790E-04  3039   0.390E-02    0.259E-01
DAV:  67    -0.845646283203E+03    0.40391E-03   -0.72731E-05  3156   0.673E-02    0.254E-01
DAV:  68    -0.845645857946E+03    0.42526E-03   -0.23662E-04  3822   0.596E-02    0.241E-01
DAV:  69    -0.845645858985E+03   -0.10388E-05   -0.10567E-04  3120   0.196E-02    0.231E-01
DAV:  70    -0.845645710038E+03    0.14895E-03   -0.28435E-06  2148   0.218E-02    0.228E-01
DAV:  71    -0.845642237027E+03    0.34730E-02   -0.32920E-03  4812   0.462E-01    0.268E-01
DAV:  72    -0.845641095550E+03    0.11415E-02   -0.35969E-03  3138   0.164E-01    0.301E-01
DAV:  73    -0.845639123071E+03    0.19725E-02   -0.11096E-03  4011   0.167E-01    0.305E-01
DAV:  74    -0.845638735418E+03    0.38765E-03   -0.11967E-03  3120   0.696E-02    0.259E-01
DAV:  75    -0.845638817029E+03   -0.81610E-04   -0.29541E-05  2445   0.119E-02    0.260E-01
DAV:  76    -0.845638828678E+03   -0.11650E-04   -0.64255E-05  3372   0.838E-02    0.292E-01
DAV:  77    -0.845637104970E+03    0.17237E-02   -0.22013E-03  4659   0.182E-01    0.157E-01
DAV:  78    -0.845637253191E+03   -0.14822E-03   -0.50950E-04  3039   0.340E-02    0.142E-01
DAV:  79    -0.845637657610E+03   -0.40442E-03   -0.16374E-04  2895   0.601E-02    0.164E-01
DAV:  80    -0.845637819182E+03   -0.16157E-03   -0.11195E-04  3651   0.691E-02    0.126E-01
DAV:  81    -0.845637288544E+03    0.53064E-03   -0.11580E-03  3318   0.214E-01    0.273E-01
DAV:  82    -0.845638418920E+03   -0.11304E-02   -0.25833E-02  4569   0.337E-01    0.595E-01
DAV:  83    -0.845638932719E+03   -0.51380E-03   -0.20839E-03  3102   0.994E-02    0.758E-01
DAV:  84    -0.845637869699E+03    0.10630E-02   -0.28702E-04  3012   0.330E-02    0.778E-01
DAV:  85    -0.845636902693E+03    0.96701E-03   -0.15282E-06  2040   0.177E-02    0.733E-01
DAV:  86    -0.845645306113E+03   -0.84034E-02   -0.13151E-03  4749   0.171E-01    0.112E+00
DAV:  87    -0.845637408247E+03    0.78979E-02   -0.33244E-04  3669   0.129E-01    0.847E-01
DAV:  88    -0.845636038111E+03    0.13701E-02    0.24825E-04  4371   0.200E-01    0.543E-01
DAV:  89    -0.845635967885E+03    0.70226E-04   -0.10863E-03  4209   0.190E-01    0.203E-01
DAV:  90    -0.845637505558E+03   -0.15377E-02   -0.94412E-04  3102   0.108E-01    0.144E-01
DAV:  91    -0.845637601757E+03   -0.96199E-04   -0.73270E-04  3030   0.676E-02    0.986E-02
DAV:  92    -0.845638443628E+03   -0.84187E-03   -0.87562E-04  4389   0.118E-01    0.157E-01
DAV:  93    -0.845638496105E+03   -0.52477E-04   -0.29440E-04  3093   0.313E-02    0.169E-01
DAV:  94    -0.845638095224E+03    0.40088E-03   -0.82471E-05  2544   0.426E-02    0.141E-01
DAV:  95    -0.845638024275E+03    0.70949E-04   -0.83651E-05  2877   0.201E-02    0.128E-01
DAV:  96    -0.845638206840E+03   -0.18256E-03   -0.12850E-04  3210   0.447E-02    0.156E-01
DAV:  97    -0.845638117549E+03    0.89291E-04   -0.49192E-05  2877   0.180E-02    0.156E-01
DAV:  98    -0.845638585549E+03   -0.46800E-03   -0.45597E-05  2328   0.606E-02    0.171E-01
DAV:  99    -0.845638163074E+03    0.42248E-03   -0.21427E-04  3129   0.548E-02    0.131E-01
DAV: 100    -0.845638600053E+03   -0.43698E-03   -0.33069E-05  2814   0.784E-02    0.141E-01
DAV: 101    -0.845643619435E+03   -0.50194E-02   -0.10194E-02  5019   0.641E-01    0.994E-02
DAV: 102    -0.845644963728E+03   -0.13443E-02   -0.74759E-03  3120   0.139E-01    0.152E-01
DAV: 103    -0.845645219442E+03   -0.25571E-03   -0.33951E-04  3345   0.468E-02    0.163E-01
DAV: 104    -0.845645247997E+03   -0.28555E-04   -0.39710E-05  3003   0.117E-02    0.168E-01
DAV: 105    -0.845644811078E+03    0.43692E-03   -0.69405E-05  3165   0.716E-02    0.168E-01
DAV: 106    -0.845644497952E+03    0.31313E-03   -0.17646E-04  3534   0.587E-02    0.166E-01
DAV: 107    -0.845644499969E+03   -0.20170E-05   -0.98050E-05  3102   0.163E-02 
   1 F= -.84564450E+03 E0= -.84565501E+03  d E =0.315375E-01