./iterations/neb0_image07_iter54_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     0.423829914189E+04    0.42383E+04   -0.23864E+05  2892   0.117E+03 
DAV:   2    -0.427101975784E+03   -0.46654E+04   -0.45675E+04  3354   0.329E+02 
DAV:   3    -0.942694930026E+03   -0.51559E+03   -0.51336E+03  3120   0.118E+02 
DAV:   4    -0.955025869623E+03   -0.12331E+02   -0.12284E+02  3183   0.196E+01 
DAV:   5    -0.955431113676E+03   -0.40524E+00   -0.40469E+00  3183   0.321E+00    0.812E+01
DAV:   6    -0.847439443790E+03    0.10799E+03   -0.47089E+02  3102   0.348E+01    0.376E+01
DAV:   7    -0.846790022139E+03    0.64942E+00   -0.14854E+01  3534   0.653E+00    0.148E+01
DAV:   8    -0.846479497051E+03    0.31053E+00   -0.12856E+00  3192   0.294E+00    0.594E+00
DAV:   9    -0.846393245199E+03    0.86252E-01   -0.52377E-01  3300   0.213E+00    0.172E+00
DAV:  10    -0.846399572394E+03   -0.63272E-02   -0.14216E-01  3489   0.115E+00    0.125E+00
DAV:  11    -0.846374256244E+03    0.25316E-01   -0.42782E-02  3192   0.571E-01    0.110E+00
DAV:  12    -0.846360807381E+03    0.13449E-01   -0.11963E-01  3840   0.766E-01    0.105E+00
DAV:  13    -0.846350489596E+03    0.10318E-01   -0.69710E-02  3318   0.488E-01    0.492E-01
DAV:  14    -0.846348217370E+03    0.22722E-02   -0.18423E-02  3489   0.380E-01    0.486E-01
DAV:  15    -0.846346052260E+03    0.21651E-02   -0.14899E-02  3417   0.256E-01    0.384E-01
DAV:  16    -0.846346730351E+03   -0.67809E-03   -0.18280E-02  3408   0.217E-01    0.541E-01
DAV:  17    -0.846345482817E+03    0.12475E-02   -0.44896E-03  3129   0.182E-01    0.336E-01
DAV:  18    -0.846347641724E+03   -0.21589E-02   -0.95027E-03  3561   0.191E-01    0.247E-01
DAV:  19    -0.846350151770E+03   -0.25100E-02   -0.15052E-03  3093   0.126E-01    0.175E-01
DAV:  20    -0.846352301877E+03   -0.21501E-02   -0.13872E-03  3102   0.832E-02    0.638E-02
DAV:  21    -0.846354157682E+03   -0.18558E-02   -0.81617E-04  3165   0.623E-02    0.150E-01
DAV:  22    -0.846355528390E+03   -0.13707E-02   -0.32702E-04  3111   0.479E-02    0.537E-02
DAV:  23    -0.846356129675E+03   -0.60128E-03   -0.92725E-05  3102   0.271E-02    0.524E-02
DAV:  24    -0.846356707073E+03   -0.57740E-03   -0.11600E-04  2796   0.215E-02    0.133E-02
DAV:  25    -0.846357158579E+03   -0.45151E-03   -0.32110E-05  2409   0.152E-02    0.160E-02
DAV:  26    -0.846357273165E+03   -0.11459E-03   -0.17904E-05  2022   0.110E-02    0.809E-03
DAV:  27    -0.846357354924E+03   -0.81759E-04   -0.83046E-06  1959   0.710E-03    0.113E-02
DAV:  28    -0.846357381684E+03   -0.26760E-04   -0.35905E-06  1995   0.584E-03    0.843E-03
DAV:  29    -0.846357391393E+03   -0.97087E-05   -0.35899E-06  1968   0.509E-03 
   1 F= -.84635739E+03 E0= -.84640493E+03  d E =0.142617E+00