./iterations/neb0_image06_iter68_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 0.423983169459E+04 0.42398E+04 -0.23863E+05 2892 0.117E+03
DAV: 2 -0.428375369500E+03 -0.46682E+04 -0.45712E+04 3375 0.329E+02
DAV: 3 -0.942494144083E+03 -0.51412E+03 -0.51189E+03 3120 0.117E+02
DAV: 4 -0.954743919714E+03 -0.12250E+02 -0.12204E+02 3192 0.196E+01
DAV: 5 -0.955145063168E+03 -0.40114E+00 -0.40061E+00 3174 0.320E+00 0.812E+01
DAV: 6 -0.847223608139E+03 0.10792E+03 -0.46998E+02 3075 0.347E+01 0.375E+01
DAV: 7 -0.846645526087E+03 0.57808E+00 -0.14789E+01 3507 0.652E+00 0.148E+01
DAV: 8 -0.846304282354E+03 0.34124E+00 -0.14003E+00 3156 0.276E+00 0.582E+00
DAV: 9 -0.846234333728E+03 0.69949E-01 -0.53298E-01 3147 0.167E+00 0.100E+00
DAV: 10 -0.846228780382E+03 0.55533E-02 -0.56041E-02 3156 0.555E-01 0.691E-01
DAV: 11 -0.846221940537E+03 0.68398E-02 -0.18897E-02 3129 0.332E-01 0.329E-01
DAV: 12 -0.846218566524E+03 0.33740E-02 -0.37779E-03 3291 0.207E-01 0.143E-01
DAV: 13 -0.846218012688E+03 0.55384E-03 -0.45722E-03 3111 0.233E-01 0.130E-01
DAV: 14 -0.846221822294E+03 -0.38096E-02 -0.32117E-03 3093 0.148E-01 0.748E-02
DAV: 15 -0.846226218744E+03 -0.43965E-02 -0.94853E-04 3165 0.861E-02 0.404E-02
DAV: 16 -0.846228442980E+03 -0.22242E-02 -0.48453E-04 3120 0.527E-02 0.356E-02
DAV: 17 -0.846229884942E+03 -0.14420E-02 -0.10868E-04 3084 0.238E-02 0.214E-02
DAV: 18 -0.846231179552E+03 -0.12946E-02 -0.88755E-05 2823 0.300E-02 0.106E-02
DAV: 19 -0.846231449418E+03 -0.26987E-03 -0.45336E-05 2841 0.156E-02 0.845E-03
DAV: 20 -0.846231607461E+03 -0.15804E-03 -0.57161E-06 1959 0.544E-03 0.582E-03
DAV: 21 -0.846231714726E+03 -0.10726E-03 -0.59289E-06 2004 0.543E-03 0.237E-03
DAV: 22 -0.846231751735E+03 -0.37009E-04 -0.34708E-06 1977 0.506E-03 0.142E-03
DAV: 23 -0.846231757569E+03 -0.58337E-05 -0.15412E-06 1995 0.316E-03
1 F= -.84623176E+03 E0= -.84623596E+03 d E =0.125987E-01