./iterations/neb0_image02_iter55_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 0.423349689178E+04 0.42335E+04 -0.23865E+05 2892 0.117E+03
DAV: 2 -0.430444704250E+03 -0.46639E+04 -0.45627E+04 3366 0.329E+02
DAV: 3 -0.943338783866E+03 -0.51289E+03 -0.51069E+03 3120 0.117E+02
DAV: 4 -0.955537253519E+03 -0.12198E+02 -0.12153E+02 3183 0.195E+01
DAV: 5 -0.955938143936E+03 -0.40089E+00 -0.40036E+00 3201 0.320E+00 0.812E+01
DAV: 6 -0.847919344210E+03 0.10802E+03 -0.47062E+02 3066 0.347E+01 0.376E+01
DAV: 7 -0.847456496120E+03 0.46285E+00 -0.14417E+01 3534 0.608E+00 0.146E+01
DAV: 8 -0.847121381916E+03 0.33511E+00 -0.95806E-01 3156 0.236E+00 0.593E+00
DAV: 9 -0.847074731794E+03 0.46650E-01 -0.40838E-01 3192 0.152E+00 0.855E-01
DAV: 10 -0.847081787042E+03 -0.70552E-02 -0.73056E-02 3102 0.606E-01 0.595E-01
DAV: 11 -0.847081889093E+03 -0.10205E-03 -0.66506E-03 3120 0.207E-01 0.340E-01
DAV: 12 -0.847083479472E+03 -0.15904E-02 -0.70502E-03 3057 0.241E-01 0.119E-01
DAV: 13 -0.847087039389E+03 -0.35599E-02 -0.44466E-03 3210 0.211E-01 0.135E-01
DAV: 14 -0.847091256519E+03 -0.42171E-02 -0.29530E-03 3120 0.143E-01 0.944E-02
DAV: 15 -0.847096042114E+03 -0.47856E-02 -0.11648E-03 3129 0.839E-02 0.346E-02
DAV: 16 -0.847098426877E+03 -0.23848E-02 -0.42192E-04 3102 0.481E-02 0.372E-02
DAV: 17 -0.847099508748E+03 -0.10819E-02 -0.21189E-04 3093 0.358E-02 0.252E-02
DAV: 18 -0.847100210462E+03 -0.70171E-03 -0.30733E-05 2472 0.194E-02 0.133E-02
DAV: 19 -0.847100775955E+03 -0.56549E-03 -0.39017E-05 2688 0.213E-02 0.701E-03
DAV: 20 -0.847100879792E+03 -0.10384E-03 -0.30102E-05 2616 0.140E-02 0.631E-03
DAV: 21 -0.847100917519E+03 -0.37727E-04 -0.32829E-06 1995 0.431E-03 0.562E-03
DAV: 22 -0.847100938439E+03 -0.20919E-04 -0.20268E-06 1995 0.335E-03 0.255E-03
DAV: 23 -0.847100947040E+03 -0.86012E-05 -0.15700E-06 1986 0.313E-03
1 F= -.84710095E+03 E0= -.84710481E+03 d E =0.115958E-01