./iterations/neb0_image05_iter67_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 0.422730820177E+04 0.42273E+04 -0.23876E+05 2901 0.117E+03
DAV: 2 -0.428302414870E+03 -0.46556E+04 -0.45594E+04 3360 0.329E+02
DAV: 3 -0.942521439130E+03 -0.51422E+03 -0.51196E+03 3120 0.117E+02
DAV: 4 -0.954854208245E+03 -0.12333E+02 -0.12287E+02 3201 0.196E+01
DAV: 5 -0.955253545062E+03 -0.39934E+00 -0.39882E+00 3201 0.319E+00 0.812E+01
DAV: 6 -0.847112171914E+03 0.10814E+03 -0.46996E+02 3066 0.347E+01 0.375E+01
DAV: 7 -0.846649502140E+03 0.46267E+00 -0.14893E+01 3561 0.638E+00 0.147E+01
DAV: 8 -0.846241934168E+03 0.40757E+00 -0.16151E+00 3426 0.359E+00 0.622E+00
DAV: 9 -0.846145964480E+03 0.95970E-01 -0.70997E-01 3183 0.201E+00 0.125E+00
DAV: 10 -0.846140322229E+03 0.56423E-02 -0.19572E-01 3156 0.107E+00 0.120E+00
DAV: 11 -0.846126853159E+03 0.13469E-01 -0.40357E-02 3723 0.614E-01 0.727E-01
DAV: 12 -0.846118525352E+03 0.83278E-02 -0.15704E-02 3102 0.376E-01 0.415E-01
DAV: 13 -0.846106877087E+03 0.11648E-01 -0.63171E-03 3615 0.578E-01 0.381E-01
DAV: 14 -0.846099472606E+03 0.74045E-02 -0.10046E-02 3156 0.361E-01 0.479E-01
DAV: 15 -0.846106548164E+03 -0.70756E-02 -0.44478E-03 3345 0.308E-01 0.356E-01
DAV: 16 -0.846109380436E+03 -0.28323E-02 -0.23449E-03 3786 0.255E-01 0.292E-01
DAV: 17 -0.846111405938E+03 -0.20255E-02 -0.32859E-03 3696 0.253E-01 0.206E-01
DAV: 18 -0.846113629516E+03 -0.22236E-02 -0.20486E-03 3147 0.213E-01 0.140E-01
DAV: 19 -0.846117869440E+03 -0.42399E-02 -0.14001E-03 4191 0.305E-01 0.937E-02
DAV: 20 -0.846123209480E+03 -0.53400E-02 -0.25005E-03 3597 0.346E-01 0.105E-01
DAV: 21 -0.846126626494E+03 -0.34170E-02 -0.28478E-03 3534 0.295E-01 0.153E-01
DAV: 22 -0.846128140114E+03 -0.15136E-02 -0.17726E-03 3174 0.178E-01 0.178E-01
DAV: 23 -0.846128964065E+03 -0.82395E-03 -0.56768E-04 3417 0.108E-01 0.193E-01
DAV: 24 -0.846127950625E+03 0.10134E-02 -0.43559E-04 3201 0.147E-01 0.208E-01
DAV: 25 -0.846127665126E+03 0.28550E-03 -0.18650E-04 3444 0.507E-02 0.206E-01
DAV: 26 -0.846127972498E+03 -0.30737E-03 -0.12137E-04 3075 0.334E-02 0.194E-01
DAV: 27 -0.846126350761E+03 0.16217E-02 -0.31992E-04 4488 0.378E-01 0.166E-01
DAV: 28 -0.846125556426E+03 0.79433E-03 -0.21691E-03 4344 0.289E-01 0.149E-01
DAV: 29 -0.846125527652E+03 0.28774E-04 -0.18617E-03 3102 0.958E-02 0.141E-01
DAV: 30 -0.846125526248E+03 0.14038E-05 -0.13711E-04 3084 0.226E-02 0.136E-01
DAV: 31 -0.846125457556E+03 0.68692E-04 -0.27833E-05 2328 0.126E-02 0.137E-01
DAV: 32 -0.846124822473E+03 0.63508E-03 -0.70636E-04 3840 0.184E-01 0.185E-01
DAV: 33 -0.846125290464E+03 -0.46799E-03 -0.53950E-06 3183 0.129E-01 0.163E-01
DAV: 34 -0.846126227171E+03 -0.93671E-03 -0.20890E-04 4272 0.181E-01 0.155E-01
DAV: 35 -0.846130039694E+03 -0.38125E-02 0.65783E-05 4425 0.756E-01 0.133E-01
DAV: 36 -0.846131602605E+03 -0.15629E-02 -0.45046E-03 3147 0.187E-01 0.162E-01
DAV: 37 -0.846131872045E+03 -0.26944E-03 -0.12564E-03 3129 0.671E-02 0.193E-01
DAV: 38 -0.846131848061E+03 0.23984E-04 -0.23812E-05 2283 0.921E-03 0.194E-01
DAV: 39 -0.846131952730E+03 -0.10467E-03 -0.53194E-05 2832 0.149E-02 0.207E-01
DAV: 40 -0.846131923653E+03 0.29077E-04 -0.37134E-06 1941 0.548E-03 0.207E-01
DAV: 41 -0.846131901216E+03 0.22437E-04 -0.23392E-06 1824 0.442E-03 0.205E-01
DAV: 42 -0.846131945846E+03 -0.44629E-04 -0.63660E-06 2022 0.139E-02 0.209E-01
DAV: 43 -0.846131702652E+03 0.24319E-03 -0.63357E-05 2949 0.532E-02 0.197E-01
DAV: 44 -0.846131696998E+03 0.56537E-05 -0.79512E-05 2967 0.147E-02
1 F= -.84613170E+03 E0= -.84614917E+03 d E =0.524095E-01