./iterations/neb0_image07_iter21_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 0.423308215010E+04 0.42331E+04 -0.23857E+05 2892 0.117E+03
DAV: 2 -0.425214259939E+03 -0.46583E+04 -0.45608E+04 3348 0.329E+02
DAV: 3 -0.942147667782E+03 -0.51693E+03 -0.51466E+03 3120 0.118E+02
DAV: 4 -0.954568386694E+03 -0.12421E+02 -0.12374E+02 3192 0.196E+01
DAV: 5 -0.954972793697E+03 -0.40441E+00 -0.40384E+00 3183 0.321E+00 0.810E+01
DAV: 6 -0.846950854667E+03 0.10802E+03 -0.47065E+02 3057 0.347E+01 0.375E+01
DAV: 7 -0.846453649665E+03 0.49721E+00 -0.14696E+01 3561 0.641E+00 0.146E+01
DAV: 8 -0.846115728037E+03 0.33792E+00 -0.11596E+00 3192 0.266E+00 0.608E+00
DAV: 9 -0.846039421841E+03 0.76306E-01 -0.77154E-01 3498 0.249E+00 0.120E+00
DAV: 10 -0.846026455718E+03 0.12966E-01 -0.18122E-01 3147 0.956E-01 0.961E-01
DAV: 11 -0.846013666458E+03 0.12789E-01 -0.68472E-02 3174 0.598E-01 0.837E-01
DAV: 12 -0.846007857900E+03 0.58086E-02 -0.19019E-02 3615 0.439E-01 0.556E-01
DAV: 13 -0.846000318353E+03 0.75395E-02 -0.45844E-03 3192 0.255E-01 0.330E-01
DAV: 14 -0.845990300317E+03 0.10018E-01 -0.11242E-02 4515 0.674E-01 0.117E+00
DAV: 15 -0.845980079629E+03 0.10221E-01 -0.11623E-02 3120 0.273E-01 0.965E-01
DAV: 16 -0.845988998962E+03 -0.89193E-02 -0.13441E-02 3894 0.327E-01 0.118E+00
DAV: 17 -0.845982527778E+03 0.64712E-02 -0.50354E-03 3003 0.169E-01 0.103E+00
DAV: 18 -0.845974561510E+03 0.79663E-02 -0.86478E-03 3831 0.427E-01 0.557E-01
DAV: 19 -0.845974701033E+03 -0.13952E-03 -0.75110E-03 3165 0.220E-01 0.370E-01
DAV: 20 -0.845974935146E+03 -0.23411E-03 -0.32435E-03 3336 0.149E-01 0.276E-01
DAV: 21 -0.845977267987E+03 -0.23328E-02 -0.55196E-03 3588 0.154E-01 0.554E-01
DAV: 22 -0.845979564334E+03 -0.22963E-02 -0.11043E-02 4020 0.260E-01 0.423E-01
DAV: 23 -0.845978736081E+03 0.82825E-03 -0.39489E-03 3273 0.152E-01 0.275E-01
DAV: 24 -0.845978398412E+03 0.33767E-03 -0.24909E-03 3732 0.125E-01 0.114E-01
DAV: 25 -0.845981256593E+03 -0.28582E-02 -0.35138E-03 3822 0.149E-01 0.306E-01
DAV: 26 -0.845982088997E+03 -0.83240E-03 -0.17789E-03 3228 0.985E-02 0.299E-01
DAV: 27 -0.845982223224E+03 -0.13423E-03 -0.11453E-03 3606 0.942E-02 0.141E-01
DAV: 28 -0.845982971162E+03 -0.74794E-03 -0.86249E-04 3597 0.641E-02 0.929E-02
DAV: 29 -0.845983246049E+03 -0.27489E-03 -0.22118E-04 3102 0.389E-02 0.369E-02
DAV: 30 -0.845983730480E+03 -0.48443E-03 -0.11349E-04 3165 0.336E-02 0.262E-02
DAV: 31 -0.845983902765E+03 -0.17229E-03 -0.44183E-05 2643 0.311E-02 0.115E-02
DAV: 32 -0.845984047399E+03 -0.14463E-03 -0.31698E-05 2697 0.319E-02 0.170E-02
DAV: 33 -0.845984091333E+03 -0.43934E-04 -0.49382E-05 2985 0.206E-02 0.161E-02
DAV: 34 -0.845984099613E+03 -0.82796E-05 -0.10026E-05 2004 0.787E-03
1 F= -.84598410E+03 E0= -.84602867E+03 d E =0.133713E+00