./iterations/neb0_image08_iter34_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 0.423602330913E+04 0.42360E+04 -0.23861E+05 2892 0.117E+03
DAV: 2 -0.428072895017E+03 -0.46641E+04 -0.45649E+04 3366 0.329E+02
DAV: 3 -0.942786621313E+03 -0.51471E+03 -0.51251E+03 3120 0.118E+02
DAV: 4 -0.955060827484E+03 -0.12274E+02 -0.12228E+02 3183 0.196E+01
DAV: 5 -0.955464619447E+03 -0.40379E+00 -0.40326E+00 3192 0.321E+00 0.812E+01
DAV: 6 -0.847476206366E+03 0.10799E+03 -0.47081E+02 3075 0.347E+01 0.376E+01
DAV: 7 -0.846896426455E+03 0.57978E+00 -0.14748E+01 3507 0.638E+00 0.148E+01
DAV: 8 -0.846570435720E+03 0.32599E+00 -0.13103E+00 3390 0.319E+00 0.612E+00
DAV: 9 -0.846512417965E+03 0.58018E-01 -0.90762E-01 3327 0.244E+00 0.141E+00
DAV: 10 -0.846470303348E+03 0.42115E-01 -0.21235E-01 3165 0.118E+00 0.137E+00
DAV: 11 -0.846455471320E+03 0.14832E-01 -0.14355E-01 3579 0.935E-01 0.158E+00
DAV: 12 -0.846432756302E+03 0.22715E-01 -0.39676E-02 3354 0.507E-01 0.877E-01
DAV: 13 -0.846435257805E+03 -0.25015E-02 -0.79267E-02 3777 0.454E-01 0.953E-01
DAV: 14 -0.846424602115E+03 0.10656E-01 -0.53940E-02 3597 0.474E-01 0.554E-01
DAV: 15 -0.846423765654E+03 0.83646E-03 -0.21195E-02 3426 0.339E-01 0.573E-01
DAV: 16 -0.846420046503E+03 0.37192E-02 -0.84502E-03 3300 0.300E-01 0.413E-01
DAV: 17 -0.846419317817E+03 0.72869E-03 -0.71783E-03 3327 0.227E-01 0.315E-01
DAV: 18 -0.846419682229E+03 -0.36441E-03 -0.37912E-03 3111 0.170E-01 0.131E-01
DAV: 19 -0.846423238139E+03 -0.35559E-02 -0.43838E-03 3030 0.157E-01 0.182E-01
DAV: 20 -0.846425706724E+03 -0.24686E-02 -0.16351E-03 3183 0.119E-01 0.139E-01
DAV: 21 -0.846428302233E+03 -0.25955E-02 -0.19377E-03 3120 0.839E-02 0.942E-02
DAV: 22 -0.846429642174E+03 -0.13399E-02 -0.38038E-04 3192 0.499E-02 0.698E-02
DAV: 23 -0.846430494941E+03 -0.85277E-03 -0.24488E-04 3093 0.327E-02 0.409E-02
DAV: 24 -0.846431167961E+03 -0.67302E-03 -0.90536E-05 3003 0.220E-02 0.220E-02
DAV: 25 -0.846431706022E+03 -0.53806E-03 -0.29215E-05 2256 0.135E-02 0.136E-02
DAV: 26 -0.846432056024E+03 -0.35000E-03 -0.18605E-05 2157 0.133E-02 0.114E-02
DAV: 27 -0.846432217184E+03 -0.16116E-03 -0.11752E-05 1968 0.101E-02 0.731E-03
DAV: 28 -0.846432267910E+03 -0.50726E-04 -0.57005E-06 1995 0.693E-03 0.769E-03
DAV: 29 -0.846432281661E+03 -0.13751E-04 -0.26423E-06 1986 0.342E-03 0.500E-03
DAV: 30 -0.846432292434E+03 -0.10774E-04 -0.12426E-06 1986 0.228E-03 0.331E-03
DAV: 31 -0.846432301987E+03 -0.95525E-05 -0.16919E-06 1950 0.290E-03
1 F= -.84643230E+03 E0= -.84648026E+03 d E =0.143878E+00