./iterations/neb0_image09_iter8_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 0.423371102151E+04 0.42337E+04 -0.23859E+05 2892 0.117E+03
DAV: 2 -0.426512529664E+03 -0.46602E+04 -0.45596E+04 3357 0.329E+02
DAV: 3 -0.942492632616E+03 -0.51598E+03 -0.51373E+03 3120 0.118E+02
DAV: 4 -0.954870620969E+03 -0.12378E+02 -0.12332E+02 3183 0.196E+01
DAV: 5 -0.955278674331E+03 -0.40805E+00 -0.40752E+00 3201 0.323E+00 0.811E+01
DAV: 6 -0.847328191123E+03 0.10795E+03 -0.47062E+02 3048 0.347E+01 0.376E+01
DAV: 7 -0.846830875875E+03 0.49732E+00 -0.14344E+01 3534 0.616E+00 0.146E+01
DAV: 8 -0.846480991653E+03 0.34988E+00 -0.13358E+00 3435 0.322E+00 0.624E+00
DAV: 9 -0.846390169176E+03 0.90822E-01 -0.64991E-01 3255 0.209E+00 0.129E+00
DAV: 10 -0.846373992034E+03 0.16177E-01 -0.16939E-01 3291 0.106E+00 0.117E+00
DAV: 11 -0.846357611106E+03 0.16381E-01 -0.32255E-02 3471 0.601E-01 0.916E-01
DAV: 12 -0.846334023131E+03 0.23588E-01 -0.11907E-02 3840 0.609E-01 0.602E-01
DAV: 13 -0.846337069053E+03 -0.30459E-02 -0.88178E-02 4218 0.778E-01 0.108E+00
DAV: 14 -0.846320570581E+03 0.16498E-01 -0.77256E-02 3435 0.458E-01 0.396E-01
DAV: 15 -0.846327141444E+03 -0.65709E-02 -0.67281E-02 3228 0.618E-01 0.848E-01
DAV: 16 -0.846315725918E+03 0.11416E-01 -0.39489E-02 3444 0.359E-01 0.333E-01
DAV: 17 -0.846316529879E+03 -0.80396E-03 -0.75200E-03 3165 0.178E-01 0.226E-01
DAV: 18 -0.846317281365E+03 -0.75149E-03 -0.33266E-03 3012 0.116E-01 0.124E-01
DAV: 19 -0.846320243924E+03 -0.29626E-02 -0.17603E-03 3030 0.122E-01 0.838E-02
DAV: 20 -0.846323428395E+03 -0.31845E-02 -0.13987E-03 3165 0.105E-01 0.761E-02
DAV: 21 -0.846325867810E+03 -0.24394E-02 -0.62576E-04 3111 0.664E-02 0.578E-02
DAV: 22 -0.846327580095E+03 -0.17123E-02 -0.74489E-04 3327 0.673E-02 0.110E-01
DAV: 23 -0.846328438888E+03 -0.85879E-03 -0.10305E-03 3336 0.791E-02 0.425E-02
DAV: 24 -0.846328891640E+03 -0.45275E-03 -0.19509E-04 3093 0.300E-02 0.286E-02
DAV: 25 -0.846329347697E+03 -0.45606E-03 -0.15852E-04 2895 0.343E-02 0.394E-02
DAV: 26 -0.846329632043E+03 -0.28435E-03 -0.10133E-04 2895 0.270E-02 0.133E-02
DAV: 27 -0.846329850403E+03 -0.21836E-03 -0.22845E-05 2121 0.146E-02 0.956E-03
DAV: 28 -0.846329890614E+03 -0.40211E-04 -0.14845E-05 1995 0.911E-03 0.609E-03
DAV: 29 -0.846329907405E+03 -0.16792E-04 -0.57700E-06 1977 0.574E-03 0.508E-03
DAV: 30 -0.846329928028E+03 -0.20623E-04 -0.23890E-06 1968 0.347E-03 0.321E-03
DAV: 31 -0.846329934767E+03 -0.67389E-05 -0.13269E-06 1995 0.255E-03
1 F= -.84632993E+03 E0= -.84637968E+03 d E =0.149250E+00