./iterations/neb0_image02_iter57_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 0.423378591039E+04 0.42338E+04 -0.23866E+05 2892 0.117E+03
DAV: 2 -0.430462048704E+03 -0.46642E+04 -0.45629E+04 3366 0.329E+02
DAV: 3 -0.943364647408E+03 -0.51290E+03 -0.51070E+03 3120 0.117E+02
DAV: 4 -0.955560868371E+03 -0.12196E+02 -0.12151E+02 3183 0.195E+01
DAV: 5 -0.955961609304E+03 -0.40074E+00 -0.40021E+00 3201 0.320E+00 0.812E+01
DAV: 6 -0.847933161390E+03 0.10803E+03 -0.47061E+02 3066 0.347E+01 0.376E+01
DAV: 7 -0.847468169979E+03 0.46499E+00 -0.14414E+01 3543 0.608E+00 0.146E+01
DAV: 8 -0.847132789794E+03 0.33538E+00 -0.95941E-01 3165 0.237E+00 0.592E+00
DAV: 9 -0.847085957598E+03 0.46832E-01 -0.40884E-01 3192 0.151E+00 0.855E-01
DAV: 10 -0.847092922667E+03 -0.69651E-02 -0.72770E-02 3102 0.606E-01 0.593E-01
DAV: 11 -0.847092996038E+03 -0.73371E-04 -0.66716E-03 3120 0.208E-01 0.337E-01
DAV: 12 -0.847094561512E+03 -0.15655E-02 -0.69956E-03 3048 0.240E-01 0.118E-01
DAV: 13 -0.847098142984E+03 -0.35815E-02 -0.44100E-03 3219 0.210E-01 0.135E-01
DAV: 14 -0.847102404129E+03 -0.42611E-02 -0.29386E-03 3111 0.142E-01 0.934E-02
DAV: 15 -0.847107194058E+03 -0.47899E-02 -0.11608E-03 3138 0.842E-02 0.343E-02
DAV: 16 -0.847109565212E+03 -0.23712E-02 -0.41631E-04 3102 0.476E-02 0.365E-02
DAV: 17 -0.847110654435E+03 -0.10892E-02 -0.20234E-04 3093 0.350E-02 0.248E-02
DAV: 18 -0.847111367496E+03 -0.71306E-03 -0.30062E-05 2472 0.194E-02 0.131E-02
DAV: 19 -0.847111914213E+03 -0.54672E-03 -0.38145E-05 2697 0.210E-02 0.688E-03
DAV: 20 -0.847112020064E+03 -0.10585E-03 -0.29984E-05 2607 0.142E-02 0.643E-03
DAV: 21 -0.847112056072E+03 -0.36008E-04 -0.34666E-06 1995 0.439E-03 0.570E-03
DAV: 22 -0.847112075575E+03 -0.19503E-04 -0.20070E-06 1995 0.330E-03 0.263E-03
DAV: 23 -0.847112084019E+03 -0.84444E-05 -0.15999E-06 1986 0.313E-03
1 F= -.84711208E+03 E0= -.84711595E+03 d E =0.115958E-01