./iterations/neb0_image01_iter52_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 0.423162947573E+04 0.42316E+04 -0.23864E+05 2892 0.117E+03
DAV: 2 -0.430679244297E+03 -0.46623E+04 -0.45593E+04 3360 0.329E+02
DAV: 3 -0.943483962294E+03 -0.51280E+03 -0.51059E+03 3120 0.117E+02
DAV: 4 -0.955695655717E+03 -0.12212E+02 -0.12166E+02 3183 0.195E+01
DAV: 5 -0.956096858804E+03 -0.40120E+00 -0.40065E+00 3192 0.320E+00 0.812E+01
DAV: 6 -0.848041631009E+03 0.10806E+03 -0.47100E+02 3066 0.347E+01 0.376E+01
DAV: 7 -0.847576316670E+03 0.46531E+00 -0.14372E+01 3543 0.606E+00 0.146E+01
DAV: 8 -0.847240082678E+03 0.33623E+00 -0.95380E-01 3147 0.236E+00 0.593E+00
DAV: 9 -0.847195156996E+03 0.44926E-01 -0.41086E-01 3192 0.151E+00 0.858E-01
DAV: 10 -0.847201785529E+03 -0.66285E-02 -0.70665E-02 3138 0.596E-01 0.588E-01
DAV: 11 -0.847201652825E+03 0.13270E-03 -0.64467E-03 3120 0.207E-01 0.332E-01
DAV: 12 -0.847203175025E+03 -0.15222E-02 -0.70774E-03 3048 0.244E-01 0.117E-01
DAV: 13 -0.847206572289E+03 -0.33973E-02 -0.43040E-03 3192 0.208E-01 0.134E-01
DAV: 14 -0.847210520953E+03 -0.39487E-02 -0.27950E-03 3138 0.138E-01 0.940E-02
DAV: 15 -0.847215425807E+03 -0.49049E-02 -0.12349E-03 3048 0.878E-02 0.364E-02
DAV: 16 -0.847217606414E+03 -0.21806E-02 -0.40498E-04 3147 0.478E-02 0.366E-02
DAV: 17 -0.847218655632E+03 -0.10492E-02 -0.19265E-04 3084 0.334E-02 0.248E-02
DAV: 18 -0.847219381007E+03 -0.72537E-03 -0.26831E-05 2337 0.183E-02 0.134E-02
DAV: 19 -0.847219935015E+03 -0.55401E-03 -0.40796E-05 2697 0.212E-02 0.726E-03
DAV: 20 -0.847220027901E+03 -0.92886E-04 -0.32440E-05 2706 0.144E-02 0.686E-03
DAV: 21 -0.847220061134E+03 -0.33234E-04 -0.32966E-06 2004 0.427E-03 0.591E-03
DAV: 22 -0.847220081383E+03 -0.20249E-04 -0.20902E-06 1995 0.343E-03 0.270E-03
DAV: 23 -0.847220089789E+03 -0.84059E-05 -0.16183E-06 1977 0.310E-03
1 F= -.84722009E+03 E0= -.84722396E+03 d E =0.115958E-01