iterations/neb0_image01_iter17_OSZICAR.out output for 745: 733-->741: H2O near HO-Si on SiO2 surface --> H-OSi + OH-Si on SiO2 surface (TSS)
Status: runningN E dE d eps ncg rms rms(c) DAV: 1 0.422924947526E+04 0.42292E+04 -0.23861E+05 2892 0.117E+03 DAV: 2 -0.430898041820E+03 -0.46601E+04 -0.45568E+04 3360 0.329E+02 DAV: 3 -0.943338030036E+03 -0.51244E+03 -0.51024E+03 3120 0.117E+02 DAV: 4 -0.955546851159E+03 -0.12209E+02 -0.12163E+02 3183 0.195E+01 DAV: 5 -0.955948828646E+03 -0.40198E+00 -0.40144E+00 3201 0.320E+00 0.812E+01 DAV: 6 -0.847917194401E+03 0.10803E+03 -0.47127E+02 3057 0.347E+01 0.376E+01 DAV: 7 -0.847457534268E+03 0.45966E+00 -0.14363E+01 3561 0.606E+00 0.146E+01 DAV: 8 -0.847121809024E+03 0.33573E+00 -0.96627E-01 3165 0.238E+00 0.592E+00 DAV: 9 -0.847076877262E+03 0.44932E-01 -0.41243E-01 3192 0.151E+00 0.857E-01 DAV: 10 -0.847083508793E+03 -0.66315E-02 -0.69764E-02 3147 0.594E-01 0.591E-01 DAV: 11 -0.847083377906E+03 0.13089E-03 -0.64550E-03 3120 0.210E-01 0.329E-01 DAV: 12 -0.847084725293E+03 -0.13474E-02 -0.68497E-03 3048 0.245E-01 0.115E-01 DAV: 13 -0.847088011819E+03 -0.32865E-02 -0.43471E-03 3201 0.211E-01 0.133E-01 DAV: 14 -0.847091893486E+03 -0.38817E-02 -0.27645E-03 3120 0.136E-01 0.924E-02 DAV: 15 -0.847096822257E+03 -0.49288E-02 -0.13039E-03 3075 0.903E-02 0.386E-02 DAV: 16 -0.847098872332E+03 -0.20501E-02 -0.38635E-04 3129 0.479E-02 0.369E-02 DAV: 17 -0.847099866257E+03 -0.99392E-03 -0.20089E-04 3111 0.332E-02 0.255E-02 DAV: 18 -0.847100595002E+03 -0.72875E-03 -0.26635E-05 2310 0.185E-02 0.136E-02 DAV: 19 -0.847101149938E+03 -0.55494E-03 -0.42299E-05 2706 0.216E-02 0.730E-03 DAV: 20 -0.847101242803E+03 -0.92865E-04 -0.33495E-05 2706 0.147E-02 0.708E-03 DAV: 21 -0.847101273790E+03 -0.30988E-04 -0.34193E-06 2004 0.423E-03 0.607E-03 DAV: 22 -0.847101293606E+03 -0.19815E-04 -0.20208E-06 1986 0.325E-03 0.288E-03 DAV: 23 -0.847101303884E+03 -0.10278E-04 -0.16695E-06 1977 0.323E-03 0.118E-03 DAV: 24 -0.847101306918E+03 -0.30342E-05 -0.65789E-07 1986 0.183E-03 1 F= -.84710131E+03 E0= -.84710517E+03 d E =0.115958E-01