./iterations/neb0_image05_iter48_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 0.422830415516E+04 0.42283E+04 -0.23876E+05 2901 0.117E+03
DAV: 2 -0.428207870019E+03 -0.46565E+04 -0.45610E+04 3360 0.329E+02
DAV: 3 -0.942202145021E+03 -0.51399E+03 -0.51173E+03 3120 0.117E+02
DAV: 4 -0.954512701630E+03 -0.12311E+02 -0.12264E+02 3174 0.196E+01
DAV: 5 -0.954917771555E+03 -0.40507E+00 -0.40452E+00 3183 0.321E+00 0.811E+01
DAV: 6 -0.846884419036E+03 0.10803E+03 -0.46983E+02 3057 0.347E+01 0.375E+01
DAV: 7 -0.846385936445E+03 0.49848E+00 -0.14580E+01 3543 0.611E+00 0.146E+01
DAV: 8 -0.846005177473E+03 0.38076E+00 -0.98461E-01 3165 0.240E+00 0.596E+00
DAV: 9 -0.845907319326E+03 0.97858E-01 -0.44130E-01 3183 0.164E+00 0.989E-01
DAV: 10 -0.845899874597E+03 0.74447E-02 -0.90033E-02 3345 0.827E-01 0.800E-01
DAV: 11 -0.845889016578E+03 0.10858E-01 -0.20581E-02 3417 0.456E-01 0.911E-01
DAV: 12 -0.845878995004E+03 0.10022E-01 -0.11754E-02 3264 0.276E-01 0.509E-01
DAV: 13 -0.845869262368E+03 0.97326E-02 -0.33214E-03 3507 0.337E-01 0.537E-01
DAV: 14 -0.845872175205E+03 -0.29128E-02 -0.26319E-03 3093 0.139E-01 0.516E-01
DAV: 15 -0.845874358116E+03 -0.21829E-02 -0.14824E-03 3930 0.164E-01 0.487E-01
DAV: 16 -0.845879313481E+03 -0.49554E-02 -0.51109E-03 4443 0.814E-01 0.439E-01
DAV: 17 -0.845902070877E+03 -0.22757E-01 -0.23822E-02 4218 0.134E+00 0.738E-01
DAV: 18 -0.845908188371E+03 -0.61175E-02 -0.46985E-02 3093 0.387E-01 0.944E-01
DAV: 19 -0.845908416725E+03 -0.22835E-03 -0.12419E-03 3165 0.746E-02 0.983E-01
DAV: 20 -0.845924053595E+03 -0.15637E-01 -0.43862E-03 4560 0.448E-01 0.115E+00
DAV: 21 -0.845947028262E+03 -0.22975E-01 -0.22628E-02 3246 0.456E-01 0.148E+00
DAV: 22 -0.845946326394E+03 0.70187E-03 -0.47961E-03 3030 0.129E-01 0.153E+00
DAV: 23 -0.845942667432E+03 0.36590E-02 -0.25396E-04 3147 0.506E-02 0.149E+00
DAV: 24 -0.845971032128E+03 -0.28365E-01 -0.13130E-02 3309 0.322E-01 0.178E+00
DAV: 25 -0.845962012389E+03 0.90197E-02 -0.21129E-03 3147 0.148E-01 0.177E+00
DAV: 26 -0.845958184586E+03 0.38278E-02 -0.16899E-03 4155 0.311E-01 0.185E+00
DAV: 27 -0.846000672711E+03 -0.42488E-01 -0.78979E-02 3030 0.598E-01 0.308E+00
DAV: 28 -0.846041379576E+03 -0.40707E-01 -0.21573E-02 3210 0.365E-01 0.349E+00
DAV: 29 -0.846032252893E+03 0.91267E-02 -0.25865E-03 3066 0.112E-01 0.344E+00
DAV: 30 -0.846048246247E+03 -0.15993E-01 -0.18712E-03 3291 0.117E-01 0.363E+00
DAV: 31 -0.845986251101E+03 0.61995E-01 -0.31656E-02 3579 0.528E-01 0.285E+00
DAV: 32 -0.845978909680E+03 0.73414E-02 -0.94955E-03 3093 0.252E-01 0.258E+00
DAV: 33 -0.845938959091E+03 0.39951E-01 -0.23801E-02 4065 0.630E-01 0.210E+00
DAV: 34 -0.845921599512E+03 0.17360E-01 -0.10124E-02 3804 0.727E-01 0.204E+00
DAV: 35 -0.845894184441E+03 0.27415E-01 -0.69703E-02 3120 0.902E-01 0.148E+00
DAV: 36 -0.845891789543E+03 0.23949E-02 -0.29561E-02 3084 0.328E-01 0.104E+00
DAV: 37 -0.845882725780E+03 0.90638E-02 -0.13375E-02 3426 0.378E-01 0.721E-01
DAV: 38 -0.845880505218E+03 0.22206E-02 -0.10924E-02 3156 0.286E-01 0.543E-01
DAV: 39 -0.845880792630E+03 -0.28741E-03 -0.12917E-03 3039 0.779E-02 0.506E-01
DAV: 40 -0.845881123371E+03 -0.33074E-03 -0.63944E-05 3048 0.238E-02 0.503E-01
DAV: 41 -0.845881135769E+03 -0.12398E-04 -0.15450E-03 3381 0.149E-01 0.411E-01
DAV: 42 -0.845883663026E+03 -0.25273E-02 -0.58123E-03 3120 0.193E-01 0.366E-01
DAV: 43 -0.845886338803E+03 -0.26758E-02 -0.44702E-03 4281 0.502E-01 0.331E-01
DAV: 44 -0.845893357377E+03 -0.70186E-02 -0.23297E-02 3840 0.571E-01 0.559E-01
DAV: 45 -0.845893599560E+03 -0.24218E-03 -0.64081E-03 3138 0.164E-01 0.569E-01
DAV: 46 -0.845893368464E+03 0.23110E-03 -0.81921E-04 3192 0.656E-02 0.514E-01
DAV: 47 -0.845893339846E+03 0.28618E-04 -0.10015E-04 3093 0.181E-02 0.526E-01
DAV: 48 -0.845893425478E+03 -0.85632E-04 -0.94742E-06 2652 0.167E-02 0.540E-01
DAV: 49 -0.845893428095E+03 -0.26170E-05 -0.11822E-05 2067 0.602E-03
1 F= -.84589343E+03 E0= -.84591654E+03 d E =0.693484E-01