iterations/neb0_image08_iter40_OSZICAR.out output for 3: !!! 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
terminated
N E dE d eps ncg rms rms(c)
DAV: 1 0.136810660000E+04 0.13681E+04 -0.41559E+04 312 0.696E+02
DAV: 2 0.273250109663E+03 -0.10949E+04 -0.10412E+04 417 0.156E+02
DAV: 3 -0.241808409298E+03 -0.51506E+03 -0.48851E+03 381 0.106E+02
DAV: 4 -0.315225590440E+03 -0.73417E+02 -0.67899E+02 336 0.412E+01
DAV: 5 -0.317921394690E+03 -0.26958E+01 -0.26342E+01 327 0.766E+00 0.445E+01
DAV: 6 -0.353976736817E+03 -0.36055E+02 -0.31384E+02 318 0.347E+01 0.596E+01
DAV: 7 -0.289991993823E+03 0.63985E+02 -0.11514E+02 324 0.145E+01 0.303E+01
DAV: 8 -0.278045105033E+03 0.11947E+02 -0.60552E+01 300 0.909E+00 0.303E+01
DAV: 9 -0.274048123100E+03 0.39970E+01 -0.42502E+01 318 0.865E+00 0.319E+01
DAV: 10 -0.269208063791E+03 0.48401E+01 -0.19217E+01 300 0.551E+00 0.185E+01
DAV: 11 -0.270312738662E+03 -0.11047E+01 -0.39285E+01 300 0.359E+00 0.252E+01
DAV: 12 -0.266551882364E+03 0.37609E+01 -0.48072E+01 300 0.293E+00 0.227E+01
DAV: 13 -0.268930473217E+03 -0.23786E+01 -0.19408E+01 327 0.300E+00 0.307E+01
DAV: 14 -0.265821891718E+03 0.31086E+01 -0.11975E+01 354 0.293E+00 0.294E+01
DAV: 15 -0.263929091575E+03 0.18928E+01 -0.63393E+00 282 0.127E+00 0.181E+01
DAV: 16 -0.262944250832E+03 0.98484E+00 -0.49685E+00 336 0.182E+00 0.210E+01
DAV: 17 -0.263309206078E+03 -0.36496E+00 -0.12185E+01 291 0.117E+00 0.184E+01
DAV: 18 -0.262600291958E+03 0.70891E+00 -0.31748E+00 309 0.964E-01 0.111E+01
DAV: 19 -0.262389302005E+03 0.21099E+00 -0.14427E+00 309 0.552E-01 0.124E+01
DAV: 20 -0.262313112094E+03 0.76190E-01 -0.12763E+00 345 0.638E-01 0.135E+01
DAV: 21 -0.262181963317E+03 0.13115E+00 -0.14052E+00 318 0.582E-01 0.742E+00
DAV: 22 -0.262260020158E+03 -0.78057E-01 -0.69989E-01 291 0.464E-01 0.831E+00
DAV: 23 -0.262124108214E+03 0.13591E+00 -0.56882E-01 327 0.306E-01 0.531E+00
DAV: 24 -0.262250694706E+03 -0.12659E+00 -0.79957E-01 300 0.411E-01 0.926E+00
DAV: 25 -0.262115656291E+03 0.13504E+00 -0.67984E-01 291 0.345E-01 0.467E+00
DAV: 26 -0.262116974166E+03 -0.13179E-02 -0.27454E-01 309 0.288E-01 0.277E+00
DAV: 27 -0.262185116656E+03 -0.68142E-01 -0.36320E-01 336 0.213E-01 0.810E+00
DAV: 28 -0.262122703137E+03 0.62414E-01 -0.45882E-02 282 0.161E-01 0.583E+00
DAV: 29 -0.262099369421E+03 0.23334E-01 -0.15966E-01 381 0.168E-01 0.293E+00
DAV: 30 -0.262140199966E+03 -0.40831E-01 -0.11677E-01 273 0.178E-01 0.399E+00
DAV: 31 -0.262156374347E+03 -0.16174E-01 -0.41389E-01 345 0.143E-01 0.595E+00
DAV: 32 -0.262130262549E+03 0.26112E-01 -0.74752E-02 264 0.158E-01 0.281E+00
DAV: 33 -0.262148324259E+03 -0.18062E-01 -0.42050E-02 309 0.902E-02 0.317E+00
DAV: 34 -0.262164579594E+03 -0.16255E-01 -0.27724E-01 318 0.119E-01 0.458E+00
DAV: 35 -0.262151890277E+03 0.12689E-01 -0.16184E-01 291 0.112E-01 0.161E+00
DAV: 36 -0.262159937550E+03 -0.80473E-02 -0.17720E-02 300 0.872E-02 0.112E+00
DAV: 37 -0.262162720527E+03 -0.27830E-02 -0.44472E-03 300 0.583E-02 0.517E-01
DAV: 38 -0.262168327562E+03 -0.56070E-02 -0.28095E-03 300 0.488E-02 0.713E-01
DAV: 39 -0.262171944076E+03 -0.36165E-02 -0.16455E-03 309 0.407E-02 0.500E-01
DAV: 40 -0.262175424811E+03 -0.34807E-02 -0.55366E-03 300 0.288E-02 0.801E-01
DAV: 41 -0.262176768973E+03 -0.13442E-02 -0.39173E-03 300 0.289E-02 0.303E-01
DAV: 42 -0.262178085296E+03 -0.13163E-02 -0.66510E-04 264 0.217E-02 0.202E-01
DAV: 43 -0.262178876528E+03 -0.79123E-03 -0.37151E-04 246 0.153E-02 0.122E-01
DAV: 44 -0.262179442025E+03 -0.56550E-03 -0.34048E-05 237 0.933E-03 0.931E-02
DAV: 45 -0.262179862181E+03 -0.42016E-03 -0.26627E-04 237 0.640E-03 0.179E-01
DAV: 46 -0.262180014039E+03 -0.15186E-03 -0.28694E-04 219 0.663E-03 0.111E-01
DAV: 47 -0.262180136050E+03 -0.12201E-03 -0.19337E-05 210 0.637E-03 0.146E-02
DAV: 48 -0.262180217521E+03 -0.81471E-04 -0.41850E-06 192 0.284E-03 0.265E-02
DAV: 49 -0.262180306284E+03 -0.88763E-04 -0.72352E-06 210 0.259E-03 0.113E-02
DAV: 50 -0.262180354483E+03 -0.48198E-04 -0.22948E-06 183 0.213E-03 0.133E-02
DAV: 51 -0.262180374054E+03 -0.19571E-04 -0.18433E-06 183 0.137E-03 0.920E-03
DAV: 52 -0.262180389514E+03 -0.15460E-04 -0.11332E-06 183 0.143E-03 0.378E-03
DAV: 53 -0.262180398892E+03 -0.93779E-05 -0.83543E-07 183 0.996E-04
1 F= -.26218040E+03 E0= -.26198593E+03 d E =-.583418E+00