iterations/neb0_image01_iter56_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 0.144783492401E+04 0.14478E+04 -0.44193E+04 330 0.697E+02
DAV: 2 0.227744797626E+03 -0.12201E+04 -0.11430E+04 426 0.163E+02
DAV: 3 -0.362986412305E+03 -0.59073E+03 -0.58734E+03 345 0.114E+02
DAV: 4 -0.433524493458E+03 -0.70538E+02 -0.70272E+02 318 0.511E+01
DAV: 5 -0.435106928500E+03 -0.15824E+01 -0.15801E+01 318 0.782E+00 0.426E+01
DAV: 6 -0.389086994005E+03 0.46020E+02 -0.14825E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385622876666E+03 0.34641E+01 -0.13518E+01 345 0.783E+00 0.104E+01
DAV: 8 -0.384154275591E+03 0.14686E+01 -0.22877E+00 336 0.386E+00 0.436E+00
DAV: 9 -0.383603626641E+03 0.55065E+00 -0.16238E+00 327 0.240E+00 0.126E+00
DAV: 10 -0.383524890454E+03 0.78736E-01 -0.15205E-01 318 0.108E+00 0.105E+00
DAV: 11 -0.383507275179E+03 0.17615E-01 -0.48924E-01 327 0.964E-01 0.756E-01
DAV: 12 -0.383482523150E+03 0.24752E-01 -0.39585E-02 318 0.488E-01 0.734E-01
DAV: 13 -0.383466255351E+03 0.16268E-01 -0.89307E-02 363 0.514E-01 0.553E-01
DAV: 14 -0.383461134182E+03 0.51212E-02 -0.10235E-01 363 0.471E-01 0.801E-01
DAV: 15 -0.383452539331E+03 0.85949E-02 -0.11488E-01 372 0.367E-01 0.399E-01
DAV: 16 -0.383453194341E+03 -0.65501E-03 -0.76791E-03 300 0.263E-01 0.162E-01
DAV: 17 -0.383460357427E+03 -0.71631E-02 -0.10643E-02 300 0.188E-01 0.260E-01
DAV: 18 -0.383463892791E+03 -0.35354E-02 -0.40494E-03 318 0.130E-01 0.217E-01
DAV: 19 -0.383473802551E+03 -0.99098E-02 -0.47917E-03 291 0.163E-01 0.136E-01
DAV: 20 -0.383479456904E+03 -0.56544E-02 -0.10763E-03 327 0.952E-02 0.652E-02
DAV: 21 -0.383490331465E+03 -0.10875E-01 -0.10078E-03 318 0.917E-02 0.675E-02
DAV: 22 -0.383493836683E+03 -0.35052E-02 -0.40460E-04 327 0.518E-02 0.328E-02
DAV: 23 -0.383496646577E+03 -0.28099E-02 -0.13209E-04 327 0.271E-02 0.227E-02
DAV: 24 -0.383499798347E+03 -0.31518E-02 -0.12189E-04 300 0.232E-02 0.380E-02
DAV: 25 -0.383502299894E+03 -0.25015E-02 -0.16092E-04 309 0.234E-02 0.155E-02
DAV: 26 -0.383503789177E+03 -0.14893E-02 -0.10648E-04 300 0.193E-02 0.241E-02
DAV: 27 -0.383504134290E+03 -0.34511E-03 -0.14758E-05 264 0.817E-03 0.147E-02
DAV: 28 -0.383504465430E+03 -0.33114E-03 -0.12312E-05 210 0.743E-03 0.563E-03
DAV: 29 -0.383504665922E+03 -0.20049E-03 -0.13362E-05 246 0.780E-03 0.655E-03
DAV: 30 -0.383504721510E+03 -0.55588E-04 -0.24802E-06 237 0.394E-03 0.325E-03
DAV: 31 -0.383504810226E+03 -0.88716E-04 -0.27577E-06 201 0.311E-03 0.320E-03
DAV: 32 -0.383504842973E+03 -0.32747E-04 -0.13728E-06 228 0.237E-03 0.198E-03
DAV: 33 -0.383504866695E+03 -0.23722E-04 -0.85118E-07 192 0.197E-03 0.169E-03
DAV: 34 -0.383504877455E+03 -0.10760E-04 -0.49604E-07 228 0.148E-03 0.104E-03
DAV: 35 -0.383504881260E+03 -0.38051E-05 -0.18276E-07 228 0.105E-03
1 F= -.38350488E+03 E0= -.38352134E+03 d E =0.493830E-01