iterations/neb0_image08_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 0.144305731587E+04 0.14431E+04 -0.44175E+04 330 0.697E+02
DAV: 2 0.231316791168E+03 -0.12117E+04 -0.11355E+04 417 0.163E+02
DAV: 3 -0.356411939375E+03 -0.58773E+03 -0.58401E+03 354 0.114E+02
DAV: 4 -0.427481854419E+03 -0.71070E+02 -0.70740E+02 309 0.508E+01
DAV: 5 -0.429142275487E+03 -0.16604E+01 -0.16565E+01 345 0.791E+00 0.423E+01
DAV: 6 -0.383822381416E+03 0.45320E+02 -0.14754E+02 309 0.288E+01 0.207E+01
DAV: 7 -0.380509692127E+03 0.33127E+01 -0.11752E+01 336 0.765E+00 0.104E+01
DAV: 8 -0.379081147405E+03 0.14285E+01 -0.24581E+00 336 0.391E+00 0.416E+00
DAV: 9 -0.378539825117E+03 0.54132E+00 -0.59096E-01 336 0.188E+00 0.933E-01
DAV: 10 -0.378476298371E+03 0.63527E-01 -0.94093E-02 354 0.835E-01 0.729E-01
DAV: 11 -0.378445917122E+03 0.30381E-01 -0.66918E-02 372 0.657E-01 0.699E-01
DAV: 12 -0.378427961271E+03 0.17956E-01 -0.16773E-02 327 0.383E-01 0.360E-01
DAV: 13 -0.378424161443E+03 0.37998E-02 -0.48363E-02 327 0.368E-01 0.545E-01
DAV: 14 -0.378419080117E+03 0.50813E-02 -0.24468E-02 327 0.260E-01 0.177E-01
DAV: 15 -0.378422792292E+03 -0.37122E-02 -0.55467E-03 300 0.235E-01 0.211E-01
DAV: 16 -0.378428680479E+03 -0.58882E-02 -0.42761E-03 345 0.170E-01 0.142E-01
DAV: 17 -0.378439805293E+03 -0.11125E-01 -0.29441E-03 282 0.182E-01 0.123E-01
DAV: 18 -0.378447493412E+03 -0.76881E-02 -0.27501E-03 327 0.148E-01 0.618E-02
DAV: 19 -0.378453599598E+03 -0.61062E-02 -0.64080E-04 318 0.720E-02 0.557E-02
DAV: 20 -0.378459149053E+03 -0.55495E-02 -0.36551E-04 345 0.499E-02 0.295E-02
DAV: 21 -0.378464651164E+03 -0.55021E-02 -0.26146E-04 309 0.347E-02 0.210E-02
DAV: 22 -0.378467478167E+03 -0.28270E-02 -0.11473E-04 318 0.213E-02 0.140E-02
DAV: 23 -0.378469893177E+03 -0.24150E-02 -0.11355E-04 282 0.206E-02 0.865E-03
DAV: 24 -0.378470833213E+03 -0.94004E-03 -0.27064E-05 264 0.110E-02 0.523E-03
DAV: 25 -0.378471672171E+03 -0.83896E-03 -0.46474E-05 273 0.134E-02 0.493E-03
DAV: 26 -0.378471823645E+03 -0.15147E-03 -0.32246E-06 228 0.664E-03 0.318E-03
DAV: 27 -0.378471985613E+03 -0.16197E-03 -0.99991E-06 210 0.797E-03 0.408E-03
DAV: 28 -0.378472047396E+03 -0.61784E-04 -0.20071E-06 228 0.503E-03 0.228E-03
DAV: 29 -0.378472100423E+03 -0.53027E-04 -0.58379E-06 201 0.711E-03 0.298E-03
DAV: 30 -0.378472132015E+03 -0.31591E-04 -0.16018E-06 210 0.337E-03 0.214E-03
DAV: 31 -0.378472140017E+03 -0.80021E-05 -0.89225E-07 228 0.246E-03
1 F= -.37847214E+03 E0= -.37849020E+03 d E =0.541936E-01