iterations/neb0_image04_iter69_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 0.144798520392E+04 0.14480E+04 -0.44190E+04 330 0.697E+02
DAV: 2 0.225167823777E+03 -0.12228E+04 -0.11483E+04 435 0.163E+02
DAV: 3 -0.362063278086E+03 -0.58723E+03 -0.58398E+03 345 0.114E+02
DAV: 4 -0.433108884012E+03 -0.71046E+02 -0.70793E+02 309 0.509E+01
DAV: 5 -0.434707611298E+03 -0.15987E+01 -0.15960E+01 327 0.786E+00 0.425E+01
DAV: 6 -0.388940383597E+03 0.45767E+02 -0.14741E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385501071460E+03 0.34393E+01 -0.13616E+01 336 0.782E+00 0.104E+01
DAV: 8 -0.384033356764E+03 0.14677E+01 -0.19854E+00 336 0.386E+00 0.433E+00
DAV: 9 -0.383502382009E+03 0.53097E+00 -0.16689E+00 327 0.244E+00 0.141E+00
DAV: 10 -0.383431498263E+03 0.70884E-01 -0.31395E-01 336 0.118E+00 0.113E+00
DAV: 11 -0.383404279426E+03 0.27219E-01 -0.30158E-01 345 0.707E-01 0.947E-01
DAV: 12 -0.383391992224E+03 0.12287E-01 -0.36849E-01 345 0.790E-01 0.651E-01
DAV: 13 -0.383369814611E+03 0.22178E-01 -0.31856E-02 345 0.505E-01 0.690E-01
DAV: 14 -0.383360349973E+03 0.94646E-02 -0.75994E-02 363 0.427E-01 0.523E-01
DAV: 15 -0.383356238093E+03 0.41119E-02 -0.92829E-02 345 0.497E-01 0.545E-01
DAV: 16 -0.383353694815E+03 0.25433E-02 -0.24256E-02 309 0.320E-01 0.378E-01
DAV: 17 -0.383357480672E+03 -0.37859E-02 -0.15317E-02 318 0.299E-01 0.200E-01
DAV: 18 -0.383367003048E+03 -0.95224E-02 -0.41389E-03 300 0.188E-01 0.105E-01
DAV: 19 -0.383378913160E+03 -0.11910E-01 -0.28325E-03 300 0.164E-01 0.154E-01
DAV: 20 -0.383386140167E+03 -0.72270E-02 -0.15487E-03 318 0.109E-01 0.831E-02
DAV: 21 -0.383392231802E+03 -0.60916E-02 -0.61921E-04 327 0.591E-02 0.359E-02
DAV: 22 -0.383396381679E+03 -0.41499E-02 -0.19943E-04 354 0.329E-02 0.228E-02
DAV: 23 -0.383399646171E+03 -0.32645E-02 -0.17180E-04 318 0.298E-02 0.386E-02
DAV: 24 -0.383401636458E+03 -0.19903E-02 -0.68825E-05 300 0.221E-02 0.203E-02
DAV: 25 -0.383403240877E+03 -0.16044E-02 -0.12624E-04 309 0.239E-02 0.333E-02
DAV: 26 -0.383403632867E+03 -0.39199E-03 -0.18054E-05 255 0.146E-02 0.735E-03
DAV: 27 -0.383403965536E+03 -0.33267E-03 -0.23361E-05 273 0.104E-02 0.164E-02
DAV: 28 -0.383404133679E+03 -0.16814E-03 -0.46183E-06 237 0.746E-03 0.325E-03
DAV: 29 -0.383404282881E+03 -0.14920E-03 -0.75424E-06 210 0.567E-03 0.403E-03
DAV: 30 -0.383404371510E+03 -0.88629E-04 -0.24182E-06 219 0.351E-03 0.305E-03
DAV: 31 -0.383404410587E+03 -0.39077E-04 -0.18393E-06 219 0.340E-03 0.209E-03
DAV: 32 -0.383404431246E+03 -0.20659E-04 -0.98585E-07 210 0.238E-03 0.257E-03
DAV: 33 -0.383404438645E+03 -0.73987E-05 -0.34185E-07 228 0.148E-03
1 F= -.38340444E+03 E0= -.38341743E+03 d E =0.389600E-01