iterations/neb0_image06_iter44_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 0.144583399479E+04 0.14458E+04 -0.44221E+04 330 0.697E+02
DAV: 2 0.230534961098E+03 -0.12153E+04 -0.11395E+04 417 0.163E+02
DAV: 3 -0.364219050224E+03 -0.59475E+03 -0.59140E+03 354 0.114E+02
DAV: 4 -0.432182190250E+03 -0.67963E+02 -0.67716E+02 309 0.492E+01
DAV: 5 -0.433715863985E+03 -0.15337E+01 -0.15306E+01 327 0.767E+00 0.426E+01
DAV: 6 -0.388119272071E+03 0.45597E+02 -0.14820E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.384667864744E+03 0.34514E+01 -0.12500E+01 345 0.776E+00 0.104E+01
DAV: 8 -0.383225701332E+03 0.14422E+01 -0.21833E+00 336 0.381E+00 0.420E+00
DAV: 9 -0.382658755709E+03 0.56695E+00 -0.58221E-01 327 0.195E+00 0.985E-01
DAV: 10 -0.382610771076E+03 0.47985E-01 -0.38479E-01 327 0.112E+00 0.956E-01
DAV: 11 -0.382583395386E+03 0.27376E-01 -0.52001E-02 327 0.535E-01 0.565E-01
DAV: 12 -0.382554875134E+03 0.28520E-01 -0.35211E-02 309 0.446E-01 0.345E-01
DAV: 13 -0.382538688302E+03 0.16187E-01 -0.23233E-02 372 0.483E-01 0.256E-01
DAV: 14 -0.382538277039E+03 0.41126E-03 -0.10478E-02 309 0.317E-01 0.201E-01
DAV: 15 -0.382545638718E+03 -0.73617E-02 -0.86873E-03 318 0.230E-01 0.198E-01
DAV: 16 -0.382552761680E+03 -0.71230E-02 -0.97245E-03 318 0.246E-01 0.195E-01
DAV: 17 -0.382558442849E+03 -0.56812E-02 -0.19667E-03 318 0.126E-01 0.864E-02
DAV: 18 -0.382567162303E+03 -0.87195E-02 -0.15713E-03 282 0.108E-01 0.847E-02
DAV: 19 -0.382576769101E+03 -0.96068E-02 -0.11176E-03 318 0.879E-02 0.693E-02
DAV: 20 -0.382580263032E+03 -0.34939E-02 -0.33913E-04 327 0.517E-02 0.405E-02
DAV: 21 -0.382584703634E+03 -0.44406E-02 -0.27311E-04 309 0.386E-02 0.216E-02
DAV: 22 -0.382587799489E+03 -0.30959E-02 -0.11315E-04 318 0.207E-02 0.134E-02
DAV: 23 -0.382590266665E+03 -0.24672E-02 -0.13579E-04 282 0.208E-02 0.839E-03
DAV: 24 -0.382591030524E+03 -0.76386E-03 -0.34109E-05 264 0.109E-02 0.987E-03
DAV: 25 -0.382591429996E+03 -0.39947E-03 -0.14490E-05 210 0.916E-03 0.296E-03
DAV: 26 -0.382591676225E+03 -0.24623E-03 -0.13908E-05 228 0.702E-03 0.460E-03
DAV: 27 -0.382591726165E+03 -0.49941E-04 -0.19612E-06 237 0.386E-03 0.270E-03
DAV: 28 -0.382591826559E+03 -0.10039E-03 -0.46959E-06 192 0.477E-03 0.200E-03
DAV: 29 -0.382591840963E+03 -0.14405E-04 -0.89948E-07 237 0.267E-03 0.121E-03
DAV: 30 -0.382591860726E+03 -0.19762E-04 -0.71621E-07 192 0.196E-03 0.804E-04
DAV: 31 -0.382591882621E+03 -0.21896E-04 -0.49113E-07 210 0.135E-03 0.461E-04
DAV: 32 -0.382591896886E+03 -0.14264E-04 -0.48620E-07 219 0.119E-03 0.416E-04
DAV: 33 -0.382591901174E+03 -0.42882E-05 -0.16756E-07 228 0.824E-04
1 F= -.38259190E+03 E0= -.38260526E+03 d E =0.400825E-01