iterations/neb0_image03_iter72_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 0.145517024975E+04 0.14552E+04 -0.44211E+04 330 0.697E+02
DAV: 2 0.227827005629E+03 -0.12273E+04 -0.11524E+04 435 0.163E+02
DAV: 3 -0.360996386778E+03 -0.58882E+03 -0.58497E+03 345 0.114E+02
DAV: 4 -0.432679001746E+03 -0.71683E+02 -0.71428E+02 309 0.513E+01
DAV: 5 -0.434287365295E+03 -0.16084E+01 -0.16056E+01 327 0.792E+00 0.429E+01
DAV: 6 -0.387427025448E+03 0.46860E+02 -0.14959E+02 309 0.289E+01 0.210E+01
DAV: 7 -0.383936575528E+03 0.34904E+01 -0.13794E+01 336 0.798E+00 0.105E+01
DAV: 8 -0.382485549029E+03 0.14510E+01 -0.22675E+00 345 0.387E+00 0.441E+00
DAV: 9 -0.381905611541E+03 0.57994E+00 -0.11158E+00 336 0.226E+00 0.132E+00
DAV: 10 -0.381851313569E+03 0.54298E-01 -0.50547E-01 336 0.114E+00 0.952E-01
DAV: 11 -0.381816363714E+03 0.34950E-01 -0.11198E-01 327 0.630E-01 0.712E-01
DAV: 12 -0.381797096781E+03 0.19267E-01 -0.74838E-02 345 0.509E-01 0.610E-01
DAV: 13 -0.381785099718E+03 0.11997E-01 -0.15183E-01 318 0.524E-01 0.885E-01
DAV: 14 -0.381775008698E+03 0.10091E-01 -0.16563E-01 345 0.450E-01 0.588E-01
DAV: 15 -0.381774801055E+03 0.20764E-03 -0.16441E-02 336 0.366E-01 0.364E-01
DAV: 16 -0.381777298370E+03 -0.24973E-02 -0.68035E-03 309 0.234E-01 0.278E-01
DAV: 17 -0.381785724324E+03 -0.84260E-02 -0.52409E-03 300 0.220E-01 0.113E-01
DAV: 18 -0.381796619464E+03 -0.10895E-01 -0.22484E-03 300 0.161E-01 0.671E-02
DAV: 19 -0.381807376231E+03 -0.10757E-01 -0.19726E-03 318 0.115E-01 0.129E-01
DAV: 20 -0.381812796865E+03 -0.54206E-02 -0.11793E-03 327 0.770E-02 0.472E-02
DAV: 21 -0.381819656821E+03 -0.68600E-02 -0.54149E-04 300 0.505E-02 0.268E-02
DAV: 22 -0.381822618259E+03 -0.29614E-02 -0.14332E-04 327 0.256E-02 0.224E-02
DAV: 23 -0.381824893534E+03 -0.22753E-02 -0.12276E-04 300 0.242E-02 0.200E-02
DAV: 24 -0.381826436616E+03 -0.15431E-02 -0.73216E-05 300 0.169E-02 0.121E-02
DAV: 25 -0.381827256165E+03 -0.81955E-03 -0.38041E-05 273 0.137E-02 0.909E-03
DAV: 26 -0.381827479213E+03 -0.22305E-03 -0.62565E-06 237 0.662E-03 0.630E-03
DAV: 27 -0.381827693009E+03 -0.21380E-03 -0.65871E-06 201 0.568E-03 0.279E-03
DAV: 28 -0.381827824693E+03 -0.13168E-03 -0.45711E-06 219 0.460E-03 0.208E-03
DAV: 29 -0.381827854900E+03 -0.30206E-04 -0.16029E-06 237 0.369E-03 0.340E-03
DAV: 30 -0.381827903317E+03 -0.48418E-04 -0.18791E-06 201 0.326E-03 0.192E-03
DAV: 31 -0.381827913335E+03 -0.10017E-04 -0.62040E-07 228 0.203E-03 0.112E-03
DAV: 32 -0.381827930312E+03 -0.16978E-04 -0.62106E-07 201 0.169E-03 0.805E-04
DAV: 33 -0.381827938491E+03 -0.81781E-05 -0.26861E-07 219 0.135E-03
1 F= -.38182794E+03 E0= -.38184108E+03 d E =0.394290E-01