iterations/neb0_image05_iter13_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 0.145049270320E+04 0.14505E+04 -0.44211E+04 330 0.697E+02
DAV: 2 0.232700359636E+03 -0.12178E+04 -0.11430E+04 417 0.163E+02
DAV: 3 -0.364818489066E+03 -0.59752E+03 -0.59423E+03 354 0.114E+02
DAV: 4 -0.433288976779E+03 -0.68470E+02 -0.68227E+02 318 0.495E+01
DAV: 5 -0.434787015525E+03 -0.14980E+01 -0.14955E+01 318 0.762E+00 0.426E+01
DAV: 6 -0.388934672534E+03 0.45852E+02 -0.14804E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385500756597E+03 0.34339E+01 -0.13416E+01 345 0.781E+00 0.104E+01
DAV: 8 -0.384043561391E+03 0.14572E+01 -0.22860E+00 336 0.388E+00 0.435E+00
DAV: 9 -0.383503288035E+03 0.54027E+00 -0.13773E+00 327 0.235E+00 0.141E+00
DAV: 10 -0.383435986039E+03 0.67302E-01 -0.48597E-01 327 0.126E+00 0.130E+00
DAV: 11 -0.383406486411E+03 0.29500E-01 -0.31712E-01 354 0.775E-01 0.960E-01
DAV: 12 -0.383400470574E+03 0.60158E-02 -0.67148E-02 345 0.739E-01 0.104E+00
DAV: 13 -0.383365923095E+03 0.34547E-01 -0.30066E-02 345 0.559E-01 0.576E-01
DAV: 14 -0.383356216213E+03 0.97069E-02 -0.20410E-02 309 0.386E-01 0.307E-01
DAV: 15 -0.383351607488E+03 0.46087E-02 -0.19012E-02 309 0.392E-01 0.263E-01
DAV: 16 -0.383355174538E+03 -0.35671E-02 -0.11717E-02 336 0.282E-01 0.294E-01
DAV: 17 -0.383358909287E+03 -0.37347E-02 -0.22272E-03 291 0.180E-01 0.121E-01
DAV: 18 -0.383370764762E+03 -0.11855E-01 -0.30844E-03 291 0.171E-01 0.106E-01
DAV: 19 -0.383379638347E+03 -0.88736E-02 -0.18172E-03 327 0.126E-01 0.838E-02
DAV: 20 -0.383386529102E+03 -0.68908E-02 -0.87492E-04 327 0.897E-02 0.559E-02
DAV: 21 -0.383392600366E+03 -0.60713E-02 -0.35964E-04 318 0.576E-02 0.408E-02
DAV: 22 -0.383395603246E+03 -0.30029E-02 -0.12143E-04 327 0.361E-02 0.354E-02
DAV: 23 -0.383399432469E+03 -0.38292E-02 -0.20299E-04 300 0.275E-02 0.197E-02
DAV: 24 -0.383402766707E+03 -0.33342E-02 -0.21535E-04 300 0.259E-02 0.966E-03
DAV: 25 -0.383403766092E+03 -0.99939E-03 -0.53859E-05 327 0.149E-02 0.123E-02
DAV: 26 -0.383404434338E+03 -0.66825E-03 -0.21933E-05 237 0.100E-02 0.111E-02
DAV: 27 -0.383404747150E+03 -0.31281E-03 -0.16626E-05 246 0.871E-03 0.509E-03
DAV: 28 -0.383404835892E+03 -0.88742E-04 -0.29707E-06 237 0.441E-03 0.302E-03
DAV: 29 -0.383404918130E+03 -0.82237E-04 -0.28119E-06 201 0.402E-03 0.200E-03
DAV: 30 -0.383404981286E+03 -0.63157E-04 -0.19322E-06 228 0.294E-03 0.213E-03
DAV: 31 -0.383405012456E+03 -0.31169E-04 -0.10266E-06 210 0.212E-03 0.282E-03
DAV: 32 -0.383405027730E+03 -0.15274E-04 -0.86190E-07 228 0.221E-03 0.125E-03
DAV: 33 -0.383405031448E+03 -0.37185E-05 -0.27355E-07 237 0.121E-03
1 F= -.38340503E+03 E0= -.38342172E+03 d E =0.500609E-01