iterations/neb0_image09_iter60_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 0.140036704928E+04 0.14004E+04 -0.43804E+04 330 0.697E+02
DAV: 2 0.218189281140E+03 -0.11822E+04 -0.11066E+04 417 0.161E+02
DAV: 3 -0.339345009508E+03 -0.55753E+03 -0.55180E+03 354 0.112E+02
DAV: 4 -0.412808001764E+03 -0.73463E+02 -0.72911E+02 309 0.497E+01
DAV: 5 -0.414814087431E+03 -0.20061E+01 -0.20009E+01 345 0.816E+00 0.402E+01
DAV: 6 -0.374662473709E+03 0.40152E+02 -0.16576E+02 309 0.286E+01 0.213E+01
DAV: 7 -0.372118621855E+03 0.25439E+01 -0.42528E+01 363 0.939E+00 0.126E+01
DAV: 8 -0.370124744853E+03 0.19939E+01 -0.17211E+01 435 0.579E+00 0.809E+00
DAV: 9 -0.369075851610E+03 0.10489E+01 -0.54009E+00 318 0.304E+00 0.256E+00
DAV: 10 -0.368861024068E+03 0.21483E+00 -0.82644E-01 327 0.152E+00 0.959E-01
DAV: 11 -0.368825287773E+03 0.35736E-01 -0.71837E-02 345 0.550E-01 0.634E-01
DAV: 12 -0.368802083139E+03 0.23205E-01 -0.18774E-02 318 0.381E-01 0.290E-01
DAV: 13 -0.368795740848E+03 0.63423E-02 -0.15107E-02 327 0.327E-01 0.183E-01
DAV: 14 -0.368805875076E+03 -0.10134E-01 -0.12456E-02 336 0.306E-01 0.160E-01
DAV: 15 -0.368817022428E+03 -0.11147E-01 -0.85939E-03 318 0.183E-01 0.127E-01
DAV: 16 -0.368826809480E+03 -0.97871E-02 -0.61712E-03 309 0.154E-01 0.757E-02
DAV: 17 -0.368832065443E+03 -0.52560E-02 -0.20998E-03 318 0.979E-02 0.463E-02
DAV: 18 -0.368840227762E+03 -0.81623E-02 -0.76071E-04 300 0.585E-02 0.274E-02
DAV: 19 -0.368845522784E+03 -0.52950E-02 -0.29423E-04 318 0.360E-02 0.156E-02
DAV: 20 -0.368848426892E+03 -0.29041E-02 -0.19817E-04 318 0.269E-02 0.149E-02
DAV: 21 -0.368849835798E+03 -0.14089E-02 -0.69151E-05 300 0.150E-02 0.792E-03
DAV: 22 -0.368850825007E+03 -0.98921E-03 -0.56312E-05 291 0.145E-02 0.693E-03
DAV: 23 -0.368851248519E+03 -0.42351E-03 -0.19495E-05 237 0.866E-03 0.410E-03
DAV: 24 -0.368851467700E+03 -0.21918E-03 -0.10108E-05 228 0.679E-03 0.294E-03
DAV: 25 -0.368851547584E+03 -0.79884E-04 -0.37152E-06 237 0.551E-03 0.200E-03
DAV: 26 -0.368851629645E+03 -0.82061E-04 -0.41607E-06 210 0.509E-03 0.241E-03
DAV: 27 -0.368851651864E+03 -0.22219E-04 -0.12829E-06 228 0.285E-03 0.147E-03
DAV: 28 -0.368851670681E+03 -0.18817E-04 -0.13709E-06 210 0.275E-03 0.113E-03
DAV: 29 -0.368851685418E+03 -0.14738E-04 -0.65133E-07 219 0.245E-03 0.456E-04
DAV: 30 -0.368851695896E+03 -0.10478E-04 -0.53094E-07 219 0.153E-03 0.803E-04
DAV: 31 -0.368851699201E+03 -0.33050E-05 -0.14873E-07 228 0.957E-04
1 F= -.36885170E+03 E0= -.36885556E+03 d E =0.115958E-01