iterations/neb0_image07_iter68_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 0.146037303774E+04 0.14604E+04 -0.44316E+04 330 0.697E+02
DAV: 2 0.229334911169E+03 -0.12310E+04 -0.11537E+04 426 0.164E+02
DAV: 3 -0.366051072642E+03 -0.59539E+03 -0.59195E+03 354 0.115E+02
DAV: 4 -0.433872667727E+03 -0.67822E+02 -0.67570E+02 309 0.497E+01
DAV: 5 -0.435377918609E+03 -0.15053E+01 -0.15026E+01 327 0.763E+00 0.434E+01
DAV: 6 -0.387956570285E+03 0.47421E+02 -0.15205E+02 309 0.290E+01 0.213E+01
DAV: 7 -0.384275831479E+03 0.36807E+01 -0.13743E+01 336 0.803E+00 0.106E+01
DAV: 8 -0.382818258769E+03 0.14576E+01 -0.25850E+00 336 0.401E+00 0.444E+00
DAV: 9 -0.382212304606E+03 0.60595E+00 -0.67897E-01 336 0.213E+00 0.988E-01
DAV: 10 -0.382157951606E+03 0.54353E-01 -0.21682E-01 336 0.102E+00 0.100E+00
DAV: 11 -0.382141871756E+03 0.16080E-01 -0.13928E-01 354 0.473E-01 0.656E-01
DAV: 12 -0.382112310108E+03 0.29562E-01 -0.22151E-02 327 0.384E-01 0.418E-01
DAV: 13 -0.382092900084E+03 0.19410E-01 -0.20168E-02 318 0.458E-01 0.244E-01
DAV: 14 -0.382096113639E+03 -0.32136E-02 -0.10198E-02 345 0.336E-01 0.212E-01
DAV: 15 -0.382100843808E+03 -0.47302E-02 -0.34566E-03 309 0.247E-01 0.121E-01
DAV: 16 -0.382111437744E+03 -0.10594E-01 -0.53096E-03 291 0.227E-01 0.921E-02
DAV: 17 -0.382120744479E+03 -0.93067E-02 -0.27880E-03 318 0.161E-01 0.728E-02
DAV: 18 -0.382128489831E+03 -0.77454E-02 -0.81660E-04 309 0.767E-02 0.469E-02
DAV: 19 -0.382136910089E+03 -0.84203E-02 -0.45525E-04 327 0.469E-02 0.256E-02
DAV: 20 -0.382142423349E+03 -0.55133E-02 -0.30200E-04 309 0.364E-02 0.230E-02
DAV: 21 -0.382145163635E+03 -0.27403E-02 -0.19748E-04 327 0.310E-02 0.124E-02
DAV: 22 -0.382146412835E+03 -0.12492E-02 -0.38094E-05 291 0.134E-02 0.101E-02
DAV: 23 -0.382147570363E+03 -0.11575E-02 -0.52826E-05 291 0.168E-02 0.553E-03
DAV: 24 -0.382148130638E+03 -0.56028E-03 -0.22227E-05 246 0.970E-03 0.354E-03
DAV: 25 -0.382148357668E+03 -0.22703E-03 -0.71309E-06 228 0.633E-03 0.313E-03
DAV: 26 -0.382148497472E+03 -0.13980E-03 -0.52848E-06 192 0.484E-03 0.223E-03
DAV: 27 -0.382148577880E+03 -0.80408E-04 -0.28078E-06 219 0.414E-03 0.121E-03
DAV: 28 -0.382148615293E+03 -0.37413E-04 -0.23198E-06 210 0.344E-03 0.117E-03
DAV: 29 -0.382148623195E+03 -0.79018E-05 -0.60282E-07 237 0.193E-03
1 F= -.38214862E+03 E0= -.38216091E+03 d E =0.368509E-01