iterations/neb0_image05_iter45_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 0.144850108885E+04 0.14485E+04 -0.44220E+04 330 0.697E+02
DAV: 2 0.231113263858E+03 -0.12174E+04 -0.11402E+04 417 0.163E+02
DAV: 3 -0.361529390595E+03 -0.59264E+03 -0.58944E+03 345 0.114E+02
DAV: 4 -0.432996123374E+03 -0.71467E+02 -0.71220E+02 309 0.514E+01
DAV: 5 -0.434650851746E+03 -0.16547E+01 -0.16518E+01 327 0.797E+00 0.426E+01
DAV: 6 -0.388788328095E+03 0.45863E+02 -0.14736E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385329452849E+03 0.34589E+01 -0.13343E+01 345 0.782E+00 0.104E+01
DAV: 8 -0.383877298352E+03 0.14522E+01 -0.22042E+00 327 0.383E+00 0.432E+00
DAV: 9 -0.383322235523E+03 0.55506E+00 -0.12755E+00 345 0.229E+00 0.122E+00
DAV: 10 -0.383270093933E+03 0.52142E-01 -0.43470E-01 336 0.110E+00 0.912E-01
DAV: 11 -0.383229386641E+03 0.40707E-01 -0.50031E-02 327 0.556E-01 0.706E-01
DAV: 12 -0.383215595338E+03 0.13791E-01 -0.79848E-02 363 0.737E-01 0.101E+00
DAV: 13 -0.383190119512E+03 0.25476E-01 -0.10846E-01 327 0.508E-01 0.640E-01
DAV: 14 -0.383186280323E+03 0.38392E-02 -0.14811E-02 318 0.270E-01 0.410E-01
DAV: 15 -0.383182361993E+03 0.39183E-02 -0.12828E-02 300 0.343E-01 0.221E-01
DAV: 16 -0.383186601861E+03 -0.42399E-02 -0.15202E-02 336 0.281E-01 0.270E-01
DAV: 17 -0.383190797383E+03 -0.41955E-02 -0.63015E-03 291 0.187E-01 0.177E-01
DAV: 18 -0.383198866971E+03 -0.80696E-02 -0.21856E-03 309 0.146E-01 0.118E-01
DAV: 19 -0.383210403192E+03 -0.11536E-01 -0.22962E-03 300 0.136E-01 0.107E-01
DAV: 20 -0.383218793545E+03 -0.83904E-02 -0.12873E-03 318 0.113E-01 0.419E-02
DAV: 21 -0.383224882963E+03 -0.60894E-02 -0.46895E-04 327 0.612E-02 0.368E-02
DAV: 22 -0.383227109723E+03 -0.22268E-02 -0.62490E-05 309 0.202E-02 0.296E-02
DAV: 23 -0.383232649687E+03 -0.55400E-02 -0.46416E-04 291 0.436E-02 0.244E-02
DAV: 24 -0.383233631969E+03 -0.98228E-03 -0.46923E-05 309 0.156E-02 0.161E-02
DAV: 25 -0.383234465444E+03 -0.83347E-03 -0.45805E-05 282 0.157E-02 0.947E-03
DAV: 26 -0.383234926557E+03 -0.46111E-03 -0.12702E-05 237 0.864E-03 0.537E-03
DAV: 27 -0.383235384293E+03 -0.45774E-03 -0.18362E-05 228 0.730E-03 0.659E-03
DAV: 28 -0.383235506626E+03 -0.12233E-03 -0.37105E-06 228 0.641E-03 0.310E-03
DAV: 29 -0.383235591134E+03 -0.84508E-04 -0.44040E-06 201 0.526E-03 0.275E-03
DAV: 30 -0.383235620692E+03 -0.29558E-04 -0.10778E-06 228 0.296E-03 0.189E-03
DAV: 31 -0.383235662030E+03 -0.41338E-04 -0.35314E-06 192 0.557E-03 0.319E-03
DAV: 32 -0.383235683081E+03 -0.21051E-04 -0.10545E-06 219 0.351E-03 0.177E-03
DAV: 33 -0.383235688541E+03 -0.54604E-05 -0.84905E-07 237 0.225E-03
1 F= -.38323569E+03 E0= -.38325228E+03 d E =0.497850E-01