iterations/neb0_image09_iter36_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 0.137595206661E+04 0.13760E+04 -0.43604E+04 330 0.696E+02
DAV: 2 0.221974632975E+03 -0.11540E+04 -0.10862E+04 417 0.160E+02
DAV: 3 -0.308943379899E+03 -0.53092E+03 -0.52260E+03 354 0.110E+02
DAV: 4 -0.380974683505E+03 -0.72031E+02 -0.70541E+02 309 0.477E+01
DAV: 5 -0.383145036809E+03 -0.21704E+01 -0.21516E+01 318 0.835E+00 0.411E+01
DAV: 6 -0.354772747371E+03 0.28372E+02 -0.23213E+02 309 0.302E+01 0.313E+01
DAV: 7 -0.352082515178E+03 0.26902E+01 -0.14095E+02 336 0.146E+01 0.252E+01
DAV: 8 -0.343023123268E+03 0.90594E+01 -0.39469E+01 327 0.115E+01 0.193E+01
DAV: 9 -0.341076556681E+03 0.19466E+01 -0.63593E+01 336 0.804E+00 0.169E+01
DAV: 10 -0.339488905740E+03 0.15877E+01 -0.52623E+00 345 0.544E+00 0.142E+01
DAV: 11 -0.338088955665E+03 0.14000E+01 -0.20110E+01 318 0.300E+00 0.888E+00
DAV: 12 -0.337690547011E+03 0.39841E+00 -0.21840E+00 354 0.184E+00 0.640E+00
DAV: 13 -0.337495421955E+03 0.19513E+00 -0.75318E-01 354 0.104E+00 0.507E+00
DAV: 14 -0.337398490186E+03 0.96932E-01 -0.20213E-01 336 0.518E-01 0.432E+00
DAV: 15 -0.337534928526E+03 -0.13644E+00 -0.79907E-01 327 0.951E-01 0.897E+00
DAV: 16 -0.337312124093E+03 0.22280E+00 -0.39814E+00 381 0.136E+00 0.401E+00
DAV: 17 -0.337300286321E+03 0.11838E-01 -0.65750E-01 318 0.777E-01 0.466E+00
DAV: 18 -0.337238872502E+03 0.61414E-01 -0.46646E-01 336 0.401E-01 0.199E+00
DAV: 19 -0.337235721141E+03 0.31514E-02 -0.16542E-02 318 0.222E-01 0.179E+00
DAV: 20 -0.337234214203E+03 0.15069E-02 -0.10909E-01 318 0.438E-01 0.135E+00
DAV: 21 -0.337230653338E+03 0.35609E-02 -0.48208E-02 327 0.316E-01 0.106E+00
DAV: 22 -0.337228590775E+03 0.20626E-02 -0.27001E-02 372 0.248E-01 0.877E-01
DAV: 23 -0.337235137475E+03 -0.65467E-02 -0.55650E-03 291 0.237E-01 0.618E-01
DAV: 24 -0.337241987283E+03 -0.68498E-02 -0.10210E-02 327 0.231E-01 0.218E-01
DAV: 25 -0.337249956945E+03 -0.79697E-02 -0.29699E-03 327 0.160E-01 0.164E-01
DAV: 26 -0.337255140213E+03 -0.51833E-02 -0.98602E-04 291 0.877E-02 0.154E-01
DAV: 27 -0.337260713409E+03 -0.55732E-02 -0.10744E-03 327 0.622E-02 0.142E-01
DAV: 28 -0.337265413636E+03 -0.47002E-02 -0.18772E-03 300 0.442E-02 0.248E-01
DAV: 29 -0.337268374211E+03 -0.29606E-02 -0.10848E-03 318 0.331E-02 0.849E-02
DAV: 30 -0.337270767706E+03 -0.23935E-02 -0.27217E-04 300 0.223E-02 0.153E-01
DAV: 31 -0.337272578807E+03 -0.18111E-02 -0.24901E-04 309 0.193E-02 0.419E-02
DAV: 32 -0.337273607967E+03 -0.10292E-02 -0.88002E-05 300 0.145E-02 0.263E-02
DAV: 33 -0.337274267625E+03 -0.65966E-03 -0.24552E-05 228 0.101E-02 0.360E-02
DAV: 34 -0.337274709972E+03 -0.44235E-03 -0.46952E-05 255 0.867E-03 0.194E-02
DAV: 35 -0.337274867119E+03 -0.15715E-03 -0.48948E-06 219 0.561E-03 0.838E-03
DAV: 36 -0.337274994798E+03 -0.12768E-03 -0.61133E-06 219 0.437E-03 0.272E-03
DAV: 37 -0.337275024681E+03 -0.29882E-04 -0.15439E-06 210 0.260E-03 0.735E-03
DAV: 38 -0.337275076062E+03 -0.51382E-04 -0.22214E-06 201 0.256E-03 0.258E-03
DAV: 39 -0.337275098524E+03 -0.22462E-04 -0.88023E-07 201 0.160E-03 0.865E-04
DAV: 40 -0.337275110407E+03 -0.11883E-04 -0.54758E-07 210 0.124E-03 0.326E-03
DAV: 41 -0.337275117688E+03 -0.72807E-05 -0.41602E-07 201 0.995E-04
1 F= -.33727512E+03 E0= -.33726811E+03 d E =-.210205E-01