iterations/neb0_image08_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 0.145350804564E+04 0.14535E+04 -0.44262E+04 330 0.697E+02
DAV: 2 0.230697942154E+03 -0.12228E+04 -0.11475E+04 426 0.163E+02
DAV: 3 -0.360281246526E+03 -0.59098E+03 -0.58756E+03 345 0.114E+02
DAV: 4 -0.432705970901E+03 -0.72425E+02 -0.72132E+02 318 0.513E+01
DAV: 5 -0.434346353004E+03 -0.16404E+01 -0.16376E+01 318 0.797E+00 0.427E+01
DAV: 6 -0.388497212180E+03 0.45849E+02 -0.14712E+02 309 0.286E+01 0.209E+01
DAV: 7 -0.385027823869E+03 0.34694E+01 -0.13334E+01 345 0.788E+00 0.104E+01
DAV: 8 -0.383603998864E+03 0.14238E+01 -0.28488E+00 336 0.400E+00 0.438E+00
DAV: 9 -0.383060234766E+03 0.54376E+00 -0.12213E+00 327 0.234E+00 0.125E+00
DAV: 10 -0.382967083633E+03 0.93151E-01 -0.16107E-01 327 0.116E+00 0.855E-01
DAV: 11 -0.382948207238E+03 0.18876E-01 -0.16305E-01 345 0.815E-01 0.751E-01
DAV: 12 -0.382925076961E+03 0.23130E-01 -0.21488E-02 354 0.470E-01 0.440E-01
DAV: 13 -0.382908338086E+03 0.16739E-01 -0.24854E-02 318 0.441E-01 0.379E-01
DAV: 14 -0.382904388112E+03 0.39500E-02 -0.16518E-02 345 0.389E-01 0.432E-01
DAV: 15 -0.382904589167E+03 -0.20105E-03 -0.33105E-02 345 0.287E-01 0.267E-01
DAV: 16 -0.382910845858E+03 -0.62567E-02 -0.63768E-03 300 0.234E-01 0.278E-01
DAV: 17 -0.382917398636E+03 -0.65528E-02 -0.87938E-03 318 0.196E-01 0.165E-01
DAV: 18 -0.382925537453E+03 -0.81388E-02 -0.28551E-03 291 0.157E-01 0.857E-02
DAV: 19 -0.382933576973E+03 -0.80395E-02 -0.16497E-03 318 0.113E-01 0.460E-02
DAV: 20 -0.382939540821E+03 -0.59638E-02 -0.51500E-04 318 0.691E-02 0.333E-02
DAV: 21 -0.382946953208E+03 -0.74124E-02 -0.43930E-04 309 0.452E-02 0.327E-02
DAV: 22 -0.382950162760E+03 -0.32096E-02 -0.18785E-04 336 0.270E-02 0.183E-02
DAV: 23 -0.382953760179E+03 -0.35974E-02 -0.26561E-04 282 0.282E-02 0.135E-02
DAV: 24 -0.382954621040E+03 -0.86086E-03 -0.34756E-05 264 0.121E-02 0.963E-03
DAV: 25 -0.382955149611E+03 -0.52857E-03 -0.23085E-05 228 0.970E-03 0.483E-03
DAV: 26 -0.382955522697E+03 -0.37309E-03 -0.95610E-06 219 0.638E-03 0.473E-03
DAV: 27 -0.382955741377E+03 -0.21868E-03 -0.89502E-06 219 0.497E-03 0.275E-03
DAV: 28 -0.382955834933E+03 -0.93556E-04 -0.28495E-06 228 0.374E-03 0.125E-03
DAV: 29 -0.382955905216E+03 -0.70283E-04 -0.27194E-06 192 0.328E-03 0.169E-03
DAV: 30 -0.382955926196E+03 -0.20980E-04 -0.99491E-07 219 0.210E-03 0.108E-03
DAV: 31 -0.382955937265E+03 -0.11069E-04 -0.58720E-07 219 0.151E-03 0.504E-04
DAV: 32 -0.382955944747E+03 -0.74826E-05 -0.27510E-07 219 0.103E-03
1 F= -.38295594E+03 E0= -.38297291E+03 d E =0.508923E-01