iterations/neb0_image01_iter22_OSZICAR.out output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.161677225070E+04 0.16168E+04 -0.42275E+04 306 0.697E+02
DAV: 2 0.296212724197E+03 -0.13206E+04 -0.12434E+04 420 0.168E+02
DAV: 3 -0.358075997683E+03 -0.65429E+03 -0.65073E+03 364 0.123E+02
DAV: 4 -0.433526093505E+03 -0.75450E+02 -0.75147E+02 308 0.519E+01
DAV: 5 -0.435237134841E+03 -0.17110E+01 -0.17082E+01 332 0.797E+00 0.427E+01
DAV: 6 -0.389150111230E+03 0.46087E+02 -0.15047E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385621072231E+03 0.35290E+01 -0.12390E+01 340 0.767E+00 0.104E+01
DAV: 8 -0.384167740649E+03 0.14533E+01 -0.25065E+00 332 0.383E+00 0.431E+00
DAV: 9 -0.383587376312E+03 0.58036E+00 -0.62920E-01 324 0.195E+00 0.973E-01
DAV: 10 -0.383527969166E+03 0.59407E-01 -0.14565E-01 340 0.963E-01 0.758E-01
DAV: 11 -0.383516738839E+03 0.11230E-01 -0.12134E-01 348 0.465E-01 0.889E-01
DAV: 12 -0.383499819298E+03 0.16920E-01 -0.17446E-01 316 0.368E-01 0.592E-01
DAV: 13 -0.383490486640E+03 0.93327E-02 -0.99676E-02 316 0.416E-01 0.669E-01
DAV: 14 -0.383485055431E+03 0.54312E-02 -0.47487E-02 340 0.248E-01 0.214E-01
DAV: 15 -0.383488055784E+03 -0.30004E-02 -0.10097E-02 308 0.279E-01 0.190E-01
DAV: 16 -0.383498275449E+03 -0.10220E-01 -0.84804E-03 324 0.246E-01 0.151E-01
DAV: 17 -0.383509634103E+03 -0.11359E-01 -0.29017E-03 300 0.172E-01 0.946E-02
DAV: 18 -0.383519278439E+03 -0.96443E-02 -0.20641E-03 316 0.105E-01 0.753E-02
DAV: 19 -0.383525310157E+03 -0.60317E-02 -0.12945E-03 316 0.742E-02 0.659E-02
DAV: 20 -0.383531484933E+03 -0.61748E-02 -0.43062E-04 308 0.443E-02 0.410E-02
DAV: 21 -0.383538337368E+03 -0.68524E-02 -0.59164E-04 316 0.427E-02 0.237E-02
DAV: 22 -0.383540454970E+03 -0.21176E-02 -0.77669E-05 316 0.206E-02 0.200E-02
DAV: 23 -0.383543339635E+03 -0.28847E-02 -0.15479E-04 292 0.234E-02 0.110E-02
DAV: 24 -0.383544699196E+03 -0.13596E-02 -0.61332E-05 300 0.140E-02 0.922E-03
DAV: 25 -0.383545290478E+03 -0.59128E-03 -0.23787E-05 244 0.102E-02 0.436E-03
DAV: 26 -0.383545746557E+03 -0.45608E-03 -0.25188E-05 252 0.904E-03 0.474E-03
DAV: 27 -0.383545810990E+03 -0.64434E-04 -0.18946E-06 244 0.370E-03 0.318E-03
DAV: 28 -0.383545904580E+03 -0.93590E-04 -0.40581E-06 204 0.475E-03 0.177E-03
DAV: 29 -0.383545946515E+03 -0.41935E-04 -0.10636E-06 228 0.237E-03 0.142E-03
DAV: 30 -0.383545986450E+03 -0.39935E-04 -0.10293E-06 204 0.206E-03 0.808E-04
DAV: 31 -0.383546012465E+03 -0.26015E-04 -0.99722E-07 220 0.173E-03 0.728E-04
DAV: 32 -0.383546019046E+03 -0.65813E-05 -0.25130E-07 228 0.117E-03
1 F= -.38354602E+03 E0= -.38356324E+03 d E =0.516552E-01