iterations/neb0_image08_iter23_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 0.150765424840E+04 0.15077E+04 -0.43547E+04 322 0.697E+02
DAV: 2 0.251831659120E+03 -0.12558E+04 -0.11788E+04 420 0.164E+02
DAV: 3 -0.357745270804E+03 -0.60958E+03 -0.60483E+03 356 0.117E+02
DAV: 4 -0.432756344312E+03 -0.75011E+02 -0.74670E+02 316 0.516E+01
DAV: 5 -0.434481890241E+03 -0.17255E+01 -0.17225E+01 332 0.796E+00 0.426E+01
DAV: 6 -0.388626510880E+03 0.45855E+02 -0.14941E+02 316 0.286E+01 0.208E+01
DAV: 7 -0.385121794529E+03 0.35047E+01 -0.12282E+01 332 0.770E+00 0.104E+01
DAV: 8 -0.383709180856E+03 0.14126E+01 -0.24185E+00 332 0.388E+00 0.426E+00
DAV: 9 -0.383151517883E+03 0.55766E+00 -0.59547E-01 324 0.192E+00 0.103E+00
DAV: 10 -0.383114220920E+03 0.37297E-01 -0.41698E-01 340 0.111E+00 0.117E+00
DAV: 11 -0.383089022734E+03 0.25198E-01 -0.19046E-01 316 0.542E-01 0.766E-01
DAV: 12 -0.383081265339E+03 0.77574E-02 -0.69358E-02 340 0.359E-01 0.559E-01
DAV: 13 -0.383065369495E+03 0.15896E-01 -0.74475E-02 308 0.443E-01 0.457E-01
DAV: 14 -0.383058925203E+03 0.64443E-02 -0.31280E-02 308 0.329E-01 0.198E-01
DAV: 15 -0.383062968115E+03 -0.40429E-02 -0.85654E-03 308 0.285E-01 0.181E-01
DAV: 16 -0.383071963087E+03 -0.89950E-02 -0.26870E-03 340 0.157E-01 0.129E-01
DAV: 17 -0.383087331119E+03 -0.15368E-01 -0.36462E-03 292 0.160E-01 0.631E-02
DAV: 18 -0.383094730740E+03 -0.73996E-02 -0.15561E-03 316 0.108E-01 0.667E-02
DAV: 19 -0.383102659647E+03 -0.79289E-02 -0.78720E-04 316 0.748E-02 0.447E-02
DAV: 20 -0.383109402058E+03 -0.67424E-02 -0.30191E-04 308 0.389E-02 0.272E-02
DAV: 21 -0.383112881577E+03 -0.34795E-02 -0.18204E-04 308 0.303E-02 0.151E-02
DAV: 22 -0.383115555939E+03 -0.26744E-02 -0.12666E-04 300 0.219E-02 0.105E-02
DAV: 23 -0.383117256019E+03 -0.17001E-02 -0.94807E-05 284 0.173E-02 0.543E-03
DAV: 24 -0.383117771850E+03 -0.51583E-03 -0.21744E-05 252 0.866E-03 0.400E-03
DAV: 25 -0.383118025406E+03 -0.25356E-03 -0.79915E-06 220 0.600E-03 0.315E-03
DAV: 26 -0.383118133340E+03 -0.10793E-03 -0.49851E-06 228 0.443E-03 0.173E-03
DAV: 27 -0.383118189900E+03 -0.56560E-04 -0.21070E-06 204 0.337E-03 0.140E-03
DAV: 28 -0.383118242757E+03 -0.52857E-04 -0.26335E-06 220 0.318E-03 0.135E-03
DAV: 29 -0.383118251225E+03 -0.84677E-05 -0.60431E-07 236 0.187E-03
1 F= -.38311825E+03 E0= -.38313158E+03 d E =0.399816E-01