iterations/neb0_image04_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 0.161894315561E+04 0.16189E+04 -0.42281E+04 306 0.697E+02
DAV: 2 0.298029666709E+03 -0.13209E+04 -0.12420E+04 420 0.168E+02
DAV: 3 -0.354108151615E+03 -0.65214E+03 -0.64854E+03 356 0.123E+02
DAV: 4 -0.433263326754E+03 -0.79155E+02 -0.78814E+02 316 0.540E+01
DAV: 5 -0.435107115364E+03 -0.18438E+01 -0.18416E+01 340 0.830E+00 0.427E+01
DAV: 6 -0.389065207732E+03 0.46042E+02 -0.15049E+02 316 0.286E+01 0.208E+01
DAV: 7 -0.385569239321E+03 0.34960E+01 -0.12535E+01 340 0.770E+00 0.104E+01
DAV: 8 -0.384139912500E+03 0.14293E+01 -0.26127E+00 332 0.388E+00 0.433E+00
DAV: 9 -0.383587353662E+03 0.55256E+00 -0.95805E-01 324 0.206E+00 0.113E+00
DAV: 10 -0.383514444208E+03 0.72909E-01 -0.19438E-01 340 0.981E-01 0.848E-01
DAV: 11 -0.383492444141E+03 0.22000E-01 -0.75683E-02 316 0.501E-01 0.690E-01
DAV: 12 -0.383479873771E+03 0.12570E-01 -0.23948E-01 316 0.536E-01 0.485E-01
DAV: 13 -0.383472159565E+03 0.77142E-02 -0.21165E-02 324 0.347E-01 0.464E-01
DAV: 14 -0.383471578028E+03 0.58154E-03 -0.59417E-02 324 0.380E-01 0.514E-01
DAV: 15 -0.383471381480E+03 0.19655E-03 -0.33016E-02 340 0.332E-01 0.274E-01
DAV: 16 -0.383475501855E+03 -0.41204E-02 -0.48107E-03 332 0.174E-01 0.164E-01
DAV: 17 -0.383481133786E+03 -0.56319E-02 -0.10309E-03 276 0.839E-02 0.101E-01
DAV: 18 -0.383494637210E+03 -0.13503E-01 -0.24640E-03 292 0.138E-01 0.848E-02
DAV: 19 -0.383503213209E+03 -0.85760E-02 -0.16529E-03 316 0.107E-01 0.141E-01
DAV: 20 -0.383507436587E+03 -0.42234E-02 -0.50643E-04 316 0.675E-02 0.573E-02
DAV: 21 -0.383513547300E+03 -0.61107E-02 -0.63462E-04 308 0.457E-02 0.344E-02
DAV: 22 -0.383517729091E+03 -0.41818E-02 -0.20514E-04 308 0.308E-02 0.250E-02
DAV: 23 -0.383520148341E+03 -0.24192E-02 -0.13216E-04 308 0.251E-02 0.196E-02
DAV: 24 -0.383522053604E+03 -0.19053E-02 -0.89572E-05 308 0.184E-02 0.181E-02
DAV: 25 -0.383523070128E+03 -0.10165E-02 -0.64569E-05 284 0.206E-02 0.154E-02
DAV: 26 -0.383523384157E+03 -0.31403E-03 -0.20337E-05 260 0.114E-02 0.599E-03
DAV: 27 -0.383523514433E+03 -0.13028E-03 -0.44651E-06 220 0.572E-03 0.340E-03
DAV: 28 -0.383523693318E+03 -0.17889E-03 -0.89939E-06 196 0.634E-03 0.182E-03
DAV: 29 -0.383523763696E+03 -0.70378E-04 -0.24330E-06 228 0.338E-03 0.177E-03
DAV: 30 -0.383523817434E+03 -0.53737E-04 -0.25275E-06 196 0.367E-03 0.177E-03
DAV: 31 -0.383523831784E+03 -0.14350E-04 -0.68310E-07 228 0.207E-03 0.691E-04
DAV: 32 -0.383523851038E+03 -0.19254E-04 -0.12080E-06 204 0.276E-03 0.124E-03
DAV: 33 -0.383523853569E+03 -0.25310E-05 -0.25442E-07 228 0.150E-03
1 F= -.38352385E+03 E0= -.38353732E+03 d E =0.403866E-01