iterations/neb0_image06_iter20_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 0.162071091124E+04 0.16207E+04 -0.42284E+04 306 0.697E+02
DAV: 2 0.301085316048E+03 -0.13196E+04 -0.12412E+04 420 0.168E+02
DAV: 3 -0.358005535327E+03 -0.65909E+03 -0.65494E+03 364 0.123E+02
DAV: 4 -0.433253310464E+03 -0.75248E+02 -0.74974E+02 308 0.528E+01
DAV: 5 -0.434941542829E+03 -0.16882E+01 -0.16858E+01 348 0.810E+00 0.427E+01
DAV: 6 -0.388925465646E+03 0.46016E+02 -0.15059E+02 316 0.286E+01 0.209E+01
DAV: 7 -0.385435941247E+03 0.34895E+01 -0.12577E+01 332 0.772E+00 0.104E+01
DAV: 8 -0.384018399120E+03 0.14175E+01 -0.27436E+00 332 0.392E+00 0.433E+00
DAV: 9 -0.383447826504E+03 0.57057E+00 -0.62949E-01 332 0.197E+00 0.102E+00
DAV: 10 -0.383396879833E+03 0.50947E-01 -0.20125E-01 332 0.965E-01 0.815E-01
DAV: 11 -0.383373312892E+03 0.23567E-01 -0.37723E-02 316 0.470E-01 0.593E-01
DAV: 12 -0.383366751059E+03 0.65618E-02 -0.12891E-01 388 0.509E-01 0.668E-01
DAV: 13 -0.383350548001E+03 0.16203E-01 -0.67331E-02 308 0.420E-01 0.483E-01
DAV: 14 -0.383349178219E+03 0.13698E-02 -0.66115E-02 340 0.387E-01 0.517E-01
DAV: 15 -0.383352654873E+03 -0.34767E-02 -0.52271E-02 308 0.326E-01 0.469E-01
DAV: 16 -0.383355562689E+03 -0.29078E-02 -0.18149E-02 332 0.204E-01 0.321E-01
DAV: 17 -0.383363807179E+03 -0.82445E-02 -0.88418E-03 292 0.171E-01 0.267E-01
DAV: 18 -0.383376056540E+03 -0.12249E-01 -0.44230E-03 324 0.190E-01 0.128E-01
DAV: 19 -0.383381794856E+03 -0.57383E-02 -0.12099E-03 324 0.930E-02 0.101E-01
DAV: 20 -0.383389571544E+03 -0.77767E-02 -0.73827E-04 284 0.596E-02 0.818E-02
DAV: 21 -0.383396212631E+03 -0.66411E-02 -0.65998E-04 324 0.491E-02 0.297E-02
DAV: 22 -0.383399894443E+03 -0.36818E-02 -0.19181E-04 300 0.338E-02 0.217E-02
DAV: 23 -0.383403721543E+03 -0.38271E-02 -0.35679E-04 308 0.323E-02 0.293E-02
DAV: 24 -0.383404586168E+03 -0.86462E-03 -0.44762E-05 276 0.165E-02 0.210E-02
DAV: 25 -0.383405692335E+03 -0.11062E-02 -0.84240E-05 276 0.174E-02 0.820E-03
DAV: 26 -0.383406002336E+03 -0.31000E-03 -0.28600E-05 252 0.109E-02 0.721E-03
DAV: 27 -0.383406133181E+03 -0.13084E-03 -0.75666E-06 228 0.737E-03 0.743E-03
DAV: 28 -0.383406298663E+03 -0.16548E-03 -0.61315E-06 212 0.507E-03 0.460E-03
DAV: 29 -0.383406377440E+03 -0.78777E-04 -0.77299E-06 220 0.551E-03 0.233E-03
DAV: 30 -0.383406406490E+03 -0.29050E-04 -0.18410E-06 228 0.336E-03 0.230E-03
DAV: 31 -0.383406424165E+03 -0.17675E-04 -0.90682E-07 212 0.205E-03 0.193E-03
DAV: 32 -0.383406438619E+03 -0.14454E-04 -0.62473E-07 220 0.167E-03 0.146E-03
DAV: 33 -0.383406447112E+03 -0.84929E-05 -0.72402E-07 220 0.181E-03
1 F= -.38340645E+03 E0= -.38341992E+03 d E =0.404060E-01