iterations/neb0_image04_iter8_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 0.161901199557E+04 0.16190E+04 -0.42281E+04 306 0.697E+02
DAV: 2 0.298056497206E+03 -0.13210E+04 -0.12419E+04 420 0.168E+02
DAV: 3 -0.354116824351E+03 -0.65217E+03 -0.64861E+03 356 0.123E+02
DAV: 4 -0.433258932216E+03 -0.79142E+02 -0.78802E+02 316 0.540E+01
DAV: 5 -0.435104305861E+03 -0.18454E+01 -0.18431E+01 340 0.830E+00 0.427E+01
DAV: 6 -0.389068058535E+03 0.46036E+02 -0.15049E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385565189099E+03 0.35029E+01 -0.12359E+01 340 0.768E+00 0.104E+01
DAV: 8 -0.384128613520E+03 0.14366E+01 -0.24575E+00 332 0.384E+00 0.430E+00
DAV: 9 -0.383582171900E+03 0.54644E+00 -0.98584E-01 324 0.205E+00 0.110E+00
DAV: 10 -0.383508478149E+03 0.73694E-01 -0.15249E-01 340 0.959E-01 0.778E-01
DAV: 11 -0.383485309820E+03 0.23168E-01 -0.33888E-02 324 0.464E-01 0.542E-01
DAV: 12 -0.383469821912E+03 0.15488E-01 -0.14477E-01 316 0.544E-01 0.430E-01
DAV: 13 -0.383463763772E+03 0.60581E-02 -0.12144E-02 324 0.326E-01 0.385E-01
DAV: 14 -0.383463531026E+03 0.23275E-03 -0.24327E-02 324 0.324E-01 0.262E-01
DAV: 15 -0.383466782764E+03 -0.32517E-02 -0.18891E-02 308 0.266E-01 0.242E-01
DAV: 16 -0.383471810353E+03 -0.50276E-02 -0.66315E-03 316 0.150E-01 0.133E-01
DAV: 17 -0.383484616415E+03 -0.12806E-01 -0.30446E-03 276 0.131E-01 0.123E-01
DAV: 18 -0.383494021805E+03 -0.94054E-02 -0.30494E-03 300 0.138E-01 0.105E-01
DAV: 19 -0.383501844038E+03 -0.78222E-02 -0.16121E-03 324 0.977E-02 0.632E-02
DAV: 20 -0.383507907278E+03 -0.60632E-02 -0.44774E-04 300 0.496E-02 0.559E-02
DAV: 21 -0.383512406376E+03 -0.44991E-02 -0.24907E-04 324 0.375E-02 0.281E-02
DAV: 22 -0.383515362694E+03 -0.29563E-02 -0.17367E-04 308 0.315E-02 0.237E-02
DAV: 23 -0.383517001172E+03 -0.16385E-02 -0.61737E-05 316 0.215E-02 0.235E-02
DAV: 24 -0.383518405709E+03 -0.14045E-02 -0.68552E-05 284 0.168E-02 0.881E-03
DAV: 25 -0.383519171616E+03 -0.76591E-03 -0.39640E-05 276 0.118E-02 0.539E-03
DAV: 26 -0.383519483625E+03 -0.31201E-03 -0.10173E-05 228 0.635E-03 0.422E-03
DAV: 27 -0.383519701535E+03 -0.21791E-03 -0.97563E-06 212 0.566E-03 0.332E-03
DAV: 28 -0.383519765301E+03 -0.63766E-04 -0.25883E-06 220 0.308E-03 0.377E-03
DAV: 29 -0.383519821029E+03 -0.55728E-04 -0.23554E-06 204 0.347E-03 0.148E-03
DAV: 30 -0.383519842214E+03 -0.21186E-04 -0.11219E-06 212 0.203E-03 0.133E-03
DAV: 31 -0.383519859420E+03 -0.17206E-04 -0.75620E-07 212 0.179E-03 0.514E-04
DAV: 32 -0.383519863189E+03 -0.37681E-05 -0.26600E-07 228 0.989E-04
1 F= -.38351986E+03 E0= -.38353291E+03 d E =0.391291E-01