iterations/neb0_image04_iter6_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 0.161891465727E+04 0.16189E+04 -0.42280E+04 306 0.697E+02
DAV: 2 0.298010852498E+03 -0.13209E+04 -0.12419E+04 420 0.168E+02
DAV: 3 -0.354104050167E+03 -0.65211E+03 -0.64856E+03 356 0.123E+02
DAV: 4 -0.433247647044E+03 -0.79144E+02 -0.78803E+02 316 0.540E+01
DAV: 5 -0.435093231634E+03 -0.18456E+01 -0.18433E+01 340 0.830E+00 0.427E+01
DAV: 6 -0.389067545727E+03 0.46026E+02 -0.15048E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385564756735E+03 0.35028E+01 -0.12330E+01 340 0.767E+00 0.104E+01
DAV: 8 -0.384123423673E+03 0.14413E+01 -0.23380E+00 332 0.381E+00 0.429E+00
DAV: 9 -0.383572318563E+03 0.55111E+00 -0.96984E-01 324 0.203E+00 0.100E+00
DAV: 10 -0.383516398101E+03 0.55920E-01 -0.10767E-01 340 0.885E-01 0.758E-01
DAV: 11 -0.383479533747E+03 0.36864E-01 -0.71741E-02 356 0.672E-01 0.502E-01
DAV: 12 -0.383470411845E+03 0.91219E-02 -0.31472E-02 348 0.436E-01 0.585E-01
DAV: 13 -0.383465828874E+03 0.45830E-02 -0.63184E-02 364 0.357E-01 0.342E-01
DAV: 14 -0.383462148449E+03 0.36804E-02 -0.27340E-02 308 0.342E-01 0.321E-01
DAV: 15 -0.383466215754E+03 -0.40673E-02 -0.18883E-02 348 0.224E-01 0.157E-01
DAV: 16 -0.383472043182E+03 -0.58274E-02 -0.42184E-03 284 0.165E-01 0.111E-01
DAV: 17 -0.383485712892E+03 -0.13670E-01 -0.39331E-03 308 0.161E-01 0.945E-02
DAV: 18 -0.383496174090E+03 -0.10461E-01 -0.24224E-03 300 0.127E-01 0.834E-02
DAV: 19 -0.383503137669E+03 -0.69636E-02 -0.11037E-03 332 0.764E-02 0.390E-02
DAV: 20 -0.383507015522E+03 -0.38779E-02 -0.25349E-04 316 0.331E-02 0.403E-02
DAV: 21 -0.383513431234E+03 -0.64157E-02 -0.48265E-04 292 0.387E-02 0.153E-02
DAV: 22 -0.383516894092E+03 -0.34629E-02 -0.19793E-04 316 0.256E-02 0.179E-02
DAV: 23 -0.383518266899E+03 -0.13728E-02 -0.69628E-05 300 0.158E-02 0.106E-02
DAV: 24 -0.383519190345E+03 -0.92345E-03 -0.43696E-05 284 0.125E-02 0.660E-03
DAV: 25 -0.383519550036E+03 -0.35969E-03 -0.11562E-05 236 0.718E-03 0.468E-03
DAV: 26 -0.383519762239E+03 -0.21220E-03 -0.12533E-05 220 0.659E-03 0.271E-03
DAV: 27 -0.383519819704E+03 -0.57465E-04 -0.17495E-06 236 0.334E-03 0.224E-03
DAV: 28 -0.383519886590E+03 -0.66886E-04 -0.24798E-06 196 0.322E-03 0.106E-03
DAV: 29 -0.383519908700E+03 -0.22110E-04 -0.91371E-07 220 0.186E-03 0.127E-03
DAV: 30 -0.383519929622E+03 -0.20921E-04 -0.71363E-07 212 0.182E-03 0.494E-04
DAV: 31 -0.383519938580E+03 -0.89579E-05 -0.38755E-07 228 0.117E-03
1 F= -.38351994E+03 E0= -.38353289E+03 d E =0.388478E-01