iterations/neb0_image08_iter57_OSZICAR.out output for 3: !!! 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
terminated
N E dE d eps ncg rms rms(c)
DAV: 1 0.144295004183E+04 0.14430E+04 -0.44181E+04 330 0.697E+02
DAV: 2 0.230261099525E+03 -0.12127E+04 -0.11365E+04 417 0.163E+02
DAV: 3 -0.357300798649E+03 -0.58756E+03 -0.58392E+03 345 0.114E+02
DAV: 4 -0.428412664257E+03 -0.71112E+02 -0.70806E+02 309 0.513E+01
DAV: 5 -0.430092728286E+03 -0.16801E+01 -0.16765E+01 336 0.803E+00 0.423E+01
DAV: 6 -0.384911810084E+03 0.45181E+02 -0.14697E+02 309 0.286E+01 0.207E+01
DAV: 7 -0.381585236892E+03 0.33266E+01 -0.12024E+01 336 0.769E+00 0.103E+01
DAV: 8 -0.380139007033E+03 0.14462E+01 -0.19873E+00 327 0.388E+00 0.421E+00
DAV: 9 -0.379608386222E+03 0.53062E+00 -0.65791E-01 336 0.193E+00 0.936E-01
DAV: 10 -0.379545872981E+03 0.62513E-01 -0.90909E-02 336 0.806E-01 0.798E-01
DAV: 11 -0.379535394842E+03 0.10478E-01 -0.28503E-01 372 0.691E-01 0.109E+00
DAV: 12 -0.379501653894E+03 0.33741E-01 -0.11040E-01 345 0.450E-01 0.372E-01
DAV: 13 -0.379489361143E+03 0.12293E-01 -0.24099E-02 300 0.450E-01 0.381E-01
DAV: 14 -0.379488399786E+03 0.96136E-03 -0.10947E-02 336 0.276E-01 0.375E-01
DAV: 15 -0.379490720239E+03 -0.23205E-02 -0.68713E-03 300 0.206E-01 0.142E-01
DAV: 16 -0.379500769664E+03 -0.10049E-01 -0.27053E-03 309 0.178E-01 0.102E-01
DAV: 17 -0.379511308286E+03 -0.10539E-01 -0.30290E-03 300 0.186E-01 0.842E-02
DAV: 18 -0.379517802118E+03 -0.64938E-02 -0.18190E-03 318 0.124E-01 0.754E-02
DAV: 19 -0.379526151966E+03 -0.83498E-02 -0.70671E-04 327 0.675E-02 0.531E-02
DAV: 20 -0.379532825563E+03 -0.66736E-02 -0.31675E-04 318 0.388E-02 0.225E-02
DAV: 21 -0.379537713685E+03 -0.48881E-02 -0.27481E-04 327 0.318E-02 0.174E-02
DAV: 22 -0.379540236830E+03 -0.25231E-02 -0.12096E-04 300 0.214E-02 0.153E-02
DAV: 23 -0.379541711922E+03 -0.14751E-02 -0.74149E-05 291 0.165E-02 0.979E-03
DAV: 24 -0.379542084390E+03 -0.37247E-03 -0.74394E-06 237 0.793E-03 0.456E-03
DAV: 25 -0.379542463778E+03 -0.37939E-03 -0.18342E-05 219 0.876E-03 0.334E-03
DAV: 26 -0.379542598137E+03 -0.13436E-03 -0.32247E-06 228 0.445E-03 0.367E-03
DAV: 27 -0.379542694945E+03 -0.96808E-04 -0.26979E-06 210 0.345E-03 0.223E-03
DAV: 28 -0.379542762809E+03 -0.67864E-04 -0.25691E-06 219 0.341E-03 0.151E-03
DAV: 29 -0.379542782697E+03 -0.19888E-04 -0.81676E-07 228 0.231E-03 0.937E-04
DAV: 30 -0.379542795067E+03 -0.12371E-04 -0.57814E-07 210 0.170E-03 0.892E-04
DAV: 31 -0.379542806064E+03 -0.10997E-04 -0.32036E-07 219 0.120E-03 0.781E-04
DAV: 32 -0.379542812452E+03 -0.63883E-05 -0.25146E-07 210 0.965E-04
1 F= -.37954281E+03 E0= -.37956127E+03 d E =0.553664E-01