iterations/neb0_image08_iter61_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 0.142871541535E+04 0.14287E+04 -0.44052E+04 330 0.697E+02
DAV: 2 0.228982221434E+03 -0.11997E+04 -0.11268E+04 417 0.162E+02
DAV: 3 -0.354397348311E+03 -0.58338E+03 -0.57899E+03 363 0.113E+02
DAV: 4 -0.423711407048E+03 -0.69314E+02 -0.68963E+02 309 0.490E+01
DAV: 5 -0.425369507202E+03 -0.16581E+01 -0.16552E+01 363 0.771E+00 0.416E+01
DAV: 6 -0.381239079456E+03 0.44130E+02 -0.15050E+02 309 0.289E+01 0.203E+01
DAV: 7 -0.378188006876E+03 0.30511E+01 -0.11160E+01 327 0.773E+00 0.102E+01
DAV: 8 -0.376774213305E+03 0.14138E+01 -0.18554E+00 327 0.376E+00 0.413E+00
DAV: 9 -0.376251337777E+03 0.52288E+00 -0.56087E-01 336 0.181E+00 0.908E-01
DAV: 10 -0.376200152129E+03 0.51186E-01 -0.73140E-02 336 0.772E-01 0.610E-01
DAV: 11 -0.376169567966E+03 0.30584E-01 -0.22758E-02 318 0.428E-01 0.347E-01
DAV: 12 -0.376155073594E+03 0.14494E-01 -0.13957E-02 318 0.367E-01 0.181E-01
DAV: 13 -0.376157145281E+03 -0.20717E-02 -0.10605E-02 318 0.342E-01 0.134E-01
DAV: 14 -0.376173055283E+03 -0.15910E-01 -0.71711E-03 309 0.284E-01 0.750E-02
DAV: 15 -0.376180984948E+03 -0.79297E-02 -0.32774E-03 327 0.166E-01 0.628E-02
DAV: 16 -0.376188425725E+03 -0.74408E-02 -0.70526E-04 336 0.678E-02 0.457E-02
DAV: 17 -0.376197314018E+03 -0.88883E-02 -0.50025E-04 291 0.474E-02 0.255E-02
DAV: 18 -0.376201074413E+03 -0.37604E-02 -0.11827E-04 309 0.255E-02 0.193E-02
DAV: 19 -0.376206500116E+03 -0.54257E-02 -0.42583E-04 300 0.415E-02 0.122E-02
DAV: 20 -0.376207733146E+03 -0.12330E-02 -0.40653E-05 282 0.165E-02 0.846E-03
DAV: 21 -0.376208950917E+03 -0.12178E-02 -0.74193E-05 291 0.195E-02 0.813E-03
DAV: 22 -0.376209398234E+03 -0.44732E-03 -0.11816E-05 228 0.975E-03 0.422E-03
DAV: 23 -0.376209738878E+03 -0.34064E-03 -0.26879E-05 237 0.115E-02 0.571E-03
DAV: 24 -0.376209858400E+03 -0.11952E-03 -0.28485E-06 228 0.661E-03 0.331E-03
DAV: 25 -0.376209958272E+03 -0.99872E-04 -0.80716E-06 201 0.775E-03 0.199E-03
DAV: 26 -0.376209982384E+03 -0.24112E-04 -0.16309E-06 219 0.336E-03 0.207E-03
DAV: 27 -0.376210000543E+03 -0.18158E-04 -0.64879E-07 219 0.187E-03 0.140E-03
DAV: 28 -0.376210013350E+03 -0.12808E-04 -0.65078E-07 219 0.218E-03 0.512E-04
DAV: 29 -0.376210021180E+03 -0.78292E-05 -0.30949E-07 219 0.134E-03
1 F= -.37621002E+03 E0= -.37621389E+03 d E =0.115958E-01