iterations/neb0_image01_iter75_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 0.144639264159E+04 0.14464E+04 -0.44188E+04 330 0.697E+02
DAV: 2 0.224140618454E+03 -0.12223E+04 -0.11452E+04 435 0.163E+02
DAV: 3 -0.362867220994E+03 -0.58701E+03 -0.58356E+03 345 0.114E+02
DAV: 4 -0.433389963136E+03 -0.70523E+02 -0.70247E+02 318 0.508E+01
DAV: 5 -0.434964442880E+03 -0.15745E+01 -0.15720E+01 318 0.779E+00 0.425E+01
DAV: 6 -0.389025626252E+03 0.45939E+02 -0.14787E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385571076346E+03 0.34545E+01 -0.13757E+01 345 0.783E+00 0.104E+01
DAV: 8 -0.384104691667E+03 0.14664E+01 -0.21194E+00 327 0.385E+00 0.445E+00
DAV: 9 -0.383569250890E+03 0.53544E+00 -0.23348E+00 372 0.259E+00 0.155E+00
DAV: 10 -0.383487703870E+03 0.81547E-01 -0.37900E-01 327 0.123E+00 0.109E+00
DAV: 11 -0.383454611209E+03 0.33093E-01 -0.67216E-02 336 0.686E-01 0.684E-01
DAV: 12 -0.383423713221E+03 0.30898E-01 -0.42730E-02 336 0.554E-01 0.481E-01
DAV: 13 -0.383413667420E+03 0.10046E-01 -0.75891E-02 345 0.445E-01 0.705E-01
DAV: 14 -0.383405640360E+03 0.80271E-02 -0.68719E-02 345 0.364E-01 0.542E-01
DAV: 15 -0.383406727607E+03 -0.10872E-02 -0.14678E-02 327 0.348E-01 0.514E-01
DAV: 16 -0.383405415457E+03 0.13122E-02 -0.13092E-02 300 0.272E-01 0.287E-01
DAV: 17 -0.383411465908E+03 -0.60505E-02 -0.63968E-03 318 0.273E-01 0.461E-01
DAV: 18 -0.383416085482E+03 -0.46196E-02 -0.12191E-02 345 0.206E-01 0.172E-01
DAV: 19 -0.383425760078E+03 -0.96746E-02 -0.24400E-03 282 0.137E-01 0.170E-01
DAV: 20 -0.383435441123E+03 -0.96810E-02 -0.13765E-03 318 0.109E-01 0.129E-01
DAV: 21 -0.383442442315E+03 -0.70012E-02 -0.69924E-04 336 0.811E-02 0.726E-02
DAV: 22 -0.383446808234E+03 -0.43659E-02 -0.27857E-04 336 0.445E-02 0.504E-02
DAV: 23 -0.383449258390E+03 -0.24502E-02 -0.10889E-04 309 0.246E-02 0.317E-02
DAV: 24 -0.383452192327E+03 -0.29339E-02 -0.14030E-04 309 0.234E-02 0.123E-02
DAV: 25 -0.383453806259E+03 -0.16139E-02 -0.76175E-05 300 0.180E-02 0.372E-02
DAV: 26 -0.383454796700E+03 -0.99044E-03 -0.45609E-05 291 0.159E-02 0.703E-03
DAV: 27 -0.383455183731E+03 -0.38703E-03 -0.23204E-05 273 0.964E-03 0.118E-02
DAV: 28 -0.383455310358E+03 -0.12663E-03 -0.37439E-06 246 0.552E-03 0.413E-03
DAV: 29 -0.383455430080E+03 -0.11972E-03 -0.32652E-06 201 0.390E-03 0.266E-03
DAV: 30 -0.383455510179E+03 -0.80099E-04 -0.22566E-06 228 0.293E-03 0.121E-03
DAV: 31 -0.383455548224E+03 -0.38045E-04 -0.11045E-06 210 0.232E-03 0.186E-03
DAV: 32 -0.383455578249E+03 -0.30025E-04 -0.11628E-06 192 0.188E-03 0.119E-03
DAV: 33 -0.383455584433E+03 -0.61838E-05 -0.37785E-07 237 0.133E-03
1 F= -.38345558E+03 E0= -.38347210E+03 d E =0.495606E-01