iterations/neb0_image04_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 0.144676545968E+04 0.14468E+04 -0.44176E+04 330 0.697E+02
DAV: 2 0.228412765711E+03 -0.12184E+04 -0.11434E+04 426 0.163E+02
DAV: 3 -0.360465326504E+03 -0.58888E+03 -0.58557E+03 345 0.114E+02
DAV: 4 -0.432623891708E+03 -0.72159E+02 -0.71900E+02 309 0.512E+01
DAV: 5 -0.434257586035E+03 -0.16337E+01 -0.16307E+01 327 0.795E+00 0.424E+01
DAV: 6 -0.388723044301E+03 0.45535E+02 -0.14683E+02 309 0.286E+01 0.207E+01
DAV: 7 -0.385308535890E+03 0.34145E+01 -0.13205E+01 336 0.779E+00 0.104E+01
DAV: 8 -0.383843163831E+03 0.14654E+01 -0.18935E+00 336 0.383E+00 0.429E+00
DAV: 9 -0.383315938984E+03 0.52722E+00 -0.15241E+00 327 0.238E+00 0.141E+00
DAV: 10 -0.383252580719E+03 0.63358E-01 -0.40934E-01 336 0.117E+00 0.115E+00
DAV: 11 -0.383216179916E+03 0.36401E-01 -0.21930E-01 372 0.739E-01 0.703E-01
DAV: 12 -0.383193508342E+03 0.22672E-01 -0.39503E-02 318 0.484E-01 0.683E-01
DAV: 13 -0.383185280847E+03 0.82275E-02 -0.17130E-01 390 0.557E-01 0.708E-01
DAV: 14 -0.383169152770E+03 0.16128E-01 -0.76973E-02 318 0.482E-01 0.503E-01
DAV: 15 -0.383168184689E+03 0.96808E-03 -0.61003E-02 318 0.396E-01 0.371E-01
DAV: 16 -0.383172237752E+03 -0.40531E-02 -0.79646E-03 300 0.267E-01 0.174E-01
DAV: 17 -0.383182885607E+03 -0.10648E-01 -0.56211E-03 291 0.204E-01 0.122E-01
DAV: 18 -0.383194453945E+03 -0.11568E-01 -0.39221E-03 309 0.170E-01 0.595E-02
DAV: 19 -0.383202160007E+03 -0.77061E-02 -0.12466E-03 327 0.101E-01 0.746E-02
DAV: 20 -0.383207421668E+03 -0.52617E-02 -0.32873E-04 336 0.424E-02 0.540E-02
DAV: 21 -0.383213097462E+03 -0.56758E-02 -0.28852E-04 327 0.379E-02 0.224E-02
DAV: 22 -0.383217204017E+03 -0.41066E-02 -0.25914E-04 336 0.339E-02 0.257E-02
DAV: 23 -0.383219358494E+03 -0.21545E-02 -0.10267E-04 309 0.217E-02 0.116E-02
DAV: 24 -0.383220043031E+03 -0.68454E-03 -0.31456E-05 300 0.138E-02 0.178E-02
DAV: 25 -0.383220982154E+03 -0.93912E-03 -0.46964E-05 273 0.136E-02 0.883E-03
DAV: 26 -0.383221213094E+03 -0.23094E-03 -0.72363E-06 237 0.753E-03 0.487E-03
DAV: 27 -0.383221433033E+03 -0.21994E-03 -0.14556E-05 219 0.893E-03 0.842E-03
DAV: 28 -0.383221525295E+03 -0.92263E-04 -0.40733E-06 228 0.521E-03 0.280E-03
DAV: 29 -0.383221573178E+03 -0.47883E-04 -0.30430E-06 210 0.439E-03 0.172E-03
DAV: 30 -0.383221610177E+03 -0.36999E-04 -0.10219E-06 201 0.267E-03 0.182E-03
DAV: 31 -0.383221637065E+03 -0.26888E-04 -0.10176E-06 219 0.212E-03 0.977E-04
DAV: 32 -0.383221647013E+03 -0.99477E-05 -0.34739E-07 228 0.134E-03
1 F= -.38322165E+03 E0= -.38323454E+03 d E =0.386662E-01