iterations/neb0_image04_iter60_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 0.144781960455E+04 0.14478E+04 -0.44209E+04 330 0.697E+02
DAV: 2 0.230658896903E+03 -0.12172E+04 -0.11400E+04 417 0.163E+02
DAV: 3 -0.364467695212E+03 -0.59513E+03 -0.59181E+03 354 0.114E+02
DAV: 4 -0.433352776131E+03 -0.68885E+02 -0.68632E+02 309 0.496E+01
DAV: 5 -0.434898748428E+03 -0.15460E+01 -0.15435E+01 327 0.768E+00 0.426E+01
DAV: 6 -0.388976858453E+03 0.45922E+02 -0.14890E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385505482409E+03 0.34714E+01 -0.13130E+01 345 0.776E+00 0.104E+01
DAV: 8 -0.384025074988E+03 0.14804E+01 -0.18283E+00 336 0.377E+00 0.429E+00
DAV: 9 -0.383500036189E+03 0.52504E+00 -0.15604E+00 336 0.215E+00 0.110E+00
DAV: 10 -0.383428344175E+03 0.71692E-01 -0.11896E-01 327 0.933E-01 0.892E-01
DAV: 11 -0.383391253549E+03 0.37091E-01 -0.16202E-01 318 0.804E-01 0.801E-01
DAV: 12 -0.383371789990E+03 0.19464E-01 -0.31874E-02 327 0.490E-01 0.487E-01
DAV: 13 -0.383356791313E+03 0.14999E-01 -0.10925E-02 318 0.374E-01 0.299E-01
DAV: 14 -0.383351909448E+03 0.48819E-02 -0.21710E-02 327 0.437E-01 0.479E-01
DAV: 15 -0.383350268159E+03 0.16413E-02 -0.64275E-03 336 0.212E-01 0.229E-01
DAV: 16 -0.383355847498E+03 -0.55793E-02 -0.63015E-03 291 0.197E-01 0.221E-01
DAV: 17 -0.383362947541E+03 -0.71000E-02 -0.18932E-02 318 0.198E-01 0.303E-01
DAV: 18 -0.383368942103E+03 -0.59946E-02 -0.10542E-02 291 0.140E-01 0.797E-02
DAV: 19 -0.383379995753E+03 -0.11054E-01 -0.23388E-03 309 0.147E-01 0.789E-02
DAV: 20 -0.383388266060E+03 -0.82703E-02 -0.12873E-03 336 0.975E-02 0.670E-02
DAV: 21 -0.383393716197E+03 -0.54501E-02 -0.34692E-04 363 0.490E-02 0.479E-02
DAV: 22 -0.383396840853E+03 -0.31247E-02 -0.14108E-04 300 0.266E-02 0.259E-02
DAV: 23 -0.383399762902E+03 -0.29220E-02 -0.11496E-04 309 0.197E-02 0.174E-02
DAV: 24 -0.383402456153E+03 -0.26933E-02 -0.15093E-04 291 0.220E-02 0.101E-02
DAV: 25 -0.383403421389E+03 -0.96524E-03 -0.40970E-05 300 0.118E-02 0.101E-02
DAV: 26 -0.383403923874E+03 -0.50249E-03 -0.18155E-05 228 0.833E-03 0.560E-03
DAV: 27 -0.383404168482E+03 -0.24461E-03 -0.95833E-06 237 0.548E-03 0.245E-03
DAV: 28 -0.383404269641E+03 -0.10116E-03 -0.28668E-06 228 0.340E-03 0.140E-03
DAV: 29 -0.383404355898E+03 -0.86257E-04 -0.29798E-06 201 0.316E-03 0.152E-03
DAV: 30 -0.383404380554E+03 -0.24656E-04 -0.10300E-06 228 0.204E-03 0.746E-04
DAV: 31 -0.383404403306E+03 -0.22751E-04 -0.11394E-06 201 0.208E-03 0.115E-03
DAV: 32 -0.383404406733E+03 -0.34273E-05 -0.31040E-07 237 0.112E-03
1 F= -.38340441E+03 E0= -.38342127E+03 d E =0.505943E-01