iterations/neb0_image09_iter58_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 0.143016841325E+04 0.14302E+04 -0.44032E+04 330 0.697E+02
DAV: 2 0.225849849439E+03 -0.12043E+04 -0.11311E+04 426 0.162E+02
DAV: 3 -0.351208506322E+03 -0.57706E+03 -0.57157E+03 354 0.113E+02
DAV: 4 -0.422661041388E+03 -0.71453E+02 -0.71065E+02 309 0.504E+01
DAV: 5 -0.424374535406E+03 -0.17135E+01 -0.17094E+01 345 0.797E+00 0.418E+01
DAV: 6 -0.379871902296E+03 0.44503E+02 -0.15751E+02 309 0.291E+01 0.218E+01
DAV: 7 -0.377996957061E+03 0.18749E+01 -0.44626E+01 381 0.936E+00 0.121E+01
DAV: 8 -0.375316533946E+03 0.26804E+01 -0.53647E+00 381 0.520E+00 0.619E+00
DAV: 9 -0.374803402246E+03 0.51313E+00 -0.31255E+00 318 0.319E+00 0.531E+00
DAV: 10 -0.374904352011E+03 -0.10095E+00 -0.12229E+01 399 0.230E+00 0.385E+00
DAV: 11 -0.374486246234E+03 0.41811E+00 -0.11286E+00 372 0.143E+00 0.132E+00
DAV: 12 -0.374451162471E+03 0.35084E-01 -0.82924E-02 318 0.565E-01 0.833E-01
DAV: 13 -0.374423459711E+03 0.27703E-01 -0.16059E-01 354 0.564E-01 0.471E-01
DAV: 14 -0.374423573379E+03 -0.11367E-03 -0.24466E-02 318 0.285E-01 0.206E-01
DAV: 15 -0.374428883309E+03 -0.53099E-02 -0.58265E-03 336 0.193E-01 0.179E-01
DAV: 16 -0.374440665870E+03 -0.11783E-01 -0.66371E-03 309 0.264E-01 0.923E-02
DAV: 17 -0.374448263861E+03 -0.75980E-02 -0.56813E-03 327 0.179E-01 0.179E-01
DAV: 18 -0.374455296630E+03 -0.70328E-02 -0.34560E-03 309 0.867E-02 0.548E-02
DAV: 19 -0.374461639366E+03 -0.63427E-02 -0.90739E-04 309 0.753E-02 0.663E-02
DAV: 20 -0.374467621416E+03 -0.59821E-02 -0.83944E-04 318 0.524E-02 0.240E-02
DAV: 21 -0.374469607325E+03 -0.19859E-02 -0.24718E-04 345 0.291E-02 0.280E-02
DAV: 22 -0.374471848982E+03 -0.22417E-02 -0.16907E-04 273 0.190E-02 0.122E-02
DAV: 23 -0.374473245196E+03 -0.13962E-02 -0.66944E-05 291 0.143E-02 0.183E-02
DAV: 24 -0.374474021712E+03 -0.77652E-03 -0.64603E-05 273 0.139E-02 0.477E-03
DAV: 25 -0.374474330389E+03 -0.30868E-03 -0.95357E-06 228 0.828E-03 0.283E-03
DAV: 26 -0.374474522779E+03 -0.19239E-03 -0.11605E-05 210 0.646E-03 0.363E-03
DAV: 27 -0.374474583158E+03 -0.60379E-04 -0.25199E-06 228 0.519E-03 0.152E-03
DAV: 28 -0.374474637296E+03 -0.54138E-04 -0.37657E-06 201 0.496E-03 0.272E-03
DAV: 29 -0.374474658818E+03 -0.21522E-04 -0.96403E-07 219 0.297E-03 0.166E-03
DAV: 30 -0.374474673313E+03 -0.14495E-04 -0.13772E-06 228 0.293E-03 0.101E-03
DAV: 31 -0.374474680678E+03 -0.73647E-05 -0.32709E-07 219 0.153E-03
1 F= -.37447468E+03 E0= -.37449146E+03 d E =0.503329E-01