iterations/neb0_image05_iter6_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 0.145043986405E+04 0.14504E+04 -0.44210E+04 330 0.697E+02
DAV: 2 0.232724297831E+03 -0.12177E+04 -0.11429E+04 417 0.163E+02
DAV: 3 -0.364776712981E+03 -0.59750E+03 -0.59422E+03 354 0.114E+02
DAV: 4 -0.433258516245E+03 -0.68482E+02 -0.68247E+02 309 0.495E+01
DAV: 5 -0.434765179701E+03 -0.15067E+01 -0.15039E+01 327 0.763E+00 0.426E+01
DAV: 6 -0.388926148973E+03 0.45839E+02 -0.14803E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385494349599E+03 0.34318E+01 -0.13471E+01 345 0.781E+00 0.104E+01
DAV: 8 -0.384039511694E+03 0.14548E+01 -0.24081E+00 336 0.390E+00 0.437E+00
DAV: 9 -0.383507088539E+03 0.53242E+00 -0.16165E+00 327 0.241E+00 0.138E+00
DAV: 10 -0.383413925988E+03 0.93163E-01 -0.17525E-01 327 0.119E+00 0.978E-01
DAV: 11 -0.383388090753E+03 0.25835E-01 -0.11654E-01 327 0.794E-01 0.738E-01
DAV: 12 -0.383365745734E+03 0.22345E-01 -0.30309E-02 327 0.506E-01 0.648E-01
DAV: 13 -0.383357936302E+03 0.78094E-02 -0.72808E-02 354 0.441E-01 0.553E-01
DAV: 14 -0.383344304201E+03 0.13632E-01 -0.19172E-02 318 0.439E-01 0.241E-01
DAV: 15 -0.383344927952E+03 -0.62375E-03 -0.15773E-02 309 0.359E-01 0.342E-01
DAV: 16 -0.383346363073E+03 -0.14351E-02 -0.48642E-03 327 0.203E-01 0.139E-01
DAV: 17 -0.383355155646E+03 -0.87926E-02 -0.27837E-03 282 0.154E-01 0.111E-01
DAV: 18 -0.383369449763E+03 -0.14294E-01 -0.44039E-03 309 0.188E-01 0.120E-01
DAV: 19 -0.383376046760E+03 -0.65970E-02 -0.23030E-03 318 0.138E-01 0.786E-02
DAV: 20 -0.383380178769E+03 -0.41320E-02 -0.47525E-04 327 0.574E-02 0.668E-02
DAV: 21 -0.383385760687E+03 -0.55819E-02 -0.36338E-04 309 0.427E-02 0.451E-02
DAV: 22 -0.383391332705E+03 -0.55720E-02 -0.41542E-04 327 0.436E-02 0.420E-02
DAV: 23 -0.383392961362E+03 -0.16287E-02 -0.10277E-04 327 0.242E-02 0.193E-02
DAV: 24 -0.383394769107E+03 -0.18077E-02 -0.91961E-05 282 0.196E-02 0.210E-02
DAV: 25 -0.383395623444E+03 -0.85434E-03 -0.27976E-05 264 0.130E-02 0.130E-02
DAV: 26 -0.383396252460E+03 -0.62902E-03 -0.30333E-05 282 0.111E-02 0.667E-03
DAV: 27 -0.383396538994E+03 -0.28653E-03 -0.10742E-05 228 0.999E-03 0.621E-03
DAV: 28 -0.383396726502E+03 -0.18751E-03 -0.58463E-06 210 0.639E-03 0.323E-03
DAV: 29 -0.383396847817E+03 -0.12132E-03 -0.61916E-06 219 0.572E-03 0.381E-03
DAV: 30 -0.383396891238E+03 -0.43421E-04 -0.19586E-06 228 0.321E-03 0.201E-03
DAV: 31 -0.383396918803E+03 -0.27565E-04 -0.12168E-06 201 0.243E-03 0.125E-03
DAV: 32 -0.383396944811E+03 -0.26009E-04 -0.92027E-07 219 0.202E-03 0.792E-04
DAV: 33 -0.383396956509E+03 -0.11698E-04 -0.50698E-07 219 0.130E-03 0.611E-04
DAV: 34 -0.383396963863E+03 -0.73540E-05 -0.29788E-07 228 0.122E-03
1 F= -.38339696E+03 E0= -.38341368E+03 d E =0.501491E-01