iterations/neb0_image03_iter37_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 0.144882826352E+04 0.14488E+04 -0.44197E+04 330 0.697E+02
DAV: 2 0.224578780421E+03 -0.12242E+04 -0.11482E+04 435 0.163E+02
DAV: 3 -0.362555075604E+03 -0.58713E+03 -0.58361E+03 345 0.114E+02
DAV: 4 -0.433418824263E+03 -0.70864E+02 -0.70636E+02 309 0.508E+01
DAV: 5 -0.435010452661E+03 -0.15916E+01 -0.15890E+01 318 0.783E+00 0.426E+01
DAV: 6 -0.389065520988E+03 0.45945E+02 -0.14802E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385601332777E+03 0.34642E+01 -0.13301E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.384117444767E+03 0.14839E+01 -0.18567E+00 327 0.379E+00 0.428E+00
DAV: 9 -0.383587477351E+03 0.52997E+00 -0.10051E+00 345 0.213E+00 0.111E+00
DAV: 10 -0.383522352845E+03 0.65125E-01 -0.21881E-01 327 0.975E-01 0.960E-01
DAV: 11 -0.383497682416E+03 0.24670E-01 -0.13905E-01 327 0.538E-01 0.881E-01
DAV: 12 -0.383485570348E+03 0.12112E-01 -0.10376E-01 381 0.602E-01 0.118E+00
DAV: 13 -0.383458640576E+03 0.26930E-01 -0.25652E-01 372 0.540E-01 0.569E-01
DAV: 14 -0.383448573862E+03 0.10067E-01 -0.36617E-02 309 0.474E-01 0.574E-01
DAV: 15 -0.383446033411E+03 0.25405E-02 -0.13121E-02 327 0.308E-01 0.581E-01
DAV: 16 -0.383446002204E+03 0.31208E-04 -0.13173E-02 309 0.219E-01 0.230E-01
DAV: 17 -0.383456263108E+03 -0.10261E-01 -0.44553E-03 300 0.225E-01 0.106E-01
DAV: 18 -0.383470184914E+03 -0.13922E-01 -0.45861E-03 309 0.230E-01 0.716E-02
DAV: 19 -0.383478849379E+03 -0.86645E-02 -0.20078E-03 327 0.122E-01 0.109E-01
DAV: 20 -0.383483762027E+03 -0.49126E-02 -0.24974E-04 336 0.420E-02 0.102E-01
DAV: 21 -0.383490960143E+03 -0.71981E-02 -0.64936E-04 309 0.541E-02 0.450E-02
DAV: 22 -0.383494607068E+03 -0.36469E-02 -0.28616E-04 336 0.389E-02 0.304E-02
DAV: 23 -0.383496303130E+03 -0.16961E-02 -0.11102E-04 336 0.272E-02 0.249E-02
DAV: 24 -0.383497554642E+03 -0.12515E-02 -0.57848E-05 264 0.152E-02 0.290E-02
DAV: 25 -0.383499211130E+03 -0.16565E-02 -0.11064E-04 300 0.186E-02 0.950E-03
DAV: 26 -0.383499761303E+03 -0.55017E-03 -0.25069E-05 273 0.105E-02 0.922E-03
DAV: 27 -0.383499883742E+03 -0.12244E-03 -0.70057E-06 237 0.772E-03 0.896E-03
DAV: 28 -0.383500029459E+03 -0.14572E-03 -0.33504E-06 219 0.459E-03 0.453E-03
DAV: 29 -0.383500237462E+03 -0.20800E-03 -0.81445E-06 219 0.669E-03 0.503E-03
DAV: 30 -0.383500259905E+03 -0.22443E-04 -0.25550E-06 237 0.434E-03 0.232E-03
DAV: 31 -0.383500295497E+03 -0.35592E-04 -0.12753E-06 201 0.254E-03 0.206E-03
DAV: 32 -0.383500334081E+03 -0.38584E-04 -0.12770E-06 210 0.213E-03 0.816E-04
DAV: 33 -0.383500352950E+03 -0.18869E-04 -0.80695E-07 210 0.190E-03 0.718E-04
DAV: 34 -0.383500360908E+03 -0.79582E-05 -0.34469E-07 228 0.112E-03
1 F= -.38350036E+03 E0= -.38351700E+03 d E =0.499258E-01