iterations/neb0_image05_iter39_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 0.142934365230E+04 0.14293E+04 -0.44027E+04 330 0.697E+02
DAV: 2 0.245714155815E+03 -0.11836E+04 -0.11110E+04 408 0.162E+02
DAV: 3 -0.332615681757E+03 -0.57833E+03 -0.57136E+03 372 0.115E+02
DAV: 4 -0.404009648937E+03 -0.71394E+02 -0.70636E+02 318 0.477E+01
DAV: 5 -0.405862111948E+03 -0.18525E+01 -0.18446E+01 345 0.773E+00 0.416E+01
DAV: 6 -0.363234853183E+03 0.42627E+02 -0.16546E+02 309 0.289E+01 0.211E+01
DAV: 7 -0.359746099651E+03 0.34888E+01 -0.17936E+01 327 0.954E+00 0.110E+01
DAV: 8 -0.358295486907E+03 0.14506E+01 -0.47019E+00 327 0.496E+00 0.579E+00
DAV: 9 -0.357618356949E+03 0.67713E+00 -0.21118E+00 327 0.275E+00 0.211E+00
DAV: 10 -0.357484158588E+03 0.13420E+00 -0.61711E-01 327 0.123E+00 0.108E+00
DAV: 11 -0.357444064033E+03 0.40095E-01 -0.10271E-01 327 0.638E-01 0.717E-01
DAV: 12 -0.357415273028E+03 0.28791E-01 -0.20886E-02 345 0.377E-01 0.420E-01
DAV: 13 -0.357397928796E+03 0.17344E-01 -0.23348E-02 345 0.406E-01 0.278E-01
DAV: 14 -0.357397306155E+03 0.62264E-03 -0.91941E-03 327 0.263E-01 0.179E-01
DAV: 15 -0.357408206253E+03 -0.10900E-01 -0.52439E-03 318 0.232E-01 0.113E-01
DAV: 16 -0.357420290395E+03 -0.12084E-01 -0.65159E-03 300 0.257E-01 0.764E-02
DAV: 17 -0.357429047225E+03 -0.87568E-02 -0.41369E-03 327 0.163E-01 0.520E-02
DAV: 18 -0.357434704488E+03 -0.56573E-02 -0.47571E-04 327 0.540E-02 0.405E-02
DAV: 19 -0.357441264765E+03 -0.65603E-02 -0.39144E-04 327 0.389E-02 0.230E-02
DAV: 20 -0.357445788611E+03 -0.45238E-02 -0.18906E-04 300 0.274E-02 0.160E-02
DAV: 21 -0.357449521493E+03 -0.37329E-02 -0.24687E-04 300 0.288E-02 0.104E-02
DAV: 22 -0.357450809925E+03 -0.12884E-02 -0.47097E-05 291 0.132E-02 0.717E-03
DAV: 23 -0.357451740756E+03 -0.93083E-03 -0.39176E-05 264 0.134E-02 0.421E-03
DAV: 24 -0.357452201329E+03 -0.46057E-03 -0.14989E-05 237 0.766E-03 0.352E-03
DAV: 25 -0.357452431785E+03 -0.23046E-03 -0.84977E-06 228 0.620E-03 0.199E-03
DAV: 26 -0.357452564419E+03 -0.13263E-03 -0.52686E-06 219 0.434E-03 0.222E-03
DAV: 27 -0.357452624545E+03 -0.60126E-04 -0.25274E-06 237 0.394E-03 0.109E-03
DAV: 28 -0.357452661870E+03 -0.37325E-04 -0.26312E-06 228 0.375E-03 0.161E-03
DAV: 29 -0.357452673335E+03 -0.11465E-04 -0.78124E-07 237 0.273E-03 0.522E-04
DAV: 30 -0.357452684979E+03 -0.11644E-04 -0.77440E-07 210 0.170E-03 0.735E-04
DAV: 31 -0.357452690187E+03 -0.52077E-05 -0.21287E-07 228 0.123E-03
1 F= -.35745269E+03 E0= -.35747134E+03 d E =0.559625E-01