iterations/neb0_image08_iter29_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 0.144960880842E+04 0.14496E+04 -0.44236E+04 330 0.697E+02
DAV: 2 0.233114593781E+03 -0.12165E+04 -0.11411E+04 417 0.163E+02
DAV: 3 -0.362735039902E+03 -0.59585E+03 -0.59233E+03 354 0.116E+02
DAV: 4 -0.432699451807E+03 -0.69964E+02 -0.69690E+02 309 0.498E+01
DAV: 5 -0.434277655514E+03 -0.15782E+01 -0.15752E+01 318 0.774E+00 0.426E+01
DAV: 6 -0.388646317564E+03 0.45631E+02 -0.14831E+02 309 0.287E+01 0.208E+01
DAV: 7 -0.385239387912E+03 0.34069E+01 -0.12832E+01 345 0.774E+00 0.104E+01
DAV: 8 -0.383772119709E+03 0.14673E+01 -0.18667E+00 336 0.379E+00 0.431E+00
DAV: 9 -0.383251538300E+03 0.52058E+00 -0.16182E+00 336 0.228E+00 0.113E+00
DAV: 10 -0.383175735839E+03 0.75802E-01 -0.14385E-01 336 0.101E+00 0.883E-01
DAV: 11 -0.383131387589E+03 0.44348E-01 -0.73222E-02 327 0.707E-01 0.573E-01
DAV: 12 -0.383113854690E+03 0.17533E-01 -0.60817E-02 354 0.523E-01 0.661E-01
DAV: 13 -0.383100568816E+03 0.13286E-01 -0.41601E-02 309 0.379E-01 0.305E-01
DAV: 14 -0.383096495372E+03 0.40734E-02 -0.44457E-02 318 0.393E-01 0.424E-01
DAV: 15 -0.383096294364E+03 0.20101E-03 -0.20343E-02 309 0.303E-01 0.206E-01
DAV: 16 -0.383102705051E+03 -0.64107E-02 -0.75063E-03 309 0.243E-01 0.241E-01
DAV: 17 -0.383110347725E+03 -0.76427E-02 -0.47273E-03 300 0.184E-01 0.170E-01
DAV: 18 -0.383115868039E+03 -0.55203E-02 -0.19397E-03 318 0.115E-01 0.174E-01
DAV: 19 -0.383125979231E+03 -0.10111E-01 -0.30394E-03 291 0.137E-01 0.821E-02
DAV: 20 -0.383132566266E+03 -0.65870E-02 -0.10169E-03 327 0.879E-02 0.525E-02
DAV: 21 -0.383136915938E+03 -0.43497E-02 -0.23573E-04 327 0.405E-02 0.317E-02
DAV: 22 -0.383142813008E+03 -0.58971E-02 -0.47867E-04 291 0.451E-02 0.476E-02
DAV: 23 -0.383144694815E+03 -0.18818E-02 -0.92604E-05 327 0.247E-02 0.250E-02
DAV: 24 -0.383146103040E+03 -0.14082E-02 -0.10583E-04 300 0.224E-02 0.109E-02
DAV: 25 -0.383146733805E+03 -0.63077E-03 -0.29696E-05 273 0.130E-02 0.172E-02
DAV: 26 -0.383147225910E+03 -0.49210E-03 -0.16596E-05 219 0.956E-03 0.106E-02
DAV: 27 -0.383147541146E+03 -0.31524E-03 -0.18281E-05 228 0.105E-02 0.425E-03
DAV: 28 -0.383147699085E+03 -0.15794E-03 -0.57109E-06 219 0.571E-03 0.412E-03
DAV: 29 -0.383147798020E+03 -0.98935E-04 -0.36392E-06 210 0.402E-03 0.205E-03
DAV: 30 -0.383147830110E+03 -0.32090E-04 -0.12020E-06 228 0.234E-03 0.105E-03
DAV: 31 -0.383147878132E+03 -0.48022E-04 -0.18157E-06 192 0.284E-03 0.107E-03
DAV: 32 -0.383147883919E+03 -0.57862E-05 -0.44608E-07 228 0.167E-03
1 F= -.38314788E+03 E0= -.38316501E+03 d E =0.513809E-01