iterations/neb0_image05_iter61_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 0.144594608150E+04 0.14459E+04 -0.44219E+04 330 0.697E+02
DAV: 2 0.230083356106E+03 -0.12159E+04 -0.11392E+04 417 0.163E+02
DAV: 3 -0.364174488224E+03 -0.59426E+03 -0.59112E+03 354 0.114E+02
DAV: 4 -0.432953716772E+03 -0.68779E+02 -0.68520E+02 309 0.496E+01
DAV: 5 -0.434514083733E+03 -0.15604E+01 -0.15576E+01 327 0.772E+00 0.426E+01
DAV: 6 -0.388696231634E+03 0.45818E+02 -0.14930E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385235373566E+03 0.34609E+01 -0.12967E+01 345 0.772E+00 0.104E+01
DAV: 8 -0.383763454980E+03 0.14719E+01 -0.18893E+00 327 0.378E+00 0.429E+00
DAV: 9 -0.383224507114E+03 0.53895E+00 -0.13655E+00 336 0.212E+00 0.104E+00
DAV: 10 -0.383159147131E+03 0.65360E-01 -0.10959E-01 336 0.906E-01 0.865E-01
DAV: 11 -0.383122528023E+03 0.36619E-01 -0.12468E-01 354 0.772E-01 0.737E-01
DAV: 12 -0.383100665722E+03 0.21862E-01 -0.79356E-02 318 0.494E-01 0.436E-01
DAV: 13 -0.383092369092E+03 0.82966E-02 -0.12073E-01 309 0.452E-01 0.677E-01
DAV: 14 -0.383084122958E+03 0.82461E-02 -0.31628E-02 318 0.319E-01 0.285E-01
DAV: 15 -0.383089407219E+03 -0.52843E-02 -0.62488E-03 327 0.250E-01 0.160E-01
DAV: 16 -0.383101132355E+03 -0.11725E-01 -0.56002E-03 309 0.238E-01 0.167E-01
DAV: 17 -0.383108615810E+03 -0.74835E-02 -0.33176E-03 345 0.171E-01 0.114E-01
DAV: 18 -0.383113032322E+03 -0.44165E-02 -0.36080E-04 363 0.981E-02 0.894E-02
DAV: 19 -0.383117685753E+03 -0.46534E-02 -0.48752E-04 336 0.860E-02 0.742E-02
DAV: 20 -0.383121927892E+03 -0.42421E-02 -0.49903E-04 300 0.570E-02 0.599E-02
DAV: 21 -0.383124711734E+03 -0.27838E-02 -0.33055E-04 345 0.457E-02 0.438E-02
DAV: 22 -0.383130556315E+03 -0.58446E-02 -0.36118E-04 279 0.717E-02 0.724E-02
DAV: 23 -0.383131461453E+03 -0.90514E-03 -0.86069E-05 327 0.334E-02 0.187E-02
DAV: 24 -0.383134763329E+03 -0.33019E-02 -0.22939E-04 270 0.279E-02 0.182E-02
DAV: 25 -0.383136159851E+03 -0.13965E-02 -0.66364E-05 318 0.175E-02 0.157E-02
DAV: 26 -0.383137095222E+03 -0.93537E-03 -0.44061E-05 291 0.136E-02 0.133E-02
DAV: 27 -0.383137323903E+03 -0.22868E-03 -0.10566E-05 246 0.791E-03 0.900E-03
DAV: 28 -0.383137683403E+03 -0.35950E-03 -0.18471E-05 246 0.110E-02 0.991E-03
DAV: 29 -0.383137832558E+03 -0.14916E-03 -0.66942E-06 237 0.585E-03 0.774E-03
DAV: 30 -0.383137932921E+03 -0.10036E-03 -0.47814E-06 219 0.519E-03 0.261E-03
DAV: 31 -0.383137979895E+03 -0.46973E-04 -0.20246E-06 219 0.298E-03 0.142E-03
DAV: 32 -0.383138002931E+03 -0.23036E-04 -0.79259E-07 228 0.172E-03 0.135E-03
DAV: 33 -0.383138026108E+03 -0.23178E-04 -0.66261E-07 201 0.182E-03 0.894E-04
DAV: 34 -0.383138036334E+03 -0.10226E-04 -0.46668E-07 210 0.121E-03 0.419E-04
DAV: 35 -0.383138040287E+03 -0.39523E-05 -0.20684E-07 228 0.879E-04
1 F= -.38313804E+03 E0= -.38315508E+03 d E =0.511291E-01