iterations/neb0_image07_iter14_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 0.145234681683E+04 0.14523E+04 -0.44243E+04 330 0.697E+02
DAV: 2 0.229081712273E+03 -0.12233E+04 -0.11475E+04 426 0.163E+02
DAV: 3 -0.361096821683E+03 -0.59018E+03 -0.58677E+03 345 0.114E+02
DAV: 4 -0.432901352222E+03 -0.71805E+02 -0.71538E+02 318 0.512E+01
DAV: 5 -0.434523019861E+03 -0.16217E+01 -0.16190E+01 318 0.793E+00 0.427E+01
DAV: 6 -0.388698389409E+03 0.45825E+02 -0.14727E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385230814637E+03 0.34676E+01 -0.13222E+01 345 0.783E+00 0.104E+01
DAV: 8 -0.383803106651E+03 0.14277E+01 -0.27653E+00 336 0.396E+00 0.438E+00
DAV: 9 -0.383271621659E+03 0.53148E+00 -0.14856E+00 336 0.241E+00 0.133E+00
DAV: 10 -0.383171809660E+03 0.99812E-01 -0.17516E-01 327 0.119E+00 0.103E+00
DAV: 11 -0.383169052093E+03 0.27576E-02 -0.50789E-01 372 0.115E+00 0.931E-01
DAV: 12 -0.383139648936E+03 0.29403E-01 -0.13426E-01 318 0.639E-01 0.889E-01
DAV: 13 -0.383127942453E+03 0.11706E-01 -0.67796E-02 345 0.328E-01 0.727E-01
DAV: 14 -0.383121375585E+03 0.65669E-02 -0.53178E-02 408 0.420E-01 0.597E-01
DAV: 15 -0.383111356674E+03 0.10019E-01 -0.19574E-02 318 0.423E-01 0.657E-01
DAV: 16 -0.383103621601E+03 0.77351E-02 -0.44006E-02 327 0.339E-01 0.205E-01
DAV: 17 -0.383108081147E+03 -0.44595E-02 -0.65892E-03 309 0.228E-01 0.149E-01
DAV: 18 -0.383116874528E+03 -0.87934E-02 -0.26719E-03 291 0.200E-01 0.126E-01
DAV: 19 -0.383129711937E+03 -0.12837E-01 -0.38864E-03 309 0.203E-01 0.102E-01
DAV: 20 -0.383137838017E+03 -0.81261E-02 -0.24261E-03 327 0.127E-01 0.777E-02
DAV: 21 -0.383142878313E+03 -0.50403E-02 -0.46481E-04 327 0.507E-02 0.935E-02
DAV: 22 -0.383147636560E+03 -0.47582E-02 -0.31789E-04 309 0.464E-02 0.564E-02
DAV: 23 -0.383151440613E+03 -0.38041E-02 -0.38290E-04 354 0.378E-02 0.344E-02
DAV: 24 -0.383153911167E+03 -0.24706E-02 -0.18659E-04 309 0.292E-02 0.195E-02
DAV: 25 -0.383155080995E+03 -0.11698E-02 -0.56860E-05 300 0.158E-02 0.128E-02
DAV: 26 -0.383156253489E+03 -0.11725E-02 -0.58347E-05 273 0.138E-02 0.106E-02
DAV: 27 -0.383156766409E+03 -0.51292E-03 -0.21448E-05 237 0.824E-03 0.650E-03
DAV: 28 -0.383156982504E+03 -0.21610E-03 -0.71377E-06 228 0.524E-03 0.645E-03
DAV: 29 -0.383157111134E+03 -0.12863E-03 -0.51273E-06 210 0.494E-03 0.268E-03
DAV: 30 -0.383157174872E+03 -0.63738E-04 -0.26314E-06 219 0.355E-03 0.134E-03
DAV: 31 -0.383157210428E+03 -0.35556E-04 -0.14555E-06 210 0.253E-03 0.185E-03
DAV: 32 -0.383157234278E+03 -0.23850E-04 -0.94143E-07 210 0.177E-03 0.983E-04
DAV: 33 -0.383157249442E+03 -0.15164E-04 -0.72465E-07 210 0.155E-03 0.529E-04
DAV: 34 -0.383157253147E+03 -0.37052E-05 -0.23431E-07 237 0.897E-04
1 F= -.38315725E+03 E0= -.38317407E+03 d E =0.504525E-01