iterations/neb0_image08_iter28_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 0.144994914885E+04 0.14499E+04 -0.44239E+04 330 0.697E+02
DAV: 2 0.228515733113E+03 -0.12214E+04 -0.11459E+04 426 0.163E+02
DAV: 3 -0.360478287026E+03 -0.58899E+03 -0.58535E+03 345 0.114E+02
DAV: 4 -0.432643692954E+03 -0.72165E+02 -0.71880E+02 318 0.512E+01
DAV: 5 -0.434293775706E+03 -0.16501E+01 -0.16474E+01 318 0.797E+00 0.426E+01
DAV: 6 -0.388641714930E+03 0.45652E+02 -0.14760E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385223590890E+03 0.34181E+01 -0.12955E+01 345 0.778E+00 0.104E+01
DAV: 8 -0.383762493284E+03 0.14611E+01 -0.18627E+00 336 0.380E+00 0.431E+00
DAV: 9 -0.383240730670E+03 0.52176E+00 -0.16119E+00 336 0.228E+00 0.112E+00
DAV: 10 -0.383166004209E+03 0.74726E-01 -0.13744E-01 327 0.100E+00 0.888E-01
DAV: 11 -0.383122079596E+03 0.43925E-01 -0.98294E-02 336 0.750E-01 0.639E-01
DAV: 12 -0.383105952324E+03 0.16127E-01 -0.49021E-02 363 0.514E-01 0.553E-01
DAV: 13 -0.383090561865E+03 0.15390E-01 -0.10354E-02 336 0.358E-01 0.272E-01
DAV: 14 -0.383085770501E+03 0.47914E-02 -0.32839E-02 318 0.394E-01 0.485E-01
DAV: 15 -0.383087668774E+03 -0.18983E-02 -0.49877E-02 363 0.335E-01 0.338E-01
DAV: 16 -0.383090670427E+03 -0.30017E-02 -0.53438E-03 300 0.219E-01 0.182E-01
DAV: 17 -0.383098171518E+03 -0.75011E-02 -0.43627E-03 300 0.188E-01 0.169E-01
DAV: 18 -0.383105912392E+03 -0.77409E-02 -0.21683E-03 300 0.140E-01 0.168E-01
DAV: 19 -0.383115923160E+03 -0.10011E-01 -0.25182E-03 300 0.142E-01 0.652E-02
DAV: 20 -0.383121943450E+03 -0.60203E-02 -0.97593E-04 327 0.837E-02 0.387E-02
DAV: 21 -0.383125421620E+03 -0.34782E-02 -0.15642E-04 309 0.294E-02 0.316E-02
DAV: 22 -0.383131739153E+03 -0.63175E-02 -0.38054E-04 273 0.365E-02 0.351E-02
DAV: 23 -0.383134763153E+03 -0.30240E-02 -0.19237E-04 336 0.256E-02 0.131E-02
DAV: 24 -0.383136048405E+03 -0.12853E-02 -0.56054E-05 300 0.165E-02 0.928E-03
DAV: 25 -0.383136912210E+03 -0.86380E-03 -0.37179E-05 273 0.123E-02 0.829E-03
DAV: 26 -0.383137283041E+03 -0.37083E-03 -0.86157E-06 219 0.801E-03 0.588E-03
DAV: 27 -0.383137560253E+03 -0.27721E-03 -0.18175E-05 237 0.991E-03 0.449E-03
DAV: 28 -0.383137609820E+03 -0.49566E-04 -0.22343E-06 246 0.490E-03 0.287E-03
DAV: 29 -0.383137703531E+03 -0.93711E-04 -0.35972E-06 192 0.477E-03 0.263E-03
DAV: 30 -0.383137752019E+03 -0.48488E-04 -0.13602E-06 219 0.314E-03 0.217E-03
DAV: 31 -0.383137776265E+03 -0.24246E-04 -0.14998E-06 219 0.336E-03 0.172E-03
DAV: 32 -0.383137786673E+03 -0.10408E-04 -0.44800E-07 219 0.215E-03 0.825E-04
DAV: 33 -0.383137799273E+03 -0.12601E-04 -0.70971E-07 201 0.201E-03 0.158E-03
DAV: 34 -0.383137805290E+03 -0.60169E-05 -0.29952E-07 219 0.201E-03
1 F= -.38313781E+03 E0= -.38315493E+03 d E =0.513723E-01