iterations/neb0_image04_iter3_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 0.144951938340E+04 0.14495E+04 -0.44200E+04 330 0.697E+02
DAV: 2 0.225419009224E+03 -0.12241E+04 -0.11496E+04 435 0.163E+02
DAV: 3 -0.362282460552E+03 -0.58770E+03 -0.58436E+03 345 0.114E+02
DAV: 4 -0.433278381546E+03 -0.70996E+02 -0.70734E+02 318 0.509E+01
DAV: 5 -0.434866744526E+03 -0.15884E+01 -0.15859E+01 318 0.785E+00 0.426E+01
DAV: 6 -0.389011376745E+03 0.45855E+02 -0.14753E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385565025986E+03 0.34464E+01 -0.13546E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.384105552796E+03 0.14595E+01 -0.22577E+00 327 0.387E+00 0.435E+00
DAV: 9 -0.383563669620E+03 0.54188E+00 -0.16439E+00 327 0.243E+00 0.131E+00
DAV: 10 -0.383483960198E+03 0.79709E-01 -0.16752E-01 327 0.113E+00 0.917E-01
DAV: 11 -0.383450819019E+03 0.33141E-01 -0.87973E-02 345 0.775E-01 0.733E-01
DAV: 12 -0.383435135701E+03 0.15683E-01 -0.83425E-02 336 0.550E-01 0.590E-01
DAV: 13 -0.383428276445E+03 0.68593E-02 -0.10315E-01 327 0.401E-01 0.821E-01
DAV: 14 -0.383415167795E+03 0.13109E-01 -0.13186E-01 363 0.429E-01 0.455E-01
DAV: 15 -0.383412480115E+03 0.26877E-02 -0.13812E-02 318 0.366E-01 0.235E-01
DAV: 16 -0.383420634084E+03 -0.81540E-02 -0.77135E-03 309 0.265E-01 0.194E-01
DAV: 17 -0.383428978422E+03 -0.83443E-02 -0.54305E-03 354 0.200E-01 0.225E-01
DAV: 18 -0.383434811699E+03 -0.58333E-02 -0.20894E-03 363 0.138E-01 0.141E-01
DAV: 19 -0.383442081725E+03 -0.72700E-02 -0.17846E-03 309 0.119E-01 0.153E-01
DAV: 20 -0.383442933827E+03 -0.85210E-03 -0.15010E-03 336 0.671E-02 0.811E-02
DAV: 21 -0.383449039343E+03 -0.61055E-02 -0.63994E-04 300 0.666E-02 0.393E-02
DAV: 22 -0.383454169282E+03 -0.51299E-02 -0.39771E-04 327 0.406E-02 0.280E-02
DAV: 23 -0.383458887780E+03 -0.47185E-02 -0.23987E-04 291 0.306E-02 0.226E-02
DAV: 24 -0.383461957515E+03 -0.30697E-02 -0.16621E-04 309 0.248E-02 0.191E-02
DAV: 25 -0.383463143445E+03 -0.11859E-02 -0.64642E-05 318 0.180E-02 0.822E-03
DAV: 26 -0.383463766657E+03 -0.62321E-03 -0.19153E-05 246 0.993E-03 0.111E-02
DAV: 27 -0.383464303060E+03 -0.53640E-03 -0.25667E-05 246 0.914E-03 0.546E-03
DAV: 28 -0.383464456155E+03 -0.15309E-03 -0.56135E-06 237 0.562E-03 0.370E-03
DAV: 29 -0.383464567088E+03 -0.11093E-03 -0.46715E-06 210 0.493E-03 0.248E-03
DAV: 30 -0.383464620779E+03 -0.53690E-04 -0.18592E-06 228 0.284E-03 0.160E-03
DAV: 31 -0.383464674564E+03 -0.53785E-04 -0.21834E-06 219 0.352E-03 0.248E-03
DAV: 32 -0.383464702286E+03 -0.27723E-04 -0.13663E-06 210 0.230E-03 0.137E-03
DAV: 33 -0.383464707127E+03 -0.48403E-05 -0.47106E-07 237 0.156E-03
1 F= -.38346471E+03 E0= -.38348149E+03 d E =0.503501E-01