iterations/neb0_image08_iter6_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 0.145263078539E+04 0.14526E+04 -0.44255E+04 330 0.697E+02
DAV: 2 0.230697000109E+03 -0.12219E+04 -0.11464E+04 426 0.163E+02
DAV: 3 -0.359921196709E+03 -0.59062E+03 -0.58723E+03 345 0.114E+02
DAV: 4 -0.432350479574E+03 -0.72429E+02 -0.72131E+02 318 0.513E+01
DAV: 5 -0.433994541230E+03 -0.16441E+01 -0.16412E+01 318 0.797E+00 0.427E+01
DAV: 6 -0.388301442189E+03 0.45693E+02 -0.14646E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.384839465197E+03 0.34620E+01 -0.13295E+01 345 0.786E+00 0.104E+01
DAV: 8 -0.383415007852E+03 0.14245E+01 -0.27501E+00 336 0.400E+00 0.433E+00
DAV: 9 -0.382862147030E+03 0.55286E+00 -0.99208E-01 336 0.222E+00 0.137E+00
DAV: 10 -0.382797915625E+03 0.64231E-01 -0.19733E-01 336 0.122E+00 0.945E-01
DAV: 11 -0.382758192308E+03 0.39723E-01 -0.73757E-02 318 0.642E-01 0.655E-01
DAV: 12 -0.382748145940E+03 0.10046E-01 -0.64319E-02 354 0.495E-01 0.540E-01
DAV: 13 -0.382729357310E+03 0.18789E-01 -0.21831E-02 309 0.436E-01 0.483E-01
DAV: 14 -0.382721688594E+03 0.76687E-02 -0.13621E-02 327 0.407E-01 0.338E-01
DAV: 15 -0.382723384335E+03 -0.16957E-02 -0.11288E-02 327 0.303E-01 0.200E-01
DAV: 16 -0.382730776133E+03 -0.73918E-02 -0.39093E-03 300 0.219E-01 0.225E-01
DAV: 17 -0.382740136478E+03 -0.93603E-02 -0.39135E-03 300 0.214E-01 0.197E-01
DAV: 18 -0.382745931421E+03 -0.57949E-02 -0.37498E-03 318 0.150E-01 0.142E-01
DAV: 19 -0.382753961682E+03 -0.80303E-02 -0.23558E-03 300 0.120E-01 0.672E-02
DAV: 20 -0.382759455707E+03 -0.54940E-02 -0.55255E-04 318 0.631E-02 0.646E-02
DAV: 21 -0.382765485211E+03 -0.60295E-02 -0.33376E-04 318 0.414E-02 0.287E-02
DAV: 22 -0.382770651031E+03 -0.51658E-02 -0.29229E-04 318 0.360E-02 0.289E-02
DAV: 23 -0.382772854952E+03 -0.22039E-02 -0.10572E-04 327 0.219E-02 0.106E-02
DAV: 24 -0.382774433421E+03 -0.15785E-02 -0.74616E-05 300 0.166E-02 0.103E-02
DAV: 25 -0.382775181024E+03 -0.74760E-03 -0.28779E-05 264 0.112E-02 0.809E-03
DAV: 26 -0.382775513904E+03 -0.33288E-03 -0.15536E-05 228 0.996E-03 0.495E-03
DAV: 27 -0.382775634952E+03 -0.12105E-03 -0.46234E-06 237 0.503E-03 0.407E-03
DAV: 28 -0.382775733000E+03 -0.98047E-04 -0.28386E-06 192 0.434E-03 0.188E-03
DAV: 29 -0.382775803070E+03 -0.70070E-04 -0.29742E-06 219 0.423E-03 0.193E-03
DAV: 30 -0.382775831361E+03 -0.28291E-04 -0.97851E-07 210 0.264E-03 0.154E-03
DAV: 31 -0.382775852557E+03 -0.21196E-04 -0.13827E-06 219 0.297E-03 0.122E-03
DAV: 32 -0.382775858740E+03 -0.61830E-05 -0.38945E-07 219 0.226E-03
1 F= -.38277586E+03 E0= -.38279293E+03 d E =0.512107E-01