iterations/neb0_image09_iter53_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 0.143840826515E+04 0.14384E+04 -0.44155E+04 330 0.697E+02
DAV: 2 0.231673924995E+03 -0.12067E+04 -0.11309E+04 417 0.162E+02
DAV: 3 -0.356815704854E+03 -0.58849E+03 -0.58463E+03 363 0.114E+02
DAV: 4 -0.426234841813E+03 -0.69419E+02 -0.69078E+02 309 0.492E+01
DAV: 5 -0.427859835193E+03 -0.16250E+01 -0.16219E+01 327 0.773E+00 0.421E+01
DAV: 6 -0.383354777824E+03 0.44505E+02 -0.14782E+02 309 0.285E+01 0.206E+01
DAV: 7 -0.380022324282E+03 0.33325E+01 -0.11490E+01 336 0.780E+00 0.102E+01
DAV: 8 -0.378595210382E+03 0.14271E+01 -0.18464E+00 327 0.375E+00 0.414E+00
DAV: 9 -0.378048034995E+03 0.54718E+00 -0.59141E-01 336 0.192E+00 0.921E-01
DAV: 10 -0.377994937099E+03 0.53098E-01 -0.79326E-02 345 0.856E-01 0.646E-01
DAV: 11 -0.377960930719E+03 0.34006E-01 -0.30580E-02 327 0.508E-01 0.383E-01
DAV: 12 -0.377940463087E+03 0.20468E-01 -0.15871E-02 336 0.442E-01 0.202E-01
DAV: 13 -0.377937036631E+03 0.34265E-02 -0.14358E-02 318 0.398E-01 0.146E-01
DAV: 14 -0.377948423457E+03 -0.11387E-01 -0.69565E-03 309 0.275E-01 0.975E-02
DAV: 15 -0.377959696286E+03 -0.11273E-01 -0.38137E-03 318 0.202E-01 0.549E-02
DAV: 16 -0.377967333408E+03 -0.76371E-02 -0.16338E-03 336 0.111E-01 0.515E-02
DAV: 17 -0.377974864464E+03 -0.75311E-02 -0.38417E-04 336 0.452E-02 0.365E-02
DAV: 18 -0.377984395728E+03 -0.95313E-02 -0.71257E-04 291 0.521E-02 0.209E-02
DAV: 19 -0.377987661257E+03 -0.32655E-02 -0.16579E-04 327 0.265E-02 0.179E-02
DAV: 20 -0.377989522654E+03 -0.18614E-02 -0.10720E-04 318 0.235E-02 0.102E-02
DAV: 21 -0.377990331883E+03 -0.80923E-03 -0.19982E-05 246 0.124E-02 0.592E-03
DAV: 22 -0.377991101165E+03 -0.76928E-03 -0.29906E-05 264 0.957E-03 0.369E-03
DAV: 23 -0.377991513796E+03 -0.41263E-03 -0.11919E-05 219 0.825E-03 0.236E-03
DAV: 24 -0.377991717861E+03 -0.20406E-03 -0.88164E-06 219 0.589E-03 0.265E-03
DAV: 25 -0.377991786106E+03 -0.68245E-04 -0.33189E-06 228 0.562E-03 0.129E-03
DAV: 26 -0.377991846748E+03 -0.60641E-04 -0.38301E-06 210 0.477E-03 0.217E-03
DAV: 27 -0.377991857512E+03 -0.10764E-04 -0.10340E-06 219 0.263E-03 0.153E-03
DAV: 28 -0.377991872113E+03 -0.14601E-04 -0.11875E-06 210 0.293E-03 0.649E-04
DAV: 29 -0.377991878114E+03 -0.60004E-05 -0.33856E-07 219 0.174E-03
1 F= -.37799188E+03 E0= -.37799574E+03 d E =0.115961E-01