iterations/neb0_image07_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 0.144803133338E+04 0.14480E+04 -0.44246E+04 330 0.697E+02
DAV: 2 0.232060469159E+03 -0.12160E+04 -0.11399E+04 417 0.163E+02
DAV: 3 -0.366535785124E+03 -0.59860E+03 -0.59481E+03 363 0.114E+02
DAV: 4 -0.432596394996E+03 -0.66061E+02 -0.65820E+02 309 0.476E+01
DAV: 5 -0.434028740322E+03 -0.14323E+01 -0.14298E+01 327 0.739E+00 0.427E+01
DAV: 6 -0.388119891459E+03 0.45909E+02 -0.14998E+02 309 0.287E+01 0.209E+01
DAV: 7 -0.384682961452E+03 0.34369E+01 -0.13208E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.383222025242E+03 0.14609E+01 -0.24433E+00 327 0.389E+00 0.442E+00
DAV: 9 -0.382684232467E+03 0.53779E+00 -0.17808E+00 354 0.245E+00 0.139E+00
DAV: 10 -0.382607777675E+03 0.76455E-01 -0.34161E-01 336 0.116E+00 0.111E+00
DAV: 11 -0.382585045775E+03 0.22732E-01 -0.25431E-01 327 0.676E-01 0.739E-01
DAV: 12 -0.382555436017E+03 0.29610E-01 -0.30485E-02 327 0.435E-01 0.555E-01
DAV: 13 -0.382538640983E+03 0.16795E-01 -0.15084E-02 363 0.611E-01 0.723E-01
DAV: 14 -0.382531911456E+03 0.67295E-02 -0.72826E-02 372 0.430E-01 0.416E-01
DAV: 15 -0.382529897746E+03 0.20137E-02 -0.17823E-02 318 0.289E-01 0.313E-01
DAV: 16 -0.382532288899E+03 -0.23912E-02 -0.15513E-02 309 0.282E-01 0.263E-01
DAV: 17 -0.382537610408E+03 -0.53215E-02 -0.41483E-03 309 0.214E-01 0.273E-01
DAV: 18 -0.382547012389E+03 -0.94020E-02 -0.45978E-03 309 0.183E-01 0.101E-01
DAV: 19 -0.382556441132E+03 -0.94287E-02 -0.26005E-03 318 0.153E-01 0.107E-01
DAV: 20 -0.382564296112E+03 -0.78550E-02 -0.10461E-03 327 0.904E-02 0.681E-02
DAV: 21 -0.382569880956E+03 -0.55848E-02 -0.27047E-04 318 0.389E-02 0.498E-02
DAV: 22 -0.382573829464E+03 -0.39485E-02 -0.22625E-04 354 0.349E-02 0.305E-02
DAV: 23 -0.382576796732E+03 -0.29673E-02 -0.14948E-04 318 0.250E-02 0.198E-02
DAV: 24 -0.382578299793E+03 -0.15031E-02 -0.51848E-05 300 0.153E-02 0.163E-02
DAV: 25 -0.382579507194E+03 -0.12074E-02 -0.58583E-05 300 0.149E-02 0.999E-03
DAV: 26 -0.382579879891E+03 -0.37270E-03 -0.16306E-05 237 0.916E-03 0.693E-03
DAV: 27 -0.382580091110E+03 -0.21122E-03 -0.67129E-06 219 0.604E-03 0.585E-03
DAV: 28 -0.382580212105E+03 -0.12099E-03 -0.35029E-06 219 0.464E-03 0.411E-03
DAV: 29 -0.382580295920E+03 -0.83815E-04 -0.50379E-06 210 0.573E-03 0.219E-03
DAV: 30 -0.382580311315E+03 -0.15395E-04 -0.12479E-06 228 0.274E-03 0.220E-03
DAV: 31 -0.382580325654E+03 -0.14339E-04 -0.58396E-07 192 0.187E-03 0.130E-03
DAV: 32 -0.382580348942E+03 -0.23288E-04 -0.58344E-07 201 0.171E-03 0.705E-04
DAV: 33 -0.382580360432E+03 -0.11489E-04 -0.40256E-07 219 0.137E-03 0.802E-04
DAV: 34 -0.382580365148E+03 -0.47159E-05 -0.19151E-07 210 0.962E-04
1 F= -.38258037E+03 E0= -.38259753E+03 d E =0.515008E-01