iterations/neb0_image06_iter12_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 0.145138080069E+04 0.14514E+04 -0.44226E+04 330 0.697E+02
DAV: 2 0.227805949179E+03 -0.12236E+04 -0.11475E+04 426 0.163E+02
DAV: 3 -0.365342454081E+03 -0.59315E+03 -0.58984E+03 354 0.114E+02
DAV: 4 -0.433184238204E+03 -0.67842E+02 -0.67588E+02 318 0.490E+01
DAV: 5 -0.434667247126E+03 -0.14830E+01 -0.14806E+01 318 0.757E+00 0.427E+01
DAV: 6 -0.388828531045E+03 0.45839E+02 -0.14843E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385389666525E+03 0.34389E+01 -0.13329E+01 345 0.781E+00 0.104E+01
DAV: 8 -0.383944378841E+03 0.14453E+01 -0.24579E+00 345 0.391E+00 0.435E+00
DAV: 9 -0.383403682234E+03 0.54070E+00 -0.15008E+00 336 0.240E+00 0.126E+00
DAV: 10 -0.383320433455E+03 0.83249E-01 -0.15521E-01 327 0.112E+00 0.110E+00
DAV: 11 -0.383307037706E+03 0.13396E-01 -0.51115E-01 354 0.992E-01 0.766E-01
DAV: 12 -0.383281295970E+03 0.25742E-01 -0.45064E-02 327 0.490E-01 0.671E-01
DAV: 13 -0.383273559617E+03 0.77364E-02 -0.11059E-01 354 0.459E-01 0.865E-01
DAV: 14 -0.383252583934E+03 0.20976E-01 -0.47772E-02 381 0.494E-01 0.431E-01
DAV: 15 -0.383249508278E+03 0.30757E-02 -0.28999E-02 318 0.351E-01 0.210E-01
DAV: 16 -0.383252569757E+03 -0.30615E-02 -0.71624E-03 309 0.240E-01 0.241E-01
DAV: 17 -0.383259006769E+03 -0.64370E-02 -0.64448E-03 345 0.211E-01 0.152E-01
DAV: 18 -0.383274650518E+03 -0.15644E-01 -0.19998E-02 318 0.308E-01 0.555E-01
DAV: 19 -0.383272117725E+03 0.25328E-02 -0.56264E-03 327 0.139E-01 0.353E-01
DAV: 20 -0.383273644383E+03 -0.15267E-02 -0.63972E-04 327 0.666E-02 0.255E-01
DAV: 21 -0.383280984167E+03 -0.73398E-02 -0.14579E-03 300 0.965E-02 0.190E-01
DAV: 22 -0.383286597172E+03 -0.56130E-02 -0.12666E-03 381 0.860E-02 0.659E-02
DAV: 23 -0.383290266439E+03 -0.36693E-02 -0.31290E-04 309 0.465E-02 0.739E-02
DAV: 24 -0.383293921192E+03 -0.36548E-02 -0.20929E-04 318 0.303E-02 0.446E-02
DAV: 25 -0.383296876977E+03 -0.29558E-02 -0.51797E-04 309 0.363E-02 0.559E-02
DAV: 26 -0.383298361173E+03 -0.14842E-02 -0.14440E-04 309 0.257E-02 0.155E-02
DAV: 27 -0.383299495787E+03 -0.11346E-02 -0.12435E-04 318 0.212E-02 0.329E-02
DAV: 28 -0.383299828852E+03 -0.33306E-03 -0.15862E-05 273 0.930E-03 0.253E-02
DAV: 29 -0.383300125823E+03 -0.29697E-03 -0.20908E-05 246 0.885E-03 0.125E-02
DAV: 30 -0.383300329156E+03 -0.20333E-03 -0.76044E-06 219 0.640E-03 0.687E-03
DAV: 31 -0.383300393284E+03 -0.64128E-04 -0.46622E-06 237 0.432E-03 0.312E-03
DAV: 32 -0.383300445388E+03 -0.52104E-04 -0.17061E-06 201 0.310E-03 0.160E-03
DAV: 33 -0.383300502281E+03 -0.56893E-04 -0.25837E-06 210 0.329E-03 0.197E-03
DAV: 34 -0.383300505616E+03 -0.33354E-05 -0.58798E-07 237 0.177E-03
1 F= -.38330051E+03 E0= -.38331731E+03 d E =0.503982E-01