iterations/neb0_image01_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 0.144722961878E+04 0.14472E+04 -0.44194E+04 330 0.697E+02
DAV: 2 0.224156090647E+03 -0.12231E+04 -0.11459E+04 435 0.163E+02
DAV: 3 -0.363087333656E+03 -0.58724E+03 -0.58381E+03 345 0.114E+02
DAV: 4 -0.433516730582E+03 -0.70429E+02 -0.70154E+02 318 0.508E+01
DAV: 5 -0.435088765704E+03 -0.15720E+01 -0.15695E+01 318 0.779E+00 0.426E+01
DAV: 6 -0.389102490164E+03 0.45986E+02 -0.14807E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385629475447E+03 0.34730E+01 -0.13559E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.384150920519E+03 0.14786E+01 -0.21011E+00 327 0.382E+00 0.433E+00
DAV: 9 -0.383608967653E+03 0.54195E+00 -0.17356E+00 336 0.242E+00 0.139E+00
DAV: 10 -0.383542865140E+03 0.66103E-01 -0.34070E-01 318 0.115E+00 0.105E+00
DAV: 11 -0.383516957628E+03 0.25908E-01 -0.24064E-01 354 0.646E-01 0.986E-01
DAV: 12 -0.383492043104E+03 0.24915E-01 -0.23916E-01 327 0.698E-01 0.867E-01
DAV: 13 -0.383477517781E+03 0.14525E-01 -0.16607E-01 354 0.536E-01 0.724E-01
DAV: 14 -0.383464386719E+03 0.13131E-01 -0.31886E-02 354 0.394E-01 0.387E-01
DAV: 15 -0.383461830280E+03 0.25564E-02 -0.14039E-02 309 0.372E-01 0.252E-01
DAV: 16 -0.383467482049E+03 -0.56518E-02 -0.81102E-03 327 0.265E-01 0.207E-01
DAV: 17 -0.383474955644E+03 -0.74736E-02 -0.28014E-03 291 0.168E-01 0.165E-01
DAV: 18 -0.383483607520E+03 -0.86519E-02 -0.31041E-03 381 0.181E-01 0.149E-01
DAV: 19 -0.383491607497E+03 -0.80000E-02 -0.50559E-03 354 0.178E-01 0.173E-01
DAV: 20 -0.383493554996E+03 -0.19475E-02 -0.12179E-03 309 0.805E-02 0.124E-01
DAV: 21 -0.383496551267E+03 -0.29963E-02 -0.82410E-04 318 0.549E-02 0.125E-01
DAV: 22 -0.383502042229E+03 -0.54910E-02 -0.75703E-04 300 0.577E-02 0.601E-02
DAV: 23 -0.383505494100E+03 -0.34519E-02 -0.20498E-04 327 0.347E-02 0.362E-02
DAV: 24 -0.383508848424E+03 -0.33543E-02 -0.14518E-04 309 0.255E-02 0.199E-02
DAV: 25 -0.383511216738E+03 -0.23683E-02 -0.19613E-04 309 0.267E-02 0.257E-02
DAV: 26 -0.383512140853E+03 -0.92411E-03 -0.56608E-05 318 0.189E-02 0.193E-02
DAV: 27 -0.383512528443E+03 -0.38759E-03 -0.13743E-05 246 0.925E-03 0.943E-03
DAV: 28 -0.383513080830E+03 -0.55239E-03 -0.35719E-05 300 0.111E-02 0.590E-03
DAV: 29 -0.383513243812E+03 -0.16298E-03 -0.37213E-06 228 0.486E-03 0.504E-03
DAV: 30 -0.383513376394E+03 -0.13258E-03 -0.47505E-06 201 0.399E-03 0.353E-03
DAV: 31 -0.383513445665E+03 -0.69271E-04 -0.22583E-06 228 0.298E-03 0.270E-03
DAV: 32 -0.383513500738E+03 -0.55073E-04 -0.19669E-06 210 0.294E-03 0.193E-03
DAV: 33 -0.383513514269E+03 -0.13531E-04 -0.74573E-07 228 0.172E-03 0.145E-03
DAV: 34 -0.383513524503E+03 -0.10234E-04 -0.52982E-07 210 0.133E-03 0.111E-03
DAV: 35 -0.383513533802E+03 -0.92989E-05 -0.47967E-07 192 0.118E-03
1 F= -.38351353E+03 E0= -.38353021E+03 d E =0.500158E-01