iterations/neb0_image01_iter54_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 0.144739788461E+04 0.14474E+04 -0.44192E+04 330 0.697E+02
DAV: 2 0.227807356972E+03 -0.12196E+04 -0.11425E+04 426 0.163E+02
DAV: 3 -0.362889224574E+03 -0.59070E+03 -0.58730E+03 345 0.114E+02
DAV: 4 -0.433514014799E+03 -0.70625E+02 -0.70356E+02 318 0.512E+01
DAV: 5 -0.435098505832E+03 -0.15845E+01 -0.15821E+01 318 0.783E+00 0.426E+01
DAV: 6 -0.389098390956E+03 0.46000E+02 -0.14806E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385624055538E+03 0.34743E+01 -0.13366E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.384154936807E+03 0.14691E+01 -0.22020E+00 327 0.383E+00 0.432E+00
DAV: 9 -0.383608100533E+03 0.54684E+00 -0.16020E+00 336 0.238E+00 0.127E+00
DAV: 10 -0.383530716656E+03 0.77384E-01 -0.16440E-01 318 0.108E+00 0.914E-01
DAV: 11 -0.383498175109E+03 0.32542E-01 -0.81633E-02 345 0.707E-01 0.631E-01
DAV: 12 -0.383480498539E+03 0.17677E-01 -0.22329E-02 327 0.514E-01 0.704E-01
DAV: 13 -0.383470583875E+03 0.99147E-02 -0.19848E-02 345 0.363E-01 0.546E-01
DAV: 14 -0.383466734554E+03 0.38493E-02 -0.55965E-02 327 0.506E-01 0.830E-01
DAV: 15 -0.383458211460E+03 0.85231E-02 -0.18865E-02 336 0.360E-01 0.240E-01
DAV: 16 -0.383463668901E+03 -0.54574E-02 -0.65239E-03 291 0.224E-01 0.199E-01
DAV: 17 -0.383467403331E+03 -0.37344E-02 -0.48420E-03 318 0.121E-01 0.136E-01
DAV: 18 -0.383479804884E+03 -0.12402E-01 -0.67365E-03 273 0.173E-01 0.172E-01
DAV: 19 -0.383484256435E+03 -0.44516E-02 -0.21916E-03 318 0.111E-01 0.936E-02
DAV: 20 -0.383495450236E+03 -0.11194E-01 -0.16005E-03 300 0.113E-01 0.104E-01
DAV: 21 -0.383500856049E+03 -0.54058E-02 -0.68101E-04 336 0.745E-02 0.486E-02
DAV: 22 -0.383504320988E+03 -0.34649E-02 -0.25766E-04 327 0.376E-02 0.327E-02
DAV: 23 -0.383508419694E+03 -0.40987E-02 -0.24381E-04 309 0.355E-02 0.189E-02
DAV: 24 -0.383510624435E+03 -0.22047E-02 -0.99747E-05 327 0.204E-02 0.197E-02
DAV: 25 -0.383511797187E+03 -0.11728E-02 -0.51919E-05 282 0.164E-02 0.177E-02
DAV: 26 -0.383512558428E+03 -0.76124E-03 -0.38439E-05 282 0.134E-02 0.620E-03
DAV: 27 -0.383513013326E+03 -0.45490E-03 -0.14056E-05 228 0.785E-03 0.429E-03
DAV: 28 -0.383513216878E+03 -0.20355E-03 -0.66596E-06 228 0.513E-03 0.303E-03
DAV: 29 -0.383513377232E+03 -0.16035E-03 -0.52856E-06 219 0.570E-03 0.289E-03
DAV: 30 -0.383513471147E+03 -0.93915E-04 -0.40003E-06 210 0.391E-03 0.216E-03
DAV: 31 -0.383513495066E+03 -0.23919E-04 -0.13845E-06 228 0.275E-03 0.110E-03
DAV: 32 -0.383513518496E+03 -0.23430E-04 -0.12340E-06 183 0.225E-03 0.883E-04
DAV: 33 -0.383513524812E+03 -0.63160E-05 -0.36513E-07 228 0.126E-03
1 F= -.38351352E+03 E0= -.38353012E+03 d E =0.497873E-01