iterations/neb0_image04_iter56_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 0.144887687372E+04 0.14489E+04 -0.44211E+04 330 0.697E+02
DAV: 2 0.227244959760E+03 -0.12216E+04 -0.11450E+04 426 0.163E+02
DAV: 3 -0.365345814401E+03 -0.59259E+03 -0.58929E+03 354 0.114E+02
DAV: 4 -0.433453075849E+03 -0.68107E+02 -0.67873E+02 300 0.494E+01
DAV: 5 -0.434980245320E+03 -0.15272E+01 -0.15244E+01 336 0.761E+00 0.427E+01
DAV: 6 -0.389000453357E+03 0.45980E+02 -0.14892E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385524231883E+03 0.34762E+01 -0.13036E+01 345 0.775E+00 0.104E+01
DAV: 8 -0.384050340807E+03 0.14739E+01 -0.18447E+00 336 0.377E+00 0.428E+00
DAV: 9 -0.383514538579E+03 0.53580E+00 -0.14103E+00 336 0.209E+00 0.106E+00
DAV: 10 -0.383446771355E+03 0.67767E-01 -0.11117E-01 327 0.901E-01 0.881E-01
DAV: 11 -0.383415291475E+03 0.31480E-01 -0.21886E-01 354 0.827E-01 0.823E-01
DAV: 12 -0.383392567565E+03 0.22724E-01 -0.43641E-02 336 0.470E-01 0.659E-01
DAV: 13 -0.383382696117E+03 0.98714E-02 -0.80478E-02 327 0.381E-01 0.429E-01
DAV: 14 -0.383374767278E+03 0.79288E-02 -0.12332E-02 318 0.391E-01 0.435E-01
DAV: 15 -0.383375260959E+03 -0.49368E-03 -0.26993E-02 309 0.278E-01 0.143E-01
DAV: 16 -0.383385574207E+03 -0.10313E-01 -0.58258E-03 282 0.249E-01 0.140E-01
DAV: 17 -0.383397029414E+03 -0.11455E-01 -0.53528E-03 300 0.202E-01 0.115E-01
DAV: 18 -0.383405876002E+03 -0.88466E-02 -0.19459E-03 327 0.110E-01 0.691E-02
DAV: 19 -0.383411114931E+03 -0.52389E-02 -0.39543E-04 300 0.447E-02 0.366E-02
DAV: 20 -0.383418191896E+03 -0.70770E-02 -0.39535E-04 300 0.395E-02 0.322E-02
DAV: 21 -0.383422546687E+03 -0.43548E-02 -0.23724E-04 309 0.325E-02 0.172E-02
DAV: 22 -0.383425987717E+03 -0.34410E-02 -0.23464E-04 291 0.283E-02 0.245E-02
DAV: 23 -0.383426857289E+03 -0.86957E-03 -0.36222E-05 264 0.142E-02 0.955E-03
DAV: 24 -0.383427802617E+03 -0.94533E-03 -0.52223E-05 282 0.136E-02 0.793E-03
DAV: 25 -0.383428024539E+03 -0.22192E-03 -0.55535E-06 228 0.536E-03 0.371E-03
DAV: 26 -0.383428252736E+03 -0.22820E-03 -0.69984E-06 201 0.517E-03 0.194E-03
DAV: 27 -0.383428358142E+03 -0.10541E-03 -0.39065E-06 219 0.344E-03 0.190E-03
DAV: 28 -0.383428404747E+03 -0.46605E-04 -0.14764E-06 219 0.298E-03 0.102E-03
DAV: 29 -0.383428429590E+03 -0.24843E-04 -0.15781E-06 219 0.281E-03 0.175E-03
DAV: 30 -0.383428435989E+03 -0.63995E-05 -0.44218E-07 237 0.195E-03
1 F= -.38342844E+03 E0= -.38344158E+03 d E =0.394226E-01