iterations/neb0_image03_iter58_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 0.144751269065E+04 0.14475E+04 -0.44193E+04 330 0.697E+02
DAV: 2 0.223950864951E+03 -0.12236E+04 -0.11475E+04 435 0.163E+02
DAV: 3 -0.362635959754E+03 -0.58659E+03 -0.58337E+03 345 0.114E+02
DAV: 4 -0.433293240083E+03 -0.70657E+02 -0.70420E+02 309 0.508E+01
DAV: 5 -0.434884152473E+03 -0.15909E+01 -0.15883E+01 318 0.783E+00 0.426E+01
DAV: 6 -0.389028337193E+03 0.45856E+02 -0.14780E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385568183160E+03 0.34602E+01 -0.13425E+01 345 0.776E+00 0.104E+01
DAV: 8 -0.384107281056E+03 0.14609E+01 -0.23669E+00 345 0.384E+00 0.437E+00
DAV: 9 -0.383577106665E+03 0.53017E+00 -0.20132E+00 354 0.244E+00 0.152E+00
DAV: 10 -0.383483071770E+03 0.94035E-01 -0.26108E-01 327 0.120E+00 0.102E+00
DAV: 11 -0.383457236286E+03 0.25835E-01 -0.95341E-02 327 0.755E-01 0.996E-01
DAV: 12 -0.383439795864E+03 0.17440E-01 -0.21675E-01 336 0.627E-01 0.945E-01
DAV: 13 -0.383423188387E+03 0.16607E-01 -0.11694E-01 345 0.491E-01 0.550E-01
DAV: 14 -0.383409873344E+03 0.13315E-01 -0.12964E-02 309 0.388E-01 0.287E-01
DAV: 15 -0.383405337029E+03 0.45363E-02 -0.15704E-02 309 0.400E-01 0.304E-01
DAV: 16 -0.383414022265E+03 -0.86852E-02 -0.10362E-02 318 0.328E-01 0.150E-01
DAV: 17 -0.383420413783E+03 -0.63915E-02 -0.32843E-03 318 0.160E-01 0.212E-01
DAV: 18 -0.383425310752E+03 -0.48970E-02 -0.14913E-03 354 0.997E-02 0.177E-01
DAV: 19 -0.383433680562E+03 -0.83698E-02 -0.14108E-03 318 0.106E-01 0.578E-02
DAV: 20 -0.383441240736E+03 -0.75602E-02 -0.95870E-04 309 0.911E-02 0.514E-02
DAV: 21 -0.383447855835E+03 -0.66151E-02 -0.65708E-04 327 0.713E-02 0.464E-02
DAV: 22 -0.383452499205E+03 -0.46434E-02 -0.23597E-04 318 0.392E-02 0.198E-02
DAV: 23 -0.383456007943E+03 -0.35087E-02 -0.24240E-04 318 0.331E-02 0.249E-02
DAV: 24 -0.383457634818E+03 -0.16269E-02 -0.70320E-05 318 0.166E-02 0.200E-02
DAV: 25 -0.383458311831E+03 -0.67701E-03 -0.25561E-05 264 0.118E-02 0.104E-02
DAV: 26 -0.383458852999E+03 -0.54117E-03 -0.29263E-05 264 0.124E-02 0.103E-02
DAV: 27 -0.383459004927E+03 -0.15193E-03 -0.38248E-06 237 0.620E-03 0.572E-03
DAV: 28 -0.383459127117E+03 -0.12219E-03 -0.45862E-06 210 0.496E-03 0.315E-03
DAV: 29 -0.383459206565E+03 -0.79449E-04 -0.20590E-06 219 0.319E-03 0.244E-03
DAV: 30 -0.383459245661E+03 -0.39095E-04 -0.11874E-06 228 0.238E-03 0.105E-03
DAV: 31 -0.383459274381E+03 -0.28720E-04 -0.92700E-07 210 0.187E-03 0.544E-04
DAV: 32 -0.383459286673E+03 -0.12292E-04 -0.59148E-07 219 0.178E-03 0.106E-03
DAV: 33 -0.383459291689E+03 -0.50153E-05 -0.23430E-07 228 0.114E-03
1 F= -.38345929E+03 E0= -.38347564E+03 d E =0.490465E-01