iterations/neb0_image09_iter28_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 0.144992650413E+04 0.14499E+04 -0.44247E+04 330 0.697E+02
DAV: 2 0.229975511472E+03 -0.12200E+04 -0.11456E+04 426 0.163E+02
DAV: 3 -0.361783969088E+03 -0.59176E+03 -0.58716E+03 354 0.114E+02
DAV: 4 -0.432439956375E+03 -0.70656E+02 -0.70391E+02 318 0.496E+01
DAV: 5 -0.434031355602E+03 -0.15914E+01 -0.15886E+01 318 0.778E+00 0.426E+01
DAV: 6 -0.388406412321E+03 0.45625E+02 -0.14840E+02 309 0.287E+01 0.208E+01
DAV: 7 -0.384998812214E+03 0.34076E+01 -0.12563E+01 345 0.775E+00 0.104E+01
DAV: 8 -0.383560384737E+03 0.14384E+01 -0.22646E+00 336 0.383E+00 0.431E+00
DAV: 9 -0.382993607442E+03 0.56678E+00 -0.83160E-01 336 0.220E+00 0.108E+00
DAV: 10 -0.382921195355E+03 0.72412E-01 -0.11524E-01 327 0.961E-01 0.779E-01
DAV: 11 -0.382898490422E+03 0.22705E-01 -0.70305E-02 336 0.566E-01 0.699E-01
DAV: 12 -0.382880574143E+03 0.17916E-01 -0.92526E-02 354 0.447E-01 0.556E-01
DAV: 13 -0.382867967835E+03 0.12606E-01 -0.14026E-01 345 0.532E-01 0.731E-01
DAV: 14 -0.382857742687E+03 0.10225E-01 -0.72272E-02 327 0.459E-01 0.296E-01
DAV: 15 -0.382860605064E+03 -0.28624E-02 -0.84701E-03 318 0.270E-01 0.163E-01
DAV: 16 -0.382868161522E+03 -0.75565E-02 -0.40004E-03 300 0.197E-01 0.147E-01
DAV: 17 -0.382876878216E+03 -0.87167E-02 -0.25088E-03 309 0.161E-01 0.115E-01
DAV: 18 -0.382886006824E+03 -0.91286E-02 -0.20220E-03 309 0.149E-01 0.681E-02
DAV: 19 -0.382894764400E+03 -0.87576E-02 -0.12160E-03 318 0.100E-01 0.521E-02
DAV: 20 -0.382900706760E+03 -0.59424E-02 -0.33891E-04 318 0.474E-02 0.559E-02
DAV: 21 -0.382905415276E+03 -0.47085E-02 -0.27059E-04 318 0.368E-02 0.229E-02
DAV: 22 -0.382908207956E+03 -0.27927E-02 -0.13169E-04 318 0.263E-02 0.173E-02
DAV: 23 -0.382910684639E+03 -0.24767E-02 -0.13132E-04 273 0.212E-02 0.123E-02
DAV: 24 -0.382911482274E+03 -0.79764E-03 -0.23231E-05 255 0.106E-02 0.798E-03
DAV: 25 -0.382912193646E+03 -0.71137E-03 -0.36367E-05 264 0.108E-02 0.441E-03
DAV: 26 -0.382912339545E+03 -0.14590E-03 -0.28337E-06 228 0.560E-03 0.341E-03
DAV: 27 -0.382912551324E+03 -0.21178E-03 -0.12902E-05 219 0.860E-03 0.579E-03
DAV: 28 -0.382912581319E+03 -0.29995E-04 -0.13248E-06 228 0.458E-03 0.354E-03
DAV: 29 -0.382912631570E+03 -0.50250E-04 -0.51997E-06 192 0.651E-03 0.220E-03
DAV: 30 -0.382912659360E+03 -0.27790E-04 -0.10618E-06 210 0.365E-03 0.106E-03
DAV: 31 -0.382912676450E+03 -0.17089E-04 -0.11144E-06 219 0.262E-03 0.122E-03
DAV: 32 -0.382912687166E+03 -0.10717E-04 -0.32282E-07 210 0.135E-03 0.107E-03
DAV: 33 -0.382912694031E+03 -0.68642E-05 -0.27047E-07 210 0.165E-03
1 F= -.38291269E+03 E0= -.38292943E+03 d E =0.501968E-01