iterations/neb0_image03_iter74_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 0.145141337535E+04 0.14514E+04 -0.44205E+04 330 0.697E+02
DAV: 2 0.225763195245E+03 -0.12257E+04 -0.11502E+04 435 0.163E+02
DAV: 3 -0.362269190811E+03 -0.58803E+03 -0.58430E+03 345 0.114E+02
DAV: 4 -0.433438216232E+03 -0.71169E+02 -0.70916E+02 318 0.510E+01
DAV: 5 -0.435026149325E+03 -0.15879E+01 -0.15855E+01 318 0.785E+00 0.427E+01
DAV: 6 -0.388726060355E+03 0.46300E+02 -0.14868E+02 309 0.287E+01 0.208E+01
DAV: 7 -0.385239149464E+03 0.34869E+01 -0.13566E+01 336 0.784E+00 0.104E+01
DAV: 8 -0.383777246188E+03 0.14619E+01 -0.22121E+00 345 0.383E+00 0.437E+00
DAV: 9 -0.383225662911E+03 0.55158E+00 -0.15608E+00 345 0.234E+00 0.127E+00
DAV: 10 -0.383147133690E+03 0.78529E-01 -0.17479E-01 327 0.108E+00 0.897E-01
DAV: 11 -0.383118620188E+03 0.28514E-01 -0.11443E-01 336 0.657E-01 0.710E-01
DAV: 12 -0.383106693670E+03 0.11927E-01 -0.17876E-01 345 0.621E-01 0.788E-01
DAV: 13 -0.383093178531E+03 0.13515E-01 -0.12716E-01 363 0.479E-01 0.686E-01
DAV: 14 -0.383082098303E+03 0.11080E-01 -0.71013E-02 318 0.374E-01 0.377E-01
DAV: 15 -0.383082373090E+03 -0.27479E-03 -0.55523E-02 318 0.427E-01 0.557E-01
DAV: 16 -0.383081255521E+03 0.11176E-02 -0.49649E-02 327 0.276E-01 0.222E-01
DAV: 17 -0.383089125420E+03 -0.78699E-02 -0.31282E-03 282 0.156E-01 0.163E-01
DAV: 18 -0.383102084394E+03 -0.12959E-01 -0.42132E-03 318 0.215E-01 0.118E-01
DAV: 19 -0.383110211469E+03 -0.81271E-02 -0.20597E-03 309 0.130E-01 0.958E-02
DAV: 20 -0.383117386808E+03 -0.71753E-02 -0.60764E-04 309 0.644E-02 0.651E-02
DAV: 21 -0.383121118643E+03 -0.37318E-02 -0.14661E-04 336 0.322E-02 0.413E-02
DAV: 22 -0.383125812625E+03 -0.46940E-02 -0.23750E-04 309 0.341E-02 0.225E-02
DAV: 23 -0.383129139242E+03 -0.33266E-02 -0.18402E-04 300 0.257E-02 0.177E-02
DAV: 24 -0.383130522115E+03 -0.13829E-02 -0.67689E-05 327 0.184E-02 0.211E-02
DAV: 25 -0.383131375336E+03 -0.85322E-03 -0.33080E-05 255 0.133E-02 0.133E-02
DAV: 26 -0.383131740188E+03 -0.36485E-03 -0.22676E-05 273 0.111E-02 0.683E-03
DAV: 27 -0.383131983375E+03 -0.24319E-03 -0.65658E-06 210 0.678E-03 0.406E-03
DAV: 28 -0.383132109445E+03 -0.12607E-03 -0.64420E-06 228 0.640E-03 0.273E-03
DAV: 29 -0.383132199323E+03 -0.89878E-04 -0.25193E-06 210 0.368E-03 0.266E-03
DAV: 30 -0.383132239786E+03 -0.40463E-04 -0.16194E-06 219 0.327E-03 0.159E-03
DAV: 31 -0.383132269632E+03 -0.29846E-04 -0.18369E-06 210 0.352E-03 0.159E-03
DAV: 32 -0.383132277052E+03 -0.74202E-05 -0.51836E-07 228 0.168E-03
1 F= -.38313228E+03 E0= -.38314495E+03 d E =0.380050E-01