iterations/neb0_image04_iter61_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 0.144791880902E+04 0.14479E+04 -0.44209E+04 330 0.697E+02
DAV: 2 0.230682169497E+03 -0.12172E+04 -0.11400E+04 417 0.163E+02
DAV: 3 -0.364477887139E+03 -0.59516E+03 -0.59185E+03 354 0.114E+02
DAV: 4 -0.433369223146E+03 -0.68891E+02 -0.68638E+02 309 0.496E+01
DAV: 5 -0.434914851477E+03 -0.15456E+01 -0.15431E+01 327 0.768E+00 0.426E+01
DAV: 6 -0.388984542262E+03 0.45930E+02 -0.14891E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385512473564E+03 0.34721E+01 -0.13130E+01 345 0.776E+00 0.104E+01
DAV: 8 -0.384032288029E+03 0.14802E+01 -0.18285E+00 336 0.377E+00 0.430E+00
DAV: 9 -0.383507028693E+03 0.52526E+00 -0.15868E+00 336 0.216E+00 0.111E+00
DAV: 10 -0.383434907317E+03 0.72121E-01 -0.12227E-01 327 0.940E-01 0.885E-01
DAV: 11 -0.383396291433E+03 0.38616E-01 -0.14118E-01 318 0.796E-01 0.759E-01
DAV: 12 -0.383378753882E+03 0.17538E-01 -0.24309E-02 327 0.501E-01 0.490E-01
DAV: 13 -0.383364659704E+03 0.14094E-01 -0.42043E-02 309 0.375E-01 0.515E-01
DAV: 14 -0.383365209739E+03 -0.55003E-03 -0.76931E-02 354 0.423E-01 0.577E-01
DAV: 15 -0.383359185200E+03 0.60245E-02 -0.11101E-02 300 0.335E-01 0.468E-01
DAV: 16 -0.383359080787E+03 0.10441E-03 -0.68514E-03 327 0.200E-01 0.369E-01
DAV: 17 -0.383364226901E+03 -0.51461E-02 -0.12148E-02 291 0.186E-01 0.150E-01
DAV: 18 -0.383375074371E+03 -0.10847E-01 -0.38685E-03 300 0.179E-01 0.123E-01
DAV: 19 -0.383385121129E+03 -0.10047E-01 -0.28479E-03 327 0.145E-01 0.956E-02
DAV: 20 -0.383393436353E+03 -0.83152E-02 -0.12940E-03 300 0.946E-02 0.391E-02
DAV: 21 -0.383399515959E+03 -0.60796E-02 -0.47272E-04 327 0.542E-02 0.392E-02
DAV: 22 -0.383404267832E+03 -0.47519E-02 -0.21850E-04 291 0.307E-02 0.212E-02
DAV: 23 -0.383408017454E+03 -0.37496E-02 -0.24386E-04 309 0.281E-02 0.165E-02
DAV: 24 -0.383409101487E+03 -0.10840E-02 -0.42483E-05 318 0.143E-02 0.121E-02
DAV: 25 -0.383410059385E+03 -0.95790E-03 -0.46784E-05 273 0.124E-02 0.996E-03
DAV: 26 -0.383410359740E+03 -0.30035E-03 -0.10749E-05 237 0.694E-03 0.472E-03
DAV: 27 -0.383410692977E+03 -0.33324E-03 -0.12539E-05 219 0.599E-03 0.311E-03
DAV: 28 -0.383410828884E+03 -0.13591E-03 -0.35023E-06 228 0.371E-03 0.359E-03
DAV: 29 -0.383410904926E+03 -0.76042E-04 -0.24892E-06 219 0.347E-03 0.124E-03
DAV: 30 -0.383410943745E+03 -0.38819E-04 -0.12899E-06 210 0.256E-03 0.189E-03
DAV: 31 -0.383410961891E+03 -0.18146E-04 -0.75832E-07 219 0.206E-03 0.134E-03
DAV: 32 -0.383410979320E+03 -0.17429E-04 -0.71610E-07 210 0.174E-03 0.889E-04
DAV: 33 -0.383410983183E+03 -0.38635E-05 -0.26474E-07 228 0.115E-03
1 F= -.38341098E+03 E0= -.38342786E+03 d E =0.506237E-01