iterations/neb0_image08_iter12_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 0.145377463258E+04 0.14538E+04 -0.44264E+04 330 0.697E+02
DAV: 2 0.230803520456E+03 -0.12230E+04 -0.11477E+04 426 0.163E+02
DAV: 3 -0.360292970014E+03 -0.59110E+03 -0.58767E+03 345 0.114E+02
DAV: 4 -0.432746829334E+03 -0.72454E+02 -0.72161E+02 318 0.513E+01
DAV: 5 -0.434387142789E+03 -0.16403E+01 -0.16375E+01 318 0.797E+00 0.427E+01
DAV: 6 -0.388493486923E+03 0.45894E+02 -0.14729E+02 309 0.286E+01 0.209E+01
DAV: 7 -0.385020668797E+03 0.34728E+01 -0.13301E+01 345 0.788E+00 0.104E+01
DAV: 8 -0.383592581176E+03 0.14281E+01 -0.26676E+00 345 0.397E+00 0.434E+00
DAV: 9 -0.383040782543E+03 0.55180E+00 -0.10172E+00 327 0.228E+00 0.123E+00
DAV: 10 -0.382960504740E+03 0.80278E-01 -0.19859E-01 327 0.114E+00 0.816E-01
DAV: 11 -0.382934127370E+03 0.26377E-01 -0.58911E-02 345 0.569E-01 0.695E-01
DAV: 12 -0.382922236944E+03 0.11890E-01 -0.51916E-02 372 0.483E-01 0.562E-01
DAV: 13 -0.382899058609E+03 0.23178E-01 -0.18660E-02 309 0.470E-01 0.362E-01
DAV: 14 -0.382896428948E+03 0.26297E-02 -0.18258E-02 336 0.427E-01 0.259E-01
DAV: 15 -0.382902827068E+03 -0.63981E-02 -0.72215E-03 309 0.341E-01 0.190E-01
DAV: 16 -0.382909623438E+03 -0.67964E-02 -0.31626E-03 345 0.200E-01 0.185E-01
DAV: 17 -0.382917784018E+03 -0.81606E-02 -0.48295E-03 309 0.139E-01 0.168E-01
DAV: 18 -0.382922460744E+03 -0.46767E-02 -0.37617E-03 309 0.115E-01 0.887E-02
DAV: 19 -0.382929050440E+03 -0.65897E-02 -0.15401E-03 309 0.907E-02 0.827E-02
DAV: 20 -0.382933982513E+03 -0.49321E-02 -0.99926E-04 309 0.628E-02 0.719E-02
DAV: 21 -0.382940043071E+03 -0.60606E-02 -0.44093E-04 309 0.633E-02 0.386E-02
DAV: 22 -0.382943515866E+03 -0.34728E-02 -0.21917E-04 309 0.357E-02 0.177E-02
DAV: 23 -0.382945835684E+03 -0.23198E-02 -0.12044E-04 318 0.219E-02 0.194E-02
DAV: 24 -0.382947529498E+03 -0.16938E-02 -0.61839E-05 273 0.149E-02 0.160E-02
DAV: 25 -0.382948646974E+03 -0.11175E-02 -0.68053E-05 291 0.152E-02 0.616E-03
DAV: 26 -0.382948901808E+03 -0.25483E-03 -0.56840E-06 228 0.616E-03 0.358E-03
DAV: 27 -0.382949153033E+03 -0.25122E-03 -0.92682E-06 210 0.631E-03 0.474E-03
DAV: 28 -0.382949253130E+03 -0.10010E-03 -0.28637E-06 228 0.411E-03 0.270E-03
DAV: 29 -0.382949340552E+03 -0.87422E-04 -0.31366E-06 192 0.351E-03 0.158E-03
DAV: 30 -0.382949357949E+03 -0.17398E-04 -0.12292E-06 219 0.255E-03 0.123E-03
DAV: 31 -0.382949368261E+03 -0.10311E-04 -0.49785E-07 228 0.148E-03 0.108E-03
DAV: 32 -0.382949383795E+03 -0.15534E-04 -0.55341E-07 192 0.164E-03 0.684E-04
DAV: 33 -0.382949389428E+03 -0.56337E-05 -0.21946E-07 228 0.104E-03
1 F= -.38294939E+03 E0= -.38296635E+03 d E =0.508843E-01