iterations/neb0_image09_iter66_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 0.143153332420E+04 0.14315E+04 -0.44064E+04 330 0.697E+02
DAV: 2 0.226443337282E+03 -0.12051E+04 -0.11308E+04 417 0.162E+02
DAV: 3 -0.360454862183E+03 -0.58690E+03 -0.58268E+03 372 0.114E+02
DAV: 4 -0.425596095604E+03 -0.65141E+02 -0.64776E+02 309 0.465E+01
DAV: 5 -0.427057339922E+03 -0.14612E+01 -0.14577E+01 336 0.728E+00 0.419E+01
DAV: 6 -0.381900648747E+03 0.45157E+02 -0.15691E+02 300 0.292E+01 0.206E+01
DAV: 7 -0.378667112034E+03 0.32335E+01 -0.12593E+01 345 0.811E+00 0.104E+01
DAV: 8 -0.377168261737E+03 0.14989E+01 -0.20500E+00 336 0.385E+00 0.429E+00
DAV: 9 -0.376634327915E+03 0.53393E+00 -0.57329E-01 327 0.193E+00 0.100E+00
DAV: 10 -0.376565884103E+03 0.68444E-01 -0.97084E-02 336 0.862E-01 0.655E-01
DAV: 11 -0.376533450390E+03 0.32434E-01 -0.26975E-02 327 0.447E-01 0.395E-01
DAV: 12 -0.376518584392E+03 0.14866E-01 -0.19789E-02 327 0.397E-01 0.270E-01
DAV: 13 -0.376515498755E+03 0.30856E-02 -0.94754E-03 309 0.302E-01 0.178E-01
DAV: 14 -0.376522155999E+03 -0.66572E-02 -0.10674E-02 327 0.298E-01 0.227E-01
DAV: 15 -0.376528677119E+03 -0.65211E-02 -0.11774E-02 318 0.261E-01 0.140E-01
DAV: 16 -0.376539991073E+03 -0.11314E-01 -0.40146E-03 300 0.184E-01 0.513E-02
DAV: 17 -0.376547593184E+03 -0.76021E-02 -0.18728E-03 309 0.122E-01 0.428E-02
DAV: 18 -0.376553429792E+03 -0.58366E-02 -0.56309E-04 336 0.612E-02 0.344E-02
DAV: 19 -0.376559948989E+03 -0.65192E-02 -0.38027E-04 309 0.394E-02 0.260E-02
DAV: 20 -0.376564203258E+03 -0.42543E-02 -0.21885E-04 309 0.261E-02 0.160E-02
DAV: 21 -0.376566868749E+03 -0.26655E-02 -0.17890E-04 318 0.274E-02 0.875E-03
DAV: 22 -0.376567815582E+03 -0.94683E-03 -0.32769E-05 264 0.117E-02 0.672E-03
DAV: 23 -0.376568504262E+03 -0.68868E-03 -0.27302E-05 246 0.121E-02 0.383E-03
DAV: 24 -0.376568921849E+03 -0.41759E-03 -0.18418E-05 237 0.811E-03 0.314E-03
DAV: 25 -0.376569038928E+03 -0.11708E-03 -0.32992E-06 228 0.475E-03 0.169E-03
DAV: 26 -0.376569155820E+03 -0.11689E-03 -0.54340E-06 201 0.528E-03 0.250E-03
DAV: 27 -0.376569193646E+03 -0.37826E-04 -0.16533E-06 219 0.402E-03 0.107E-03
DAV: 28 -0.376569214693E+03 -0.21047E-04 -0.24703E-06 219 0.408E-03 0.193E-03
DAV: 29 -0.376569222741E+03 -0.80488E-05 -0.67660E-07 219 0.322E-03
1 F= -.37656922E+03 E0= -.37657888E+03 d E =0.289801E-01