iterations/neb0_image04_iter44_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 0.144905214844E+04 0.14491E+04 -0.44209E+04 330 0.697E+02
DAV: 2 0.228205950677E+03 -0.12208E+04 -0.11447E+04 426 0.163E+02
DAV: 3 -0.364982667424E+03 -0.59319E+03 -0.58987E+03 354 0.114E+02
DAV: 4 -0.433422630339E+03 -0.68440E+02 -0.68211E+02 300 0.495E+01
DAV: 5 -0.434957831705E+03 -0.15352E+01 -0.15324E+01 327 0.763E+00 0.427E+01
DAV: 6 -0.389016728785E+03 0.45941E+02 -0.14864E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385549765122E+03 0.34670E+01 -0.13169E+01 345 0.776E+00 0.104E+01
DAV: 8 -0.384070132635E+03 0.14796E+01 -0.20406E+00 336 0.385E+00 0.428E+00
DAV: 9 -0.383527470065E+03 0.54266E+00 -0.67900E-01 336 0.213E+00 0.116E+00
DAV: 10 -0.383451626077E+03 0.75844E-01 -0.22684E-01 327 0.991E-01 0.869E-01
DAV: 11 -0.383434239445E+03 0.17387E-01 -0.13705E-01 336 0.554E-01 0.838E-01
DAV: 12 -0.383413588790E+03 0.20651E-01 -0.11083E-01 318 0.413E-01 0.676E-01
DAV: 13 -0.383402749214E+03 0.10840E-01 -0.18239E-01 336 0.557E-01 0.756E-01
DAV: 14 -0.383392113763E+03 0.10635E-01 -0.16986E-02 318 0.379E-01 0.523E-01
DAV: 15 -0.383390631805E+03 0.14820E-02 -0.71894E-03 318 0.262E-01 0.276E-01
DAV: 16 -0.383395102212E+03 -0.44704E-02 -0.66667E-03 300 0.223E-01 0.156E-01
DAV: 17 -0.383402294217E+03 -0.71920E-02 -0.26279E-03 318 0.157E-01 0.111E-01
DAV: 18 -0.383414670164E+03 -0.12376E-01 -0.47742E-03 318 0.201E-01 0.288E-01
DAV: 19 -0.383422996488E+03 -0.83263E-02 -0.57522E-03 336 0.176E-01 0.854E-02
DAV: 20 -0.383429779220E+03 -0.67827E-02 -0.12543E-03 318 0.938E-02 0.104E-01
DAV: 21 -0.383433867925E+03 -0.40887E-02 -0.38391E-04 309 0.493E-02 0.823E-02
DAV: 22 -0.383437045723E+03 -0.31778E-02 -0.31747E-04 327 0.478E-02 0.285E-02
DAV: 23 -0.383441149534E+03 -0.41038E-02 -0.23108E-04 318 0.329E-02 0.214E-02
DAV: 24 -0.383442912669E+03 -0.17631E-02 -0.63513E-05 309 0.184E-02 0.174E-02
DAV: 25 -0.383444585660E+03 -0.16730E-02 -0.87379E-05 291 0.173E-02 0.195E-02
DAV: 26 -0.383445425852E+03 -0.84019E-03 -0.39283E-05 291 0.110E-02 0.752E-03
DAV: 27 -0.383445825395E+03 -0.39954E-03 -0.14284E-05 237 0.804E-03 0.768E-03
DAV: 28 -0.383446056751E+03 -0.23136E-03 -0.80882E-06 210 0.594E-03 0.681E-03
DAV: 29 -0.383446188773E+03 -0.13202E-03 -0.58768E-06 219 0.547E-03 0.325E-03
DAV: 30 -0.383446239292E+03 -0.50519E-04 -0.29045E-06 219 0.367E-03 0.326E-03
DAV: 31 -0.383446261293E+03 -0.22001E-04 -0.11635E-06 219 0.247E-03 0.229E-03
DAV: 32 -0.383446273555E+03 -0.12262E-04 -0.87337E-07 228 0.251E-03 0.886E-04
DAV: 33 -0.383446282879E+03 -0.93242E-05 -0.42414E-07 210 0.156E-03
1 F= -.38344628E+03 E0= -.38346294E+03 d E =0.499635E-01