iterations/neb0_image06_iter13_OSZICAR.out output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.162140487724E+04 0.16214E+04 -0.42287E+04 306 0.697E+02
DAV: 2 0.301496319288E+03 -0.13199E+04 -0.12414E+04 420 0.168E+02
DAV: 3 -0.357955207285E+03 -0.65945E+03 -0.65503E+03 364 0.123E+02
DAV: 4 -0.433308266041E+03 -0.75353E+02 -0.75078E+02 308 0.528E+01
DAV: 5 -0.434998908855E+03 -0.16906E+01 -0.16882E+01 348 0.811E+00 0.427E+01
DAV: 6 -0.388922072537E+03 0.46077E+02 -0.15066E+02 316 0.286E+01 0.209E+01
DAV: 7 -0.385428997527E+03 0.34931E+01 -0.12703E+01 340 0.773E+00 0.104E+01
DAV: 8 -0.384003803920E+03 0.14252E+01 -0.27725E+00 332 0.393E+00 0.431E+00
DAV: 9 -0.383434171778E+03 0.56963E+00 -0.61145E-01 332 0.195E+00 0.105E+00
DAV: 10 -0.383391646931E+03 0.42525E-01 -0.45448E-01 324 0.115E+00 0.118E+00
DAV: 11 -0.383363325531E+03 0.28321E-01 -0.16888E-01 316 0.558E-01 0.751E-01
DAV: 12 -0.383355413820E+03 0.79117E-02 -0.60515E-02 324 0.370E-01 0.570E-01
DAV: 13 -0.383341121185E+03 0.14293E-01 -0.10574E-01 332 0.475E-01 0.602E-01
DAV: 14 -0.383332708795E+03 0.84124E-02 -0.57340E-02 308 0.328E-01 0.225E-01
DAV: 15 -0.383334729126E+03 -0.20203E-02 -0.91841E-03 308 0.275E-01 0.201E-01
DAV: 16 -0.383344448474E+03 -0.97193E-02 -0.37748E-03 308 0.180E-01 0.132E-01
DAV: 17 -0.383358812562E+03 -0.14364E-01 -0.33723E-03 292 0.178E-01 0.704E-02
DAV: 18 -0.383366697829E+03 -0.78853E-02 -0.22668E-03 324 0.129E-01 0.884E-02
DAV: 19 -0.383371707283E+03 -0.50095E-02 -0.62838E-04 356 0.663E-02 0.776E-02
DAV: 20 -0.383375983360E+03 -0.42761E-02 -0.46026E-04 348 0.627E-02 0.708E-02
DAV: 21 -0.383376422726E+03 -0.43937E-03 -0.21226E-04 316 0.326E-02 0.695E-02
DAV: 22 -0.383376503337E+03 -0.80610E-04 -0.10580E-05 236 0.842E-03 0.704E-02
DAV: 23 -0.383376490713E+03 0.12623E-04 -0.52472E-06 196 0.797E-03 0.696E-02
DAV: 24 -0.383377455864E+03 -0.96515E-03 -0.21739E-03 380 0.162E-01 0.836E-02
DAV: 25 -0.383381966225E+03 -0.45104E-02 -0.74587E-04 292 0.649E-02 0.442E-02
DAV: 26 -0.383384905889E+03 -0.29397E-02 -0.28020E-04 308 0.583E-02 0.633E-02
DAV: 27 -0.383388161210E+03 -0.32553E-02 -0.40816E-04 300 0.396E-02 0.364E-02
DAV: 28 -0.383389831970E+03 -0.16708E-02 -0.10144E-04 324 0.217E-02 0.257E-02
DAV: 29 -0.383390937225E+03 -0.11053E-02 -0.41063E-05 268 0.130E-02 0.269E-02
DAV: 30 -0.383391488435E+03 -0.55121E-03 -0.27854E-05 260 0.125E-02 0.261E-02
DAV: 31 -0.383391701069E+03 -0.21263E-03 -0.12333E-05 236 0.784E-03 0.181E-02
DAV: 32 -0.383391832885E+03 -0.13182E-03 -0.45880E-06 212 0.646E-03 0.102E-02
DAV: 33 -0.383391921792E+03 -0.88908E-04 -0.49359E-06 220 0.667E-03 0.678E-03
DAV: 34 -0.383391954957E+03 -0.33165E-04 -0.31962E-06 228 0.426E-03 0.520E-03
DAV: 35 -0.383391987988E+03 -0.33031E-04 -0.12348E-06 204 0.285E-03 0.528E-03
DAV: 36 -0.383392006327E+03 -0.18338E-04 -0.11151E-06 220 0.251E-03 0.576E-03
DAV: 37 -0.383392011287E+03 -0.49607E-05 -0.41527E-07 236 0.164E-03
1 F= -.38339201E+03 E0= -.38340673E+03 d E =0.441540E-01