iterations/neb0_image04_iter70_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 0.144843691503E+04 0.14484E+04 -0.44209E+04 330 0.697E+02
DAV: 2 0.230854095833E+03 -0.12176E+04 -0.11405E+04 417 0.163E+02
DAV: 3 -0.364484260356E+03 -0.59534E+03 -0.59204E+03 354 0.115E+02
DAV: 4 -0.433458866399E+03 -0.68975E+02 -0.68723E+02 309 0.497E+01
DAV: 5 -0.435001494304E+03 -0.15426E+01 -0.15402E+01 318 0.767E+00 0.427E+01
DAV: 6 -0.389038121301E+03 0.45963E+02 -0.14888E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385561475518E+03 0.34766E+01 -0.13056E+01 345 0.778E+00 0.104E+01
DAV: 8 -0.384086927927E+03 0.14745E+01 -0.19127E+00 327 0.377E+00 0.431E+00
DAV: 9 -0.383550829050E+03 0.53610E+00 -0.16276E+00 336 0.219E+00 0.111E+00
DAV: 10 -0.383481048602E+03 0.69780E-01 -0.11726E-01 327 0.910E-01 0.840E-01
DAV: 11 -0.383435459832E+03 0.45589E-01 -0.89256E-02 336 0.735E-01 0.513E-01
DAV: 12 -0.383416214045E+03 0.19246E-01 -0.18749E-02 318 0.430E-01 0.322E-01
DAV: 13 -0.383408999971E+03 0.72141E-02 -0.26688E-02 318 0.380E-01 0.472E-01
DAV: 14 -0.383409840073E+03 -0.84010E-03 -0.45283E-02 345 0.305E-01 0.311E-01
DAV: 15 -0.383412500256E+03 -0.26602E-02 -0.15233E-02 300 0.245E-01 0.224E-01
DAV: 16 -0.383417648961E+03 -0.51487E-02 -0.35850E-03 309 0.159E-01 0.103E-01
DAV: 17 -0.383428845621E+03 -0.11197E-01 -0.44020E-03 282 0.180E-01 0.158E-01
DAV: 18 -0.383438984858E+03 -0.10139E-01 -0.40834E-03 372 0.180E-01 0.968E-02
DAV: 19 -0.383440380388E+03 -0.13955E-02 -0.11395E-03 327 0.790E-02 0.109E-01
DAV: 20 -0.383440405228E+03 -0.24840E-04 -0.55906E-05 318 0.152E-02 0.109E-01
DAV: 21 -0.383440328024E+03 0.77204E-04 -0.51553E-06 246 0.600E-03 0.115E-01
DAV: 22 -0.383439360178E+03 0.96785E-03 -0.53666E-04 318 0.883E-02 0.201E-01
DAV: 23 -0.383439537018E+03 -0.17684E-03 -0.79783E-04 390 0.923E-02 0.240E-01
DAV: 24 -0.383441800569E+03 -0.22636E-02 -0.11300E-03 327 0.861E-02 0.153E-01
DAV: 25 -0.383445677657E+03 -0.38771E-02 -0.67395E-04 363 0.826E-02 0.137E-01
DAV: 26 -0.383451097240E+03 -0.54196E-02 -0.13334E-03 381 0.123E-01 0.131E-01
DAV: 27 -0.383451798703E+03 -0.70146E-03 -0.10578E-03 345 0.815E-02 0.140E-01
DAV: 28 -0.383452596115E+03 -0.79741E-03 -0.24837E-04 309 0.380E-02 0.107E-01
DAV: 29 -0.383455486232E+03 -0.28901E-02 -0.21865E-03 354 0.172E-01 0.984E-02
DAV: 30 -0.383457680227E+03 -0.21940E-02 -0.18083E-03 327 0.104E-01 0.144E-01
DAV: 31 -0.383458319721E+03 -0.63949E-03 -0.33821E-04 327 0.545E-02 0.957E-02
DAV: 32 -0.383458974717E+03 -0.65500E-03 -0.55825E-05 309 0.174E-02 0.994E-02
DAV: 33 -0.383460108456E+03 -0.11337E-02 -0.18358E-04 363 0.444E-02 0.792E-02
DAV: 34 -0.383460297602E+03 -0.18915E-03 -0.29111E-04 363 0.457E-02 0.685E-02
DAV: 35 -0.383460303799E+03 -0.61977E-05 -0.74766E-05 318 0.167E-02
1 F= -.38346030E+03 E0= -.38347576E+03 d E =0.463796E-01