iterations/neb0_image08_iter5_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 0.145241916691E+04 0.14524E+04 -0.44255E+04 330 0.697E+02
DAV: 2 0.231012770459E+03 -0.12214E+04 -0.11462E+04 426 0.163E+02
DAV: 3 -0.359638428124E+03 -0.59065E+03 -0.58722E+03 345 0.114E+02
DAV: 4 -0.432220031595E+03 -0.72582E+02 -0.72293E+02 309 0.513E+01
DAV: 5 -0.433875226276E+03 -0.16552E+01 -0.16520E+01 327 0.798E+00 0.426E+01
DAV: 6 -0.388219286012E+03 0.45656E+02 -0.14643E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.384755765242E+03 0.34635E+01 -0.13329E+01 345 0.787E+00 0.104E+01
DAV: 8 -0.383319455849E+03 0.14363E+01 -0.22230E+00 336 0.392E+00 0.428E+00
DAV: 9 -0.382780471249E+03 0.53898E+00 -0.73763E-01 327 0.221E+00 0.148E+00
DAV: 10 -0.382722872803E+03 0.57598E-01 -0.61009E-01 354 0.124E+00 0.889E-01
DAV: 11 -0.382687573203E+03 0.35300E-01 -0.80437E-02 327 0.624E-01 0.752E-01
DAV: 12 -0.382672500971E+03 0.15072E-01 -0.15775E-02 336 0.400E-01 0.659E-01
DAV: 13 -0.382667371793E+03 0.51292E-02 -0.56187E-02 363 0.735E-01 0.119E+00
DAV: 14 -0.382641098444E+03 0.26273E-01 -0.13206E-01 345 0.508E-01 0.270E-01
DAV: 15 -0.382643274468E+03 -0.21760E-02 -0.11225E-02 291 0.298E-01 0.151E-01
DAV: 16 -0.382650686562E+03 -0.74121E-02 -0.47965E-03 318 0.250E-01 0.139E-01
DAV: 17 -0.382661186085E+03 -0.10500E-01 -0.33079E-03 309 0.211E-01 0.131E-01
DAV: 18 -0.382668602624E+03 -0.74165E-02 -0.26714E-03 309 0.160E-01 0.929E-02
DAV: 19 -0.382676010467E+03 -0.74078E-02 -0.12666E-03 318 0.961E-02 0.738E-02
DAV: 20 -0.382683096460E+03 -0.70860E-02 -0.71207E-04 327 0.674E-02 0.804E-02
DAV: 21 -0.382689312982E+03 -0.62165E-02 -0.51403E-04 327 0.550E-02 0.544E-02
DAV: 22 -0.382691652201E+03 -0.23392E-02 -0.16977E-04 345 0.320E-02 0.384E-02
DAV: 23 -0.382693810260E+03 -0.21581E-02 -0.14458E-04 336 0.268E-02 0.252E-02
DAV: 24 -0.382694869048E+03 -0.10588E-02 -0.43951E-05 327 0.162E-02 0.209E-02
DAV: 25 -0.382695559500E+03 -0.69045E-03 -0.12011E-05 210 0.767E-03 0.146E-02
DAV: 26 -0.382696681583E+03 -0.11221E-02 -0.85364E-05 282 0.156E-02 0.710E-03
DAV: 27 -0.382696902730E+03 -0.22115E-03 -0.90526E-06 246 0.726E-03 0.397E-03
DAV: 28 -0.382697017084E+03 -0.11435E-03 -0.31329E-06 219 0.448E-03 0.430E-03
DAV: 29 -0.382697114057E+03 -0.96972E-04 -0.24766E-06 210 0.319E-03 0.388E-03
DAV: 30 -0.382697190329E+03 -0.76272E-04 -0.25103E-06 210 0.342E-03 0.151E-03
DAV: 31 -0.382697208288E+03 -0.17960E-04 -0.10932E-06 237 0.257E-03 0.106E-03
DAV: 32 -0.382697230602E+03 -0.22313E-04 -0.78319E-07 192 0.179E-03 0.121E-03
DAV: 33 -0.382697244708E+03 -0.14106E-04 -0.51902E-07 219 0.149E-03 0.620E-04
DAV: 34 -0.382697251221E+03 -0.65132E-05 -0.44424E-07 210 0.161E-03
1 F= -.38269725E+03 E0= -.38271443E+03 d E =0.515471E-01