iterations/neb0_image07_iter55_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 0.143672984419E+04 0.14367E+04 -0.44153E+04 330 0.697E+02
DAV: 2 0.235155621610E+03 -0.12016E+04 -0.11256E+04 408 0.162E+02
DAV: 3 -0.355470025164E+03 -0.59063E+03 -0.58700E+03 354 0.115E+02
DAV: 4 -0.427239899469E+03 -0.71770E+02 -0.71456E+02 309 0.510E+01
DAV: 5 -0.428926744123E+03 -0.16868E+01 -0.16833E+01 345 0.797E+00 0.421E+01
DAV: 6 -0.384323386170E+03 0.44603E+02 -0.14579E+02 309 0.285E+01 0.206E+01
DAV: 7 -0.381066522384E+03 0.32569E+01 -0.11797E+01 327 0.770E+00 0.103E+01
DAV: 8 -0.379661644966E+03 0.14049E+01 -0.26257E+00 327 0.392E+00 0.437E+00
DAV: 9 -0.379127398717E+03 0.53425E+00 -0.14970E+00 327 0.227E+00 0.111E+00
DAV: 10 -0.379057942043E+03 0.69457E-01 -0.12771E-01 327 0.988E-01 0.794E-01
DAV: 11 -0.379021664270E+03 0.36278E-01 -0.79997E-02 318 0.687E-01 0.491E-01
DAV: 12 -0.379000727087E+03 0.20937E-01 -0.19882E-02 363 0.446E-01 0.377E-01
DAV: 13 -0.378995369417E+03 0.53577E-02 -0.12290E-02 345 0.346E-01 0.273E-01
DAV: 14 -0.378996437988E+03 -0.10686E-02 -0.33322E-02 318 0.369E-01 0.482E-01
DAV: 15 -0.378998210536E+03 -0.17725E-02 -0.19361E-02 363 0.249E-01 0.173E-01
DAV: 16 -0.379002811859E+03 -0.46013E-02 -0.96501E-04 291 0.169E-01 0.145E-01
DAV: 17 -0.379011036530E+03 -0.82247E-02 -0.31599E-03 381 0.195E-01 0.172E-01
DAV: 18 -0.379016839206E+03 -0.58027E-02 -0.15837E-03 309 0.117E-01 0.195E-01
DAV: 19 -0.379021078309E+03 -0.42391E-02 -0.15037E-03 354 0.112E-01 0.848E-02
DAV: 20 -0.379025530275E+03 -0.44520E-02 -0.55703E-04 300 0.844E-02 0.536E-02
DAV: 21 -0.379028847804E+03 -0.33175E-02 -0.25664E-04 318 0.405E-02 0.323E-02
DAV: 22 -0.379035181048E+03 -0.63332E-02 -0.35270E-04 300 0.423E-02 0.233E-02
DAV: 23 -0.379037138375E+03 -0.19573E-02 -0.86915E-05 327 0.244E-02 0.207E-02
DAV: 24 -0.379039643915E+03 -0.25055E-02 -0.12681E-04 282 0.230E-02 0.235E-02
DAV: 25 -0.379040602137E+03 -0.95822E-03 -0.46296E-05 309 0.165E-02 0.148E-02
DAV: 26 -0.379041122147E+03 -0.52001E-03 -0.22481E-05 282 0.112E-02 0.112E-02
DAV: 27 -0.379041562361E+03 -0.44021E-03 -0.16497E-05 273 0.931E-03 0.593E-03
DAV: 28 -0.379041765876E+03 -0.20351E-03 -0.60069E-06 228 0.517E-03 0.439E-03
DAV: 29 -0.379041912699E+03 -0.14682E-03 -0.58681E-06 228 0.472E-03 0.232E-03
DAV: 30 -0.379041940177E+03 -0.27478E-04 -0.12908E-06 228 0.241E-03 0.222E-03
DAV: 31 -0.379041972513E+03 -0.32336E-04 -0.92451E-07 219 0.220E-03 0.136E-03
DAV: 32 -0.379041995643E+03 -0.23130E-04 -0.89285E-07 228 0.204E-03 0.130E-03
DAV: 33 -0.379041999962E+03 -0.43184E-05 -0.27197E-07 228 0.126E-03
1 F= -.37904200E+03 E0= -.37905917E+03 d E =0.514973E-01