iterations/neb0_image07_iter8_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 0.145260586470E+04 0.14526E+04 -0.44246E+04 330 0.697E+02
DAV: 2 0.229084700936E+03 -0.12235E+04 -0.11475E+04 426 0.163E+02
DAV: 3 -0.361163624072E+03 -0.59025E+03 -0.58683E+03 345 0.114E+02
DAV: 4 -0.432936377758E+03 -0.71773E+02 -0.71510E+02 318 0.512E+01
DAV: 5 -0.434559115915E+03 -0.16227E+01 -0.16200E+01 318 0.792E+00 0.427E+01
DAV: 6 -0.388686584755E+03 0.45873E+02 -0.14734E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385211892964E+03 0.34747E+01 -0.13210E+01 345 0.783E+00 0.104E+01
DAV: 8 -0.383778205628E+03 0.14337E+01 -0.24686E+00 345 0.391E+00 0.432E+00
DAV: 9 -0.383223596474E+03 0.55461E+00 -0.89606E-01 336 0.226E+00 0.122E+00
DAV: 10 -0.383165626678E+03 0.57970E-01 -0.41312E-01 336 0.118E+00 0.863E-01
DAV: 11 -0.383134645720E+03 0.30981E-01 -0.10117E-01 327 0.566E-01 0.898E-01
DAV: 12 -0.383123860224E+03 0.10785E-01 -0.15709E-01 399 0.467E-01 0.695E-01
DAV: 13 -0.383116460328E+03 0.73999E-02 -0.69807E-02 345 0.628E-01 0.120E+00
DAV: 14 -0.383089475475E+03 0.26985E-01 -0.42310E-02 327 0.415E-01 0.304E-01
DAV: 15 -0.383088315756E+03 0.11597E-02 -0.15483E-02 309 0.375E-01 0.325E-01
DAV: 16 -0.383092706704E+03 -0.43909E-02 -0.11072E-02 327 0.296E-01 0.182E-01
DAV: 17 -0.383101909067E+03 -0.92024E-02 -0.55786E-03 327 0.208E-01 0.227E-01
DAV: 18 -0.383108351707E+03 -0.64426E-02 -0.87734E-03 327 0.162E-01 0.166E-01
DAV: 19 -0.383115993432E+03 -0.76417E-02 -0.20742E-03 300 0.133E-01 0.567E-02
DAV: 20 -0.383123421925E+03 -0.74285E-02 -0.11648E-03 327 0.100E-01 0.694E-02
DAV: 21 -0.383130285399E+03 -0.68635E-02 -0.71770E-04 345 0.737E-02 0.538E-02
DAV: 22 -0.383134034026E+03 -0.37486E-02 -0.13932E-04 327 0.291E-02 0.324E-02
DAV: 23 -0.383137591185E+03 -0.35572E-02 -0.24486E-04 327 0.358E-02 0.210E-02
DAV: 24 -0.383139730554E+03 -0.21394E-02 -0.10387E-04 300 0.211E-02 0.135E-02
DAV: 25 -0.383140640927E+03 -0.91037E-03 -0.39999E-05 309 0.142E-02 0.101E-02
DAV: 26 -0.383141169094E+03 -0.52817E-03 -0.13407E-05 219 0.839E-03 0.613E-03
DAV: 27 -0.383141564151E+03 -0.39506E-03 -0.20623E-05 246 0.896E-03 0.317E-03
DAV: 28 -0.383141623402E+03 -0.59251E-04 -0.15380E-06 246 0.393E-03 0.258E-03
DAV: 29 -0.383141750915E+03 -0.12751E-03 -0.44596E-06 192 0.535E-03 0.339E-03
DAV: 30 -0.383141796152E+03 -0.45237E-04 -0.17567E-06 219 0.320E-03 0.179E-03
DAV: 31 -0.383141815941E+03 -0.19790E-04 -0.16867E-06 237 0.364E-03 0.161E-03
DAV: 32 -0.383141844341E+03 -0.28400E-04 -0.96767E-07 192 0.258E-03 0.752E-04
DAV: 33 -0.383141854262E+03 -0.99207E-05 -0.49749E-07 228 0.148E-03
1 F= -.38314185E+03 E0= -.38315850E+03 d E =0.499453E-01