iterations/neb0_image06_iter73_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 0.145290716678E+04 0.14529E+04 -0.44256E+04 330 0.697E+02
DAV: 2 0.230742580868E+03 -0.12222E+04 -0.11451E+04 417 0.163E+02
DAV: 3 -0.364907975549E+03 -0.59565E+03 -0.59218E+03 354 0.115E+02
DAV: 4 -0.433704112954E+03 -0.68796E+02 -0.68535E+02 309 0.498E+01
DAV: 5 -0.435243314366E+03 -0.15392E+01 -0.15365E+01 327 0.768E+00 0.429E+01
DAV: 6 -0.388781329027E+03 0.46462E+02 -0.15034E+02 309 0.286E+01 0.210E+01
DAV: 7 -0.385262811491E+03 0.35185E+01 -0.13999E+01 354 0.787E+00 0.105E+01
DAV: 8 -0.383787004135E+03 0.14758E+01 -0.21584E+00 327 0.395E+00 0.445E+00
DAV: 9 -0.383242531616E+03 0.54447E+00 -0.20219E+00 336 0.255E+00 0.137E+00
DAV: 10 -0.383171608060E+03 0.70924E-01 -0.29278E-01 327 0.117E+00 0.897E-01
DAV: 11 -0.383133237158E+03 0.38371E-01 -0.65302E-02 327 0.626E-01 0.584E-01
DAV: 12 -0.383118951036E+03 0.14286E-01 -0.19931E-01 354 0.630E-01 0.913E-01
DAV: 13 -0.383097726984E+03 0.21224E-01 -0.10514E-01 336 0.434E-01 0.364E-01
DAV: 14 -0.383098051103E+03 -0.32412E-03 -0.20207E-02 309 0.341E-01 0.464E-01
DAV: 15 -0.383098106838E+03 -0.55735E-04 -0.83706E-03 309 0.333E-01 0.352E-01
DAV: 16 -0.383103161195E+03 -0.50544E-02 -0.89868E-03 336 0.271E-01 0.114E-01
DAV: 17 -0.383113671263E+03 -0.10510E-01 -0.32489E-03 300 0.158E-01 0.129E-01
DAV: 18 -0.383122353908E+03 -0.86826E-02 -0.96107E-04 309 0.964E-02 0.142E-01
DAV: 19 -0.383129304140E+03 -0.69502E-02 -0.14076E-03 318 0.103E-01 0.443E-02
DAV: 20 -0.383135981847E+03 -0.66777E-02 -0.76395E-04 318 0.799E-02 0.350E-02
DAV: 21 -0.383138424991E+03 -0.24431E-02 -0.11894E-04 327 0.296E-02 0.274E-02
DAV: 22 -0.383141068752E+03 -0.26438E-02 -0.15469E-04 300 0.290E-02 0.230E-02
DAV: 23 -0.383143748041E+03 -0.26793E-02 -0.11870E-04 291 0.224E-02 0.173E-02
DAV: 24 -0.383144628704E+03 -0.88066E-03 -0.62592E-05 309 0.160E-02 0.896E-03
DAV: 25 -0.383145323140E+03 -0.69444E-03 -0.29739E-05 237 0.117E-02 0.825E-03
DAV: 26 -0.383145629557E+03 -0.30642E-03 -0.84785E-06 219 0.845E-03 0.545E-03
DAV: 27 -0.383145751857E+03 -0.12230E-03 -0.57300E-06 237 0.603E-03 0.323E-03
DAV: 28 -0.383145903830E+03 -0.15197E-03 -0.65396E-06 192 0.554E-03 0.247E-03
DAV: 29 -0.383145950613E+03 -0.46783E-04 -0.24353E-06 219 0.316E-03 0.188E-03
DAV: 30 -0.383145989457E+03 -0.38844E-04 -0.17078E-06 201 0.285E-03 0.984E-04
DAV: 31 -0.383146015051E+03 -0.25594E-04 -0.11027E-06 210 0.217E-03 0.122E-03
DAV: 32 -0.383146025680E+03 -0.10629E-04 -0.55365E-07 219 0.170E-03 0.479E-04
DAV: 33 -0.383146030538E+03 -0.48581E-05 -0.52652E-07 228 0.191E-03
1 F= -.38314603E+03 E0= -.38315906E+03 d E =0.390882E-01