iterations/neb0_image05_iter54_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 0.144973489540E+04 0.14497E+04 -0.44226E+04 330 0.697E+02
DAV: 2 0.231374548784E+03 -0.12184E+04 -0.11413E+04 417 0.163E+02
DAV: 3 -0.361793212434E+03 -0.59317E+03 -0.58998E+03 345 0.115E+02
DAV: 4 -0.433262795868E+03 -0.71470E+02 -0.71218E+02 309 0.514E+01
DAV: 5 -0.434914841035E+03 -0.16520E+01 -0.16492E+01 327 0.797E+00 0.427E+01
DAV: 6 -0.388848194187E+03 0.46067E+02 -0.14821E+02 309 0.286E+01 0.209E+01
DAV: 7 -0.385371507347E+03 0.34767E+01 -0.13392E+01 345 0.782E+00 0.104E+01
DAV: 8 -0.383932483101E+03 0.14390E+01 -0.24823E+00 327 0.384E+00 0.434E+00
DAV: 9 -0.383355201423E+03 0.57728E+00 -0.85659E-01 336 0.217E+00 0.128E+00
DAV: 10 -0.383307631935E+03 0.47569E-01 -0.62577E-01 345 0.117E+00 0.104E+00
DAV: 11 -0.383270565159E+03 0.37067E-01 -0.16113E-01 336 0.635E-01 0.936E-01
DAV: 12 -0.383259461877E+03 0.11103E-01 -0.27520E-01 345 0.502E-01 0.854E-01
DAV: 13 -0.383247266748E+03 0.12195E-01 -0.28939E-01 354 0.757E-01 0.916E-01
DAV: 14 -0.383228494763E+03 0.18772E-01 -0.86872E-02 318 0.473E-01 0.780E-01
DAV: 15 -0.383224991178E+03 0.35036E-02 -0.63749E-03 309 0.195E-01 0.576E-01
DAV: 16 -0.383220992608E+03 0.39986E-02 -0.16164E-02 354 0.317E-01 0.253E-01
DAV: 17 -0.383224995633E+03 -0.40030E-02 -0.50655E-03 318 0.224E-01 0.197E-01
DAV: 18 -0.383233804375E+03 -0.88087E-02 -0.30582E-03 291 0.197E-01 0.176E-01
DAV: 19 -0.383243234265E+03 -0.94299E-02 -0.33109E-03 300 0.184E-01 0.130E-01
DAV: 20 -0.383251379249E+03 -0.81450E-02 -0.14587E-03 336 0.109E-01 0.123E-01
DAV: 21 -0.383257913051E+03 -0.65338E-02 -0.42750E-04 336 0.609E-02 0.698E-02
DAV: 22 -0.383263724757E+03 -0.58117E-02 -0.39105E-04 318 0.514E-02 0.353E-02
DAV: 23 -0.383268018767E+03 -0.42940E-02 -0.23991E-04 327 0.355E-02 0.303E-02
DAV: 24 -0.383271010801E+03 -0.29920E-02 -0.13425E-04 291 0.258E-02 0.223E-02
DAV: 25 -0.383272700776E+03 -0.16900E-02 -0.10014E-04 318 0.207E-02 0.231E-02
DAV: 26 -0.383273238164E+03 -0.53739E-03 -0.13197E-05 255 0.997E-03 0.123E-02
DAV: 27 -0.383273658788E+03 -0.42062E-03 -0.22127E-05 264 0.948E-03 0.857E-03
DAV: 28 -0.383273955628E+03 -0.29684E-03 -0.89227E-06 228 0.754E-03 0.963E-03
DAV: 29 -0.383274060958E+03 -0.10533E-03 -0.34994E-06 228 0.395E-03 0.595E-03
DAV: 30 -0.383274146371E+03 -0.85413E-04 -0.26751E-06 192 0.444E-03 0.473E-03
DAV: 31 -0.383274206936E+03 -0.60565E-04 -0.22169E-06 219 0.314E-03 0.177E-03
DAV: 32 -0.383274227401E+03 -0.20466E-04 -0.85741E-07 228 0.188E-03 0.161E-03
DAV: 33 -0.383274250719E+03 -0.23318E-04 -0.96153E-07 201 0.219E-03 0.155E-03
DAV: 34 -0.383274256869E+03 -0.61496E-05 -0.36027E-07 219 0.132E-03
1 F= -.38327426E+03 E0= -.38329085E+03 d E =0.497891E-01