./iterations/neb0_image05_iter26_OSZICAR.out output for 3: 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
running
N E dE d eps ncg rms rms(c)
DAV: 1 0.145017414763E+04 0.14502E+04 -0.44211E+04 330 0.697E+02
DAV: 2 0.232349977886E+03 -0.12178E+04 -0.11427E+04 417 0.163E+02
DAV: 3 -0.361098111559E+03 -0.59345E+03 -0.59023E+03 345 0.114E+02
DAV: 4 -0.433169944982E+03 -0.72072E+02 -0.71826E+02 309 0.515E+01
DAV: 5 -0.434818131564E+03 -0.16482E+01 -0.16454E+01 318 0.797E+00 0.426E+01
DAV: 6 -0.388971087922E+03 0.45847E+02 -0.14713E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385522252705E+03 0.34488E+01 -0.13411E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.384069890977E+03 0.14524E+01 -0.24282E+00 336 0.390E+00 0.436E+00
DAV: 9 -0.383513618482E+03 0.55627E+00 -0.10409E+00 336 0.226E+00 0.137E+00
DAV: 10 -0.383463879107E+03 0.49739E-01 -0.49891E-01 345 0.130E+00 0.119E+00
DAV: 11 -0.383421482973E+03 0.42396E-01 -0.21968E-01 345 0.745E-01 0.908E-01
DAV: 12 -0.383408438239E+03 0.13045E-01 -0.92354E-02 327 0.457E-01 0.651E-01
DAV: 13 -0.383392864788E+03 0.15573E-01 -0.19565E-02 336 0.423E-01 0.711E-01
DAV: 14 -0.383384686963E+03 0.81778E-02 -0.20480E-01 363 0.586E-01 0.751E-01
DAV: 15 -0.383384822334E+03 -0.13537E-03 -0.14154E-01 345 0.412E-01 0.922E-01
DAV: 16 -0.383375441219E+03 0.93811E-02 -0.10535E-02 336 0.306E-01 0.413E-01
DAV: 17 -0.383377441650E+03 -0.20004E-02 -0.74100E-03 309 0.254E-01 0.207E-01
DAV: 18 -0.383387870883E+03 -0.10429E-01 -0.57944E-03 327 0.216E-01 0.221E-01
DAV: 19 -0.383395470393E+03 -0.75995E-02 -0.40081E-03 300 0.156E-01 0.130E-01
DAV: 20 -0.383404005392E+03 -0.85350E-02 -0.17862E-03 309 0.118E-01 0.897E-02
DAV: 21 -0.383410308316E+03 -0.63029E-02 -0.84597E-04 318 0.929E-02 0.143E-01
DAV: 22 -0.383415501497E+03 -0.51932E-02 -0.39728E-04 336 0.635E-02 0.831E-02
DAV: 23 -0.383420764716E+03 -0.52632E-02 -0.60424E-04 318 0.528E-02 0.651E-02
DAV: 24 -0.383423229759E+03 -0.24650E-02 -0.29403E-04 327 0.362E-02 0.278E-02
DAV: 25 -0.383424025499E+03 -0.79574E-03 -0.52082E-05 336 0.182E-02 0.360E-02
DAV: 26 -0.383425001715E+03 -0.97622E-03 -0.34916E-05 282 0.153E-02 0.345E-02
DAV: 27 -0.383426145038E+03 -0.11433E-02 -0.42759E-05 282 0.147E-02 0.323E-02
DAV: 28 -0.383426995144E+03 -0.85011E-03 -0.47362E-05 291 0.148E-02 0.143E-02
DAV: 29 -0.383427132779E+03 -0.13764E-03 -0.93641E-06 264 0.875E-03 0.655E-03
DAV: 30 -0.383427201893E+03 -0.69114E-04 -0.32281E-06 228 0.485E-03 0.574E-03
DAV: 31 -0.383427365964E+03 -0.16407E-03 -0.50614E-06 210 0.517E-03 0.207E-03
DAV: 32 -0.383427481138E+03 -0.11517E-03 -0.43654E-06 219 0.400E-03 0.210E-03
DAV: 33 -0.383427514571E+03 -0.33434E-04 -0.15104E-06 237 0.366E-03 0.284E-03
DAV: 34 -0.383427548711E+03 -0.34140E-04 -0.20634E-06 192 0.402E-03 0.258E-03
DAV: 35 -0.383427559216E+03 -0.10505E-04 -0.76550E-07 228 0.222E-03 0.187E-03
DAV: 36 -0.383427560916E+03 -0.17001E-05 -0.44064E-07 237 0.182E-03
1 F= -.38342756E+03 E0= -.38344422E+03 d E =0.499630E-01