iterations/neb0_image02_iter38_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 0.144824013067E+04 0.14482E+04 -0.44195E+04 330 0.697E+02
DAV: 2 0.224397599960E+03 -0.12238E+04 -0.11469E+04 435 0.163E+02
DAV: 3 -0.362982018582E+03 -0.58738E+03 -0.58424E+03 345 0.114E+02
DAV: 4 -0.433497836175E+03 -0.70516E+02 -0.70284E+02 309 0.508E+01
DAV: 5 -0.435080893865E+03 -0.15831E+01 -0.15805E+01 318 0.781E+00 0.426E+01
DAV: 6 -0.389083648898E+03 0.45997E+02 -0.14814E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385601392923E+03 0.34823E+01 -0.13001E+01 345 0.777E+00 0.104E+01
DAV: 8 -0.384155839969E+03 0.14456E+01 -0.23798E+00 345 0.384E+00 0.434E+00
DAV: 9 -0.383601647760E+03 0.55419E+00 -0.13751E+00 336 0.231E+00 0.130E+00
DAV: 10 -0.383525708596E+03 0.75939E-01 -0.33987E-01 336 0.120E+00 0.979E-01
DAV: 11 -0.383500737131E+03 0.24971E-01 -0.44699E-02 318 0.570E-01 0.730E-01
DAV: 12 -0.383479197673E+03 0.21539E-01 -0.33141E-02 327 0.497E-01 0.830E-01
DAV: 13 -0.383461975018E+03 0.17223E-01 -0.12588E-01 363 0.571E-01 0.707E-01
DAV: 14 -0.383454705680E+03 0.72693E-02 -0.11177E-02 309 0.333E-01 0.432E-01
DAV: 15 -0.383457696136E+03 -0.29905E-02 -0.14185E-02 327 0.304E-01 0.671E-01
DAV: 16 -0.383455498601E+03 0.21975E-02 -0.38894E-02 354 0.337E-01 0.252E-01
DAV: 17 -0.383461494421E+03 -0.59958E-02 -0.47073E-03 291 0.222E-01 0.162E-01
DAV: 18 -0.383468829427E+03 -0.73350E-02 -0.22666E-03 327 0.163E-01 0.232E-01
DAV: 19 -0.383482692711E+03 -0.13863E-01 -0.44987E-03 309 0.185E-01 0.165E-01
DAV: 20 -0.383488750285E+03 -0.60576E-02 -0.13103E-03 327 0.111E-01 0.641E-02
DAV: 21 -0.383493917028E+03 -0.51667E-02 -0.57208E-04 318 0.581E-02 0.677E-02
DAV: 22 -0.383497607889E+03 -0.36909E-02 -0.16092E-04 318 0.291E-02 0.521E-02
DAV: 23 -0.383502638963E+03 -0.50311E-02 -0.31017E-04 309 0.325E-02 0.200E-02
DAV: 24 -0.383504029015E+03 -0.13901E-02 -0.48565E-05 300 0.150E-02 0.134E-02
DAV: 25 -0.383505468118E+03 -0.14391E-02 -0.50499E-05 291 0.133E-02 0.133E-02
DAV: 26 -0.383506315552E+03 -0.84743E-03 -0.31685E-05 282 0.105E-02 0.583E-03
DAV: 27 -0.383506751912E+03 -0.43636E-03 -0.19157E-05 237 0.950E-03 0.707E-03
DAV: 28 -0.383506819572E+03 -0.67661E-04 -0.25937E-06 237 0.418E-03 0.450E-03
DAV: 29 -0.383506920672E+03 -0.10110E-03 -0.27778E-06 201 0.419E-03 0.278E-03
DAV: 30 -0.383507008075E+03 -0.87403E-04 -0.22601E-06 219 0.325E-03 0.174E-03
DAV: 31 -0.383507039470E+03 -0.31395E-04 -0.11038E-06 228 0.259E-03 0.104E-03
DAV: 32 -0.383507075750E+03 -0.36280E-04 -0.11661E-06 183 0.207E-03 0.112E-03
DAV: 33 -0.383507081685E+03 -0.59348E-05 -0.42894E-07 228 0.140E-03
1 F= -.38350708E+03 E0= -.38352357E+03 d E =0.494711E-01