iterations/neb0_image04_iter25_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 0.144950457420E+04 0.14495E+04 -0.44201E+04 330 0.697E+02
DAV: 2 0.225229645448E+03 -0.12243E+04 -0.11495E+04 435 0.163E+02
DAV: 3 -0.362415326159E+03 -0.58764E+03 -0.58434E+03 345 0.114E+02
DAV: 4 -0.433316112340E+03 -0.70901E+02 -0.70640E+02 318 0.509E+01
DAV: 5 -0.434903128711E+03 -0.15870E+01 -0.15846E+01 318 0.784E+00 0.426E+01
DAV: 6 -0.389025342461E+03 0.45878E+02 -0.14761E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385575485507E+03 0.34499E+01 -0.13531E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.384116330752E+03 0.14592E+01 -0.22975E+00 327 0.387E+00 0.436E+00
DAV: 9 -0.383573812176E+03 0.54252E+00 -0.16356E+00 327 0.242E+00 0.129E+00
DAV: 10 -0.383493950128E+03 0.79862E-01 -0.16281E-01 336 0.112E+00 0.920E-01
DAV: 11 -0.383461860436E+03 0.32090E-01 -0.10495E-01 345 0.811E-01 0.810E-01
DAV: 12 -0.383447997496E+03 0.13863E-01 -0.16280E-01 354 0.586E-01 0.551E-01
DAV: 13 -0.383427333048E+03 0.20664E-01 -0.14076E-02 309 0.421E-01 0.236E-01
DAV: 14 -0.383424573536E+03 0.27595E-02 -0.23532E-02 327 0.498E-01 0.510E-01
DAV: 15 -0.383423952687E+03 0.62085E-03 -0.77489E-03 318 0.271E-01 0.300E-01
DAV: 16 -0.383429671307E+03 -0.57186E-02 -0.45699E-03 300 0.193E-01 0.161E-01
DAV: 17 -0.383437454982E+03 -0.77837E-02 -0.27695E-03 318 0.173E-01 0.145E-01
DAV: 18 -0.383446656175E+03 -0.92012E-02 -0.95319E-03 336 0.196E-01 0.320E-01
DAV: 19 -0.383451491959E+03 -0.48358E-02 -0.28058E-03 327 0.128E-01 0.225E-01
DAV: 20 -0.383452625927E+03 -0.11340E-02 -0.56791E-04 345 0.644E-02 0.207E-01
DAV: 21 -0.383460115902E+03 -0.74900E-02 -0.20069E-03 309 0.896E-02 0.399E-02
DAV: 22 -0.383464684915E+03 -0.45690E-02 -0.55359E-04 318 0.579E-02 0.690E-02
DAV: 23 -0.383467447887E+03 -0.27630E-02 -0.18295E-04 363 0.335E-02 0.653E-02
DAV: 24 -0.383470475370E+03 -0.30275E-02 -0.15755E-04 309 0.274E-02 0.292E-02
DAV: 25 -0.383472393105E+03 -0.19177E-02 -0.95352E-05 327 0.208E-02 0.160E-02
DAV: 26 -0.383473581682E+03 -0.11886E-02 -0.55710E-05 309 0.140E-02 0.134E-02
DAV: 27 -0.383474001552E+03 -0.41987E-03 -0.10751E-05 246 0.737E-03 0.132E-02
DAV: 28 -0.383474493361E+03 -0.49181E-03 -0.31863E-05 255 0.114E-02 0.827E-03
DAV: 29 -0.383474582666E+03 -0.89305E-04 -0.42436E-06 228 0.566E-03 0.794E-03
DAV: 30 -0.383474665307E+03 -0.82641E-04 -0.35124E-06 219 0.534E-03 0.224E-03
DAV: 31 -0.383474719265E+03 -0.53958E-04 -0.19777E-06 219 0.323E-03 0.250E-03
DAV: 32 -0.383474764842E+03 -0.45577E-04 -0.16116E-06 219 0.335E-03 0.246E-03
DAV: 33 -0.383474782267E+03 -0.17425E-04 -0.75202E-07 228 0.193E-03 0.148E-03
DAV: 34 -0.383474792680E+03 -0.10412E-04 -0.58530E-07 219 0.190E-03 0.186E-03
DAV: 35 -0.383474797454E+03 -0.47741E-05 -0.32629E-07 228 0.138E-03
1 F= -.38347480E+03 E0= -.38349157E+03 d E =0.503048E-01