iterations/neb0_image05_iter34_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 0.144964453549E+04 0.14496E+04 -0.44214E+04 330 0.697E+02
DAV: 2 0.231657230444E+03 -0.12180E+04 -0.11421E+04 417 0.163E+02
DAV: 3 -0.361421872391E+03 -0.59308E+03 -0.58986E+03 345 0.114E+02
DAV: 4 -0.433194811751E+03 -0.71773E+02 -0.71518E+02 318 0.515E+01
DAV: 5 -0.434835785026E+03 -0.16410E+01 -0.16383E+01 318 0.796E+00 0.426E+01
DAV: 6 -0.388978742192E+03 0.45857E+02 -0.14718E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385523583396E+03 0.34552E+01 -0.13354E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.384049144131E+03 0.14744E+01 -0.18701E+00 327 0.381E+00 0.433E+00
DAV: 9 -0.383533896945E+03 0.51525E+00 -0.16333E+00 336 0.224E+00 0.117E+00
DAV: 10 -0.383456620508E+03 0.77276E-01 -0.18168E-01 336 0.100E+00 0.933E-01
DAV: 11 -0.383432540976E+03 0.24080E-01 -0.13057E-01 327 0.592E-01 0.831E-01
DAV: 12 -0.383402594937E+03 0.29946E-01 -0.92383E-02 354 0.640E-01 0.942E-01
DAV: 13 -0.383391509054E+03 0.11086E-01 -0.24341E-01 363 0.560E-01 0.523E-01
DAV: 14 -0.383374796256E+03 0.16713E-01 -0.18945E-02 309 0.422E-01 0.232E-01
DAV: 15 -0.383377482993E+03 -0.26867E-02 -0.43945E-02 318 0.340E-01 0.559E-01
DAV: 16 -0.383380672891E+03 -0.31899E-02 -0.53460E-02 345 0.281E-01 0.194E-01
DAV: 17 -0.383391160306E+03 -0.10487E-01 -0.66736E-03 282 0.210E-01 0.151E-01
DAV: 18 -0.383397411001E+03 -0.62507E-02 -0.40689E-03 318 0.138E-01 0.175E-01
DAV: 19 -0.383404232854E+03 -0.68219E-02 -0.11986E-03 291 0.918E-02 0.103E-01
DAV: 20 -0.383413783482E+03 -0.95506E-02 -0.16847E-03 318 0.924E-02 0.761E-02
DAV: 21 -0.383417140181E+03 -0.33567E-02 -0.30432E-04 327 0.477E-02 0.518E-02
DAV: 22 -0.383420787098E+03 -0.36469E-02 -0.25488E-04 309 0.318E-02 0.194E-02
DAV: 23 -0.383424756015E+03 -0.39689E-02 -0.19819E-04 300 0.259E-02 0.119E-02
DAV: 24 -0.383426848451E+03 -0.20924E-02 -0.12049E-04 300 0.194E-02 0.942E-03
DAV: 25 -0.383427598400E+03 -0.74995E-03 -0.27588E-05 264 0.111E-02 0.579E-03
DAV: 26 -0.383427906123E+03 -0.30772E-03 -0.82991E-06 210 0.723E-03 0.391E-03
DAV: 27 -0.383428146723E+03 -0.24060E-03 -0.11982E-05 228 0.785E-03 0.394E-03
DAV: 28 -0.383428214027E+03 -0.67304E-04 -0.23086E-06 237 0.482E-03 0.150E-03
DAV: 29 -0.383428309515E+03 -0.95488E-04 -0.49415E-06 192 0.528E-03 0.277E-03
DAV: 30 -0.383428338027E+03 -0.28512E-04 -0.12531E-06 219 0.365E-03 0.142E-03
DAV: 31 -0.383428352585E+03 -0.14559E-04 -0.16934E-06 219 0.349E-03 0.145E-03
DAV: 32 -0.383428370656E+03 -0.18071E-04 -0.58392E-07 210 0.170E-03 0.114E-03
DAV: 33 -0.383428379737E+03 -0.90804E-05 -0.35195E-07 219 0.112E-03
1 F= -.38342838E+03 E0= -.38344515E+03 d E =0.503026E-01