iterations/neb0_image03_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 0.144885870281E+04 0.14489E+04 -0.44197E+04 330 0.697E+02
DAV: 2 0.224437864378E+03 -0.12244E+04 -0.11484E+04 435 0.163E+02
DAV: 3 -0.362652829781E+03 -0.58709E+03 -0.58384E+03 345 0.114E+02
DAV: 4 -0.433419681523E+03 -0.70767E+02 -0.70539E+02 309 0.508E+01
DAV: 5 -0.435008472065E+03 -0.15888E+01 -0.15861E+01 318 0.783E+00 0.426E+01
DAV: 6 -0.389016269872E+03 0.45992E+02 -0.14802E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385559340144E+03 0.34569E+01 -0.13734E+01 345 0.782E+00 0.104E+01
DAV: 8 -0.384088033119E+03 0.14713E+01 -0.24399E+00 345 0.391E+00 0.439E+00
DAV: 9 -0.383526324281E+03 0.56171E+00 -0.86792E-01 327 0.223E+00 0.138E+00
DAV: 10 -0.383467857302E+03 0.58467E-01 -0.54912E-01 363 0.127E+00 0.114E+00
DAV: 11 -0.383432043471E+03 0.35814E-01 -0.24448E-01 354 0.705E-01 0.904E-01
DAV: 12 -0.383415676929E+03 0.16367E-01 -0.11994E-01 363 0.477E-01 0.652E-01
DAV: 13 -0.383402342202E+03 0.13335E-01 -0.33148E-02 345 0.436E-01 0.703E-01
DAV: 14 -0.383392066954E+03 0.10275E-01 -0.12318E-01 363 0.513E-01 0.904E-01
DAV: 15 -0.383388946664E+03 0.31203E-02 -0.15461E-01 336 0.355E-01 0.849E-01
DAV: 16 -0.383385032609E+03 0.39141E-02 -0.17573E-02 327 0.379E-01 0.331E-01
DAV: 17 -0.383387291667E+03 -0.22591E-02 -0.62340E-03 309 0.239E-01 0.168E-01
DAV: 18 -0.383395090124E+03 -0.77985E-02 -0.33553E-03 300 0.160E-01 0.205E-01
DAV: 19 -0.383406954824E+03 -0.11865E-01 -0.25459E-03 309 0.166E-01 0.147E-01
DAV: 20 -0.383415864360E+03 -0.89095E-02 -0.19812E-03 318 0.136E-01 0.150E-01
DAV: 21 -0.383420786224E+03 -0.49219E-02 -0.87932E-04 327 0.852E-02 0.951E-02
DAV: 22 -0.383424794801E+03 -0.40086E-02 -0.26488E-04 300 0.422E-02 0.308E-02
DAV: 23 -0.383430458477E+03 -0.56637E-02 -0.32167E-04 309 0.388E-02 0.537E-02
DAV: 24 -0.383433535583E+03 -0.30771E-02 -0.14682E-04 327 0.271E-02 0.140E-02
DAV: 25 -0.383435955399E+03 -0.24198E-02 -0.13835E-04 300 0.226E-02 0.115E-02
DAV: 26 -0.383436797991E+03 -0.84259E-03 -0.29894E-05 282 0.107E-02 0.747E-03
DAV: 27 -0.383437393253E+03 -0.59526E-03 -0.23352E-05 255 0.899E-03 0.424E-03
DAV: 28 -0.383437649899E+03 -0.25665E-03 -0.66278E-06 219 0.495E-03 0.265E-03
DAV: 29 -0.383437789496E+03 -0.13960E-03 -0.53137E-06 210 0.441E-03 0.241E-03
DAV: 30 -0.383437851881E+03 -0.62384E-04 -0.25249E-06 228 0.334E-03 0.182E-03
DAV: 31 -0.383437883220E+03 -0.31339E-04 -0.14004E-06 192 0.256E-03 0.963E-04
DAV: 32 -0.383437897634E+03 -0.14414E-04 -0.10603E-06 228 0.224E-03 0.118E-03
DAV: 33 -0.383437899252E+03 -0.16181E-05 -0.29045E-07 237 0.138E-03
1 F= -.38343790E+03 E0= -.38345424E+03 d E =0.490362E-01