iterations/neb0_image04_iter30_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 0.144929057508E+04 0.14493E+04 -0.44201E+04 330 0.697E+02
DAV: 2 0.225039431304E+03 -0.12243E+04 -0.11494E+04 435 0.163E+02
DAV: 3 -0.362460567437E+03 -0.58750E+03 -0.58422E+03 345 0.114E+02
DAV: 4 -0.433310257366E+03 -0.70850E+02 -0.70590E+02 318 0.509E+01
DAV: 5 -0.434896901382E+03 -0.15866E+01 -0.15842E+01 318 0.784E+00 0.426E+01
DAV: 6 -0.389028492220E+03 0.45868E+02 -0.14759E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385580399049E+03 0.34481E+01 -0.13537E+01 345 0.779E+00 0.104E+01
DAV: 8 -0.384117224180E+03 0.14632E+01 -0.22427E+00 327 0.386E+00 0.436E+00
DAV: 9 -0.383576137520E+03 0.54109E+00 -0.16097E+00 336 0.241E+00 0.131E+00
DAV: 10 -0.383498520396E+03 0.77617E-01 -0.20016E-01 327 0.113E+00 0.936E-01
DAV: 11 -0.383475784568E+03 0.22736E-01 -0.18298E-01 336 0.660E-01 0.943E-01
DAV: 12 -0.383465076310E+03 0.10708E-01 -0.35593E-01 345 0.686E-01 0.942E-01
DAV: 13 -0.383445257470E+03 0.19819E-01 -0.15853E-01 363 0.542E-01 0.718E-01
DAV: 14 -0.383433441014E+03 0.11816E-01 -0.74892E-02 336 0.386E-01 0.560E-01
DAV: 15 -0.383427443508E+03 0.59975E-02 -0.22544E-02 318 0.452E-01 0.347E-01
DAV: 16 -0.383430428286E+03 -0.29848E-02 -0.14802E-02 318 0.266E-01 0.169E-01
DAV: 17 -0.383437518062E+03 -0.70898E-02 -0.30403E-03 282 0.157E-01 0.142E-01
DAV: 18 -0.383446940555E+03 -0.94225E-02 -0.26329E-03 354 0.174E-01 0.107E-01
DAV: 19 -0.383453364973E+03 -0.64244E-02 -0.25112E-03 354 0.159E-01 0.888E-02
DAV: 20 -0.383460882960E+03 -0.75180E-02 -0.39023E-03 363 0.133E-01 0.186E-01
DAV: 21 -0.383460758313E+03 0.12465E-03 -0.22759E-03 327 0.915E-02 0.780E-02
DAV: 22 -0.383462220973E+03 -0.14627E-02 -0.56760E-04 345 0.522E-02 0.898E-02
DAV: 23 -0.383467936846E+03 -0.57159E-02 -0.13467E-03 300 0.664E-02 0.600E-02
DAV: 24 -0.383473140361E+03 -0.52035E-02 -0.49011E-04 309 0.439E-02 0.438E-02
DAV: 25 -0.383474472422E+03 -0.13321E-02 -0.69411E-05 309 0.216E-02 0.269E-02
DAV: 26 -0.383475428744E+03 -0.95632E-03 -0.71472E-05 327 0.228E-02 0.194E-02
DAV: 27 -0.383476522471E+03 -0.10937E-02 -0.58988E-05 318 0.156E-02 0.269E-02
DAV: 28 -0.383477365618E+03 -0.84315E-03 -0.36352E-05 291 0.115E-02 0.284E-02
DAV: 29 -0.383477703508E+03 -0.33789E-03 -0.59225E-05 291 0.136E-02 0.122E-02
DAV: 30 -0.383477887200E+03 -0.18369E-03 -0.18990E-05 273 0.101E-02 0.945E-03
DAV: 31 -0.383477934410E+03 -0.47211E-04 -0.21671E-06 246 0.401E-03 0.712E-03
DAV: 32 -0.383478035885E+03 -0.10147E-03 -0.35417E-06 219 0.438E-03 0.676E-03
DAV: 33 -0.383478127226E+03 -0.91342E-04 -0.43992E-06 219 0.438E-03 0.299E-03
DAV: 34 -0.383478142818E+03 -0.15591E-04 -0.11839E-06 237 0.230E-03 0.260E-03
DAV: 35 -0.383478159750E+03 -0.16932E-04 -0.81156E-07 210 0.207E-03 0.332E-03
DAV: 36 -0.383478175641E+03 -0.15891E-04 -0.77647E-07 219 0.161E-03 0.132E-03
DAV: 37 -0.383478182953E+03 -0.73120E-05 -0.38922E-07 228 0.123E-03
1 F= -.38347818E+03 E0= -.38349498E+03 d E =0.503819E-01