iterations/neb0_image01_iter42_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 0.144663622451E+04 0.14466E+04 -0.44183E+04 330 0.697E+02
DAV: 2 0.227634813930E+03 -0.12190E+04 -0.11419E+04 426 0.163E+02
DAV: 3 -0.363095699416E+03 -0.59073E+03 -0.58721E+03 354 0.114E+02
DAV: 4 -0.433425329445E+03 -0.70330E+02 -0.70055E+02 318 0.506E+01
DAV: 5 -0.435001828218E+03 -0.15765E+01 -0.15746E+01 327 0.770E+00 0.426E+01
DAV: 6 -0.388981019094E+03 0.46021E+02 -0.15079E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385491600962E+03 0.34894E+01 -0.12644E+01 345 0.773E+00 0.104E+01
DAV: 8 -0.384034137796E+03 0.14575E+01 -0.18060E+00 336 0.372E+00 0.423E+00
DAV: 9 -0.383475003710E+03 0.55913E+00 -0.13089E+00 345 0.227E+00 0.118E+00
DAV: 10 -0.383421683370E+03 0.53320E-01 -0.32828E-01 327 0.106E+00 0.113E+00
DAV: 11 -0.383396534313E+03 0.25149E-01 -0.21920E-01 327 0.545E-01 0.898E-01
DAV: 12 -0.383376209619E+03 0.20325E-01 -0.41804E-02 363 0.599E-01 0.921E-01
DAV: 13 -0.383358905315E+03 0.17304E-01 -0.25567E-01 408 0.601E-01 0.655E-01
DAV: 14 -0.383342585527E+03 0.16320E-01 -0.62904E-02 336 0.465E-01 0.315E-01
DAV: 15 -0.383342303710E+03 0.28182E-03 -0.23177E-02 309 0.414E-01 0.324E-01
DAV: 16 -0.383344236102E+03 -0.19324E-02 -0.49018E-03 318 0.208E-01 0.271E-01
DAV: 17 -0.383351536467E+03 -0.73004E-02 -0.29854E-03 309 0.165E-01 0.135E-01
DAV: 18 -0.383363642897E+03 -0.12106E-01 -0.37204E-03 291 0.167E-01 0.939E-02
DAV: 19 -0.383372944973E+03 -0.93021E-02 -0.18060E-03 354 0.146E-01 0.153E-01
DAV: 20 -0.383380743824E+03 -0.77989E-02 -0.85919E-04 336 0.895E-02 0.963E-02
DAV: 21 -0.383385913206E+03 -0.51694E-02 -0.35410E-04 336 0.492E-02 0.615E-02
DAV: 22 -0.383388421983E+03 -0.25088E-02 -0.12623E-04 345 0.303E-02 0.278E-02
DAV: 23 -0.383391437954E+03 -0.30160E-02 -0.13894E-04 300 0.252E-02 0.169E-02
DAV: 24 -0.383393623458E+03 -0.21855E-02 -0.93035E-05 318 0.194E-02 0.241E-02
DAV: 25 -0.383394902838E+03 -0.12794E-02 -0.46312E-05 282 0.128E-02 0.136E-02
DAV: 26 -0.383395487869E+03 -0.58503E-03 -0.25540E-05 264 0.115E-02 0.559E-03
DAV: 27 -0.383395700996E+03 -0.21313E-03 -0.56961E-06 237 0.625E-03 0.692E-03
DAV: 28 -0.383395938442E+03 -0.23745E-03 -0.80501E-06 210 0.642E-03 0.436E-03
DAV: 29 -0.383396006202E+03 -0.67760E-04 -0.31932E-06 237 0.411E-03 0.315E-03
DAV: 30 -0.383396056667E+03 -0.50465E-04 -0.17650E-06 201 0.279E-03 0.134E-03
DAV: 31 -0.383396096817E+03 -0.40149E-04 -0.15030E-06 210 0.273E-03 0.104E-03
DAV: 32 -0.383396112663E+03 -0.15846E-04 -0.67255E-07 228 0.176E-03 0.107E-03
DAV: 33 -0.383396120304E+03 -0.76418E-05 -0.36298E-07 201 0.152E-03
1 F= -.38339612E+03 E0= -.38341275E+03 d E =0.498749E-01