iterations/neb0_image09_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 0.146641710955E+04 0.14664E+04 -0.42059E+04 312 0.696E+02
DAV: 2 0.276939048578E+03 -0.11895E+04 -0.11219E+04 408 0.161E+02
DAV: 3 -0.299327215335E+03 -0.57627E+03 -0.56464E+03 363 0.115E+02
DAV: 4 -0.370124653720E+03 -0.70797E+02 -0.68666E+02 300 0.461E+01
DAV: 5 -0.372217728112E+03 -0.20931E+01 -0.20797E+01 309 0.827E+00 0.444E+01
DAV: 6 -0.377041257236E+03 -0.48235E+01 -0.62550E+02 327 0.340E+01 0.438E+01
DAV: 7 -0.341465143068E+03 0.35576E+02 -0.24330E+02 339 0.156E+01 0.285E+01
DAV: 8 -0.332039621201E+03 0.94255E+01 -0.22018E+01 336 0.939E+00 0.232E+01
DAV: 9 -0.327143124255E+03 0.48965E+01 -0.41019E+01 327 0.782E+00 0.229E+01
DAV: 10 -0.329642857978E+03 -0.24997E+01 -0.71539E+01 327 0.536E+00 0.278E+01
DAV: 11 -0.325026728908E+03 0.46161E+01 -0.35547E+01 336 0.370E+00 0.178E+01
DAV: 12 -0.326823769925E+03 -0.17970E+01 -0.18292E+01 336 0.348E+00 0.201E+01
DAV: 13 -0.323158349332E+03 0.36654E+01 -0.55660E+00 318 0.225E+00 0.185E+01
DAV: 14 -0.321575054398E+03 0.15833E+01 -0.21997E+00 291 0.116E+00 0.101E+01
DAV: 15 -0.322102137646E+03 -0.52708E+00 -0.39723E+00 408 0.980E-01 0.182E+01
DAV: 16 -0.320863342511E+03 0.12388E+01 -0.10763E+00 318 0.581E-01 0.849E+00
DAV: 17 -0.321950231853E+03 -0.10869E+01 -0.63307E+00 309 0.871E-01 0.179E+01
DAV: 18 -0.321132203553E+03 0.81803E+00 -0.36714E+00 345 0.721E-01 0.158E+01
DAV: 19 -0.321029262349E+03 0.10294E+00 -0.61814E+00 345 0.839E-01 0.136E+01
DAV: 20 -0.321610570941E+03 -0.58131E+00 -0.11146E+01 291 0.700E-01 0.177E+01
DAV: 21 -0.320642793526E+03 0.96778E+00 -0.49509E+00 309 0.596E-01 0.821E+00
DAV: 22 -0.320832907168E+03 -0.19011E+00 -0.65579E-01 336 0.545E-01 0.124E+01
DAV: 23 -0.320655399457E+03 0.17751E+00 -0.15649E+00 309 0.462E-01 0.470E+00
DAV: 24 -0.320635024131E+03 0.20375E-01 -0.77436E-02 300 0.282E-01 0.428E+00
DAV: 25 -0.320656755326E+03 -0.21731E-01 -0.62201E-01 300 0.226E-01 0.818E+00
DAV: 26 -0.320661160671E+03 -0.44053E-02 -0.73699E-02 291 0.310E-01 0.882E+00
DAV: 27 -0.320560107692E+03 0.10105E+00 -0.14470E-01 318 0.187E-01 0.308E+00
DAV: 28 -0.320607207931E+03 -0.47100E-01 -0.27640E-01 309 0.169E-01 0.438E+00
DAV: 29 -0.320583683958E+03 0.23524E-01 -0.22341E-01 318 0.201E-01 0.107E+00
DAV: 30 -0.320609986859E+03 -0.26303E-01 -0.50077E-02 300 0.137E-01 0.348E+00
DAV: 31 -0.320598027056E+03 0.11960E-01 -0.91131E-02 291 0.126E-01 0.890E-01
DAV: 32 -0.320628100401E+03 -0.30073E-01 -0.49711E-02 318 0.127E-01 0.405E+00
DAV: 33 -0.320612858494E+03 0.15242E-01 -0.10511E-02 309 0.972E-02 0.234E+00
DAV: 34 -0.320611206252E+03 0.16522E-02 -0.22720E-02 327 0.715E-02 0.673E-01
DAV: 35 -0.320620067716E+03 -0.88615E-02 -0.85728E-04 291 0.687E-02 0.939E-01
DAV: 36 -0.320622330125E+03 -0.22624E-02 -0.37171E-03 300 0.346E-02 0.664E-01
DAV: 37 -0.320626586279E+03 -0.42562E-02 -0.73711E-03 300 0.411E-02 0.716E-01
DAV: 38 -0.320627245615E+03 -0.65934E-03 -0.18876E-03 318 0.285E-02 0.928E-02
DAV: 39 -0.320629093104E+03 -0.18475E-02 -0.27908E-04 255 0.196E-02 0.238E-01
DAV: 40 -0.320629987267E+03 -0.89416E-03 -0.12677E-04 246 0.119E-02 0.365E-02
DAV: 41 -0.320630876186E+03 -0.88892E-03 -0.46197E-05 246 0.937E-03 0.551E-02
DAV: 42 -0.320631228646E+03 -0.35246E-03 -0.22699E-05 246 0.550E-03 0.364E-02
DAV: 43 -0.320631479210E+03 -0.25056E-03 -0.98192E-06 237 0.434E-03 0.783E-03
DAV: 44 -0.320631670823E+03 -0.19161E-03 -0.84084E-06 219 0.383E-03 0.333E-02
DAV: 45 -0.320631757283E+03 -0.86459E-04 -0.73752E-06 219 0.267E-03 0.112E-02
DAV: 46 -0.320631807416E+03 -0.50133E-04 -0.35002E-06 228 0.228E-03 0.211E-02
DAV: 47 -0.320631833789E+03 -0.26373E-04 -0.13203E-06 192 0.167E-03 0.119E-02
DAV: 48 -0.320631845784E+03 -0.11996E-04 -0.12197E-06 210 0.116E-03 0.983E-03
DAV: 49 -0.320631851915E+03 -0.61305E-05 -0.28637E-07 192 0.906E-04
1 F= -.32063185E+03 E0= -.32054114E+03 d E =-.272143E+00