./iterations/neb0_image09_iter12_OSZICAR.out output for 3: 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
running
N E dE d eps ncg rms rms(c)
DAV: 1 0.145542945657E+04 0.14554E+04 -0.44283E+04 330 0.697E+02
DAV: 2 0.236249660436E+03 -0.12192E+04 -0.11444E+04 417 0.163E+02
DAV: 3 -0.361390936845E+03 -0.59764E+03 -0.59428E+03 354 0.114E+02
DAV: 4 -0.432646434385E+03 -0.71255E+02 -0.70965E+02 318 0.501E+01
DAV: 5 -0.434230669312E+03 -0.15842E+01 -0.15814E+01 318 0.780E+00 0.428E+01
DAV: 6 -0.388229782315E+03 0.46001E+02 -0.14826E+02 309 0.287E+01 0.209E+01
DAV: 7 -0.384750252268E+03 0.34795E+01 -0.13121E+01 345 0.789E+00 0.104E+01
DAV: 8 -0.383315846439E+03 0.14344E+01 -0.26334E+00 336 0.401E+00 0.434E+00
DAV: 9 -0.382759513390E+03 0.55633E+00 -0.86767E-01 336 0.219E+00 0.130E+00
DAV: 10 -0.382699187110E+03 0.60326E-01 -0.44580E-01 345 0.115E+00 0.822E-01
DAV: 11 -0.382663490453E+03 0.35697E-01 -0.47208E-02 318 0.574E-01 0.641E-01
DAV: 12 -0.382648154384E+03 0.15336E-01 -0.36397E-02 381 0.490E-01 0.574E-01
DAV: 13 -0.382625548659E+03 0.22606E-01 -0.23763E-02 309 0.457E-01 0.239E-01
DAV: 14 -0.382622651135E+03 0.28975E-02 -0.10652E-02 318 0.328E-01 0.176E-01
DAV: 15 -0.382631161929E+03 -0.85108E-02 -0.91510E-03 336 0.353E-01 0.142E-01
DAV: 16 -0.382640263963E+03 -0.91020E-02 -0.47730E-03 309 0.233E-01 0.188E-01
DAV: 17 -0.382645091976E+03 -0.48280E-02 -0.16982E-03 363 0.138E-01 0.159E-01
DAV: 18 -0.382652124601E+03 -0.70326E-02 -0.18519E-03 300 0.108E-01 0.671E-02
DAV: 19 -0.382659564990E+03 -0.74404E-02 -0.94997E-04 309 0.922E-02 0.548E-02
DAV: 20 -0.382664401020E+03 -0.48360E-02 -0.48664E-04 327 0.528E-02 0.392E-02
DAV: 21 -0.382669311327E+03 -0.49103E-02 -0.24857E-04 309 0.351E-02 0.153E-02
DAV: 22 -0.382672947264E+03 -0.36359E-02 -0.20582E-04 309 0.271E-02 0.163E-02
DAV: 23 -0.382674816498E+03 -0.18692E-02 -0.93290E-05 300 0.171E-02 0.101E-02
DAV: 24 -0.382675621393E+03 -0.80490E-03 -0.31969E-05 282 0.105E-02 0.558E-03
DAV: 25 -0.382676057087E+03 -0.43569E-03 -0.15275E-05 228 0.815E-03 0.306E-03
DAV: 26 -0.382676205670E+03 -0.14858E-03 -0.44436E-06 228 0.545E-03 0.259E-03
DAV: 27 -0.382676314379E+03 -0.10871E-03 -0.44375E-06 192 0.505E-03 0.361E-03
DAV: 28 -0.382676348263E+03 -0.33885E-04 -0.15172E-06 228 0.302E-03 0.199E-03
DAV: 29 -0.382676365527E+03 -0.17264E-04 -0.13543E-06 219 0.331E-03 0.111E-03
DAV: 30 -0.382676376002E+03 -0.10474E-04 -0.48345E-07 201 0.183E-03 0.658E-04
DAV: 31 -0.382676388079E+03 -0.12078E-04 -0.38658E-07 210 0.123E-03 0.580E-04
DAV: 32 -0.382676396909E+03 -0.88300E-05 -0.25250E-07 219 0.105E-03
1 F= -.38267640E+03 E0= -.38268948E+03 d E =0.392437E-01