iterations/neb0_image01_iter40_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 0.143328536269E+04 0.14333E+04 -0.44073E+04 330 0.697E+02
DAV: 2 0.225336032315E+03 -0.12079E+04 -0.11329E+04 426 0.162E+02
DAV: 3 -0.358858398447E+03 -0.58419E+03 -0.58039E+03 354 0.113E+02
DAV: 4 -0.430232853099E+03 -0.71374E+02 -0.71049E+02 309 0.506E+01
DAV: 5 -0.431889585590E+03 -0.16567E+01 -0.16530E+01 336 0.784E+00 0.421E+01
DAV: 6 -0.386453165012E+03 0.45436E+02 -0.14748E+02 309 0.283E+01 0.206E+01
DAV: 7 -0.383057700588E+03 0.33955E+01 -0.13221E+01 336 0.797E+00 0.104E+01
DAV: 8 -0.381544965997E+03 0.15127E+01 -0.20134E+00 327 0.396E+00 0.427E+00
DAV: 9 -0.380988019148E+03 0.55695E+00 -0.73249E-01 327 0.207E+00 0.124E+00
DAV: 10 -0.380948132016E+03 0.39887E-01 -0.49402E-01 381 0.115E+00 0.757E-01
DAV: 11 -0.380919764945E+03 0.28367E-01 -0.35786E-02 327 0.480E-01 0.556E-01
DAV: 12 -0.380893497388E+03 0.26268E-01 -0.34899E-02 318 0.465E-01 0.383E-01
DAV: 13 -0.380883298899E+03 0.10198E-01 -0.42849E-02 381 0.433E-01 0.368E-01
DAV: 14 -0.380881853502E+03 0.14454E-02 -0.64241E-03 354 0.265E-01 0.366E-01
DAV: 15 -0.380883598440E+03 -0.17449E-02 -0.59105E-03 336 0.216E-01 0.227E-01
DAV: 16 -0.380892706495E+03 -0.91081E-02 -0.39441E-03 300 0.219E-01 0.182E-01
DAV: 17 -0.380900640861E+03 -0.79344E-02 -0.40983E-03 309 0.201E-01 0.118E-01
DAV: 18 -0.380910776704E+03 -0.10136E-01 -0.28513E-03 336 0.191E-01 0.188E-01
DAV: 19 -0.380917230347E+03 -0.64536E-02 -0.14355E-03 336 0.117E-01 0.628E-02
DAV: 20 -0.380923033040E+03 -0.58027E-02 -0.64379E-04 336 0.768E-02 0.785E-02
DAV: 21 -0.380926301477E+03 -0.32684E-02 -0.27558E-04 327 0.445E-02 0.458E-02
DAV: 22 -0.380929778971E+03 -0.34775E-02 -0.19222E-04 291 0.448E-02 0.323E-02
DAV: 23 -0.380931650251E+03 -0.18713E-02 -0.15423E-04 318 0.268E-02 0.234E-02
DAV: 24 -0.380933713841E+03 -0.20636E-02 -0.12287E-04 300 0.235E-02 0.190E-02
DAV: 25 -0.380934292851E+03 -0.57901E-03 -0.28213E-05 318 0.128E-02 0.114E-02
DAV: 26 -0.380934871447E+03 -0.57860E-03 -0.15134E-05 219 0.871E-03 0.443E-03
DAV: 27 -0.380935381620E+03 -0.51017E-03 -0.27871E-05 264 0.861E-03 0.486E-03
DAV: 28 -0.380935495117E+03 -0.11350E-03 -0.28052E-06 237 0.418E-03 0.458E-03
DAV: 29 -0.380935600863E+03 -0.10575E-03 -0.34830E-06 210 0.377E-03 0.275E-03
DAV: 30 -0.380935651887E+03 -0.51025E-04 -0.23299E-06 228 0.319E-03 0.142E-03
DAV: 31 -0.380935682873E+03 -0.30986E-04 -0.10970E-06 228 0.231E-03 0.113E-03
DAV: 32 -0.380935698932E+03 -0.16059E-04 -0.81155E-07 228 0.187E-03 0.989E-04
DAV: 33 -0.380935706988E+03 -0.80561E-05 -0.36331E-07 228 0.139E-03
1 F= -.38093571E+03 E0= -.38095280E+03 d E =0.512693E-01