iterations/neb0_image05_iter2_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 0.145014638997E+04 0.14501E+04 -0.44207E+04 330 0.697E+02
DAV: 2 0.232730311396E+03 -0.12174E+04 -0.11428E+04 417 0.163E+02
DAV: 3 -0.364683428176E+03 -0.59741E+03 -0.59411E+03 354 0.114E+02
DAV: 4 -0.433196817173E+03 -0.68513E+02 -0.68276E+02 309 0.495E+01
DAV: 5 -0.434703632558E+03 -0.15068E+01 -0.15040E+01 327 0.763E+00 0.426E+01
DAV: 6 -0.388906152241E+03 0.45797E+02 -0.14794E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385481467993E+03 0.34247E+01 -0.13456E+01 345 0.779E+00 0.104E+01
DAV: 8 -0.384027111899E+03 0.14544E+01 -0.23462E+00 336 0.388E+00 0.435E+00
DAV: 9 -0.383482433025E+03 0.54468E+00 -0.15137E+00 327 0.241E+00 0.127E+00
DAV: 10 -0.383401407027E+03 0.81026E-01 -0.15608E-01 327 0.113E+00 0.960E-01
DAV: 11 -0.383381976635E+03 0.19430E-01 -0.19439E-01 336 0.954E-01 0.874E-01
DAV: 12 -0.383358455941E+03 0.23521E-01 -0.17079E-01 327 0.636E-01 0.789E-01
DAV: 13 -0.383349214524E+03 0.92414E-02 -0.27965E-02 327 0.306E-01 0.429E-01
DAV: 14 -0.383335063056E+03 0.14151E-01 -0.23274E-02 309 0.422E-01 0.264E-01
DAV: 15 -0.383333318085E+03 0.17450E-02 -0.10946E-02 336 0.351E-01 0.320E-01
DAV: 16 -0.383341064267E+03 -0.77462E-02 -0.13332E-02 300 0.355E-01 0.245E-01
DAV: 17 -0.383347770979E+03 -0.67067E-02 -0.68456E-03 318 0.194E-01 0.160E-01
DAV: 18 -0.383353287425E+03 -0.55164E-02 -0.20450E-03 282 0.107E-01 0.188E-01
DAV: 19 -0.383362203867E+03 -0.89164E-02 -0.23434E-03 318 0.128E-01 0.966E-02
DAV: 20 -0.383367851543E+03 -0.56477E-02 -0.14276E-03 372 0.111E-01 0.939E-02
DAV: 21 -0.383367914667E+03 -0.63124E-04 -0.36687E-04 327 0.409E-02 0.966E-02
DAV: 22 -0.383368126604E+03 -0.21194E-03 -0.91640E-06 246 0.836E-03 0.103E-01
DAV: 23 -0.383368341263E+03 -0.21466E-03 -0.21013E-05 273 0.120E-02 0.955E-02
DAV: 24 -0.383368288639E+03 0.52624E-04 -0.26169E-06 219 0.456E-03 0.972E-02
DAV: 25 -0.383369106459E+03 -0.81782E-03 -0.11827E-04 291 0.260E-02 0.986E-02
DAV: 26 -0.383376702715E+03 -0.75963E-02 -0.76088E-03 291 0.195E-01 0.437E-01
DAV: 27 -0.383379600083E+03 -0.28974E-02 -0.15845E-03 327 0.965E-02 0.579E-01
DAV: 28 -0.383380323870E+03 -0.72379E-03 -0.17321E-04 345 0.279E-02 0.619E-01
DAV: 29 -0.383381916789E+03 -0.15929E-02 -0.36385E-04 300 0.405E-02 0.686E-01
DAV: 30 -0.383385484930E+03 -0.35681E-02 -0.18122E-03 291 0.891E-02 0.906E-01
DAV: 31 -0.383401548408E+03 -0.16063E-01 -0.17259E-02 291 0.276E-01 0.163E+00
DAV: 32 -0.383393472029E+03 0.80764E-02 -0.51271E-03 300 0.166E-01 0.128E+00
DAV: 33 -0.383391944265E+03 0.15278E-02 -0.89153E-04 336 0.680E-02 0.119E+00
DAV: 34 -0.383390934839E+03 0.10094E-02 -0.24664E-04 309 0.332E-02 0.112E+00
DAV: 35 -0.383388053299E+03 0.28815E-02 -0.15550E-03 291 0.844E-02 0.923E-01
DAV: 36 -0.383385314634E+03 0.27387E-02 -0.42643E-03 300 0.145E-01 0.656E-01
DAV: 37 -0.383384463355E+03 0.85128E-03 -0.71945E-04 309 0.640E-02 0.548E-01
DAV: 38 -0.383383760621E+03 0.70273E-03 -0.93745E-04 300 0.653E-02 0.407E-01
DAV: 39 -0.383383209365E+03 0.55126E-03 -0.39394E-03 300 0.130E-01 0.971E-02
DAV: 40 -0.383383583576E+03 -0.37421E-03 -0.50689E-04 336 0.513E-02 0.403E-02
DAV: 41 -0.383383757573E+03 -0.17400E-03 -0.78490E-05 300 0.209E-02 0.445E-02
DAV: 42 -0.383383963234E+03 -0.20566E-03 -0.63003E-05 255 0.145E-02 0.414E-02
DAV: 43 -0.383384070847E+03 -0.10761E-03 -0.43992E-05 300 0.155E-02 0.278E-02
DAV: 44 -0.383384115211E+03 -0.44364E-04 -0.41186E-05 318 0.140E-02 0.237E-02
DAV: 45 -0.383384183272E+03 -0.68060E-04 -0.15239E-05 228 0.100E-02 0.226E-02
DAV: 46 -0.383384229457E+03 -0.46185E-04 -0.92807E-06 228 0.855E-03 0.187E-02
DAV: 47 -0.383384253338E+03 -0.23881E-04 -0.24192E-06 219 0.414E-03 0.147E-02
DAV: 48 -0.383384273991E+03 -0.20653E-04 -0.37471E-06 219 0.459E-03 0.807E-03
DAV: 49 -0.383384285400E+03 -0.11409E-04 -0.15033E-06 228 0.288E-03 0.525E-03
DAV: 50 -0.383384301315E+03 -0.15915E-04 -0.97785E-07 210 0.184E-03 0.367E-03
DAV: 51 -0.383384304707E+03 -0.33924E-05 -0.41367E-07 237 0.157E-03
1 F= -.38338430E+03 E0= -.38340115E+03 d E =0.505217E-01