./iterations/neb0_image07_iter9_OSZICAR.out output for 42: 3.3A-->1.3A 712(amd-3) Si-CH3H...HO-Si two dimer closed (TSS for CH3...OH)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.163112730366E+04 0.16311E+04 -0.42288E+04 306 0.696E+02
DAV: 2 0.304469444906E+03 -0.13267E+04 -0.12473E+04 420 0.167E+02
DAV: 3 -0.357569632745E+03 -0.66204E+03 -0.65669E+03 364 0.123E+02
DAV: 4 -0.433154647763E+03 -0.75585E+02 -0.75306E+02 308 0.531E+01
DAV: 5 -0.434845812650E+03 -0.16912E+01 -0.16879E+01 332 0.817E+00 0.427E+01
DAV: 6 -0.388775522999E+03 0.46070E+02 -0.14926E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385241141047E+03 0.35344E+01 -0.12402E+01 348 0.781E+00 0.104E+01
DAV: 8 -0.383797971821E+03 0.14432E+01 -0.18478E+00 340 0.376E+00 0.416E+00
DAV: 9 -0.383247759686E+03 0.55021E+00 -0.73603E-01 332 0.193E+00 0.117E+00
DAV: 10 -0.383212298283E+03 0.35461E-01 -0.44965E-01 348 0.963E-01 0.883E-01
DAV: 11 -0.383190111752E+03 0.22187E-01 -0.17552E-01 324 0.570E-01 0.106E+00
DAV: 12 -0.383168623398E+03 0.21488E-01 -0.20019E-01 356 0.418E-01 0.676E-01
DAV: 13 -0.383147900009E+03 0.20723E-01 -0.54906E-02 348 0.557E-01 0.504E-01
DAV: 14 -0.383138548341E+03 0.93517E-02 -0.70763E-02 308 0.515E-01 0.304E-01
DAV: 15 -0.383141788634E+03 -0.32403E-02 -0.11836E-02 332 0.309E-01 0.154E-01
DAV: 16 -0.383147619580E+03 -0.58309E-02 -0.26922E-03 292 0.246E-01 0.171E-01
DAV: 17 -0.383155801150E+03 -0.81816E-02 -0.58313E-03 348 0.304E-01 0.159E-01
DAV: 18 -0.383158286449E+03 -0.24853E-02 -0.53496E-03 332 0.202E-01 0.127E-01
DAV: 19 -0.383164804599E+03 -0.65181E-02 -0.28167E-03 324 0.159E-01 0.124E-01
DAV: 20 -0.383166982335E+03 -0.21777E-02 -0.26213E-03 316 0.119E-01 0.730E-02
DAV: 21 -0.383173176294E+03 -0.61940E-02 -0.15401E-03 300 0.104E-01 0.886E-02
DAV: 22 -0.383179353029E+03 -0.61767E-02 -0.30193E-03 356 0.128E-01 0.719E-02
DAV: 23 -0.383180768791E+03 -0.14158E-02 -0.60285E-04 324 0.573E-02 0.952E-02
DAV: 24 -0.383183171723E+03 -0.24029E-02 -0.25525E-04 300 0.313E-02 0.654E-02
DAV: 25 -0.383185883315E+03 -0.27116E-02 -0.69570E-04 332 0.513E-02 0.196E-02
DAV: 26 -0.383187680470E+03 -0.17972E-02 -0.16026E-04 308 0.292E-02 0.137E-02
DAV: 27 -0.383188754845E+03 -0.10744E-02 -0.82728E-05 284 0.166E-02 0.134E-02
DAV: 28 -0.383189331089E+03 -0.57624E-03 -0.62822E-05 260 0.143E-02 0.954E-03
DAV: 29 -0.383189771259E+03 -0.44017E-03 -0.41990E-05 260 0.109E-02 0.403E-03
DAV: 30 -0.383189840529E+03 -0.69270E-04 -0.52504E-06 236 0.484E-03 0.256E-03
DAV: 31 -0.383189960621E+03 -0.12009E-03 -0.65212E-06 196 0.590E-03 0.357E-03
DAV: 32 -0.383190020125E+03 -0.59504E-04 -0.33087E-06 220 0.368E-03 0.156E-03
DAV: 33 -0.383190045472E+03 -0.25347E-04 -0.24933E-06 228 0.388E-03 0.266E-03
DAV: 34 -0.383190068824E+03 -0.23352E-04 -0.18132E-06 196 0.282E-03 0.677E-04
DAV: 35 -0.383190074589E+03 -0.57650E-05 -0.50367E-07 228 0.152E-03
1 F= -.38319007E+03 E0= -.38321185E+03 d E =0.653214E-01