./iterations/neb0_image01_iter21_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 0.150966352517E+04 0.15097E+04 -0.43516E+04 322 0.697E+02
DAV: 2 0.252988374529E+03 -0.12567E+04 -0.11789E+04 428 0.164E+02
DAV: 3 -0.355191614918E+03 -0.60818E+03 -0.60434E+03 348 0.118E+02
DAV: 4 -0.433286400669E+03 -0.78095E+02 -0.77770E+02 316 0.534E+01
DAV: 5 -0.435125771269E+03 -0.18394E+01 -0.18363E+01 340 0.827E+00 0.426E+01
DAV: 6 -0.389197722563E+03 0.45928E+02 -0.14922E+02 308 0.287E+01 0.208E+01
DAV: 7 -0.385739789562E+03 0.34579E+01 -0.12503E+01 340 0.775E+00 0.104E+01
DAV: 8 -0.384309043394E+03 0.14307E+01 -0.18298E+00 332 0.368E+00 0.420E+00
DAV: 9 -0.383777025697E+03 0.53202E+00 -0.86982E-01 332 0.193E+00 0.133E+00
DAV: 10 -0.383727665036E+03 0.49361E-01 -0.46537E-01 348 0.922E-01 0.867E-01
DAV: 11 -0.383695807123E+03 0.31858E-01 -0.71368E-02 316 0.510E-01 0.818E-01
DAV: 12 -0.383681712659E+03 0.14094E-01 -0.10506E-01 332 0.359E-01 0.654E-01
DAV: 13 -0.383672815769E+03 0.88969E-02 -0.22544E-01 364 0.578E-01 0.101E+00
DAV: 14 -0.383656653477E+03 0.16162E-01 -0.25840E-01 308 0.460E-01 0.475E-01
DAV: 15 -0.383658684788E+03 -0.20313E-02 -0.11032E-02 308 0.273E-01 0.266E-01
DAV: 16 -0.383670736796E+03 -0.12052E-01 -0.79123E-03 308 0.325E-01 0.125E-01
DAV: 17 -0.383682903609E+03 -0.12167E-01 -0.98044E-03 340 0.267E-01 0.327E-01
DAV: 18 -0.383685169748E+03 -0.22661E-02 -0.22350E-03 316 0.120E-01 0.286E-01
DAV: 19 -0.383689421567E+03 -0.42518E-02 -0.65756E-04 300 0.721E-02 0.273E-01
DAV: 20 -0.383696304758E+03 -0.68832E-02 -0.16019E-03 356 0.117E-01 0.114E-01
DAV: 21 -0.383699201737E+03 -0.28970E-02 -0.66327E-04 332 0.850E-02 0.839E-02
DAV: 22 -0.383701918788E+03 -0.27171E-02 -0.30606E-04 372 0.629E-02 0.852E-02
DAV: 23 -0.383700937733E+03 0.98106E-03 -0.11156E-04 316 0.388E-02 0.698E-02
DAV: 24 -0.383700699669E+03 0.23806E-03 -0.19924E-04 404 0.498E-02 0.811E-02
DAV: 25 -0.383702224589E+03 -0.15249E-02 -0.58630E-04 364 0.995E-02 0.113E-01
DAV: 26 -0.383706402080E+03 -0.41775E-02 -0.14997E-03 356 0.181E-01 0.126E-01
DAV: 27 -0.383706920038E+03 -0.51796E-03 -0.19089E-03 340 0.122E-01 0.151E-01
DAV: 28 -0.383708709582E+03 -0.17895E-02 -0.53695E-04 316 0.102E-01 0.140E-01
DAV: 29 -0.383709791943E+03 -0.10824E-02 -0.12142E-03 388 0.150E-01 0.108E-01
DAV: 30 -0.383711042337E+03 -0.12504E-02 -0.15204E-03 340 0.131E-01 0.942E-02
DAV: 31 -0.383711425436E+03 -0.38310E-03 -0.52098E-04 364 0.748E-02 0.967E-02
DAV: 32 -0.383711353785E+03 0.71651E-04 -0.14551E-04 380 0.631E-02 0.107E-01
DAV: 33 -0.383711445312E+03 -0.91527E-04 -0.88240E-05 308 0.272E-02 0.916E-02
DAV: 34 -0.383711549735E+03 -0.10442E-03 -0.14632E-05 260 0.205E-02 0.858E-02
DAV: 35 -0.383712397683E+03 -0.84795E-03 -0.21757E-04 364 0.962E-02 0.583E-02
DAV: 36 -0.383713457610E+03 -0.10599E-02 -0.14340E-03 388 0.214E-01 0.403E-02
DAV: 37 -0.383714001570E+03 -0.54396E-03 -0.19310E-03 324 0.116E-01 0.679E-02
DAV: 38 -0.383714095439E+03 -0.93869E-04 -0.33685E-04 332 0.449E-02 0.792E-02
DAV: 39 -0.383714088084E+03 0.73546E-05 -0.66584E-06 220 0.829E-03
1 F= -.38371409E+03 E0= -.38373164E+03 d E =0.526682E-01