iterations/neb0_image04_iter16_OSZICAR.out output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.161895593150E+04 0.16190E+04 -0.42281E+04 306 0.697E+02
DAV: 2 0.298021315895E+03 -0.13209E+04 -0.12420E+04 420 0.168E+02
DAV: 3 -0.354106452142E+03 -0.65213E+03 -0.64855E+03 356 0.123E+02
DAV: 4 -0.433258957044E+03 -0.79153E+02 -0.78812E+02 316 0.540E+01
DAV: 5 -0.435103746707E+03 -0.18448E+01 -0.18425E+01 340 0.830E+00 0.427E+01
DAV: 6 -0.389062345710E+03 0.46041E+02 -0.15048E+02 316 0.286E+01 0.208E+01
DAV: 7 -0.385567186371E+03 0.34952E+01 -0.12518E+01 340 0.769E+00 0.104E+01
DAV: 8 -0.384131144239E+03 0.14360E+01 -0.24399E+00 332 0.385E+00 0.430E+00
DAV: 9 -0.383572515466E+03 0.55863E+00 -0.75544E-01 324 0.197E+00 0.119E+00
DAV: 10 -0.383524126244E+03 0.48389E-01 -0.52109E-01 348 0.106E+00 0.793E-01
DAV: 11 -0.383497762402E+03 0.26364E-01 -0.31652E-02 324 0.486E-01 0.657E-01
DAV: 12 -0.383475498516E+03 0.22264E-01 -0.12505E-01 372 0.670E-01 0.780E-01
DAV: 13 -0.383470495000E+03 0.50035E-02 -0.11123E-01 348 0.403E-01 0.762E-01
DAV: 14 -0.383462796122E+03 0.76989E-02 -0.12593E-01 316 0.370E-01 0.322E-01
DAV: 15 -0.383465607463E+03 -0.28113E-02 -0.81537E-03 316 0.230E-01 0.327E-01
DAV: 16 -0.383475524047E+03 -0.99166E-02 -0.24178E-02 308 0.282E-01 0.233E-01
DAV: 17 -0.383484205856E+03 -0.86818E-02 -0.42566E-03 316 0.189E-01 0.146E-01
DAV: 18 -0.383490489426E+03 -0.62836E-02 -0.11168E-03 308 0.919E-02 0.110E-01
DAV: 19 -0.383501454695E+03 -0.10965E-01 -0.16803E-03 284 0.871E-02 0.695E-02
DAV: 20 -0.383508066883E+03 -0.66122E-02 -0.62427E-04 308 0.606E-02 0.529E-02
DAV: 21 -0.383512477379E+03 -0.44105E-02 -0.46443E-04 372 0.633E-02 0.640E-02
DAV: 22 -0.383517003227E+03 -0.45258E-02 -0.27753E-04 308 0.385E-02 0.294E-02
DAV: 23 -0.383518692600E+03 -0.16894E-02 -0.10043E-04 308 0.205E-02 0.168E-02
DAV: 24 -0.383520619160E+03 -0.19266E-02 -0.12108E-04 308 0.261E-02 0.204E-02
DAV: 25 -0.383521462051E+03 -0.84289E-03 -0.41847E-05 292 0.135E-02 0.110E-02
DAV: 26 -0.383521832650E+03 -0.37060E-03 -0.11559E-05 228 0.862E-03 0.513E-03
DAV: 27 -0.383522167110E+03 -0.33446E-03 -0.22154E-05 236 0.887E-03 0.422E-03
DAV: 28 -0.383522209798E+03 -0.42688E-04 -0.15440E-06 236 0.471E-03 0.316E-03
DAV: 29 -0.383522282403E+03 -0.72605E-04 -0.56065E-06 196 0.671E-03 0.401E-03
DAV: 30 -0.383522312611E+03 -0.30208E-04 -0.14292E-06 220 0.467E-03 0.198E-03
DAV: 31 -0.383522345792E+03 -0.33181E-04 -0.30495E-06 204 0.457E-03 0.189E-03
DAV: 32 -0.383522367964E+03 -0.22171E-04 -0.75787E-07 220 0.229E-03 0.140E-03
DAV: 33 -0.383522377286E+03 -0.93222E-05 -0.86983E-07 228 0.273E-03
1 F= -.38352238E+03 E0= -.38353551E+03 d E =0.393882E-01