iterations/neb0_image01_iter18_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 0.161674633390E+04 0.16167E+04 -0.42275E+04 306 0.697E+02
DAV: 2 0.296248107026E+03 -0.13205E+04 -0.12433E+04 420 0.168E+02
DAV: 3 -0.358047978084E+03 -0.65430E+03 -0.65074E+03 364 0.123E+02
DAV: 4 -0.433521078746E+03 -0.75473E+02 -0.75170E+02 308 0.519E+01
DAV: 5 -0.435233067712E+03 -0.17120E+01 -0.17091E+01 332 0.797E+00 0.427E+01
DAV: 6 -0.389149085901E+03 0.46084E+02 -0.15048E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385619040860E+03 0.35300E+01 -0.12378E+01 340 0.767E+00 0.104E+01
DAV: 8 -0.384165943165E+03 0.14531E+01 -0.23113E+00 332 0.377E+00 0.431E+00
DAV: 9 -0.383607498888E+03 0.55844E+00 -0.12364E+00 324 0.213E+00 0.106E+00
DAV: 10 -0.383546350252E+03 0.61149E-01 -0.11163E-01 340 0.905E-01 0.788E-01
DAV: 11 -0.383507416156E+03 0.38934E-01 -0.78297E-02 324 0.692E-01 0.532E-01
DAV: 12 -0.383497871230E+03 0.95449E-02 -0.90981E-02 364 0.517E-01 0.804E-01
DAV: 13 -0.383490161348E+03 0.77099E-02 -0.14546E-01 340 0.379E-01 0.371E-01
DAV: 14 -0.383486956532E+03 0.32048E-02 -0.20315E-02 300 0.310E-01 0.243E-01
DAV: 15 -0.383492069579E+03 -0.51130E-02 -0.11565E-02 308 0.264E-01 0.186E-01
DAV: 16 -0.383496300373E+03 -0.42308E-02 -0.72321E-03 332 0.169E-01 0.158E-01
DAV: 17 -0.383508087514E+03 -0.11787E-01 -0.43259E-03 268 0.127E-01 0.869E-02
DAV: 18 -0.383520551495E+03 -0.12464E-01 -0.23783E-03 300 0.115E-01 0.101E-01
DAV: 19 -0.383528500359E+03 -0.79489E-02 -0.10037E-03 332 0.831E-02 0.401E-02
DAV: 20 -0.383534070917E+03 -0.55706E-02 -0.67486E-04 332 0.521E-02 0.545E-02
DAV: 21 -0.383537695985E+03 -0.36251E-02 -0.28357E-04 340 0.384E-02 0.186E-02
DAV: 22 -0.383542241280E+03 -0.45453E-02 -0.29511E-04 300 0.319E-02 0.230E-02
DAV: 23 -0.383543763345E+03 -0.15221E-02 -0.65150E-05 300 0.155E-02 0.103E-02
DAV: 24 -0.383544938359E+03 -0.11750E-02 -0.77835E-05 316 0.172E-02 0.100E-02
DAV: 25 -0.383545358382E+03 -0.42002E-03 -0.13744E-05 228 0.827E-03 0.534E-03
DAV: 26 -0.383545677091E+03 -0.31871E-03 -0.22590E-05 244 0.952E-03 0.620E-03
DAV: 27 -0.383545725706E+03 -0.48614E-04 -0.22000E-06 236 0.414E-03 0.313E-03
DAV: 28 -0.383545818280E+03 -0.92575E-04 -0.32022E-06 196 0.413E-03 0.119E-03
DAV: 29 -0.383545848631E+03 -0.30351E-04 -0.12179E-06 228 0.225E-03 0.204E-03
DAV: 30 -0.383545867320E+03 -0.18689E-04 -0.46299E-07 220 0.178E-03 0.103E-03
DAV: 31 -0.383545898913E+03 -0.31593E-04 -0.15532E-06 196 0.249E-03 0.156E-03
DAV: 32 -0.383545901639E+03 -0.27255E-05 -0.26506E-07 228 0.126E-03
1 F= -.38354590E+03 E0= -.38355889E+03 d E =0.389714E-01