iterations/neb0_image01_iter20_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 0.161676814074E+04 0.16168E+04 -0.42275E+04 306 0.697E+02
DAV: 2 0.296242115295E+03 -0.13205E+04 -0.12433E+04 420 0.168E+02
DAV: 3 -0.358061704288E+03 -0.65430E+03 -0.65074E+03 364 0.123E+02
DAV: 4 -0.433525140093E+03 -0.75463E+02 -0.75160E+02 308 0.519E+01
DAV: 5 -0.435236749411E+03 -0.17116E+01 -0.17087E+01 332 0.797E+00 0.427E+01
DAV: 6 -0.389150551596E+03 0.46086E+02 -0.15048E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385620297255E+03 0.35303E+01 -0.12379E+01 340 0.767E+00 0.104E+01
DAV: 8 -0.384166001857E+03 0.14543E+01 -0.23866E+00 332 0.379E+00 0.433E+00
DAV: 9 -0.383611231785E+03 0.55477E+00 -0.13104E+00 324 0.213E+00 0.108E+00
DAV: 10 -0.383547970213E+03 0.63262E-01 -0.11601E-01 340 0.925E-01 0.782E-01
DAV: 11 -0.383509295334E+03 0.38675E-01 -0.74072E-02 324 0.681E-01 0.543E-01
DAV: 12 -0.383498587018E+03 0.10708E-01 -0.89209E-02 372 0.554E-01 0.776E-01
DAV: 13 -0.383490172066E+03 0.84150E-02 -0.83517E-02 324 0.356E-01 0.358E-01
DAV: 14 -0.383490765166E+03 -0.59310E-03 -0.24530E-02 308 0.298E-01 0.464E-01
DAV: 15 -0.383490019605E+03 0.74556E-03 -0.19167E-02 316 0.285E-01 0.283E-01
DAV: 16 -0.383495212999E+03 -0.51934E-02 -0.12809E-02 324 0.183E-01 0.158E-01
DAV: 17 -0.383506364316E+03 -0.11151E-01 -0.25902E-03 276 0.141E-01 0.875E-02
DAV: 18 -0.383521305232E+03 -0.14941E-01 -0.28241E-03 300 0.137E-01 0.161E-01
DAV: 19 -0.383528049407E+03 -0.67442E-02 -0.16901E-03 340 0.989E-02 0.632E-02
DAV: 20 -0.383533656713E+03 -0.56073E-02 -0.55476E-04 316 0.510E-02 0.787E-02
DAV: 21 -0.383538805852E+03 -0.51491E-02 -0.49849E-04 308 0.429E-02 0.204E-02
DAV: 22 -0.383543231690E+03 -0.44258E-02 -0.29361E-04 308 0.339E-02 0.270E-02
DAV: 23 -0.383544331885E+03 -0.11002E-02 -0.32622E-05 268 0.133E-02 0.195E-02
DAV: 24 -0.383545582944E+03 -0.12511E-02 -0.92770E-05 300 0.177E-02 0.943E-03
DAV: 25 -0.383545970701E+03 -0.38776E-03 -0.10099E-05 228 0.849E-03 0.678E-03
DAV: 26 -0.383546395195E+03 -0.42449E-03 -0.26859E-05 236 0.913E-03 0.490E-03
DAV: 27 -0.383546490603E+03 -0.95408E-04 -0.28381E-06 236 0.428E-03 0.221E-03
DAV: 28 -0.383546591000E+03 -0.10040E-03 -0.34746E-06 196 0.376E-03 0.159E-03
DAV: 29 -0.383546631630E+03 -0.40630E-04 -0.11972E-06 228 0.210E-03 0.240E-03
DAV: 30 -0.383546667145E+03 -0.35515E-04 -0.89380E-07 204 0.206E-03 0.920E-04
DAV: 31 -0.383546686677E+03 -0.19532E-04 -0.11916E-06 220 0.208E-03 0.149E-03
DAV: 32 -0.383546687821E+03 -0.11439E-05 -0.20647E-07 236 0.106E-03
1 F= -.38354669E+03 E0= -.38355978E+03 d E =0.392721E-01