iterations/neb0_image02_iter24_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 0.161788632633E+04 0.16179E+04 -0.42272E+04 306 0.697E+02
DAV: 2 0.296692327908E+03 -0.13212E+04 -0.12439E+04 420 0.168E+02
DAV: 3 -0.358026839869E+03 -0.65472E+03 -0.65101E+03 364 0.123E+02
DAV: 4 -0.433480843431E+03 -0.75454E+02 -0.75140E+02 316 0.520E+01
DAV: 5 -0.435192237295E+03 -0.17114E+01 -0.17087E+01 332 0.797E+00 0.427E+01
DAV: 6 -0.389123511734E+03 0.46069E+02 -0.15034E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385607640360E+03 0.35159E+01 -0.12499E+01 340 0.769E+00 0.104E+01
DAV: 8 -0.384165650960E+03 0.14420E+01 -0.25769E+00 332 0.385E+00 0.431E+00
DAV: 9 -0.383580901215E+03 0.58475E+00 -0.63090E-01 324 0.196E+00 0.975E-01
DAV: 10 -0.383522951376E+03 0.57950E-01 -0.16106E-01 348 0.969E-01 0.761E-01
DAV: 11 -0.383510220693E+03 0.12731E-01 -0.77773E-02 364 0.491E-01 0.713E-01
DAV: 12 -0.383497051709E+03 0.13169E-01 -0.17974E-01 348 0.455E-01 0.776E-01
DAV: 13 -0.383485734583E+03 0.11317E-01 -0.12230E-01 324 0.376E-01 0.653E-01
DAV: 14 -0.383480434830E+03 0.52998E-02 -0.46492E-02 348 0.290E-01 0.254E-01
DAV: 15 -0.383482735423E+03 -0.23006E-02 -0.12163E-02 308 0.248E-01 0.178E-01
DAV: 16 -0.383488348529E+03 -0.56131E-02 -0.48660E-03 300 0.186E-01 0.136E-01
DAV: 17 -0.383500762304E+03 -0.12414E-01 -0.37101E-03 292 0.156E-01 0.129E-01
DAV: 18 -0.383511672001E+03 -0.10910E-01 -0.41508E-03 300 0.160E-01 0.569E-02
DAV: 19 -0.383519791020E+03 -0.81190E-02 -0.11232E-03 316 0.808E-02 0.603E-02
DAV: 20 -0.383525002984E+03 -0.52120E-02 -0.23328E-04 324 0.359E-02 0.383E-02
DAV: 21 -0.383533698525E+03 -0.86955E-02 -0.66696E-04 300 0.490E-02 0.268E-02
DAV: 22 -0.383535378785E+03 -0.16803E-02 -0.66035E-05 316 0.224E-02 0.197E-02
DAV: 23 -0.383538125239E+03 -0.27465E-02 -0.19333E-04 300 0.303E-02 0.151E-02
DAV: 24 -0.383539067174E+03 -0.94194E-03 -0.37368E-05 260 0.140E-02 0.850E-03
DAV: 25 -0.383540132741E+03 -0.10656E-02 -0.74756E-05 300 0.182E-02 0.594E-03
DAV: 26 -0.383540338818E+03 -0.20608E-03 -0.70055E-06 228 0.724E-03 0.375E-03
DAV: 27 -0.383540522519E+03 -0.18370E-03 -0.12233E-05 244 0.806E-03 0.481E-03
DAV: 28 -0.383540603469E+03 -0.80950E-04 -0.21425E-06 228 0.469E-03 0.291E-03
DAV: 29 -0.383540664734E+03 -0.61266E-04 -0.50186E-06 212 0.592E-03 0.225E-03
DAV: 30 -0.383540706595E+03 -0.41861E-04 -0.13144E-06 220 0.271E-03 0.189E-03
DAV: 31 -0.383540726406E+03 -0.19810E-04 -0.73940E-07 220 0.180E-03 0.126E-03
DAV: 32 -0.383540734991E+03 -0.85853E-05 -0.53472E-07 228 0.204E-03
1 F= -.38354073E+03 E0= -.38355791E+03 d E =0.515331E-01