iterations/neb0_image01_iter3_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 0.161670749588E+04 0.16167E+04 -0.42275E+04 306 0.697E+02
DAV: 2 0.296153870765E+03 -0.13206E+04 -0.12434E+04 420 0.168E+02
DAV: 3 -0.358054252346E+03 -0.65421E+03 -0.65065E+03 364 0.123E+02
DAV: 4 -0.433521700629E+03 -0.75467E+02 -0.75157E+02 316 0.519E+01
DAV: 5 -0.435225941058E+03 -0.17042E+01 -0.17016E+01 332 0.796E+00 0.427E+01
DAV: 6 -0.389142463380E+03 0.46083E+02 -0.15042E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385618572385E+03 0.35239E+01 -0.12476E+01 340 0.768E+00 0.104E+01
DAV: 8 -0.384172200359E+03 0.14464E+01 -0.26578E+00 332 0.387E+00 0.430E+00
DAV: 9 -0.383585915964E+03 0.58628E+00 -0.62898E-01 332 0.196E+00 0.103E+00
DAV: 10 -0.383538258724E+03 0.47657E-01 -0.37337E-01 332 0.111E+00 0.117E+00
DAV: 11 -0.383515895375E+03 0.22363E-01 -0.18392E-01 316 0.529E-01 0.764E-01
DAV: 12 -0.383506399177E+03 0.94962E-02 -0.64144E-02 324 0.376E-01 0.597E-01
DAV: 13 -0.383490784571E+03 0.15615E-01 -0.12370E-01 332 0.513E-01 0.654E-01
DAV: 14 -0.383481656860E+03 0.91277E-02 -0.62759E-02 308 0.358E-01 0.290E-01
DAV: 15 -0.383482997942E+03 -0.13411E-02 -0.86401E-03 308 0.287E-01 0.188E-01
DAV: 16 -0.383492003975E+03 -0.90060E-02 -0.47341E-03 308 0.192E-01 0.165E-01
DAV: 17 -0.383504779195E+03 -0.12775E-01 -0.34731E-03 308 0.163E-01 0.103E-01
DAV: 18 -0.383514483034E+03 -0.97038E-02 -0.32038E-03 316 0.133E-01 0.788E-02
DAV: 19 -0.383518786721E+03 -0.43037E-02 -0.66172E-04 332 0.604E-02 0.742E-02
DAV: 20 -0.383526666400E+03 -0.78797E-02 -0.71878E-04 292 0.535E-02 0.470E-02
DAV: 21 -0.383532640062E+03 -0.59737E-02 -0.36812E-04 324 0.384E-02 0.359E-02
DAV: 22 -0.383536522023E+03 -0.38820E-02 -0.19991E-04 308 0.301E-02 0.258E-02
DAV: 23 -0.383539053505E+03 -0.25315E-02 -0.23555E-04 332 0.297E-02 0.196E-02
DAV: 24 -0.383540448803E+03 -0.13953E-02 -0.70278E-05 300 0.169E-02 0.106E-02
DAV: 25 -0.383541396320E+03 -0.94752E-03 -0.46299E-05 276 0.134E-02 0.591E-03
DAV: 26 -0.383541932608E+03 -0.53629E-03 -0.24570E-05 252 0.915E-03 0.460E-03
DAV: 27 -0.383542128753E+03 -0.19615E-03 -0.66720E-06 220 0.500E-03 0.316E-03
DAV: 28 -0.383542227880E+03 -0.99127E-04 -0.33899E-06 228 0.358E-03 0.200E-03
DAV: 29 -0.383542293175E+03 -0.65295E-04 -0.23886E-06 212 0.328E-03 0.131E-03
DAV: 30 -0.383542324612E+03 -0.31437E-04 -0.12133E-06 228 0.231E-03 0.126E-03
DAV: 31 -0.383542341998E+03 -0.17386E-04 -0.83056E-07 204 0.173E-03 0.813E-04
DAV: 32 -0.383542348719E+03 -0.67204E-05 -0.28158E-07 228 0.116E-03
1 F= -.38354235E+03 E0= -.38355950E+03 d E =0.514442E-01