iterations/neb0_image02_iter11_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 0.161789978643E+04 0.16179E+04 -0.42272E+04 306 0.697E+02
DAV: 2 0.296735668778E+03 -0.13212E+04 -0.12439E+04 420 0.168E+02
DAV: 3 -0.358027677388E+03 -0.65476E+03 -0.65106E+03 364 0.123E+02
DAV: 4 -0.433480823262E+03 -0.75453E+02 -0.75140E+02 316 0.520E+01
DAV: 5 -0.435192179044E+03 -0.17114E+01 -0.17086E+01 332 0.797E+00 0.427E+01
DAV: 6 -0.389125319940E+03 0.46067E+02 -0.15034E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385607187652E+03 0.35181E+01 -0.12449E+01 340 0.768E+00 0.104E+01
DAV: 8 -0.384160234536E+03 0.14470E+01 -0.23947E+00 332 0.381E+00 0.430E+00
DAV: 9 -0.383604156877E+03 0.55608E+00 -0.93174E-01 324 0.204E+00 0.114E+00
DAV: 10 -0.383537775887E+03 0.66381E-01 -0.22161E-01 332 0.965E-01 0.871E-01
DAV: 11 -0.383512811896E+03 0.24964E-01 -0.52811E-02 308 0.510E-01 0.634E-01
DAV: 12 -0.383498648366E+03 0.14164E-01 -0.17153E-01 316 0.528E-01 0.494E-01
DAV: 13 -0.383489362821E+03 0.92855E-02 -0.11610E-02 308 0.327E-01 0.463E-01
DAV: 14 -0.383486449054E+03 0.29138E-02 -0.41055E-02 316 0.405E-01 0.336E-01
DAV: 15 -0.383492015240E+03 -0.55662E-02 -0.25908E-02 348 0.268E-01 0.347E-01
DAV: 16 -0.383495750170E+03 -0.37349E-02 -0.22884E-03 292 0.125E-01 0.158E-01
DAV: 17 -0.383506383086E+03 -0.10633E-01 -0.25063E-03 292 0.111E-01 0.946E-02
DAV: 18 -0.383518748866E+03 -0.12366E-01 -0.28911E-03 284 0.135E-01 0.758E-02
DAV: 19 -0.383527199173E+03 -0.84503E-02 -0.15839E-03 324 0.107E-01 0.547E-02
DAV: 20 -0.383532273367E+03 -0.50742E-02 -0.29297E-04 340 0.488E-02 0.512E-02
DAV: 21 -0.383537141145E+03 -0.48678E-02 -0.48204E-04 380 0.628E-02 0.488E-02
DAV: 22 -0.383536936651E+03 0.20449E-03 -0.11622E-04 316 0.246E-02 0.493E-02
DAV: 23 -0.383536948208E+03 -0.11557E-04 -0.47229E-06 244 0.478E-03 0.493E-02
DAV: 24 -0.383536952721E+03 -0.45131E-05 -0.21873E-06 220 0.443E-03
1 F= -.38353695E+03 E0= -.38355335E+03 d E =0.492044E-01