iterations/neb0_image03_iter197_OSZICAR.out output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.363676755584E+03 0.36368E+03 -0.14322E+04 632 0.799E+02
DAV: 2 -0.671126438679E-01 -0.36374E+03 -0.35374E+03 858 0.195E+02
DAV: 3 -0.960398426648E+02 -0.95973E+02 -0.95662E+02 669 0.115E+02
DAV: 4 -0.100260865558E+03 -0.42210E+01 -0.42093E+01 712 0.273E+01
DAV: 5 -0.100344860549E+03 -0.83995E-01 -0.83958E-01 736 0.345E+00 0.222E+01
DAV: 6 -0.917228068246E+02 0.86221E+01 -0.30997E+01 688 0.298E+01 0.117E+01
DAV: 7 -0.908853350246E+02 0.83747E+00 -0.18345E+00 704 0.638E+00 0.484E+00
DAV: 8 -0.904896677030E+02 0.39567E+00 -0.56476E-01 696 0.431E+00 0.169E+00
DAV: 9 -0.903937049394E+02 0.95963E-01 -0.12873E-01 720 0.180E+00 0.443E-01
DAV: 10 -0.903857794539E+02 0.79255E-02 -0.49643E-02 720 0.121E+00 0.348E-01
DAV: 11 -0.903898185529E+02 -0.40391E-02 -0.11741E-02 624 0.729E-01 0.133E-01
DAV: 12 -0.903920619565E+02 -0.22434E-02 -0.55389E-03 629 0.368E-01 0.127E-01
DAV: 13 -0.903960231653E+02 -0.39612E-02 -0.34374E-03 818 0.437E-01 0.856E-02
DAV: 14 -0.903994556000E+02 -0.34324E-02 -0.12912E-03 661 0.207E-01 0.660E-02
DAV: 15 -0.904012928089E+02 -0.18372E-02 -0.30946E-04 672 0.914E-02 0.315E-02
DAV: 16 -0.904035437050E+02 -0.22509E-02 -0.54520E-04 650 0.123E-01 0.310E-02
DAV: 17 -0.904038756919E+02 -0.33199E-03 -0.49512E-05 728 0.639E-02 0.207E-02
DAV: 18 -0.904044444011E+02 -0.56871E-03 -0.21363E-04 751 0.957E-02 0.165E-02
DAV: 19 -0.904047589363E+02 -0.31454E-03 -0.52312E-05 661 0.386E-02 0.902E-03
DAV: 20 -0.904048463294E+02 -0.87393E-04 -0.13930E-05 504 0.190E-02 0.403E-03
DAV: 21 -0.904049401812E+02 -0.93852E-04 -0.36005E-05 537 0.270E-02 0.879E-03
DAV: 22 -0.904049483899E+02 -0.82086E-05 -0.32195E-06 504 0.211E-02
1 F= -.90404948E+02 E0= -.90411074E+02 d E =0.183781E-01