iterations/neb0_image02_iter63_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 0.368222947929E+03 0.36822E+03 -0.14297E+04 624 0.799E+02
DAV: 2 0.465768688302E+01 -0.36357E+03 -0.34879E+03 834 0.195E+02
DAV: 3 -0.957090510320E+02 -0.10037E+03 -0.10003E+03 688 0.117E+02
DAV: 4 -0.100182122316E+03 -0.44731E+01 -0.44629E+01 696 0.279E+01
DAV: 5 -0.100268826880E+03 -0.86705E-01 -0.86661E-01 736 0.348E+00 0.222E+01
DAV: 6 -0.916492162705E+02 0.86196E+01 -0.31031E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908265647930E+02 0.82265E+00 -0.18281E+00 704 0.633E+00 0.483E+00
DAV: 8 -0.904390808774E+02 0.38748E+00 -0.55701E-01 696 0.426E+00 0.169E+00
DAV: 9 -0.903484072709E+02 0.90674E-01 -0.14051E-01 712 0.166E+00 0.434E-01
DAV: 10 -0.903418909157E+02 0.65164E-02 -0.46359E-02 701 0.126E+00 0.319E-01
DAV: 11 -0.903456038360E+02 -0.37129E-02 -0.72425E-03 608 0.480E-01 0.148E-01
DAV: 12 -0.903489832949E+02 -0.33795E-02 -0.68163E-03 624 0.463E-01 0.127E-01
DAV: 13 -0.903517842973E+02 -0.28010E-02 -0.13041E-03 936 0.310E-01 0.791E-02
DAV: 14 -0.903548666876E+02 -0.30824E-02 -0.13721E-03 637 0.177E-01 0.545E-02
DAV: 15 -0.903572950969E+02 -0.24284E-02 -0.43872E-04 669 0.123E-01 0.409E-02
DAV: 16 -0.903586152577E+02 -0.13202E-02 -0.56401E-04 656 0.129E-01 0.316E-02
DAV: 17 -0.903594896370E+02 -0.87438E-03 -0.17653E-04 850 0.883E-02 0.167E-02
DAV: 18 -0.903596416217E+02 -0.15198E-03 -0.32781E-05 712 0.313E-02 0.943E-03
DAV: 19 -0.903598723367E+02 -0.23072E-03 -0.36932E-05 558 0.300E-02 0.509E-03
DAV: 20 -0.903599057674E+02 -0.33431E-04 -0.27348E-06 480 0.110E-02 0.438E-03
DAV: 21 -0.903599636348E+02 -0.57867E-04 -0.11133E-05 403 0.199E-02 0.238E-03
DAV: 22 -0.903599722706E+02 -0.86358E-05 -0.33171E-06 485 0.915E-03
1 F= -.90359972E+02 E0= -.90365735E+02 d E =0.172877E-01