./iterations/neb0_image04_iter285_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 0.365293817408E+03 0.36529E+03 -0.14303E+04 624 0.799E+02
DAV: 2 0.147015444239E+00 -0.36515E+03 -0.35424E+03 866 0.195E+02
DAV: 3 -0.960379076130E+02 -0.96185E+02 -0.95891E+02 656 0.115E+02
DAV: 4 -0.100344340443E+03 -0.43064E+01 -0.42984E+01 712 0.279E+01
DAV: 5 -0.100429405005E+03 -0.85065E-01 -0.85039E-01 728 0.350E+00 0.223E+01
DAV: 6 -0.916717119687E+02 0.87577E+01 -0.31640E+01 672 0.301E+01 0.117E+01
DAV: 7 -0.908363056536E+02 0.83541E+00 -0.18337E+00 720 0.652E+00 0.485E+00
DAV: 8 -0.904269988602E+02 0.40931E+00 -0.54021E-01 696 0.446E+00 0.178E+00
DAV: 9 -0.903338695332E+02 0.93129E-01 -0.15726E-01 712 0.204E+00 0.543E-01
DAV: 10 -0.903214485126E+02 0.12421E-01 -0.33949E-02 720 0.988E-01 0.335E-01
DAV: 11 -0.903231313430E+02 -0.16828E-02 -0.11067E-02 712 0.528E-01 0.205E-01
DAV: 12 -0.903263316584E+02 -0.32003E-02 -0.31723E-03 661 0.428E-01 0.133E-01
DAV: 13 -0.903293667222E+02 -0.30351E-02 -0.17999E-03 653 0.308E-01 0.112E-01
DAV: 14 -0.903326599478E+02 -0.32932E-02 -0.20300E-03 759 0.289E-01 0.540E-02
DAV: 15 -0.903350540977E+02 -0.23941E-02 -0.52906E-04 669 0.115E-01 0.479E-02
DAV: 16 -0.903374074461E+02 -0.23533E-02 -0.66737E-04 756 0.174E-01 0.305E-02
DAV: 17 -0.903383840891E+02 -0.97664E-03 -0.15908E-04 680 0.661E-02 0.283E-02
DAV: 18 -0.903389627158E+02 -0.57863E-03 -0.89347E-05 660 0.578E-02 0.133E-02
DAV: 19 -0.903393567925E+02 -0.39408E-03 -0.96993E-05 654 0.557E-02 0.112E-02
DAV: 20 -0.903394436764E+02 -0.86884E-04 -0.77948E-06 512 0.182E-02 0.809E-03
DAV: 21 -0.903395052351E+02 -0.61559E-04 -0.18634E-05 484 0.253E-02 0.281E-03
DAV: 22 -0.903395256362E+02 -0.20401E-04 -0.32782E-06 480 0.101E-02 0.236E-03
DAV: 23 -0.903395345995E+02 -0.89633E-05 -0.16822E-06 450 0.705E-03
1 F= -.90339535E+02 E0= -.90347766E+02 d E =0.246945E-01