iterations/neb0_image07_iter31_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 0.375109587750E+03 0.37511E+03 -0.14321E+04 632 0.799E+02
DAV: 2 0.364600343991E+01 -0.37146E+03 -0.35843E+03 861 0.196E+02
DAV: 3 -0.963687450343E+02 -0.10001E+03 -0.99676E+02 672 0.117E+02
DAV: 4 -0.100670318764E+03 -0.43016E+01 -0.42900E+01 728 0.279E+01
DAV: 5 -0.100752044286E+03 -0.81726E-01 -0.81702E-01 728 0.349E+00 0.229E+01
DAV: 6 -0.919639407903E+02 0.87881E+01 -0.30650E+01 671 0.303E+01 0.120E+01
DAV: 7 -0.910600754141E+02 0.90387E+00 -0.17277E+00 720 0.628E+00 0.482E+00
DAV: 8 -0.906769300387E+02 0.38315E+00 -0.56656E-01 704 0.410E+00 0.166E+00
DAV: 9 -0.905897087794E+02 0.87221E-01 -0.13249E-01 712 0.155E+00 0.438E-01
DAV: 10 -0.905792140048E+02 0.10495E-01 -0.41934E-02 736 0.104E+00 0.297E-01
DAV: 11 -0.905840251208E+02 -0.48111E-02 -0.12145E-02 613 0.592E-01 0.163E-01
DAV: 12 -0.905863037458E+02 -0.22786E-02 -0.20110E-03 660 0.212E-01 0.115E-01
DAV: 13 -0.905911658347E+02 -0.48621E-02 -0.30925E-03 633 0.295E-01 0.643E-02
DAV: 14 -0.905928898688E+02 -0.17240E-02 -0.34466E-04 704 0.133E-01 0.346E-02
DAV: 15 -0.905961743241E+02 -0.32845E-02 -0.70562E-04 641 0.137E-01 0.303E-02
DAV: 16 -0.905966555737E+02 -0.48125E-03 -0.53730E-05 712 0.602E-02 0.191E-02
DAV: 17 -0.905975591461E+02 -0.90357E-03 -0.20705E-04 651 0.906E-02 0.161E-02
DAV: 18 -0.905978867447E+02 -0.32760E-03 -0.37128E-05 661 0.387E-02 0.108E-02
DAV: 19 -0.905980344535E+02 -0.14771E-03 -0.24943E-05 511 0.249E-02 0.368E-03
DAV: 20 -0.905980909439E+02 -0.56490E-04 -0.89735E-06 484 0.169E-02 0.306E-03
DAV: 21 -0.905981155594E+02 -0.24616E-04 -0.37231E-06 420 0.851E-03 0.330E-03
DAV: 22 -0.905981224623E+02 -0.69029E-05 -0.95094E-07 474 0.530E-03
1 F= -.90598122E+02 E0= -.90604356E+02 d E =0.187016E-01