./iterations/neb0_image05_iter143_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 0.366144749198E+03 0.36614E+03 -0.14334E+04 640 0.799E+02
DAV: 2 0.265439084321E+01 -0.36349E+03 -0.35023E+03 866 0.192E+02
DAV: 3 -0.945908981241E+02 -0.97245E+02 -0.96877E+02 640 0.115E+02
DAV: 4 -0.993107898914E+02 -0.47199E+01 -0.47071E+01 736 0.295E+01
DAV: 5 -0.994097157086E+02 -0.98926E-01 -0.98890E-01 720 0.377E+00 0.220E+01
DAV: 6 -0.909090698350E+02 0.85006E+01 -0.30177E+01 677 0.297E+01 0.114E+01
DAV: 7 -0.901155367461E+02 0.79353E+00 -0.18466E+00 728 0.660E+00 0.478E+00
DAV: 8 -0.897436752679E+02 0.37186E+00 -0.53111E-01 712 0.452E+00 0.181E+00
DAV: 9 -0.896496490341E+02 0.94026E-01 -0.14162E-01 733 0.214E+00 0.574E-01
DAV: 10 -0.896358400830E+02 0.13809E-01 -0.40862E-02 736 0.102E+00 0.353E-01
DAV: 11 -0.896360756357E+02 -0.23555E-03 -0.11155E-02 744 0.569E-01 0.221E-01
DAV: 12 -0.896383128174E+02 -0.22372E-02 -0.39257E-03 642 0.447E-01 0.113E-01
DAV: 13 -0.896413079898E+02 -0.29952E-02 -0.16751E-03 620 0.239E-01 0.102E-01
DAV: 14 -0.896464226083E+02 -0.51146E-02 -0.31708E-03 686 0.349E-01 0.882E-02
DAV: 15 -0.896473246400E+02 -0.90203E-03 -0.43846E-04 768 0.148E-01 0.548E-02
DAV: 16 -0.896496823701E+02 -0.23577E-02 -0.12409E-03 711 0.235E-01 0.442E-02
DAV: 17 -0.896505992060E+02 -0.91684E-03 -0.18317E-04 696 0.876E-02 0.381E-02
DAV: 18 -0.896513843058E+02 -0.78510E-03 -0.14596E-04 714 0.646E-02 0.161E-02
DAV: 19 -0.896519263325E+02 -0.54203E-03 -0.87479E-05 690 0.504E-02 0.679E-03
DAV: 20 -0.896521022165E+02 -0.17588E-03 -0.15072E-05 509 0.207E-02 0.905E-03
DAV: 21 -0.896521873062E+02 -0.85090E-04 -0.10645E-05 444 0.148E-02 0.603E-03
DAV: 22 -0.896522059137E+02 -0.18607E-04 -0.10347E-05 496 0.218E-02 0.283E-03
DAV: 23 -0.896522118522E+02 -0.59385E-05 -0.36500E-06 442 0.108E-02
1 F= -.89652212E+02 E0= -.89660786E+02 d E =0.257223E-01