./iterations/neb0_image01_iter196_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 0.365815478683E+03 0.36582E+03 -0.14300E+04 624 0.799E+02
DAV: 2 0.322447385961E+01 -0.36259E+03 -0.34962E+03 839 0.196E+02
DAV: 3 -0.956008141538E+02 -0.98825E+02 -0.98478E+02 669 0.116E+02
DAV: 4 -0.100233834972E+03 -0.46330E+01 -0.46219E+01 696 0.287E+01
DAV: 5 -0.100326678563E+03 -0.92844E-01 -0.92794E-01 728 0.362E+00 0.222E+01
DAV: 6 -0.916929803356E+02 0.86337E+01 -0.30950E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908846736042E+02 0.80831E+00 -0.18270E+00 712 0.638E+00 0.484E+00
DAV: 8 -0.905089411723E+02 0.37573E+00 -0.55551E-01 704 0.430E+00 0.167E+00
DAV: 9 -0.904270113851E+02 0.81930E-01 -0.13240E-01 720 0.166E+00 0.423E-01
DAV: 10 -0.904224989832E+02 0.45124E-02 -0.46931E-02 712 0.124E+00 0.321E-01
DAV: 11 -0.904265715622E+02 -0.40726E-02 -0.76572E-03 608 0.559E-01 0.122E-01
DAV: 12 -0.904299994675E+02 -0.34279E-02 -0.65800E-03 629 0.452E-01 0.132E-01
DAV: 13 -0.904324177985E+02 -0.24183E-02 -0.16360E-03 861 0.311E-01 0.747E-02
DAV: 14 -0.904355613126E+02 -0.31435E-02 -0.14567E-03 634 0.192E-01 0.681E-02
DAV: 15 -0.904371982626E+02 -0.16370E-02 -0.30599E-04 680 0.112E-01 0.545E-02
DAV: 16 -0.904385730532E+02 -0.13748E-02 -0.10683E-03 661 0.201E-01 0.380E-02
DAV: 17 -0.904393862631E+02 -0.81321E-03 -0.14066E-04 661 0.812E-02 0.330E-02
DAV: 18 -0.904397075754E+02 -0.32131E-03 -0.89419E-05 680 0.477E-02 0.171E-02
DAV: 19 -0.904398803636E+02 -0.17279E-03 -0.85421E-05 631 0.507E-02 0.949E-03
DAV: 20 -0.904399084258E+02 -0.28062E-04 -0.72860E-06 512 0.186E-02 0.960E-03
DAV: 21 -0.904399469533E+02 -0.38527E-04 -0.73855E-06 401 0.149E-02 0.680E-03
DAV: 22 -0.904399568066E+02 -0.98533E-05 -0.51252E-06 480 0.168E-02
1 F= -.90439957E+02 E0= -.90445582E+02 d E =0.168754E-01