iterations/neb0_image06_iter216_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 0.371006822258E+03 0.37101E+03 -0.14350E+04 640 0.799E+02
DAV: 2 0.434106810259E+01 -0.36667E+03 -0.35462E+03 858 0.193E+02
DAV: 3 -0.956102518113E+02 -0.99951E+02 -0.99609E+02 664 0.116E+02
DAV: 4 -0.100366582977E+03 -0.47563E+01 -0.47418E+01 728 0.288E+01
DAV: 5 -0.100464378966E+03 -0.97796E-01 -0.97738E-01 736 0.369E+00 0.226E+01
DAV: 6 -0.918796700154E+02 0.85847E+01 -0.30460E+01 685 0.301E+01 0.118E+01
DAV: 7 -0.910463344532E+02 0.83334E+00 -0.17622E+00 704 0.630E+00 0.481E+00
DAV: 8 -0.906690557012E+02 0.37728E+00 -0.55403E-01 704 0.415E+00 0.166E+00
DAV: 9 -0.905795901770E+02 0.89466E-01 -0.12875E-01 712 0.159E+00 0.426E-01
DAV: 10 -0.905693605903E+02 0.10230E-01 -0.36964E-02 744 0.953E-01 0.286E-01
DAV: 11 -0.905735805764E+02 -0.42200E-02 -0.96389E-03 602 0.506E-01 0.148E-01
DAV: 12 -0.905762379145E+02 -0.26573E-02 -0.24651E-03 620 0.276E-01 0.821E-02
DAV: 13 -0.905801893194E+02 -0.39514E-02 -0.15446E-03 633 0.179E-01 0.659E-02
DAV: 14 -0.905835703175E+02 -0.33810E-02 -0.10215E-03 728 0.227E-01 0.390E-02
DAV: 15 -0.905853703337E+02 -0.18000E-02 -0.28620E-04 725 0.961E-02 0.391E-02
DAV: 16 -0.905868330181E+02 -0.14627E-02 -0.38205E-04 706 0.119E-01 0.193E-02
DAV: 17 -0.905875387065E+02 -0.70569E-03 -0.11528E-04 701 0.608E-02 0.131E-02
DAV: 18 -0.905877743374E+02 -0.23563E-03 -0.22443E-05 544 0.214E-02 0.882E-03
DAV: 19 -0.905879161332E+02 -0.14180E-03 -0.21471E-05 481 0.227E-02 0.259E-03
DAV: 20 -0.905879424095E+02 -0.26276E-04 -0.66171E-06 496 0.140E-02 0.311E-03
DAV: 21 -0.905879602562E+02 -0.17847E-04 -0.24873E-06 392 0.609E-03 0.303E-03
DAV: 22 -0.905879625631E+02 -0.23068E-05 -0.52173E-07 480 0.486E-03
1 F= -.90587963E+02 E0= -.90592867E+02 d E =0.147142E-01