iterations/neb0_image01_iter269_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 0.362661668416E+03 0.36266E+03 -0.14330E+04 632 0.799E+02
DAV: 2 0.400305417785E+01 -0.35866E+03 -0.34451E+03 820 0.195E+02
DAV: 3 -0.955735896200E+02 -0.99577E+02 -0.99221E+02 672 0.116E+02
DAV: 4 -0.100226258820E+03 -0.46527E+01 -0.46404E+01 696 0.290E+01
DAV: 5 -0.100315678713E+03 -0.89420E-01 -0.89379E-01 728 0.364E+00 0.222E+01
DAV: 6 -0.916977489387E+02 0.86179E+01 -0.30943E+01 680 0.299E+01 0.117E+01
DAV: 7 -0.908931288971E+02 0.80462E+00 -0.18402E+00 712 0.638E+00 0.484E+00
DAV: 8 -0.905152727418E+02 0.37786E+00 -0.55293E-01 696 0.430E+00 0.169E+00
DAV: 9 -0.904305780250E+02 0.84695E-01 -0.13584E-01 720 0.165E+00 0.426E-01
DAV: 10 -0.904256576173E+02 0.49204E-02 -0.45585E-02 701 0.124E+00 0.317E-01
DAV: 11 -0.904294397859E+02 -0.37822E-02 -0.65180E-03 608 0.491E-01 0.140E-01
DAV: 12 -0.904330560979E+02 -0.36163E-02 -0.74089E-03 623 0.501E-01 0.134E-01
DAV: 13 -0.904356353667E+02 -0.25793E-02 -0.17477E-03 896 0.327E-01 0.755E-02
DAV: 14 -0.904386728756E+02 -0.30375E-02 -0.12985E-03 642 0.171E-01 0.599E-02
DAV: 15 -0.904406405294E+02 -0.19677E-02 -0.37332E-04 680 0.110E-01 0.471E-02
DAV: 16 -0.904421435996E+02 -0.15031E-02 -0.86505E-04 666 0.175E-01 0.361E-02
DAV: 17 -0.904428532934E+02 -0.70969E-03 -0.12573E-04 680 0.800E-02 0.272E-02
DAV: 18 -0.904431248960E+02 -0.27160E-03 -0.12360E-04 653 0.574E-02 0.880E-03
DAV: 19 -0.904432749398E+02 -0.15004E-03 -0.26902E-05 517 0.269E-02 0.621E-03
DAV: 20 -0.904433093516E+02 -0.34412E-04 -0.50879E-06 472 0.149E-02 0.784E-03
DAV: 21 -0.904433420436E+02 -0.32692E-04 -0.58635E-06 409 0.163E-02 0.436E-03
DAV: 22 -0.904433518871E+02 -0.98435E-05 -0.62188E-06 480 0.143E-02
1 F= -.90443352E+02 E0= -.90449067E+02 d E =0.171465E-01