iterations/neb0_image06_iter139_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 0.371217563957E+03 0.37122E+03 -0.14342E+04 640 0.799E+02
DAV: 2 0.356388813693E+01 -0.36765E+03 -0.35543E+03 877 0.193E+02
DAV: 3 -0.959516643457E+02 -0.99516E+02 -0.99189E+02 704 0.116E+02
DAV: 4 -0.100340413663E+03 -0.43887E+01 -0.43760E+01 704 0.272E+01
DAV: 5 -0.100427522570E+03 -0.87109E-01 -0.87072E-01 728 0.341E+00 0.225E+01
DAV: 6 -0.919042175210E+02 0.85233E+01 -0.30557E+01 709 0.303E+01 0.118E+01
DAV: 7 -0.910841719507E+02 0.82005E+00 -0.17127E+00 712 0.629E+00 0.481E+00
DAV: 8 -0.907051971395E+02 0.37897E+00 -0.54792E-01 712 0.409E+00 0.166E+00
DAV: 9 -0.906155834642E+02 0.89614E-01 -0.13065E-01 728 0.164E+00 0.426E-01
DAV: 10 -0.906055360159E+02 0.10047E-01 -0.37831E-02 744 0.100E+00 0.288E-01
DAV: 11 -0.906093467231E+02 -0.38107E-02 -0.94941E-03 610 0.520E-01 0.143E-01
DAV: 12 -0.906116533777E+02 -0.23067E-02 -0.18760E-03 661 0.246E-01 0.929E-02
DAV: 13 -0.906159770319E+02 -0.43237E-02 -0.16135E-03 627 0.219E-01 0.686E-02
DAV: 14 -0.906184399791E+02 -0.24629E-02 -0.63396E-04 752 0.146E-01 0.278E-02
DAV: 15 -0.906212427665E+02 -0.28028E-02 -0.36481E-04 634 0.933E-02 0.312E-02
DAV: 16 -0.906225177073E+02 -0.12749E-02 -0.11416E-04 669 0.528E-02 0.133E-02
DAV: 17 -0.906233881230E+02 -0.87042E-03 -0.12672E-04 639 0.505E-02 0.126E-02
DAV: 18 -0.906235742439E+02 -0.18612E-03 -0.15257E-05 512 0.275E-02 0.864E-03
DAV: 19 -0.906236860496E+02 -0.11181E-03 -0.38161E-05 601 0.333E-02 0.812E-03
DAV: 20 -0.906237061164E+02 -0.20067E-04 -0.86489E-06 528 0.271E-02 0.338E-03
DAV: 21 -0.906237305499E+02 -0.24433E-04 -0.46058E-06 406 0.127E-02 0.175E-03
DAV: 22 -0.906237447092E+02 -0.14159E-04 -0.28770E-06 439 0.933E-03 0.166E-03
DAV: 23 -0.906237482132E+02 -0.35039E-05 -0.89460E-07 472 0.471E-03
1 F= -.90623748E+02 E0= -.90627924E+02 d E =0.125267E-01