./iterations/neb0_image04_iter222_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 0.368090856805E+03 0.36809E+03 -0.14293E+04 624 0.799E+02
DAV: 2 0.156530671169E+01 -0.36653E+03 -0.35492E+03 869 0.195E+02
DAV: 3 -0.960156781502E+02 -0.97581E+02 -0.97293E+02 658 0.116E+02
DAV: 4 -0.100296732050E+03 -0.42811E+01 -0.42717E+01 704 0.279E+01
DAV: 5 -0.100380352820E+03 -0.83621E-01 -0.83584E-01 736 0.349E+00 0.224E+01
DAV: 6 -0.916744332961E+02 0.87059E+01 -0.31178E+01 682 0.299E+01 0.117E+01
DAV: 7 -0.908109853872E+02 0.86345E+00 -0.17853E+00 712 0.652E+00 0.484E+00
DAV: 8 -0.903969683443E+02 0.41402E+00 -0.55058E-01 696 0.449E+00 0.175E+00
DAV: 9 -0.903051132421E+02 0.91855E-01 -0.16067E-01 728 0.198E+00 0.534E-01
DAV: 10 -0.902930934247E+02 0.12020E-01 -0.34920E-02 720 0.997E-01 0.340E-01
DAV: 11 -0.902948331091E+02 -0.17397E-02 -0.97218E-03 712 0.502E-01 0.190E-01
DAV: 12 -0.902983415654E+02 -0.35085E-02 -0.33393E-03 618 0.345E-01 0.117E-01
DAV: 13 -0.903017388779E+02 -0.33973E-02 -0.11722E-03 631 0.255E-01 0.103E-01
DAV: 14 -0.903053902955E+02 -0.36514E-02 -0.21426E-03 766 0.294E-01 0.601E-02
DAV: 15 -0.903068423749E+02 -0.14521E-02 -0.27642E-04 712 0.126E-01 0.364E-02
DAV: 16 -0.903098115047E+02 -0.29691E-02 -0.10809E-03 748 0.194E-01 0.463E-02
DAV: 17 -0.903101007847E+02 -0.28928E-03 -0.13924E-04 840 0.890E-02 0.271E-02
DAV: 18 -0.903107669142E+02 -0.66613E-03 -0.21008E-04 711 0.859E-02 0.116E-02
DAV: 19 -0.903112417492E+02 -0.47483E-03 -0.58029E-05 658 0.365E-02 0.116E-02
DAV: 20 -0.903114017815E+02 -0.16003E-03 -0.11707E-05 472 0.156E-02 0.783E-03
DAV: 21 -0.903115003806E+02 -0.98599E-04 -0.38580E-05 540 0.351E-02 0.576E-03
DAV: 22 -0.903115130980E+02 -0.12717E-04 -0.38161E-06 520 0.133E-02 0.466E-03
DAV: 23 -0.903115206743E+02 -0.75764E-05 -0.53299E-06 407 0.141E-02
1 F= -.90311521E+02 E0= -.90319804E+02 d E =0.248485E-01