./iterations/neb0_image07_iter59_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 0.374375143001E+03 0.37438E+03 -0.14310E+04 632 0.799E+02
DAV: 2 0.389949191755E+01 -0.37048E+03 -0.35757E+03 861 0.195E+02
DAV: 3 -0.962878628840E+02 -0.10019E+03 -0.99854E+02 672 0.117E+02
DAV: 4 -0.100738613910E+03 -0.44508E+01 -0.44407E+01 704 0.283E+01
DAV: 5 -0.100826916321E+03 -0.88302E-01 -0.88264E-01 720 0.357E+00 0.226E+01
DAV: 6 -0.922641343833E+02 0.85628E+01 -0.30632E+01 698 0.302E+01 0.118E+01
DAV: 7 -0.914066165119E+02 0.85752E+00 -0.16464E+00 728 0.614E+00 0.481E+00
DAV: 8 -0.910260132958E+02 0.38060E+00 -0.55391E-01 696 0.408E+00 0.162E+00
DAV: 9 -0.909414583653E+02 0.84555E-01 -0.13204E-01 712 0.156E+00 0.425E-01
DAV: 10 -0.909316428875E+02 0.98155E-02 -0.48713E-02 728 0.114E+00 0.314E-01
DAV: 11 -0.909358811371E+02 -0.42382E-02 -0.11946E-02 613 0.579E-01 0.134E-01
DAV: 12 -0.909390202577E+02 -0.31391E-02 -0.37927E-03 605 0.303E-01 0.137E-01
DAV: 13 -0.909424855667E+02 -0.34653E-02 -0.16749E-03 757 0.267E-01 0.571E-02
DAV: 14 -0.909452080019E+02 -0.27224E-02 -0.79187E-04 672 0.129E-01 0.501E-02
DAV: 15 -0.909480304470E+02 -0.28224E-02 -0.30928E-04 634 0.843E-02 0.390E-02
DAV: 16 -0.909491663618E+02 -0.11359E-02 -0.37880E-04 677 0.100E-01 0.227E-02
DAV: 17 -0.909498101856E+02 -0.64382E-03 -0.90545E-05 661 0.576E-02 0.150E-02
DAV: 18 -0.909500028448E+02 -0.19266E-03 -0.42548E-05 688 0.311E-02 0.109E-02
DAV: 19 -0.909500791060E+02 -0.76261E-04 -0.21487E-05 490 0.342E-02 0.416E-03
DAV: 20 -0.909500966981E+02 -0.17592E-04 -0.66861E-06 536 0.141E-02 0.460E-03
DAV: 21 -0.909501231535E+02 -0.26455E-04 -0.39448E-06 404 0.117E-02 0.246E-03
DAV: 22 -0.909501335969E+02 -0.10443E-04 -0.18546E-06 469 0.761E-03 0.147E-03
DAV: 23 -0.909501378924E+02 -0.42955E-05 -0.69055E-07 417 0.448E-03
1 F= -.90950138E+02 E0= -.90955140E+02 d E =0.150069E-01