iterations/neb0_image07_iter90_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 0.376497031977E+03 0.37650E+03 -0.14275E+04 624 0.799E+02
DAV: 2 0.341563350086E+01 -0.37308E+03 -0.36107E+03 877 0.196E+02
DAV: 3 -0.963265805974E+02 -0.99742E+02 -0.99412E+02 664 0.117E+02
DAV: 4 -0.100863224018E+03 -0.45366E+01 -0.45259E+01 696 0.287E+01
DAV: 5 -0.100954385206E+03 -0.91161E-01 -0.91123E-01 728 0.366E+00 0.226E+01
DAV: 6 -0.923630343306E+02 0.85914E+01 -0.30704E+01 709 0.303E+01 0.118E+01
DAV: 7 -0.915040739649E+02 0.85896E+00 -0.16635E+00 728 0.615E+00 0.481E+00
DAV: 8 -0.911232302756E+02 0.38084E+00 -0.56407E-01 704 0.405E+00 0.162E+00
DAV: 9 -0.910392317328E+02 0.83999E-01 -0.13176E-01 728 0.155E+00 0.426E-01
DAV: 10 -0.910297622969E+02 0.94694E-02 -0.46711E-02 717 0.110E+00 0.306E-01
DAV: 11 -0.910343161083E+02 -0.45538E-02 -0.11707E-02 608 0.563E-01 0.137E-01
DAV: 12 -0.910375866528E+02 -0.32705E-02 -0.36713E-03 630 0.283E-01 0.146E-01
DAV: 13 -0.910412219247E+02 -0.36353E-02 -0.25430E-03 752 0.315E-01 0.541E-02
DAV: 14 -0.910438000471E+02 -0.25781E-02 -0.62493E-04 645 0.116E-01 0.571E-02
DAV: 15 -0.910463784897E+02 -0.25784E-02 -0.30075E-04 653 0.855E-02 0.333E-02
DAV: 16 -0.910474250032E+02 -0.10465E-02 -0.35461E-04 680 0.930E-02 0.266E-02
DAV: 17 -0.910479865217E+02 -0.56152E-03 -0.11669E-04 637 0.680E-02 0.102E-02
DAV: 18 -0.910481238521E+02 -0.13733E-03 -0.21597E-05 528 0.253E-02 0.754E-03
DAV: 19 -0.910482208749E+02 -0.97023E-04 -0.22364E-05 474 0.289E-02 0.381E-03
DAV: 20 -0.910482430020E+02 -0.22127E-04 -0.58275E-06 504 0.130E-02 0.459E-03
DAV: 21 -0.910482542081E+02 -0.11206E-04 -0.18493E-06 426 0.863E-03 0.271E-03
DAV: 22 -0.910482655540E+02 -0.11346E-04 -0.28303E-06 406 0.102E-02 0.120E-03
DAV: 23 -0.910482671842E+02 -0.16302E-05 -0.65444E-07 512 0.412E-03
1 F= -.91048267E+02 E0= -.91053276E+02 d E =0.150252E-01