iterations/neb0_image01_iter79_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 0.366856371219E+03 0.36686E+03 -0.14300E+04 624 0.799E+02
DAV: 2 0.345902744237E+01 -0.36340E+03 -0.34999E+03 839 0.195E+02
DAV: 3 -0.957544127290E+02 -0.99213E+02 -0.98873E+02 680 0.116E+02
DAV: 4 -0.100215155899E+03 -0.44607E+01 -0.44515E+01 693 0.283E+01
DAV: 5 -0.100302844534E+03 -0.87689E-01 -0.87638E-01 736 0.355E+00 0.222E+01
DAV: 6 -0.916754161626E+02 0.86274E+01 -0.31206E+01 685 0.299E+01 0.117E+01
DAV: 7 -0.908629061132E+02 0.81251E+00 -0.18199E+00 720 0.634E+00 0.484E+00
DAV: 8 -0.904819647826E+02 0.38094E+00 -0.55369E-01 704 0.425E+00 0.168E+00
DAV: 9 -0.903966446370E+02 0.85320E-01 -0.13716E-01 696 0.164E+00 0.429E-01
DAV: 10 -0.903911369024E+02 0.55077E-02 -0.46887E-02 736 0.127E+00 0.319E-01
DAV: 11 -0.903948976914E+02 -0.37608E-02 -0.68333E-03 616 0.485E-01 0.144E-01
DAV: 12 -0.903984827390E+02 -0.35850E-02 -0.72374E-03 613 0.488E-01 0.130E-01
DAV: 13 -0.904012363350E+02 -0.27536E-02 -0.14435E-03 848 0.312E-01 0.775E-02
DAV: 14 -0.904041170520E+02 -0.28807E-02 -0.14204E-03 634 0.181E-01 0.598E-02
DAV: 15 -0.904062642394E+02 -0.21472E-02 -0.41881E-04 672 0.122E-01 0.471E-02
DAV: 16 -0.904075841791E+02 -0.13199E-02 -0.77454E-04 661 0.163E-01 0.357E-02
DAV: 17 -0.904084235869E+02 -0.83941E-03 -0.17617E-04 813 0.933E-02 0.217E-02
DAV: 18 -0.904085870657E+02 -0.16348E-03 -0.42844E-05 712 0.329E-02 0.140E-02
DAV: 19 -0.904088363538E+02 -0.24929E-03 -0.57368E-05 636 0.380E-02 0.506E-03
DAV: 20 -0.904088660373E+02 -0.29684E-04 -0.54043E-06 480 0.152E-02 0.559E-03
DAV: 21 -0.904088990459E+02 -0.33009E-04 -0.57091E-06 428 0.147E-02 0.489E-03
DAV: 22 -0.904089232248E+02 -0.24179E-04 -0.44468E-06 458 0.118E-02 0.315E-03
DAV: 23 -0.904089258703E+02 -0.26454E-05 -0.40671E-06 520 0.113E-02
1 F= -.90408926E+02 E0= -.90414119E+02 d E =0.155779E-01