./iterations/neb0_image08_iter137_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 0.375009922248E+03 0.37501E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.346434694830E+01 -0.37155E+03 -0.35911E+03 869 0.196E+02
DAV: 3 -0.967011651309E+02 -0.10017E+03 -0.99840E+02 669 0.117E+02
DAV: 4 -0.101193774400E+03 -0.44926E+01 -0.44816E+01 728 0.283E+01
DAV: 5 -0.101281984605E+03 -0.88210E-01 -0.88179E-01 736 0.358E+00 0.227E+01
DAV: 6 -0.926341859666E+02 0.86478E+01 -0.30803E+01 706 0.300E+01 0.119E+01
DAV: 7 -0.917681185325E+02 0.86607E+00 -0.17178E+00 728 0.615E+00 0.480E+00
DAV: 8 -0.913909171160E+02 0.37720E+00 -0.55620E-01 704 0.402E+00 0.161E+00
DAV: 9 -0.913112089719E+02 0.79708E-01 -0.13058E-01 720 0.156E+00 0.421E-01
DAV: 10 -0.913030056442E+02 0.82033E-02 -0.45110E-02 760 0.111E+00 0.303E-01
DAV: 11 -0.913074514630E+02 -0.44458E-02 -0.12065E-02 608 0.572E-01 0.133E-01
DAV: 12 -0.913106797495E+02 -0.32283E-02 -0.30197E-03 622 0.257E-01 0.113E-01
DAV: 13 -0.913140587146E+02 -0.33790E-02 -0.10569E-03 725 0.188E-01 0.473E-02
DAV: 14 -0.913172232045E+02 -0.31645E-02 -0.82794E-04 648 0.150E-01 0.437E-02
DAV: 15 -0.913189640487E+02 -0.17408E-02 -0.21643E-04 736 0.961E-02 0.408E-02
DAV: 16 -0.913201256505E+02 -0.11616E-02 -0.40414E-04 640 0.988E-02 0.216E-02
DAV: 17 -0.913205030637E+02 -0.37741E-03 -0.82765E-05 744 0.611E-02 0.144E-02
DAV: 18 -0.913207661240E+02 -0.26306E-03 -0.46219E-05 626 0.298E-02 0.101E-02
DAV: 19 -0.913208139952E+02 -0.47871E-04 -0.69627E-06 496 0.155E-02 0.460E-03
DAV: 20 -0.913208499815E+02 -0.35986E-04 -0.94798E-06 415 0.190E-02 0.273E-03
DAV: 21 -0.913208632324E+02 -0.13251E-04 -0.25977E-06 472 0.804E-03 0.272E-03
DAV: 22 -0.913208680898E+02 -0.48574E-05 -0.93703E-07 428 0.637E-03
1 F= -.91320868E+02 E0= -.91325912E+02 d E =0.151331E-01