./iterations/neb0_image06_iter279_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 0.373718719041E+03 0.37372E+03 -0.14317E+04 632 0.799E+02
DAV: 2 0.591296792268E+01 -0.36781E+03 -0.35541E+03 842 0.194E+02
DAV: 3 -0.946205500256E+02 -0.10053E+03 -0.10011E+03 688 0.116E+02
DAV: 4 -0.992325297085E+02 -0.46120E+01 -0.45948E+01 712 0.283E+01
DAV: 5 -0.993257965630E+02 -0.93267E-01 -0.93219E-01 720 0.358E+00 0.222E+01
DAV: 6 -0.909394921216E+02 0.83863E+01 -0.29576E+01 693 0.302E+01 0.116E+01
DAV: 7 -0.901186820014E+02 0.82081E+00 -0.16646E+00 720 0.631E+00 0.480E+00
DAV: 8 -0.897374419996E+02 0.38124E+00 -0.58454E-01 704 0.423E+00 0.161E+00
DAV: 9 -0.896507633113E+02 0.86679E-01 -0.12281E-01 712 0.161E+00 0.437E-01
DAV: 10 -0.896406710962E+02 0.10092E-01 -0.38558E-02 720 0.962E-01 0.302E-01
DAV: 11 -0.896448711857E+02 -0.42001E-02 -0.12582E-02 608 0.634E-01 0.182E-01
DAV: 12 -0.896458570508E+02 -0.98587E-03 -0.34658E-03 672 0.358E-01 0.979E-02
DAV: 13 -0.896504971980E+02 -0.46401E-02 -0.30730E-03 630 0.294E-01 0.866E-02
DAV: 14 -0.896524343797E+02 -0.19372E-02 -0.57649E-04 816 0.189E-01 0.393E-02
DAV: 15 -0.896557265130E+02 -0.32921E-02 -0.77888E-04 627 0.145E-01 0.375E-02
DAV: 16 -0.896574852378E+02 -0.17587E-02 -0.23767E-04 808 0.103E-01 0.122E-02
DAV: 17 -0.896584324282E+02 -0.94719E-03 -0.17148E-04 677 0.646E-02 0.200E-02
DAV: 18 -0.896587119771E+02 -0.27955E-03 -0.28853E-05 544 0.359E-02 0.110E-02
DAV: 19 -0.896588392395E+02 -0.12726E-03 -0.36502E-05 664 0.340E-02 0.453E-03
DAV: 20 -0.896589221889E+02 -0.82949E-04 -0.76897E-06 420 0.174E-02 0.179E-03
DAV: 21 -0.896589467173E+02 -0.24528E-04 -0.29345E-06 480 0.735E-03 0.181E-03
DAV: 22 -0.896589587432E+02 -0.12026E-04 -0.22575E-06 409 0.800E-03 0.253E-03
DAV: 23 -0.896589603653E+02 -0.16221E-05 -0.70870E-07 488 0.648E-03
1 F= -.89658960E+02 E0= -.89663606E+02 d E =0.139376E-01