./iterations/neb0_image08_iter128_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 0.374395351089E+03 0.37440E+03 -0.14276E+04 624 0.799E+02
DAV: 2 0.315621008936E+01 -0.37124E+03 -0.35845E+03 869 0.196E+02
DAV: 3 -0.967427950782E+02 -0.99899E+02 -0.99559E+02 677 0.117E+02
DAV: 4 -0.101144703856E+03 -0.44019E+01 -0.43914E+01 704 0.278E+01
DAV: 5 -0.101232304937E+03 -0.87601E-01 -0.87566E-01 736 0.352E+00 0.226E+01
DAV: 6 -0.926189463415E+02 0.86134E+01 -0.30840E+01 711 0.302E+01 0.118E+01
DAV: 7 -0.917609177879E+02 0.85803E+00 -0.16979E+00 720 0.615E+00 0.479E+00
DAV: 8 -0.913840193080E+02 0.37690E+00 -0.55621E-01 712 0.402E+00 0.162E+00
DAV: 9 -0.913019440050E+02 0.82075E-01 -0.13024E-01 720 0.156E+00 0.424E-01
DAV: 10 -0.912930414367E+02 0.89026E-02 -0.45327E-02 728 0.111E+00 0.302E-01
DAV: 11 -0.912979269052E+02 -0.48855E-02 -0.13925E-02 605 0.608E-01 0.159E-01
DAV: 12 -0.913007234733E+02 -0.27966E-02 -0.28490E-03 631 0.254E-01 0.107E-01
DAV: 13 -0.913041673513E+02 -0.34439E-02 -0.15000E-03 663 0.203E-01 0.476E-02
DAV: 14 -0.913076545313E+02 -0.34872E-02 -0.86723E-04 648 0.197E-01 0.398E-02
DAV: 15 -0.913089272205E+02 -0.12727E-02 -0.28640E-04 672 0.105E-01 0.390E-02
DAV: 16 -0.913099835322E+02 -0.10563E-02 -0.27701E-04 664 0.950E-02 0.160E-02
DAV: 17 -0.913106724441E+02 -0.68891E-03 -0.81673E-05 653 0.488E-02 0.145E-02
DAV: 18 -0.913109398846E+02 -0.26744E-03 -0.41275E-05 592 0.340E-02 0.109E-02
DAV: 19 -0.913110559637E+02 -0.11608E-03 -0.19264E-05 464 0.237E-02 0.565E-03
DAV: 20 -0.913110874848E+02 -0.31521E-04 -0.66067E-06 464 0.131E-02 0.332E-03
DAV: 21 -0.913111100392E+02 -0.22554E-04 -0.57892E-06 412 0.161E-02 0.210E-03
DAV: 22 -0.913111168862E+02 -0.68470E-05 -0.20196E-06 472 0.678E-03
1 F= -.91311117E+02 E0= -.91316126E+02 d E =0.150259E-01