./iterations/neb0_image05_iter247_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 0.367617368616E+03 0.36762E+03 -0.14302E+04 624 0.799E+02
DAV: 2 0.441749571870E+01 -0.36320E+03 -0.34849E+03 837 0.195E+02
DAV: 3 -0.956335056472E+02 -0.10005E+03 -0.99703E+02 688 0.117E+02
DAV: 4 -0.100137971325E+03 -0.45045E+01 -0.44923E+01 696 0.279E+01
DAV: 5 -0.100224746624E+03 -0.86775E-01 -0.86733E-01 728 0.348E+00 0.222E+01
DAV: 6 -0.916097297622E+02 0.86150E+01 -0.31240E+01 704 0.300E+01 0.117E+01
DAV: 7 -0.907903538391E+02 0.81938E+00 -0.17610E+00 728 0.624E+00 0.482E+00
DAV: 8 -0.904122984929E+02 0.37806E+00 -0.54363E-01 728 0.426E+00 0.167E+00
DAV: 9 -0.903242718480E+02 0.88027E-01 -0.12986E-01 720 0.167E+00 0.433E-01
DAV: 10 -0.903166488741E+02 0.76230E-02 -0.41556E-02 712 0.115E+00 0.342E-01
DAV: 11 -0.903186024057E+02 -0.19535E-02 -0.47008E-03 648 0.464E-01 0.190E-01
DAV: 12 -0.903217015736E+02 -0.30992E-02 -0.85492E-03 616 0.529E-01 0.139E-01
DAV: 13 -0.903236861823E+02 -0.19846E-02 -0.15343E-03 722 0.256E-01 0.968E-02
DAV: 14 -0.903279518331E+02 -0.42657E-02 -0.29049E-03 614 0.300E-01 0.700E-02
DAV: 15 -0.903305642719E+02 -0.26124E-02 -0.40065E-04 709 0.126E-01 0.533E-02
DAV: 16 -0.903329679118E+02 -0.24036E-02 -0.10251E-03 666 0.181E-01 0.340E-02
DAV: 17 -0.903335956742E+02 -0.62776E-03 -0.11267E-04 752 0.813E-02 0.225E-02
DAV: 18 -0.903341907838E+02 -0.59511E-03 -0.15260E-04 639 0.684E-02 0.119E-02
DAV: 19 -0.903344628458E+02 -0.27206E-03 -0.37605E-05 653 0.315E-02 0.778E-03
DAV: 20 -0.903345311480E+02 -0.68302E-04 -0.73391E-06 512 0.160E-02 0.391E-03
DAV: 21 -0.903346007074E+02 -0.69559E-04 -0.16675E-05 457 0.224E-02 0.389E-03
DAV: 22 -0.903346118888E+02 -0.11181E-04 -0.23465E-06 488 0.108E-02 0.276E-03
DAV: 23 -0.903346152165E+02 -0.33277E-05 -0.26343E-06 426 0.993E-03
1 F= -.90334615E+02 E0= -.90343009E+02 d E =0.251827E-01