iterations/neb0_image07_iter78_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 0.377950757955E+03 0.37795E+03 -0.14283E+04 624 0.799E+02
DAV: 2 0.368111572397E+01 -0.37427E+03 -0.36208E+03 877 0.196E+02
DAV: 3 -0.964641286218E+02 -0.10015E+03 -0.99823E+02 672 0.117E+02
DAV: 4 -0.100899583625E+03 -0.44355E+01 -0.44248E+01 712 0.283E+01
DAV: 5 -0.100986936589E+03 -0.87353E-01 -0.87318E-01 728 0.357E+00 0.228E+01
DAV: 6 -0.923540227644E+02 0.86329E+01 -0.30692E+01 701 0.303E+01 0.119E+01
DAV: 7 -0.914793734954E+02 0.87465E+00 -0.16704E+00 720 0.614E+00 0.482E+00
DAV: 8 -0.910960013482E+02 0.38337E+00 -0.55970E-01 696 0.405E+00 0.163E+00
DAV: 9 -0.910114399679E+02 0.84561E-01 -0.13366E-01 712 0.156E+00 0.427E-01
DAV: 10 -0.910018315323E+02 0.96084E-02 -0.48373E-02 712 0.113E+00 0.311E-01
DAV: 11 -0.910062690911E+02 -0.44376E-02 -0.12054E-02 616 0.581E-01 0.135E-01
DAV: 12 -0.910095638383E+02 -0.32947E-02 -0.39445E-03 621 0.296E-01 0.152E-01
DAV: 13 -0.910130923643E+02 -0.35285E-02 -0.26871E-03 728 0.327E-01 0.545E-02
DAV: 14 -0.910156558186E+02 -0.25635E-02 -0.68721E-04 656 0.124E-01 0.596E-02
DAV: 15 -0.910182719321E+02 -0.26161E-02 -0.27975E-04 642 0.816E-02 0.388E-02
DAV: 16 -0.910196049776E+02 -0.13330E-02 -0.55460E-04 677 0.118E-01 0.330E-02
DAV: 17 -0.910201228248E+02 -0.51785E-03 -0.16765E-04 688 0.810E-02 0.101E-02
DAV: 18 -0.910202806914E+02 -0.15787E-03 -0.30650E-05 624 0.285E-02 0.721E-03
DAV: 19 -0.910203589522E+02 -0.78261E-04 -0.11978E-05 429 0.235E-02 0.226E-03
DAV: 20 -0.910204029556E+02 -0.44003E-04 -0.75488E-06 439 0.123E-02 0.347E-03
DAV: 21 -0.910204095427E+02 -0.65871E-05 -0.93718E-07 536 0.503E-03
1 F= -.91020410E+02 E0= -.91025640E+02 d E =0.156924E-01