./iterations/neb0_image07_iter255_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 0.372020973872E+03 0.37202E+03 -0.14326E+04 632 0.799E+02
DAV: 2 0.376147066174E+01 -0.36826E+03 -0.35660E+03 869 0.194E+02
DAV: 3 -0.967051435003E+02 -0.10047E+03 -0.10014E+03 693 0.116E+02
DAV: 4 -0.101205789425E+03 -0.45006E+01 -0.44895E+01 704 0.280E+01
DAV: 5 -0.101294025343E+03 -0.88236E-01 -0.88187E-01 736 0.354E+00 0.228E+01
DAV: 6 -0.926187102288E+02 0.86753E+01 -0.30946E+01 693 0.300E+01 0.119E+01
DAV: 7 -0.917609534336E+02 0.85776E+00 -0.17300E+00 736 0.617E+00 0.481E+00
DAV: 8 -0.913848203644E+02 0.37613E+00 -0.53675E-01 736 0.395E+00 0.162E+00
DAV: 9 -0.913022089028E+02 0.82611E-01 -0.13015E-01 712 0.155E+00 0.421E-01
DAV: 10 -0.912931296912E+02 0.90792E-02 -0.43327E-02 749 0.107E+00 0.298E-01
DAV: 11 -0.912977970070E+02 -0.46673E-02 -0.13585E-02 608 0.606E-01 0.155E-01
DAV: 12 -0.913006593951E+02 -0.28624E-02 -0.27516E-03 623 0.258E-01 0.951E-02
DAV: 13 -0.913044390971E+02 -0.37797E-02 -0.17239E-03 633 0.205E-01 0.503E-02
DAV: 14 -0.913077656264E+02 -0.33265E-02 -0.96440E-04 722 0.222E-01 0.468E-02
DAV: 15 -0.913092361886E+02 -0.14706E-02 -0.40352E-04 680 0.113E-01 0.328E-02
DAV: 16 -0.913100513870E+02 -0.81520E-03 -0.15961E-04 728 0.775E-02 0.111E-02
DAV: 17 -0.913109388599E+02 -0.88747E-03 -0.12641E-04 703 0.575E-02 0.158E-02
DAV: 18 -0.913111380978E+02 -0.19924E-03 -0.15506E-05 504 0.299E-02 0.930E-03
DAV: 19 -0.913112811491E+02 -0.14305E-03 -0.47008E-05 617 0.363E-02 0.725E-03
DAV: 20 -0.913113062314E+02 -0.25082E-04 -0.48345E-06 504 0.202E-02 0.301E-03
DAV: 21 -0.913113247574E+02 -0.18526E-04 -0.28734E-06 423 0.842E-03 0.195E-03
DAV: 22 -0.913113386025E+02 -0.13845E-04 -0.23264E-06 434 0.863E-03 0.869E-04
DAV: 23 -0.913113397222E+02 -0.11197E-05 -0.11686E-06 520 0.568E-03
1 F= -.91311340E+02 E0= -.91316255E+02 d E =0.147470E-01