./iterations/neb0_image09_iter204_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 0.374117546901E+03 0.37412E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.325273736930E+01 -0.37086E+03 -0.35819E+03 869 0.196E+02
DAV: 3 -0.967424171487E+02 -0.99995E+02 -0.99665E+02 661 0.117E+02
DAV: 4 -0.101273790791E+03 -0.45314E+01 -0.45208E+01 720 0.287E+01
DAV: 5 -0.101362401413E+03 -0.88611E-01 -0.88569E-01 728 0.364E+00 0.227E+01
DAV: 6 -0.926814636772E+02 0.86809E+01 -0.30997E+01 725 0.301E+01 0.119E+01
DAV: 7 -0.918108007446E+02 0.87066E+00 -0.17264E+00 720 0.614E+00 0.479E+00
DAV: 8 -0.914348136885E+02 0.37599E+00 -0.54320E-01 712 0.394E+00 0.163E+00
DAV: 9 -0.913533563377E+02 0.81457E-01 -0.13155E-01 712 0.155E+00 0.424E-01
DAV: 10 -0.913450964132E+02 0.82599E-02 -0.44378E-02 768 0.111E+00 0.299E-01
DAV: 11 -0.913495215188E+02 -0.44251E-02 -0.12021E-02 608 0.571E-01 0.134E-01
DAV: 12 -0.913527547542E+02 -0.32332E-02 -0.29216E-03 623 0.244E-01 0.113E-01
DAV: 13 -0.913562797946E+02 -0.35250E-02 -0.14678E-03 725 0.212E-01 0.416E-02
DAV: 14 -0.913593713317E+02 -0.30915E-02 -0.54548E-04 664 0.129E-01 0.340E-02
DAV: 15 -0.913609828752E+02 -0.16115E-02 -0.14364E-04 656 0.732E-02 0.328E-02
DAV: 16 -0.913623368606E+02 -0.13540E-02 -0.32921E-04 656 0.915E-02 0.193E-02
DAV: 17 -0.913626473593E+02 -0.31050E-03 -0.60191E-05 696 0.587E-02 0.122E-02
DAV: 18 -0.913629044672E+02 -0.25711E-03 -0.47374E-05 565 0.313E-02 0.107E-02
DAV: 19 -0.913629814849E+02 -0.77018E-04 -0.82822E-06 488 0.185E-02 0.569E-03
DAV: 20 -0.913630146128E+02 -0.33128E-04 -0.15441E-05 432 0.259E-02 0.340E-03
DAV: 21 -0.913630299528E+02 -0.15340E-04 -0.34340E-06 456 0.106E-02 0.319E-03
DAV: 22 -0.913630353661E+02 -0.54134E-05 -0.10977E-06 472 0.582E-03
1 F= -.91363035E+02 E0= -.91367822E+02 d E =0.143606E-01