./iterations/neb0_image07_iter55_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 0.376945951499E+03 0.37695E+03 -0.14274E+04 624 0.799E+02
DAV: 2 0.430816369007E+01 -0.37264E+03 -0.35940E+03 869 0.196E+02
DAV: 3 -0.962279390696E+02 -0.10054E+03 -0.10020E+03 672 0.117E+02
DAV: 4 -0.100719109954E+03 -0.44912E+01 -0.44808E+01 696 0.285E+01
DAV: 5 -0.100808467932E+03 -0.89358E-01 -0.89315E-01 720 0.360E+00 0.226E+01
DAV: 6 -0.922509951672E+02 0.85575E+01 -0.30615E+01 701 0.302E+01 0.118E+01
DAV: 7 -0.913952243487E+02 0.85577E+00 -0.16523E+00 728 0.615E+00 0.481E+00
DAV: 8 -0.910145477143E+02 0.38068E+00 -0.56146E-01 704 0.411E+00 0.162E+00
DAV: 9 -0.909299841767E+02 0.84564E-01 -0.13065E-01 712 0.156E+00 0.427E-01
DAV: 10 -0.909200195092E+02 0.99647E-02 -0.47779E-02 728 0.112E+00 0.311E-01
DAV: 11 -0.909241899618E+02 -0.41705E-02 -0.11001E-02 616 0.553E-01 0.130E-01
DAV: 12 -0.909275289939E+02 -0.33390E-02 -0.39231E-03 608 0.314E-01 0.139E-01
DAV: 13 -0.909307999902E+02 -0.32710E-02 -0.15182E-03 752 0.264E-01 0.602E-02
DAV: 14 -0.909336008270E+02 -0.28008E-02 -0.97636E-04 669 0.142E-01 0.521E-02
DAV: 15 -0.909364081040E+02 -0.28073E-02 -0.31533E-04 642 0.913E-02 0.376E-02
DAV: 16 -0.909375961803E+02 -0.11881E-02 -0.36115E-04 677 0.972E-02 0.235E-02
DAV: 17 -0.909382620725E+02 -0.66589E-03 -0.11271E-04 685 0.672E-02 0.132E-02
DAV: 18 -0.909384362241E+02 -0.17415E-03 -0.33985E-05 672 0.290E-02 0.109E-02
DAV: 19 -0.909385179545E+02 -0.81730E-04 -0.12989E-05 437 0.251E-02 0.432E-03
DAV: 20 -0.909385415541E+02 -0.23600E-04 -0.85622E-06 512 0.166E-02 0.298E-03
DAV: 21 -0.909385709191E+02 -0.29365E-04 -0.35436E-06 404 0.993E-03 0.199E-03
DAV: 22 -0.909385825633E+02 -0.11644E-04 -0.16993E-06 469 0.527E-03 0.136E-03
DAV: 23 -0.909385855275E+02 -0.29642E-05 -0.69323E-07 455 0.508E-03
1 F= -.90938586E+02 E0= -.90943945E+02 d E =0.160785E-01