iterations/neb0_image07_iter183_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 0.371424448203E+03 0.37142E+03 -0.14324E+04 632 0.799E+02
DAV: 2 0.326792070624E+01 -0.36816E+03 -0.35553E+03 869 0.194E+02
DAV: 3 -0.964145919821E+02 -0.99683E+02 -0.99362E+02 672 0.116E+02
DAV: 4 -0.101074406677E+03 -0.46598E+01 -0.46478E+01 696 0.287E+01
DAV: 5 -0.101169928554E+03 -0.95522E-01 -0.95457E-01 736 0.368E+00 0.226E+01
DAV: 6 -0.925741531281E+02 0.85958E+01 -0.30504E+01 736 0.299E+01 0.119E+01
DAV: 7 -0.917174793627E+02 0.85667E+00 -0.17298E+00 720 0.615E+00 0.479E+00
DAV: 8 -0.913459316473E+02 0.37155E+00 -0.52806E-01 728 0.395E+00 0.163E+00
DAV: 9 -0.912644773631E+02 0.81454E-01 -0.13145E-01 728 0.158E+00 0.420E-01
DAV: 10 -0.912560409902E+02 0.84364E-02 -0.42087E-02 741 0.108E+00 0.294E-01
DAV: 11 -0.912602902082E+02 -0.42492E-02 -0.11821E-02 616 0.573E-01 0.139E-01
DAV: 12 -0.912631460831E+02 -0.28559E-02 -0.25148E-03 642 0.258E-01 0.930E-02
DAV: 13 -0.912670304709E+02 -0.38844E-02 -0.14739E-03 623 0.195E-01 0.516E-02
DAV: 14 -0.912698188289E+02 -0.27884E-02 -0.56389E-04 768 0.181E-01 0.345E-02
DAV: 15 -0.912716572963E+02 -0.18385E-02 -0.34145E-04 658 0.996E-02 0.324E-02
DAV: 16 -0.912726951842E+02 -0.10379E-02 -0.15291E-04 741 0.712E-02 0.136E-02
DAV: 17 -0.912734823931E+02 -0.78721E-03 -0.97788E-05 682 0.477E-02 0.124E-02
DAV: 18 -0.912737181035E+02 -0.23571E-03 -0.24700E-05 560 0.333E-02 0.700E-03
DAV: 19 -0.912738493078E+02 -0.13120E-03 -0.20836E-05 468 0.220E-02 0.530E-03
DAV: 20 -0.912738591584E+02 -0.98506E-05 -0.28796E-06 536 0.130E-02
1 F= -.91273859E+02 E0= -.91279468E+02 d E =0.168271E-01