iterations/neb0_image03_iter12_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 0.364004433129E+03 0.36400E+03 -0.14238E+04 624 0.799E+02
DAV: 2 0.486005113179E+01 -0.35914E+03 -0.34627E+03 845 0.193E+02
DAV: 3 -0.941263257752E+02 -0.98986E+02 -0.98591E+02 696 0.115E+02
DAV: 4 -0.986095855710E+02 -0.44833E+01 -0.44708E+01 712 0.274E+01
DAV: 5 -0.987060495782E+02 -0.96464E-01 -0.96415E-01 728 0.350E+00 0.219E+01
DAV: 6 -0.901084330808E+02 0.85976E+01 -0.30993E+01 720 0.298E+01 0.113E+01
DAV: 7 -0.893171325477E+02 0.79130E+00 -0.17687E+00 728 0.672E+00 0.483E+00
DAV: 8 -0.889314142641E+02 0.38572E+00 -0.63613E-01 704 0.470E+00 0.169E+00
DAV: 9 -0.888440373116E+02 0.87377E-01 -0.13727E-01 728 0.174E+00 0.458E-01
DAV: 10 -0.888365708050E+02 0.74665E-02 -0.32920E-02 717 0.930E-01 0.321E-01
DAV: 11 -0.888397706703E+02 -0.31999E-02 -0.71764E-03 688 0.565E-01 0.127E-01
DAV: 12 -0.888415746719E+02 -0.18040E-02 -0.27304E-03 609 0.278E-01 0.109E-01
DAV: 13 -0.888452742796E+02 -0.36996E-02 -0.18224E-03 784 0.278E-01 0.697E-02
DAV: 14 -0.888486951144E+02 -0.34208E-02 -0.86136E-04 631 0.141E-01 0.546E-02
DAV: 15 -0.888509725053E+02 -0.22774E-02 -0.67760E-04 808 0.184E-01 0.308E-02
DAV: 16 -0.888520314632E+02 -0.10590E-02 -0.13049E-04 712 0.746E-02 0.212E-02
DAV: 17 -0.888531384782E+02 -0.11070E-02 -0.23403E-04 778 0.789E-02 0.143E-02
DAV: 18 -0.888535013293E+02 -0.36285E-03 -0.38283E-05 616 0.455E-02 0.605E-03
DAV: 19 -0.888536559031E+02 -0.15457E-03 -0.32882E-05 624 0.276E-02 0.705E-03
DAV: 20 -0.888537491349E+02 -0.93232E-04 -0.80875E-06 456 0.198E-02 0.264E-03
DAV: 21 -0.888537873215E+02 -0.38187E-04 -0.11757E-05 496 0.185E-02 0.419E-03
DAV: 22 -0.888538073328E+02 -0.20011E-04 -0.29262E-06 439 0.113E-02 0.195E-03
DAV: 23 -0.888538111228E+02 -0.37900E-05 -0.22739E-06 504 0.817E-03
1 F= -.88853811E+02 E0= -.88864265E+02 d E =0.313606E-01