./iterations/neb0_image05_iter105_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 0.373074907618E+03 0.37307E+03 -0.14305E+04 632 0.799E+02
DAV: 2 0.366826744243E+01 -0.36941E+03 -0.35706E+03 882 0.194E+02
DAV: 3 -0.942359289787E+02 -0.97904E+02 -0.97542E+02 637 0.116E+02
DAV: 4 -0.988258966462E+02 -0.45900E+01 -0.45782E+01 704 0.296E+01
DAV: 5 -0.989239584854E+02 -0.98062E-01 -0.98008E-01 720 0.384E+00 0.219E+01
DAV: 6 -0.905593279320E+02 0.83646E+01 -0.28663E+01 682 0.289E+01 0.112E+01
DAV: 7 -0.896690905003E+02 0.89024E+00 -0.18018E+00 728 0.671E+00 0.469E+00
DAV: 8 -0.892747741855E+02 0.39432E+00 -0.63264E-01 704 0.452E+00 0.156E+00
DAV: 9 -0.891917904067E+02 0.82984E-01 -0.12570E-01 728 0.170E+00 0.452E-01
DAV: 10 -0.891797057995E+02 0.12085E-01 -0.51465E-02 736 0.122E+00 0.348E-01
DAV: 11 -0.891811817697E+02 -0.14760E-02 -0.13159E-02 640 0.657E-01 0.130E-01
DAV: 12 -0.891825792251E+02 -0.13975E-02 -0.32753E-03 688 0.327E-01 0.128E-01
DAV: 13 -0.891885094597E+02 -0.59302E-02 -0.38577E-03 668 0.410E-01 0.806E-02
DAV: 14 -0.891912069052E+02 -0.26974E-02 -0.89453E-04 680 0.166E-01 0.566E-02
DAV: 15 -0.891942747290E+02 -0.30678E-02 -0.13793E-03 631 0.212E-01 0.450E-02
DAV: 16 -0.891952706380E+02 -0.99591E-03 -0.17874E-04 760 0.930E-02 0.251E-02
DAV: 17 -0.891964607971E+02 -0.11902E-02 -0.24439E-04 628 0.798E-02 0.123E-02
DAV: 18 -0.891969627176E+02 -0.50192E-03 -0.47443E-05 616 0.363E-02 0.856E-03
DAV: 19 -0.891971433911E+02 -0.18067E-03 -0.27565E-05 528 0.290E-02 0.473E-03
DAV: 20 -0.891972486865E+02 -0.10530E-03 -0.16332E-05 430 0.187E-02 0.566E-03
DAV: 21 -0.891972641425E+02 -0.15456E-04 -0.23774E-06 504 0.101E-02 0.429E-03
DAV: 22 -0.891972756829E+02 -0.11540E-04 -0.83879E-06 406 0.189E-02 0.322E-03
DAV: 23 -0.891972760728E+02 -0.38983E-06 -0.16936E-06 544 0.876E-03
1 F= -.89197276E+02 E0= -.89201189E+02 d E =0.117391E-01