iterations/neb0_image01_iter149_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 0.365581036779E+03 0.36558E+03 -0.14297E+04 624 0.799E+02
DAV: 2 0.320837609349E+01 -0.36237E+03 -0.34952E+03 836 0.196E+02
DAV: 3 -0.955623384282E+02 -0.98771E+02 -0.98421E+02 666 0.116E+02
DAV: 4 -0.100198541958E+03 -0.46362E+01 -0.46250E+01 696 0.287E+01
DAV: 5 -0.100291832194E+03 -0.93290E-01 -0.93241E-01 736 0.363E+00 0.222E+01
DAV: 6 -0.916749500990E+02 0.86169E+01 -0.31006E+01 696 0.299E+01 0.116E+01
DAV: 7 -0.908756474806E+02 0.79930E+00 -0.18305E+00 704 0.639E+00 0.484E+00
DAV: 8 -0.905006123352E+02 0.37504E+00 -0.55542E-01 704 0.429E+00 0.166E+00
DAV: 9 -0.904189683389E+02 0.81644E-01 -0.13151E-01 720 0.167E+00 0.422E-01
DAV: 10 -0.904144126646E+02 0.45557E-02 -0.47651E-02 712 0.124E+00 0.324E-01
DAV: 11 -0.904185703301E+02 -0.41577E-02 -0.82144E-03 608 0.593E-01 0.118E-01
DAV: 12 -0.904218762564E+02 -0.33059E-02 -0.63752E-03 632 0.429E-01 0.132E-01
DAV: 13 -0.904243671706E+02 -0.24909E-02 -0.15342E-03 853 0.305E-01 0.775E-02
DAV: 14 -0.904275705622E+02 -0.32034E-02 -0.16127E-03 642 0.208E-01 0.737E-02
DAV: 15 -0.904291139494E+02 -0.15434E-02 -0.29005E-04 704 0.116E-01 0.571E-02
DAV: 16 -0.904304318111E+02 -0.13179E-02 -0.11375E-03 661 0.207E-01 0.388E-02
DAV: 17 -0.904312872538E+02 -0.85544E-03 -0.15309E-04 714 0.843E-02 0.321E-02
DAV: 18 -0.904315879497E+02 -0.30070E-03 -0.59128E-05 672 0.378E-02 0.206E-02
DAV: 19 -0.904318053939E+02 -0.21744E-03 -0.10582E-04 641 0.602E-02 0.874E-03
DAV: 20 -0.904318282124E+02 -0.22819E-04 -0.12290E-05 536 0.223E-02 0.845E-03
DAV: 21 -0.904318715356E+02 -0.43323E-04 -0.79844E-06 404 0.162E-02 0.666E-03
DAV: 22 -0.904318881210E+02 -0.16585E-04 -0.35679E-06 480 0.138E-02 0.416E-03
DAV: 23 -0.904318938152E+02 -0.56942E-05 -0.78423E-06 464 0.162E-02
1 F= -.90431894E+02 E0= -.90438091E+02 d E =0.185906E-01