iterations/neb0_image03_iter20_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 0.362788138058E+03 0.36279E+03 -0.14290E+04 632 0.799E+02
DAV: 2 0.422327279293E+01 -0.35856E+03 -0.34556E+03 837 0.193E+02
DAV: 3 -0.949936070488E+02 -0.99217E+02 -0.98844E+02 704 0.115E+02
DAV: 4 -0.993859778860E+02 -0.43924E+01 -0.43829E+01 712 0.270E+01
DAV: 5 -0.994711893236E+02 -0.85211E-01 -0.85167E-01 736 0.337E+00 0.218E+01
DAV: 6 -0.909561421214E+02 0.85150E+01 -0.30769E+01 696 0.298E+01 0.113E+01
DAV: 7 -0.901547439303E+02 0.80140E+00 -0.17061E+00 736 0.633E+00 0.478E+00
DAV: 8 -0.897639895241E+02 0.39075E+00 -0.59638E-01 720 0.443E+00 0.166E+00
DAV: 9 -0.896736244020E+02 0.90365E-01 -0.13266E-01 728 0.167E+00 0.441E-01
DAV: 10 -0.896656587199E+02 0.79657E-02 -0.43699E-02 728 0.109E+00 0.325E-01
DAV: 11 -0.896701541198E+02 -0.44954E-02 -0.10315E-02 613 0.625E-01 0.123E-01
DAV: 12 -0.896721712935E+02 -0.20172E-02 -0.36407E-03 642 0.272E-01 0.122E-01
DAV: 13 -0.896760561629E+02 -0.38849E-02 -0.26284E-03 773 0.382E-01 0.791E-02
DAV: 14 -0.896788103933E+02 -0.27542E-02 -0.90251E-04 671 0.147E-01 0.622E-02
DAV: 15 -0.896810830913E+02 -0.22727E-02 -0.74193E-04 749 0.163E-01 0.295E-02
DAV: 16 -0.896821736350E+02 -0.10905E-02 -0.13061E-04 680 0.686E-02 0.198E-02
DAV: 17 -0.896831079998E+02 -0.93436E-03 -0.13438E-04 698 0.598E-02 0.104E-02
DAV: 18 -0.896833618276E+02 -0.25383E-03 -0.21380E-05 509 0.273E-02 0.591E-03
DAV: 19 -0.896835482908E+02 -0.18646E-03 -0.23853E-05 538 0.201E-02 0.300E-03
DAV: 20 -0.896836000654E+02 -0.51775E-04 -0.33609E-06 501 0.109E-02 0.136E-03
DAV: 21 -0.896836475031E+02 -0.47438E-04 -0.75549E-06 420 0.104E-02 0.208E-03
DAV: 22 -0.896836501988E+02 -0.26956E-05 -0.88959E-07 536 0.563E-03
1 F= -.89683650E+02 E0= -.89690004E+02 d E =0.190604E-01