./iterations/neb0_image02_iter166_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 0.364057919902E+03 0.36406E+03 -0.14332E+04 632 0.799E+02
DAV: 2 0.188249143229E+01 -0.36218E+03 -0.35013E+03 853 0.195E+02
DAV: 3 -0.956358360175E+02 -0.97518E+02 -0.97180E+02 648 0.115E+02
DAV: 4 -0.100244634855E+03 -0.46088E+01 -0.45981E+01 720 0.291E+01
DAV: 5 -0.100335764966E+03 -0.91130E-01 -0.91100E-01 752 0.367E+00 0.222E+01
DAV: 6 -0.916774537974E+02 0.86583E+01 -0.30980E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908601191174E+02 0.81733E+00 -0.18558E+00 704 0.637E+00 0.484E+00
DAV: 8 -0.904789063535E+02 0.38121E+00 -0.55474E-01 696 0.432E+00 0.170E+00
DAV: 9 -0.903915034173E+02 0.87403E-01 -0.13825E-01 712 0.168E+00 0.431E-01
DAV: 10 -0.903858627265E+02 0.56407E-02 -0.49605E-02 704 0.129E+00 0.330E-01
DAV: 11 -0.903893685735E+02 -0.35058E-02 -0.75904E-03 616 0.558E-01 0.132E-01
DAV: 12 -0.903925757562E+02 -0.32072E-02 -0.75184E-03 648 0.456E-01 0.138E-01
DAV: 13 -0.903950680644E+02 -0.24923E-02 -0.20046E-03 888 0.357E-01 0.818E-02
DAV: 14 -0.903982676031E+02 -0.31995E-02 -0.14215E-03 642 0.176E-01 0.688E-02
DAV: 15 -0.904001903413E+02 -0.19227E-02 -0.34692E-04 672 0.107E-01 0.525E-02
DAV: 16 -0.904017237359E+02 -0.15334E-02 -0.10541E-03 672 0.190E-01 0.405E-02
DAV: 17 -0.904024574765E+02 -0.73374E-03 -0.16214E-04 744 0.882E-02 0.265E-02
DAV: 18 -0.904027697017E+02 -0.31223E-03 -0.86915E-05 672 0.435E-02 0.104E-02
DAV: 19 -0.904029253043E+02 -0.15560E-03 -0.43438E-05 661 0.342E-02 0.729E-03
DAV: 20 -0.904029547692E+02 -0.29465E-04 -0.41694E-06 520 0.144E-02 0.594E-03
DAV: 21 -0.904030068662E+02 -0.52097E-04 -0.10077E-05 417 0.162E-02 0.316E-03
DAV: 22 -0.904030132598E+02 -0.63936E-05 -0.40723E-06 480 0.119E-02
1 F= -.90403013E+02 E0= -.90409448E+02 d E =0.193042E-01