iterations/neb0_image04_iter208_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 0.365461916208E+03 0.36546E+03 -0.14326E+04 632 0.799E+02
DAV: 2 0.180357998578E+01 -0.36366E+03 -0.35096E+03 861 0.194E+02
DAV: 3 -0.959244457826E+02 -0.97728E+02 -0.97417E+02 653 0.116E+02
DAV: 4 -0.100292537778E+03 -0.43681E+01 -0.43591E+01 728 0.285E+01
DAV: 5 -0.100376029854E+03 -0.83492E-01 -0.83465E-01 720 0.356E+00 0.223E+01
DAV: 6 -0.916660753806E+02 0.87100E+01 -0.31172E+01 685 0.298E+01 0.117E+01
DAV: 7 -0.908062483987E+02 0.85983E+00 -0.17871E+00 704 0.642E+00 0.483E+00
DAV: 8 -0.903931656730E+02 0.41308E+00 -0.55460E-01 704 0.440E+00 0.171E+00
DAV: 9 -0.903006744338E+02 0.92491E-01 -0.14128E-01 720 0.193E+00 0.511E-01
DAV: 10 -0.902892631030E+02 0.11411E-01 -0.35326E-02 712 0.976E-01 0.339E-01
DAV: 11 -0.902911923423E+02 -0.19292E-02 -0.85830E-03 696 0.530E-01 0.209E-01
DAV: 12 -0.902936801007E+02 -0.24878E-02 -0.27776E-03 733 0.459E-01 0.124E-01
DAV: 13 -0.902971874403E+02 -0.35073E-02 -0.22510E-03 618 0.298E-01 0.953E-02
DAV: 14 -0.903017726583E+02 -0.45852E-02 -0.20456E-03 628 0.248E-01 0.501E-02
DAV: 15 -0.903033504348E+02 -0.15778E-02 -0.30346E-04 672 0.950E-02 0.417E-02
DAV: 16 -0.903058624561E+02 -0.25120E-02 -0.75693E-04 716 0.181E-01 0.357E-02
DAV: 17 -0.903066198479E+02 -0.75739E-03 -0.12175E-04 680 0.670E-02 0.330E-02
DAV: 18 -0.903072100358E+02 -0.59019E-03 -0.15879E-04 719 0.728E-02 0.165E-02
DAV: 19 -0.903075090931E+02 -0.29906E-03 -0.72047E-05 712 0.513E-02 0.918E-03
DAV: 20 -0.903076469329E+02 -0.13784E-03 -0.13393E-05 463 0.184E-02 0.737E-03
DAV: 21 -0.903077230357E+02 -0.76103E-04 -0.10181E-05 439 0.153E-02 0.312E-03
DAV: 22 -0.903077671694E+02 -0.44134E-04 -0.83611E-06 455 0.131E-02 0.182E-03
DAV: 23 -0.903077734497E+02 -0.62803E-05 -0.12520E-06 504 0.578E-03
1 F= -.90307773E+02 E0= -.90316211E+02 d E =0.253126E-01