iterations/neb0_image02_iter197_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 0.367132189187E+03 0.36713E+03 -0.14300E+04 624 0.799E+02
DAV: 2 0.216580823743E+01 -0.36497E+03 -0.35294E+03 858 0.196E+02
DAV: 3 -0.956581717216E+02 -0.97824E+02 -0.97494E+02 648 0.116E+02
DAV: 4 -0.100259766146E+03 -0.46016E+01 -0.45909E+01 712 0.291E+01
DAV: 5 -0.100349626185E+03 -0.89860E-01 -0.89822E-01 736 0.366E+00 0.223E+01
DAV: 6 -0.916804083628E+02 0.86692E+01 -0.30987E+01 672 0.299E+01 0.117E+01
DAV: 7 -0.908579717760E+02 0.82244E+00 -0.18339E+00 728 0.636E+00 0.484E+00
DAV: 8 -0.904765476677E+02 0.38142E+00 -0.55197E-01 696 0.429E+00 0.170E+00
DAV: 9 -0.903901519281E+02 0.86396E-01 -0.13742E-01 720 0.168E+00 0.429E-01
DAV: 10 -0.903849029789E+02 0.52489E-02 -0.49804E-02 704 0.128E+00 0.331E-01
DAV: 11 -0.903885010085E+02 -0.35980E-02 -0.79525E-03 616 0.583E-01 0.125E-01
DAV: 12 -0.903915752171E+02 -0.30742E-02 -0.70176E-03 648 0.431E-01 0.136E-01
DAV: 13 -0.903940906834E+02 -0.25155E-02 -0.18897E-03 853 0.341E-01 0.817E-02
DAV: 14 -0.903973022864E+02 -0.32116E-02 -0.14327E-03 623 0.179E-01 0.703E-02
DAV: 15 -0.903991260066E+02 -0.18237E-02 -0.31673E-04 696 0.105E-01 0.533E-02
DAV: 16 -0.904006413533E+02 -0.15153E-02 -0.10839E-03 680 0.193E-01 0.410E-02
DAV: 17 -0.904013369856E+02 -0.69563E-03 -0.15372E-04 736 0.855E-02 0.276E-02
DAV: 18 -0.904016510281E+02 -0.31404E-03 -0.82557E-05 672 0.436E-02 0.114E-02
DAV: 19 -0.904018316857E+02 -0.18066E-03 -0.50780E-05 655 0.374E-02 0.751E-03
DAV: 20 -0.904018618505E+02 -0.30165E-04 -0.47528E-06 520 0.152E-02 0.609E-03
DAV: 21 -0.904019172060E+02 -0.55355E-04 -0.12538E-05 409 0.190E-02 0.339E-03
DAV: 22 -0.904019236604E+02 -0.64544E-05 -0.41274E-06 488 0.121E-02
1 F= -.90401924E+02 E0= -.90408528E+02 d E =0.198123E-01