./iterations/neb0_image01_iter182_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 0.365360449426E+03 0.36536E+03 -0.14296E+04 624 0.799E+02
DAV: 2 0.315110878313E+01 -0.36221E+03 -0.34927E+03 842 0.196E+02
DAV: 3 -0.955763431518E+02 -0.98727E+02 -0.98378E+02 669 0.116E+02
DAV: 4 -0.100204951702E+03 -0.46286E+01 -0.46176E+01 688 0.287E+01
DAV: 5 -0.100298099026E+03 -0.93147E-01 -0.93098E-01 720 0.362E+00 0.222E+01
DAV: 6 -0.916776625772E+02 0.86204E+01 -0.31055E+01 688 0.299E+01 0.116E+01
DAV: 7 -0.908817452101E+02 0.79592E+00 -0.18309E+00 712 0.639E+00 0.484E+00
DAV: 8 -0.905075978910E+02 0.37415E+00 -0.54979E-01 704 0.428E+00 0.167E+00
DAV: 9 -0.904250856027E+02 0.82512E-01 -0.13300E-01 712 0.167E+00 0.423E-01
DAV: 10 -0.904204421836E+02 0.46434E-02 -0.46878E-02 720 0.124E+00 0.321E-01
DAV: 11 -0.904245592941E+02 -0.41171E-02 -0.79748E-03 608 0.572E-01 0.120E-01
DAV: 12 -0.904278634631E+02 -0.33042E-02 -0.63363E-03 637 0.441E-01 0.130E-01
DAV: 13 -0.904302992477E+02 -0.24358E-02 -0.15981E-03 861 0.306E-01 0.746E-02
DAV: 14 -0.904335219440E+02 -0.32227E-02 -0.14672E-03 631 0.194E-01 0.683E-02
DAV: 15 -0.904350670100E+02 -0.15451E-02 -0.29297E-04 704 0.113E-01 0.542E-02
DAV: 16 -0.904364575264E+02 -0.13905E-02 -0.11427E-03 661 0.209E-01 0.408E-02
DAV: 17 -0.904372515375E+02 -0.79401E-03 -0.15114E-04 664 0.844E-02 0.350E-02
DAV: 18 -0.904375356460E+02 -0.28411E-03 -0.70425E-05 688 0.421E-02 0.211E-02
DAV: 19 -0.904377505080E+02 -0.21486E-03 -0.10560E-04 625 0.593E-02 0.846E-03
DAV: 20 -0.904377809148E+02 -0.30407E-04 -0.13687E-05 512 0.247E-02 0.101E-02
DAV: 21 -0.904378158455E+02 -0.34931E-04 -0.84297E-06 410 0.176E-02 0.849E-03
DAV: 22 -0.904378345079E+02 -0.18662E-04 -0.50330E-06 471 0.198E-02 0.464E-03
DAV: 23 -0.904378384409E+02 -0.39330E-05 -0.13601E-05 504 0.204E-02
1 F= -.90437838E+02 E0= -.90443120E+02 d E =0.158447E-01