iterations/neb0_image03_iter227_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 0.363387081532E+03 0.36339E+03 -0.14324E+04 632 0.799E+02
DAV: 2 -0.651510040548E-01 -0.36345E+03 -0.35383E+03 850 0.195E+02
DAV: 3 -0.960683283317E+02 -0.96003E+02 -0.95691E+02 672 0.115E+02
DAV: 4 -0.100288968204E+03 -0.42206E+01 -0.42096E+01 720 0.273E+01
DAV: 5 -0.100372006456E+03 -0.83038E-01 -0.83007E-01 736 0.344E+00 0.222E+01
DAV: 6 -0.917339403336E+02 0.86381E+01 -0.31030E+01 688 0.298E+01 0.117E+01
DAV: 7 -0.908861108130E+02 0.84783E+00 -0.18030E+00 712 0.637E+00 0.485E+00
DAV: 8 -0.904895885563E+02 0.39652E+00 -0.57102E-01 696 0.435E+00 0.168E+00
DAV: 9 -0.903965962988E+02 0.92992E-01 -0.13365E-01 728 0.168E+00 0.438E-01
DAV: 10 -0.903892604245E+02 0.73359E-02 -0.52720E-02 712 0.129E+00 0.346E-01
DAV: 11 -0.903934241239E+02 -0.41637E-02 -0.87492E-03 640 0.618E-01 0.126E-01
DAV: 12 -0.903970525435E+02 -0.36284E-02 -0.68576E-03 621 0.387E-01 0.139E-01
DAV: 13 -0.904004342614E+02 -0.33817E-02 -0.20082E-03 853 0.364E-01 0.889E-02
DAV: 14 -0.904037075203E+02 -0.32733E-02 -0.14166E-03 642 0.186E-01 0.681E-02
DAV: 15 -0.904058518037E+02 -0.21443E-02 -0.31784E-04 672 0.925E-02 0.437E-02
DAV: 16 -0.904075095516E+02 -0.16577E-02 -0.72598E-04 653 0.154E-01 0.331E-02
DAV: 17 -0.904081541439E+02 -0.64459E-03 -0.93511E-05 688 0.681E-02 0.227E-02
DAV: 18 -0.904086793917E+02 -0.52525E-03 -0.20470E-04 642 0.783E-02 0.128E-02
DAV: 19 -0.904087706499E+02 -0.91258E-04 -0.12422E-05 496 0.279E-02 0.853E-03
DAV: 20 -0.904088494698E+02 -0.78820E-04 -0.28295E-05 546 0.293E-02 0.364E-03
DAV: 21 -0.904088850625E+02 -0.35593E-04 -0.32933E-06 480 0.130E-02 0.204E-03
DAV: 22 -0.904089032232E+02 -0.18161E-04 -0.43690E-06 421 0.106E-02 0.161E-03
DAV: 23 -0.904089057646E+02 -0.25414E-05 -0.63819E-07 528 0.495E-03
1 F= -.90408906E+02 E0= -.90415677E+02 d E =0.203123E-01