./iterations/neb0_image03_iter226_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 0.362245158382E+03 0.36225E+03 -0.14317E+04 632 0.799E+02
DAV: 2 0.289543698339E+00 -0.36196E+03 -0.35129E+03 850 0.195E+02
DAV: 3 -0.958778919627E+02 -0.96167E+02 -0.95843E+02 672 0.115E+02
DAV: 4 -0.100191334198E+03 -0.43134E+01 -0.43024E+01 712 0.275E+01
DAV: 5 -0.100279030727E+03 -0.87697E-01 -0.87666E-01 744 0.348E+00 0.222E+01
DAV: 6 -0.916957228129E+02 0.85833E+01 -0.30918E+01 685 0.297E+01 0.117E+01
DAV: 7 -0.908555023283E+02 0.84022E+00 -0.17912E+00 720 0.641E+00 0.486E+00
DAV: 8 -0.904575791958E+02 0.39792E+00 -0.57527E-01 688 0.444E+00 0.168E+00
DAV: 9 -0.903661778101E+02 0.91401E-01 -0.13771E-01 720 0.173E+00 0.446E-01
DAV: 10 -0.903590463173E+02 0.71315E-02 -0.51649E-02 704 0.133E+00 0.345E-01
DAV: 11 -0.903626245086E+02 -0.35782E-02 -0.75878E-03 624 0.559E-01 0.144E-01
DAV: 12 -0.903667139059E+02 -0.40894E-02 -0.85575E-03 618 0.464E-01 0.145E-01
DAV: 13 -0.903698071950E+02 -0.30933E-02 -0.21885E-03 936 0.393E-01 0.839E-02
DAV: 14 -0.903731621708E+02 -0.33550E-02 -0.15191E-03 637 0.198E-01 0.702E-02
DAV: 15 -0.903754220156E+02 -0.22598E-02 -0.42509E-04 680 0.104E-01 0.529E-02
DAV: 16 -0.903767173941E+02 -0.12954E-02 -0.60016E-04 656 0.145E-01 0.223E-02
DAV: 17 -0.903777406866E+02 -0.10233E-02 -0.12394E-04 669 0.563E-02 0.257E-02
DAV: 18 -0.903781763368E+02 -0.43565E-03 -0.64494E-05 664 0.402E-02 0.144E-02
DAV: 19 -0.903783460639E+02 -0.16973E-03 -0.67312E-05 672 0.445E-02 0.855E-03
DAV: 20 -0.903783924768E+02 -0.46413E-04 -0.55274E-06 488 0.150E-02 0.670E-03
DAV: 21 -0.903784519398E+02 -0.59463E-04 -0.12275E-05 477 0.176E-02 0.262E-03
DAV: 22 -0.903784609220E+02 -0.89822E-05 -0.29053E-06 496 0.955E-03
1 F= -.90378461E+02 E0= -.90384995E+02 d E =0.196030E-01