./iterations/neb0_image02_iter223_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 0.366527892057E+03 0.36653E+03 -0.14297E+04 624 0.799E+02
DAV: 2 0.133416609959E+01 -0.36519E+03 -0.35421E+03 869 0.195E+02
DAV: 3 -0.956304138805E+02 -0.96965E+02 -0.96629E+02 640 0.116E+02
DAV: 4 -0.100240532684E+03 -0.46101E+01 -0.45990E+01 704 0.293E+01
DAV: 5 -0.100332051281E+03 -0.91519E-01 -0.91479E-01 736 0.370E+00 0.222E+01
DAV: 6 -0.916751599360E+02 0.86569E+01 -0.30978E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908566504265E+02 0.81851E+00 -0.18324E+00 712 0.637E+00 0.484E+00
DAV: 8 -0.904757959499E+02 0.38085E+00 -0.55391E-01 696 0.431E+00 0.170E+00
DAV: 9 -0.903897844473E+02 0.86012E-01 -0.13662E-01 720 0.167E+00 0.428E-01
DAV: 10 -0.903847695784E+02 0.50149E-02 -0.48751E-02 704 0.126E+00 0.328E-01
DAV: 11 -0.903885514167E+02 -0.37818E-02 -0.80855E-03 624 0.594E-01 0.119E-01
DAV: 12 -0.903914930315E+02 -0.29416E-02 -0.63758E-03 640 0.405E-01 0.133E-01
DAV: 13 -0.903940647822E+02 -0.25718E-02 -0.18343E-03 864 0.332E-01 0.808E-02
DAV: 14 -0.903972935666E+02 -0.32288E-02 -0.13483E-03 621 0.172E-01 0.691E-02
DAV: 15 -0.903990441155E+02 -0.17505E-02 -0.30841E-04 704 0.106E-01 0.512E-02
DAV: 16 -0.904005549589E+02 -0.15108E-02 -0.10610E-03 669 0.190E-01 0.421E-02
DAV: 17 -0.904011628372E+02 -0.60788E-03 -0.15297E-04 760 0.881E-02 0.269E-02
DAV: 18 -0.904014544940E+02 -0.29166E-03 -0.73238E-05 672 0.410E-02 0.123E-02
DAV: 19 -0.904016471526E+02 -0.19266E-03 -0.53065E-05 652 0.383E-02 0.680E-03
DAV: 20 -0.904016785353E+02 -0.31383E-04 -0.52874E-06 504 0.154E-02 0.614E-03
DAV: 21 -0.904017331775E+02 -0.54642E-04 -0.11460E-05 417 0.180E-02 0.379E-03
DAV: 22 -0.904017409592E+02 -0.77818E-05 -0.46738E-06 488 0.133E-02
1 F= -.90401741E+02 E0= -.90408262E+02 d E =0.195624E-01