./neb0_image10_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 0.374086001569E+03 0.37409E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.336452611291E+01 -0.37072E+03 -0.35740E+03 872 0.196E+02
DAV: 3 -0.966424187064E+02 -0.10001E+03 -0.99675E+02 656 0.117E+02
DAV: 4 -0.101278028611E+03 -0.46356E+01 -0.46255E+01 720 0.291E+01
DAV: 5 -0.101369082481E+03 -0.91054E-01 -0.91015E-01 728 0.370E+00 0.227E+01
DAV: 6 -0.926935043466E+02 0.86756E+01 -0.30999E+01 720 0.300E+01 0.119E+01
DAV: 7 -0.918220770996E+02 0.87143E+00 -0.16959E+00 728 0.612E+00 0.479E+00
DAV: 8 -0.914456523374E+02 0.37642E+00 -0.53792E-01 712 0.392E+00 0.163E+00
DAV: 9 -0.913642310898E+02 0.81421E-01 -0.13244E-01 704 0.155E+00 0.423E-01
DAV: 10 -0.913560535602E+02 0.81775E-02 -0.43367E-02 784 0.108E+00 0.298E-01
DAV: 11 -0.913603418690E+02 -0.42883E-02 -0.11308E-02 624 0.556E-01 0.128E-01
DAV: 12 -0.913635998934E+02 -0.32580E-02 -0.28253E-03 617 0.242E-01 0.106E-01
DAV: 13 -0.913672884227E+02 -0.36885E-02 -0.11589E-03 693 0.186E-01 0.428E-02
DAV: 14 -0.913705940279E+02 -0.33056E-02 -0.69298E-04 653 0.141E-01 0.375E-02
DAV: 15 -0.913718776971E+02 -0.12837E-02 -0.12214E-04 752 0.778E-02 0.312E-02
DAV: 16 -0.913733384265E+02 -0.14607E-02 -0.32576E-04 639 0.876E-02 0.182E-02
DAV: 17 -0.913737096466E+02 -0.37122E-03 -0.52020E-05 672 0.501E-02 0.127E-02
DAV: 18 -0.913739677110E+02 -0.25806E-03 -0.46316E-05 578 0.300E-02 0.826E-03
DAV: 19 -0.913740046072E+02 -0.36896E-04 -0.56891E-06 520 0.131E-02 0.433E-03
DAV: 20 -0.913740333447E+02 -0.28737E-04 -0.45210E-06 407 0.131E-02 0.165E-03
DAV: 21 -0.913740500394E+02 -0.16695E-04 -0.27907E-06 464 0.795E-03 0.195E-03
DAV: 22 -0.913740536912E+02 -0.36518E-05 -0.60834E-07 466 0.395E-03
1 F= -.91374054E+02 E0= -.91378643E+02 d E =0.137673E-01