./iterations/neb0_image03_iter203_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 0.364211999301E+03 0.36421E+03 -0.14326E+04 632 0.799E+02
DAV: 2 -0.152088014597E-01 -0.36423E+03 -0.35422E+03 855 0.195E+02
DAV: 3 -0.960788796937E+02 -0.96064E+02 -0.95754E+02 669 0.115E+02
DAV: 4 -0.100291334143E+03 -0.42125E+01 -0.42008E+01 712 0.273E+01
DAV: 5 -0.100374702586E+03 -0.83368E-01 -0.83331E-01 736 0.344E+00 0.223E+01
DAV: 6 -0.917308520627E+02 0.86439E+01 -0.31013E+01 688 0.298E+01 0.117E+01
DAV: 7 -0.908856863358E+02 0.84517E+00 -0.18220E+00 704 0.635E+00 0.484E+00
DAV: 8 -0.904908353845E+02 0.39485E+00 -0.55974E-01 696 0.427E+00 0.169E+00
DAV: 9 -0.903950930872E+02 0.95742E-01 -0.12936E-01 720 0.178E+00 0.441E-01
DAV: 10 -0.903873098027E+02 0.77833E-02 -0.45409E-02 720 0.116E+00 0.338E-01
DAV: 11 -0.903912478491E+02 -0.39380E-02 -0.10212E-02 624 0.684E-01 0.131E-01
DAV: 12 -0.903935762885E+02 -0.23284E-02 -0.46211E-03 629 0.357E-01 0.116E-01
DAV: 13 -0.903981147674E+02 -0.45385E-02 -0.31096E-03 642 0.386E-01 0.860E-02
DAV: 14 -0.904013837449E+02 -0.32690E-02 -0.95402E-04 669 0.164E-01 0.540E-02
DAV: 15 -0.904037073966E+02 -0.23237E-02 -0.62035E-04 656 0.138E-01 0.229E-02
DAV: 16 -0.904053458240E+02 -0.16384E-02 -0.17342E-04 672 0.725E-02 0.210E-02
DAV: 17 -0.904058763028E+02 -0.53048E-03 -0.73623E-05 728 0.576E-02 0.126E-02
DAV: 18 -0.904064691418E+02 -0.59284E-03 -0.11754E-04 687 0.652E-02 0.125E-02
DAV: 19 -0.904065611587E+02 -0.92017E-04 -0.12105E-05 504 0.294E-02 0.804E-03
DAV: 20 -0.904066451303E+02 -0.83972E-04 -0.45534E-05 573 0.385E-02 0.816E-03
DAV: 21 -0.904067012521E+02 -0.56122E-04 -0.80078E-06 447 0.219E-02 0.386E-03
DAV: 22 -0.904067265292E+02 -0.25277E-04 -0.77668E-06 456 0.128E-02 0.125E-03
DAV: 23 -0.904067350074E+02 -0.84782E-05 -0.32970E-06 440 0.100E-02
1 F= -.90406735E+02 E0= -.90413760E+02 d E =0.210740E-01