./iterations/neb0_image01_iter27_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 0.365957573060E+03 0.36596E+03 -0.14295E+04 624 0.799E+02
DAV: 2 0.301456417423E+01 -0.36294E+03 -0.34971E+03 847 0.195E+02
DAV: 3 -0.956158929718E+02 -0.98630E+02 -0.98284E+02 672 0.116E+02
DAV: 4 -0.100159071841E+03 -0.45432E+01 -0.45330E+01 685 0.286E+01
DAV: 5 -0.100249726321E+03 -0.90654E-01 -0.90598E-01 736 0.360E+00 0.222E+01
DAV: 6 -0.916217231637E+02 0.86280E+01 -0.31198E+01 709 0.299E+01 0.116E+01
DAV: 7 -0.908138998534E+02 0.80782E+00 -0.18286E+00 720 0.635E+00 0.483E+00
DAV: 8 -0.904326505417E+02 0.38125E+00 -0.56174E-01 704 0.431E+00 0.169E+00
DAV: 9 -0.903458434252E+02 0.86807E-01 -0.13873E-01 712 0.166E+00 0.432E-01
DAV: 10 -0.903400030022E+02 0.58404E-02 -0.44687E-02 736 0.125E+00 0.315E-01
DAV: 11 -0.903437059552E+02 -0.37030E-02 -0.64525E-03 616 0.467E-01 0.148E-01
DAV: 12 -0.903472140445E+02 -0.35081E-02 -0.71021E-03 610 0.489E-01 0.128E-01
DAV: 13 -0.903499221215E+02 -0.27081E-02 -0.14141E-03 848 0.308E-01 0.755E-02
DAV: 14 -0.903529079027E+02 -0.29858E-02 -0.14078E-03 634 0.178E-01 0.568E-02
DAV: 15 -0.903549603526E+02 -0.20524E-02 -0.31348E-04 688 0.108E-01 0.412E-02
DAV: 16 -0.903564505787E+02 -0.14902E-02 -0.69986E-04 645 0.154E-01 0.357E-02
DAV: 17 -0.903571984938E+02 -0.74792E-03 -0.13909E-04 784 0.860E-02 0.209E-02
DAV: 18 -0.903574474827E+02 -0.24899E-03 -0.51589E-05 672 0.368E-02 0.111E-02
DAV: 19 -0.903576484344E+02 -0.20095E-03 -0.45480E-05 626 0.366E-02 0.604E-03
DAV: 20 -0.903576753625E+02 -0.26928E-04 -0.45412E-06 512 0.130E-02 0.634E-03
DAV: 21 -0.903577286556E+02 -0.53293E-04 -0.91350E-06 409 0.177E-02 0.289E-03
DAV: 22 -0.903577381601E+02 -0.95045E-05 -0.57378E-06 480 0.131E-02
1 F= -.90357738E+02 E0= -.90363005E+02 d E =0.158009E-01