./iterations/neb0_image06_iter153_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 0.372014881799E+03 0.37201E+03 -0.14349E+04 640 0.799E+02
DAV: 2 0.377944424543E+01 -0.36824E+03 -0.35642E+03 874 0.193E+02
DAV: 3 -0.960366676046E+02 -0.99816E+02 -0.99491E+02 690 0.116E+02
DAV: 4 -0.100484798510E+03 -0.44481E+01 -0.44365E+01 712 0.276E+01
DAV: 5 -0.100571215002E+03 -0.86416E-01 -0.86372E-01 736 0.346E+00 0.227E+01
DAV: 6 -0.919547967019E+02 0.86164E+01 -0.30711E+01 701 0.304E+01 0.119E+01
DAV: 7 -0.911235686973E+02 0.83123E+00 -0.17592E+00 720 0.631E+00 0.481E+00
DAV: 8 -0.907464814713E+02 0.37709E+00 -0.53758E-01 712 0.407E+00 0.169E+00
DAV: 9 -0.906554596134E+02 0.91022E-01 -0.13316E-01 728 0.163E+00 0.425E-01
DAV: 10 -0.906457131757E+02 0.97464E-02 -0.34895E-02 744 0.946E-01 0.280E-01
DAV: 11 -0.906496112323E+02 -0.38981E-02 -0.85105E-03 610 0.486E-01 0.137E-01
DAV: 12 -0.906522205013E+02 -0.26093E-02 -0.18478E-03 645 0.256E-01 0.865E-02
DAV: 13 -0.906564266465E+02 -0.42061E-02 -0.17552E-03 603 0.208E-01 0.702E-02
DAV: 14 -0.906587356444E+02 -0.23090E-02 -0.55430E-04 824 0.162E-01 0.270E-02
DAV: 15 -0.906614365604E+02 -0.27009E-02 -0.36285E-04 628 0.910E-02 0.318E-02
DAV: 16 -0.906629549718E+02 -0.15184E-02 -0.16681E-04 736 0.735E-02 0.165E-02
DAV: 17 -0.906637273692E+02 -0.77240E-03 -0.14208E-04 650 0.576E-02 0.149E-02
DAV: 18 -0.906639231729E+02 -0.19580E-03 -0.27899E-05 560 0.372E-02 0.621E-03
DAV: 19 -0.906640483093E+02 -0.12514E-03 -0.25691E-05 454 0.263E-02 0.587E-03
DAV: 20 -0.906640718586E+02 -0.23549E-04 -0.35456E-06 504 0.144E-02 0.327E-03
DAV: 21 -0.906640909291E+02 -0.19070E-04 -0.81385E-06 406 0.173E-02 0.295E-03
DAV: 22 -0.906640981591E+02 -0.72301E-05 -0.19039E-06 453 0.119E-02
1 F= -.90664098E+02 E0= -.90669816E+02 d E =0.171540E-01