./iterations/neb0_image03_iter233_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 0.363327836176E+03 0.36333E+03 -0.14325E+04 632 0.799E+02
DAV: 2 0.135125873474E+01 -0.36198E+03 -0.35076E+03 842 0.195E+02
DAV: 3 -0.959335758519E+02 -0.97285E+02 -0.96953E+02 672 0.115E+02
DAV: 4 -0.100298135410E+03 -0.43646E+01 -0.43530E+01 704 0.278E+01
DAV: 5 -0.100384236477E+03 -0.86101E-01 -0.86067E-01 736 0.350E+00 0.223E+01
DAV: 6 -0.917280214359E+02 0.86562E+01 -0.31191E+01 669 0.299E+01 0.117E+01
DAV: 7 -0.908803867407E+02 0.84763E+00 -0.17915E+00 720 0.634E+00 0.484E+00
DAV: 8 -0.904854357328E+02 0.39495E+00 -0.56924E-01 704 0.431E+00 0.168E+00
DAV: 9 -0.903942732616E+02 0.91162E-01 -0.13066E-01 712 0.167E+00 0.438E-01
DAV: 10 -0.903873698036E+02 0.69035E-02 -0.48529E-02 720 0.121E+00 0.338E-01
DAV: 11 -0.903918067134E+02 -0.44369E-02 -0.89136E-03 624 0.649E-01 0.119E-01
DAV: 12 -0.903947686327E+02 -0.29619E-02 -0.50642E-03 618 0.328E-01 0.119E-01
DAV: 13 -0.903990438848E+02 -0.42753E-02 -0.19020E-03 837 0.318E-01 0.886E-02
DAV: 14 -0.904019788298E+02 -0.29349E-02 -0.10470E-03 672 0.149E-01 0.565E-02
DAV: 15 -0.904042640882E+02 -0.22853E-02 -0.42356E-04 669 0.108E-01 0.261E-02
DAV: 16 -0.904056595843E+02 -0.13955E-02 -0.23983E-04 672 0.753E-02 0.214E-02
DAV: 17 -0.904064674015E+02 -0.80782E-03 -0.12190E-04 717 0.633E-02 0.968E-03
DAV: 18 -0.904067603055E+02 -0.29290E-03 -0.49973E-05 608 0.358E-02 0.102E-02
DAV: 19 -0.904068164688E+02 -0.56163E-04 -0.68981E-06 520 0.185E-02 0.502E-03
DAV: 20 -0.904068927753E+02 -0.76306E-04 -0.23341E-05 530 0.262E-02 0.611E-03
DAV: 21 -0.904069213413E+02 -0.28566E-04 -0.44334E-06 477 0.138E-02 0.334E-03
DAV: 22 -0.904069267170E+02 -0.53757E-05 -0.21113E-06 536 0.749E-03
1 F= -.90406927E+02 E0= -.90414273E+02 d E =0.220382E-01