./iterations/neb0_image03_iter163_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 0.364757133355E+03 0.36476E+03 -0.14323E+04 632 0.799E+02
DAV: 2 0.248203528613E+00 -0.36451E+03 -0.35415E+03 869 0.195E+02
DAV: 3 -0.961587619877E+02 -0.96407E+02 -0.96109E+02 677 0.115E+02
DAV: 4 -0.100243996149E+03 -0.40852E+01 -0.40752E+01 704 0.270E+01
DAV: 5 -0.100323931108E+03 -0.79935E-01 -0.79898E-01 736 0.339E+00 0.222E+01
DAV: 6 -0.917025584000E+02 0.86214E+01 -0.30915E+01 680 0.298E+01 0.117E+01
DAV: 7 -0.908639401674E+02 0.83862E+00 -0.18220E+00 704 0.633E+00 0.483E+00
DAV: 8 -0.904673807089E+02 0.39656E+00 -0.54630E-01 704 0.425E+00 0.168E+00
DAV: 9 -0.903713192286E+02 0.96061E-01 -0.13799E-01 712 0.174E+00 0.433E-01
DAV: 10 -0.903633359704E+02 0.79833E-02 -0.44483E-02 712 0.111E+00 0.328E-01
DAV: 11 -0.903685232761E+02 -0.51873E-02 -0.11426E-02 610 0.688E-01 0.156E-01
DAV: 12 -0.903702042474E+02 -0.16810E-02 -0.31299E-03 656 0.289E-01 0.136E-01
DAV: 13 -0.903735397052E+02 -0.33355E-02 -0.28308E-03 632 0.338E-01 0.689E-02
DAV: 14 -0.903777608573E+02 -0.42212E-02 -0.11562E-03 661 0.170E-01 0.602E-02
DAV: 15 -0.903796908175E+02 -0.19300E-02 -0.32791E-04 792 0.132E-01 0.299E-02
DAV: 16 -0.903815022760E+02 -0.18115E-02 -0.48812E-04 669 0.126E-01 0.324E-02
DAV: 17 -0.903821545656E+02 -0.65229E-03 -0.10861E-04 728 0.862E-02 0.145E-02
DAV: 18 -0.903826365869E+02 -0.48202E-03 -0.88104E-05 658 0.451E-02 0.952E-03
DAV: 19 -0.903828672526E+02 -0.23067E-03 -0.26862E-05 533 0.258E-02 0.455E-03
DAV: 20 -0.903829811721E+02 -0.11392E-03 -0.11736E-05 448 0.148E-02 0.267E-03
DAV: 21 -0.903830343627E+02 -0.53191E-04 -0.90473E-06 485 0.110E-02 0.143E-03
DAV: 22 -0.903830449934E+02 -0.10631E-04 -0.16465E-06 496 0.542E-03 0.115E-03
DAV: 23 -0.903830470351E+02 -0.20417E-05 -0.54790E-07 456 0.367E-03
1 F= -.90383047E+02 E0= -.90391892E+02 d E =0.265344E-01