iterations/neb0_image08_iter235_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 0.374503789884E+03 0.37450E+03 -0.14286E+04 624 0.799E+02
DAV: 2 0.367068328797E+01 -0.37083E+03 -0.35836E+03 869 0.196E+02
DAV: 3 -0.966973883692E+02 -0.10037E+03 -0.10005E+03 664 0.117E+02
DAV: 4 -0.101288388563E+03 -0.45910E+01 -0.45790E+01 720 0.289E+01
DAV: 5 -0.101378237266E+03 -0.89849E-01 -0.89799E-01 736 0.365E+00 0.228E+01
DAV: 6 -0.926688470014E+02 0.87094E+01 -0.30905E+01 714 0.300E+01 0.119E+01
DAV: 7 -0.917913664386E+02 0.87748E+00 -0.17373E+00 712 0.614E+00 0.480E+00
DAV: 8 -0.914141948726E+02 0.37717E+00 -0.55172E-01 720 0.398E+00 0.161E+00
DAV: 9 -0.913351335813E+02 0.79061E-01 -0.13064E-01 728 0.154E+00 0.419E-01
DAV: 10 -0.913272116429E+02 0.79219E-02 -0.44771E-02 736 0.108E+00 0.302E-01
DAV: 11 -0.913320572055E+02 -0.48456E-02 -0.13511E-02 616 0.602E-01 0.146E-01
DAV: 12 -0.913350987713E+02 -0.30416E-02 -0.28724E-03 631 0.223E-01 0.116E-01
DAV: 13 -0.913389701501E+02 -0.38714E-02 -0.29513E-03 671 0.288E-01 0.624E-02
DAV: 14 -0.913419792328E+02 -0.30091E-02 -0.84724E-04 664 0.158E-01 0.242E-02
DAV: 15 -0.913435277540E+02 -0.15485E-02 -0.15930E-04 664 0.592E-02 0.140E-02
DAV: 16 -0.913445808272E+02 -0.10531E-02 -0.13208E-04 652 0.537E-02 0.115E-02
DAV: 17 -0.913447900576E+02 -0.20923E-03 -0.13413E-05 496 0.212E-02 0.881E-03
DAV: 18 -0.913449650065E+02 -0.17495E-03 -0.33838E-05 530 0.303E-02 0.414E-03
DAV: 19 -0.913450037781E+02 -0.38772E-04 -0.35786E-06 520 0.124E-02 0.290E-03
DAV: 20 -0.913450313485E+02 -0.27570E-04 -0.60148E-06 409 0.141E-02 0.249E-03
DAV: 21 -0.913450401545E+02 -0.88059E-05 -0.15387E-06 461 0.696E-03
1 F= -.91345040E+02 E0= -.91350173E+02 d E =0.153975E-01