./iterations/neb0_image05_iter181_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 0.369865884245E+03 0.36987E+03 -0.14302E+04 624 0.799E+02
DAV: 2 0.336444825867E+01 -0.36650E+03 -0.35386E+03 861 0.195E+02
DAV: 3 -0.953784809150E+02 -0.98743E+02 -0.98416E+02 661 0.116E+02
DAV: 4 -0.100020572948E+03 -0.46421E+01 -0.46311E+01 704 0.289E+01
DAV: 5 -0.100114792182E+03 -0.94219E-01 -0.94168E-01 728 0.365E+00 0.222E+01
DAV: 6 -0.915719721522E+02 0.85428E+01 -0.30700E+01 672 0.299E+01 0.117E+01
DAV: 7 -0.907787895602E+02 0.79318E+00 -0.18779E+00 736 0.640E+00 0.483E+00
DAV: 8 -0.904036717586E+02 0.37512E+00 -0.53273E-01 728 0.424E+00 0.170E+00
DAV: 9 -0.903133013436E+02 0.90370E-01 -0.13750E-01 720 0.167E+00 0.428E-01
DAV: 10 -0.903053829787E+02 0.79184E-02 -0.47923E-02 744 0.124E+00 0.322E-01
DAV: 11 -0.903091593115E+02 -0.37763E-02 -0.76822E-03 624 0.542E-01 0.127E-01
DAV: 12 -0.903117489601E+02 -0.25896E-02 -0.59746E-03 610 0.422E-01 0.126E-01
DAV: 13 -0.903142652717E+02 -0.25163E-02 -0.15308E-03 888 0.302E-01 0.741E-02
DAV: 14 -0.903177589699E+02 -0.34937E-02 -0.12855E-03 644 0.156E-01 0.520E-02
DAV: 15 -0.903202642915E+02 -0.25053E-02 -0.34844E-04 712 0.977E-02 0.405E-02
DAV: 16 -0.903218781634E+02 -0.16139E-02 -0.55201E-04 685 0.131E-01 0.283E-02
DAV: 17 -0.903225799049E+02 -0.70174E-03 -0.92920E-05 672 0.615E-02 0.270E-02
DAV: 18 -0.903228395158E+02 -0.25961E-03 -0.97840E-05 688 0.559E-02 0.124E-02
DAV: 19 -0.903229698665E+02 -0.13035E-03 -0.24095E-05 496 0.325E-02 0.464E-03
DAV: 20 -0.903230551738E+02 -0.85307E-04 -0.10949E-05 453 0.148E-02 0.411E-03
DAV: 21 -0.903230847285E+02 -0.29555E-04 -0.41548E-06 464 0.968E-03 0.244E-03
DAV: 22 -0.903230970965E+02 -0.12368E-04 -0.28812E-06 442 0.767E-03 0.112E-03
DAV: 23 -0.903230981148E+02 -0.10183E-05 -0.59325E-07 520 0.438E-03
1 F= -.90323098E+02 E0= -.90330947E+02 d E =0.235461E-01