./iterations/neb0_image02_iter8_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 0.364533757370E+03 0.36453E+03 -0.14262E+04 624 0.799E+02
DAV: 2 0.364557479264E+01 -0.36089E+03 -0.34786E+03 847 0.194E+02
DAV: 3 -0.947811069188E+02 -0.98427E+02 -0.98085E+02 680 0.116E+02
DAV: 4 -0.992969082620E+02 -0.45158E+01 -0.44943E+01 696 0.278E+01
DAV: 5 -0.993880036699E+02 -0.91095E-01 -0.91037E-01 736 0.352E+00 0.222E+01
DAV: 6 -0.906993550210E+02 0.86886E+01 -0.31132E+01 720 0.300E+01 0.115E+01
DAV: 7 -0.898792614265E+02 0.82009E+00 -0.18003E+00 712 0.664E+00 0.487E+00
DAV: 8 -0.894899766568E+02 0.38928E+00 -0.64671E-01 712 0.466E+00 0.167E+00
DAV: 9 -0.894062325257E+02 0.83744E-01 -0.13210E-01 728 0.167E+00 0.447E-01
DAV: 10 -0.893994938202E+02 0.67387E-02 -0.37652E-02 712 0.104E+00 0.313E-01
DAV: 11 -0.894034381097E+02 -0.39443E-02 -0.77065E-03 688 0.555E-01 0.117E-01
DAV: 12 -0.894059762332E+02 -0.25381E-02 -0.29568E-03 632 0.270E-01 0.104E-01
DAV: 13 -0.894098639634E+02 -0.38877E-02 -0.18900E-03 745 0.307E-01 0.756E-02
DAV: 14 -0.894124101287E+02 -0.25462E-02 -0.72524E-04 672 0.134E-01 0.434E-02
DAV: 15 -0.894149853349E+02 -0.25752E-02 -0.79911E-04 725 0.166E-01 0.395E-02
DAV: 16 -0.894156774959E+02 -0.69216E-03 -0.15763E-04 952 0.102E-01 0.194E-02
DAV: 17 -0.894163398917E+02 -0.66240E-03 -0.14715E-04 663 0.742E-02 0.161E-02
DAV: 18 -0.894168817422E+02 -0.54185E-03 -0.78823E-05 666 0.478E-02 0.114E-02
DAV: 19 -0.894170182729E+02 -0.13653E-03 -0.26308E-05 616 0.336E-02 0.768E-03
DAV: 20 -0.894171455500E+02 -0.12728E-03 -0.25589E-05 482 0.306E-02 0.515E-03
DAV: 21 -0.894171768684E+02 -0.31318E-04 -0.53206E-06 512 0.131E-02 0.475E-03
DAV: 22 -0.894171989656E+02 -0.22097E-04 -0.52758E-06 415 0.140E-02 0.177E-03
DAV: 23 -0.894172044949E+02 -0.55293E-05 -0.16796E-06 504 0.762E-03
1 F= -.89417204E+02 E0= -.89424856E+02 d E =0.229538E-01