./iterations/neb0_image06_iter134_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 0.374845950929E+03 0.37485E+03 -0.14308E+04 632 0.799E+02
DAV: 2 0.384081771167E+01 -0.37101E+03 -0.35908E+03 882 0.194E+02
DAV: 3 -0.956066742313E+02 -0.99447E+02 -0.99130E+02 661 0.116E+02
DAV: 4 -0.100298302365E+03 -0.46916E+01 -0.46769E+01 720 0.286E+01
DAV: 5 -0.100395030984E+03 -0.96729E-01 -0.96680E-01 744 0.364E+00 0.225E+01
DAV: 6 -0.918631534507E+02 0.85319E+01 -0.30761E+01 712 0.304E+01 0.118E+01
DAV: 7 -0.910545571646E+02 0.80860E+00 -0.17072E+00 720 0.628E+00 0.481E+00
DAV: 8 -0.906779373473E+02 0.37662E+00 -0.52651E-01 720 0.404E+00 0.168E+00
DAV: 9 -0.905866006507E+02 0.91337E-01 -0.13299E-01 728 0.160E+00 0.419E-01
DAV: 10 -0.905766838088E+02 0.99168E-02 -0.39497E-02 752 0.101E+00 0.288E-01
DAV: 11 -0.905808666005E+02 -0.41828E-02 -0.97620E-03 605 0.524E-01 0.147E-01
DAV: 12 -0.905832798107E+02 -0.24132E-02 -0.19359E-03 639 0.245E-01 0.947E-02
DAV: 13 -0.905877182200E+02 -0.44384E-02 -0.17730E-03 652 0.219E-01 0.560E-02
DAV: 14 -0.905902849193E+02 -0.25667E-02 -0.51475E-04 888 0.169E-01 0.323E-02
DAV: 15 -0.905927492178E+02 -0.24643E-02 -0.39583E-04 621 0.952E-02 0.311E-02
DAV: 16 -0.905937695477E+02 -0.10203E-02 -0.13395E-04 797 0.710E-02 0.156E-02
DAV: 17 -0.905946670061E+02 -0.89746E-03 -0.11862E-04 634 0.518E-02 0.121E-02
DAV: 18 -0.905949134934E+02 -0.24649E-03 -0.14892E-05 512 0.220E-02 0.761E-03
DAV: 19 -0.905951072042E+02 -0.19371E-03 -0.41712E-05 543 0.293E-02 0.567E-03
DAV: 20 -0.905951248723E+02 -0.17668E-04 -0.29564E-06 536 0.155E-02 0.259E-03
DAV: 21 -0.905951488722E+02 -0.24000E-04 -0.10036E-05 404 0.192E-02 0.429E-03
DAV: 22 -0.905951578612E+02 -0.89890E-05 -0.18788E-06 442 0.116E-02
1 F= -.90595158E+02 E0= -.90599192E+02 d E =0.121026E-01