./iterations/neb0_image08_iter104_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 0.375868270906E+03 0.37587E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.351370850285E+01 -0.37235E+03 -0.35930E+03 869 0.196E+02
DAV: 3 -0.967827163402E+02 -0.10030E+03 -0.99957E+02 688 0.117E+02
DAV: 4 -0.101155498618E+03 -0.43728E+01 -0.43627E+01 688 0.275E+01
DAV: 5 -0.101242482253E+03 -0.86984E-01 -0.86946E-01 736 0.347E+00 0.227E+01
DAV: 6 -0.926065092060E+02 0.86360E+01 -0.30781E+01 717 0.302E+01 0.119E+01
DAV: 7 -0.917389836526E+02 0.86753E+00 -0.17076E+00 728 0.616E+00 0.480E+00
DAV: 8 -0.913600757037E+02 0.37891E+00 -0.55698E-01 704 0.402E+00 0.162E+00
DAV: 9 -0.912775680211E+02 0.82508E-01 -0.13076E-01 712 0.157E+00 0.424E-01
DAV: 10 -0.912684779306E+02 0.90901E-02 -0.46236E-02 736 0.113E+00 0.306E-01
DAV: 11 -0.912730303939E+02 -0.45525E-02 -0.13273E-02 624 0.596E-01 0.149E-01
DAV: 12 -0.912759735266E+02 -0.29431E-02 -0.29295E-03 609 0.253E-01 0.117E-01
DAV: 13 -0.912795131827E+02 -0.35397E-02 -0.13679E-03 677 0.209E-01 0.480E-02
DAV: 14 -0.912827188721E+02 -0.32057E-02 -0.74104E-04 672 0.151E-01 0.375E-02
DAV: 15 -0.912844674610E+02 -0.17486E-02 -0.18807E-04 672 0.827E-02 0.414E-02
DAV: 16 -0.912858040606E+02 -0.13366E-02 -0.38578E-04 658 0.997E-02 0.183E-02
DAV: 17 -0.912862327675E+02 -0.42871E-03 -0.67705E-05 696 0.573E-02 0.147E-02
DAV: 18 -0.912864753430E+02 -0.24258E-03 -0.41503E-05 597 0.311E-02 0.117E-02
DAV: 19 -0.912865799409E+02 -0.10460E-03 -0.12765E-05 464 0.202E-02 0.541E-03
DAV: 20 -0.912866118473E+02 -0.31906E-04 -0.94913E-06 464 0.198E-02 0.177E-03
DAV: 21 -0.912866387730E+02 -0.26926E-04 -0.51270E-06 398 0.106E-02 0.306E-03
DAV: 22 -0.912866420132E+02 -0.32402E-05 -0.72182E-07 520 0.478E-03
1 F= -.91286642E+02 E0= -.91291510E+02 d E =0.146036E-01