iterations/neb0_image05_iter85_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 0.373177551235E+03 0.37318E+03 -0.14306E+04 632 0.799E+02
DAV: 2 0.341962066751E+01 -0.36976E+03 -0.35744E+03 885 0.194E+02
DAV: 3 -0.941158635217E+02 -0.97535E+02 -0.97191E+02 637 0.116E+02
DAV: 4 -0.986796565784E+02 -0.45638E+01 -0.45526E+01 704 0.296E+01
DAV: 5 -0.987789423147E+02 -0.99286E-01 -0.99243E-01 728 0.386E+00 0.218E+01
DAV: 6 -0.904957433717E+02 0.82832E+01 -0.28670E+01 701 0.289E+01 0.112E+01
DAV: 7 -0.896299750554E+02 0.86577E+00 -0.18021E+00 720 0.680E+00 0.468E+00
DAV: 8 -0.892412376241E+02 0.38874E+00 -0.62255E-01 712 0.449E+00 0.155E+00
DAV: 9 -0.891579784838E+02 0.83259E-01 -0.12310E-01 728 0.164E+00 0.446E-01
DAV: 10 -0.891459059381E+02 0.12073E-01 -0.48762E-02 720 0.120E+00 0.336E-01
DAV: 11 -0.891472531855E+02 -0.13472E-02 -0.97736E-03 637 0.567E-01 0.118E-01
DAV: 12 -0.891495623273E+02 -0.23091E-02 -0.35081E-03 680 0.318E-01 0.122E-01
DAV: 13 -0.891550973568E+02 -0.55350E-02 -0.18424E-03 834 0.306E-01 0.650E-02
DAV: 14 -0.891577066086E+02 -0.26093E-02 -0.78785E-04 666 0.131E-01 0.461E-02
DAV: 15 -0.891606886038E+02 -0.29820E-02 -0.64086E-04 749 0.144E-01 0.317E-02
DAV: 16 -0.891617605845E+02 -0.10720E-02 -0.10441E-04 696 0.542E-02 0.228E-02
DAV: 17 -0.891628219808E+02 -0.10614E-02 -0.17156E-04 652 0.662E-02 0.104E-02
DAV: 18 -0.891632634119E+02 -0.44143E-03 -0.48507E-05 597 0.348E-02 0.772E-03
DAV: 19 -0.891633571335E+02 -0.93722E-04 -0.10648E-05 504 0.211E-02 0.406E-03
DAV: 20 -0.891634520305E+02 -0.94897E-04 -0.19309E-05 484 0.230E-02 0.585E-03
DAV: 21 -0.891634761001E+02 -0.24070E-04 -0.35519E-06 472 0.117E-02 0.372E-03
DAV: 22 -0.891634830579E+02 -0.69578E-05 -0.36860E-06 461 0.108E-02
1 F= -.89163483E+02 E0= -.89167493E+02 d E =0.120287E-01