iterations/neb0_image05_iter179_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 0.369951901301E+03 0.36995E+03 -0.14303E+04 624 0.799E+02
DAV: 2 0.338562551982E+01 -0.36657E+03 -0.35394E+03 861 0.195E+02
DAV: 3 -0.953705239840E+02 -0.98756E+02 -0.98430E+02 661 0.116E+02
DAV: 4 -0.100013115316E+03 -0.46426E+01 -0.46317E+01 704 0.289E+01
DAV: 5 -0.100107279108E+03 -0.94164E-01 -0.94114E-01 728 0.365E+00 0.222E+01
DAV: 6 -0.915687081182E+02 0.85386E+01 -0.30605E+01 672 0.298E+01 0.117E+01
DAV: 7 -0.907748344925E+02 0.79387E+00 -0.18730E+00 736 0.640E+00 0.483E+00
DAV: 8 -0.904004991968E+02 0.37434E+00 -0.52727E-01 728 0.422E+00 0.170E+00
DAV: 9 -0.903103047338E+02 0.90194E-01 -0.13860E-01 720 0.167E+00 0.430E-01
DAV: 10 -0.903025977830E+02 0.77070E-02 -0.47730E-02 760 0.127E+00 0.323E-01
DAV: 11 -0.903059870830E+02 -0.33893E-02 -0.70015E-03 624 0.519E-01 0.136E-01
DAV: 12 -0.903087723199E+02 -0.27852E-02 -0.68032E-03 618 0.462E-01 0.130E-01
DAV: 13 -0.903113008199E+02 -0.25285E-02 -0.16474E-03 880 0.315E-01 0.751E-02
DAV: 14 -0.903146407066E+02 -0.33399E-02 -0.12930E-03 647 0.156E-01 0.513E-02
DAV: 15 -0.903174632922E+02 -0.28226E-02 -0.44036E-04 701 0.100E-01 0.447E-02
DAV: 16 -0.903189543401E+02 -0.14910E-02 -0.52725E-04 696 0.130E-01 0.240E-02
DAV: 17 -0.903196714813E+02 -0.71714E-03 -0.88541E-05 669 0.538E-02 0.252E-02
DAV: 18 -0.903200127328E+02 -0.34125E-03 -0.86760E-05 648 0.505E-02 0.105E-02
DAV: 19 -0.903201107885E+02 -0.98056E-04 -0.20744E-05 488 0.288E-02 0.489E-03
DAV: 20 -0.903201822363E+02 -0.71448E-04 -0.10863E-05 418 0.149E-02 0.435E-03
DAV: 21 -0.903202047449E+02 -0.22509E-04 -0.38205E-06 504 0.111E-02 0.213E-03
DAV: 22 -0.903202147735E+02 -0.10029E-04 -0.28517E-06 420 0.850E-03 0.153E-03
DAV: 23 -0.903202159135E+02 -0.11400E-05 -0.69533E-07 512 0.485E-03
1 F= -.90320216E+02 E0= -.90328094E+02 d E =0.236345E-01