./iterations/neb0_image08_iter74_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 0.376730708232E+03 0.37673E+03 -0.14285E+04 624 0.799E+02
DAV: 2 0.386309697956E+01 -0.37287E+03 -0.35931E+03 869 0.196E+02
DAV: 3 -0.968486152459E+02 -0.10071E+03 -0.10038E+03 696 0.117E+02
DAV: 4 -0.101148116559E+03 -0.42995E+01 -0.42897E+01 696 0.272E+01
DAV: 5 -0.101232059980E+03 -0.83943E-01 -0.83907E-01 736 0.340E+00 0.228E+01
DAV: 6 -0.925805828165E+02 0.86515E+01 -0.30821E+01 701 0.302E+01 0.119E+01
DAV: 7 -0.917075924869E+02 0.87299E+00 -0.17009E+00 728 0.615E+00 0.481E+00
DAV: 8 -0.913268597864E+02 0.38073E+00 -0.55460E-01 704 0.402E+00 0.163E+00
DAV: 9 -0.912429625602E+02 0.83897E-01 -0.13072E-01 712 0.155E+00 0.426E-01
DAV: 10 -0.912335325603E+02 0.94300E-02 -0.48269E-02 736 0.114E+00 0.311E-01
DAV: 11 -0.912383378079E+02 -0.48052E-02 -0.14929E-02 616 0.634E-01 0.161E-01
DAV: 12 -0.912411919276E+02 -0.28541E-02 -0.32157E-03 626 0.248E-01 0.132E-01
DAV: 13 -0.912451187506E+02 -0.39268E-02 -0.23626E-03 677 0.276E-01 0.490E-02
DAV: 14 -0.912482250064E+02 -0.31063E-02 -0.51392E-04 664 0.117E-01 0.370E-02
DAV: 15 -0.912503198796E+02 -0.20949E-02 -0.17951E-04 653 0.603E-02 0.348E-02
DAV: 16 -0.912513854548E+02 -0.10656E-02 -0.33939E-04 650 0.910E-02 0.214E-02
DAV: 17 -0.912516668822E+02 -0.28143E-03 -0.37472E-05 616 0.412E-02 0.140E-02
DAV: 18 -0.912519311821E+02 -0.26430E-03 -0.60217E-05 620 0.355E-02 0.918E-03
DAV: 19 -0.912519603143E+02 -0.29132E-04 -0.66639E-06 520 0.219E-02 0.417E-03
DAV: 20 -0.912519984865E+02 -0.38172E-04 -0.15008E-05 398 0.232E-02 0.541E-03
DAV: 21 -0.912520168763E+02 -0.18390E-04 -0.28230E-06 472 0.980E-03 0.410E-03
DAV: 22 -0.912520219205E+02 -0.50442E-05 -0.36012E-06 426 0.127E-02
1 F= -.91252022E+02 E0= -.91257099E+02 d E =0.152316E-01