./iterations/neb0_image04_iter186_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 0.363521751086E+03 0.36352E+03 -0.14358E+04 640 0.799E+02
DAV: 2 0.124785487851E+01 -0.36227E+03 -0.34938E+03 858 0.193E+02
DAV: 3 -0.962611372107E+02 -0.97509E+02 -0.97216E+02 693 0.115E+02
DAV: 4 -0.100282215677E+03 -0.40211E+01 -0.40117E+01 696 0.265E+01
DAV: 5 -0.100357157369E+03 -0.74942E-01 -0.74913E-01 728 0.328E+00 0.224E+01
DAV: 6 -0.916401029536E+02 0.87171E+01 -0.31133E+01 682 0.298E+01 0.117E+01
DAV: 7 -0.907754062949E+02 0.86470E+00 -0.17898E+00 696 0.630E+00 0.483E+00
DAV: 8 -0.903653346306E+02 0.41007E+00 -0.56476E-01 712 0.423E+00 0.164E+00
DAV: 9 -0.902700338787E+02 0.95301E-01 -0.12867E-01 712 0.177E+00 0.452E-01
DAV: 10 -0.902613972859E+02 0.86366E-02 -0.33305E-02 717 0.930E-01 0.316E-01
DAV: 11 -0.902636827529E+02 -0.22855E-02 -0.69773E-03 680 0.452E-01 0.157E-01
DAV: 12 -0.902671097739E+02 -0.34270E-02 -0.25798E-03 637 0.340E-01 0.106E-01
DAV: 13 -0.902712889360E+02 -0.41792E-02 -0.16017E-03 612 0.230E-01 0.952E-02
DAV: 14 -0.902754492876E+02 -0.41604E-02 -0.19923E-03 639 0.248E-01 0.533E-02
DAV: 15 -0.902767023463E+02 -0.12531E-02 -0.24725E-04 696 0.991E-02 0.376E-02
DAV: 16 -0.902791017786E+02 -0.23994E-02 -0.66845E-04 686 0.152E-01 0.314E-02
DAV: 17 -0.902797188085E+02 -0.61703E-03 -0.83203E-05 680 0.626E-02 0.238E-02
DAV: 18 -0.902803318392E+02 -0.61303E-03 -0.14751E-04 711 0.659E-02 0.824E-03
DAV: 19 -0.902806025151E+02 -0.27068E-03 -0.35643E-05 605 0.283E-02 0.858E-03
DAV: 20 -0.902807247747E+02 -0.12226E-03 -0.11111E-05 439 0.161E-02 0.514E-03
DAV: 21 -0.902807721098E+02 -0.47335E-04 -0.18194E-05 517 0.245E-02 0.422E-03
DAV: 22 -0.902807878478E+02 -0.15738E-04 -0.28196E-06 458 0.118E-02 0.258E-03
DAV: 23 -0.902807899849E+02 -0.21372E-05 -0.15319E-06 504 0.655E-03
1 F= -.90280790E+02 E0= -.90289421E+02 d E =0.258945E-01