iterations/neb0_image07_iter249_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 0.371899000995E+03 0.37190E+03 -0.14326E+04 632 0.799E+02
DAV: 2 0.390690202182E+01 -0.36799E+03 -0.35619E+03 866 0.194E+02
DAV: 3 -0.965661242913E+02 -0.10047E+03 -0.10014E+03 685 0.116E+02
DAV: 4 -0.101175882467E+03 -0.46098E+01 -0.45981E+01 696 0.284E+01
DAV: 5 -0.101267409835E+03 -0.91527E-01 -0.91475E-01 736 0.361E+00 0.227E+01
DAV: 6 -0.926109198169E+02 0.86565E+01 -0.30850E+01 717 0.300E+01 0.119E+01
DAV: 7 -0.917537362056E+02 0.85718E+00 -0.17225E+00 736 0.616E+00 0.480E+00
DAV: 8 -0.913789972693E+02 0.37474E+00 -0.53856E-01 736 0.394E+00 0.162E+00
DAV: 9 -0.912967723147E+02 0.82225E-01 -0.13075E-01 712 0.155E+00 0.421E-01
DAV: 10 -0.912876563686E+02 0.91159E-02 -0.41965E-02 749 0.105E+00 0.293E-01
DAV: 11 -0.912921109891E+02 -0.44546E-02 -0.12361E-02 608 0.572E-01 0.144E-01
DAV: 12 -0.912952553268E+02 -0.31443E-02 -0.27782E-03 615 0.270E-01 0.919E-02
DAV: 13 -0.912987687838E+02 -0.35135E-02 -0.12697E-03 642 0.172E-01 0.522E-02
DAV: 14 -0.913026647334E+02 -0.38959E-02 -0.12374E-03 751 0.256E-01 0.542E-02
DAV: 15 -0.913035336337E+02 -0.86890E-03 -0.37060E-04 704 0.124E-01 0.403E-02
DAV: 16 -0.913044767988E+02 -0.94317E-03 -0.24143E-04 706 0.873E-02 0.131E-02
DAV: 17 -0.913053874682E+02 -0.91067E-03 -0.12980E-04 722 0.575E-02 0.159E-02
DAV: 18 -0.913056450220E+02 -0.25755E-03 -0.23214E-05 560 0.318E-02 0.853E-03
DAV: 19 -0.913057754642E+02 -0.13044E-03 -0.33012E-05 634 0.287E-02 0.527E-03
DAV: 20 -0.913057941884E+02 -0.18724E-04 -0.18653E-06 520 0.117E-02 0.264E-03
DAV: 21 -0.913058192364E+02 -0.25048E-04 -0.34367E-06 409 0.890E-03 0.865E-04
DAV: 22 -0.913058276303E+02 -0.83938E-05 -0.10871E-06 464 0.392E-03
1 F= -.91305828E+02 E0= -.91310363E+02 d E =0.136056E-01