iterations/neb0_image02_iter99_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 0.367740630573E+03 0.36774E+03 -0.14293E+04 624 0.799E+02
DAV: 2 0.466209253956E+01 -0.36308E+03 -0.34836E+03 834 0.195E+02
DAV: 3 -0.954682990762E+02 -0.10013E+03 -0.99797E+02 672 0.116E+02
DAV: 4 -0.100152588435E+03 -0.46843E+01 -0.46735E+01 704 0.287E+01
DAV: 5 -0.100245604075E+03 -0.93016E-01 -0.92972E-01 728 0.361E+00 0.222E+01
DAV: 6 -0.916589048205E+02 0.85867E+01 -0.30829E+01 688 0.298E+01 0.117E+01
DAV: 7 -0.908364977113E+02 0.82241E+00 -0.18191E+00 704 0.634E+00 0.483E+00
DAV: 8 -0.904507707755E+02 0.38573E+00 -0.56050E-01 696 0.428E+00 0.168E+00
DAV: 9 -0.903618008459E+02 0.88970E-01 -0.13885E-01 704 0.166E+00 0.435E-01
DAV: 10 -0.903554623438E+02 0.63385E-02 -0.46490E-02 704 0.128E+00 0.321E-01
DAV: 11 -0.903590423968E+02 -0.35801E-02 -0.70704E-03 616 0.480E-01 0.152E-01
DAV: 12 -0.903623257235E+02 -0.32833E-02 -0.70168E-03 616 0.469E-01 0.127E-01
DAV: 13 -0.903652976627E+02 -0.29719E-02 -0.13567E-03 968 0.315E-01 0.813E-02
DAV: 14 -0.903682845725E+02 -0.29869E-02 -0.13338E-03 634 0.171E-01 0.546E-02
DAV: 15 -0.903707167397E+02 -0.24322E-02 -0.43663E-04 680 0.120E-01 0.408E-02
DAV: 16 -0.903719846680E+02 -0.12679E-02 -0.50954E-04 656 0.124E-01 0.298E-02
DAV: 17 -0.903728792499E+02 -0.89458E-03 -0.16826E-04 842 0.848E-02 0.170E-02
DAV: 18 -0.903730256556E+02 -0.14641E-03 -0.28901E-05 648 0.290E-02 0.108E-02
DAV: 19 -0.903732621712E+02 -0.23652E-03 -0.45856E-05 625 0.330E-02 0.467E-03
DAV: 20 -0.903732884103E+02 -0.26239E-04 -0.24800E-06 504 0.974E-03 0.452E-03
DAV: 21 -0.903733346670E+02 -0.46257E-04 -0.65234E-06 417 0.152E-02 0.307E-03
DAV: 22 -0.903733511945E+02 -0.16527E-04 -0.34723E-06 477 0.930E-03 0.234E-03
DAV: 23 -0.903733548121E+02 -0.36176E-05 -0.13696E-06 480 0.689E-03
1 F= -.90373355E+02 E0= -.90379185E+02 d E =0.174913E-01