./iterations/neb0_image07_iter56_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 0.377067696503E+03 0.37707E+03 -0.14275E+04 624 0.799E+02
DAV: 2 0.433286446874E+01 -0.37273E+03 -0.35949E+03 869 0.196E+02
DAV: 3 -0.962250583541E+02 -0.10056E+03 -0.10022E+03 672 0.117E+02
DAV: 4 -0.100718428105E+03 -0.44934E+01 -0.44829E+01 704 0.285E+01
DAV: 5 -0.100807460444E+03 -0.89032E-01 -0.88991E-01 720 0.360E+00 0.226E+01
DAV: 6 -0.922529818928E+02 0.85545E+01 -0.30618E+01 693 0.302E+01 0.118E+01
DAV: 7 -0.913985437881E+02 0.85444E+00 -0.16476E+00 728 0.614E+00 0.481E+00
DAV: 8 -0.910184268507E+02 0.38012E+00 -0.55612E-01 704 0.409E+00 0.162E+00
DAV: 9 -0.909339872296E+02 0.84440E-01 -0.13131E-01 712 0.156E+00 0.426E-01
DAV: 10 -0.909241429345E+02 0.98443E-02 -0.47890E-02 736 0.113E+00 0.311E-01
DAV: 11 -0.909282832964E+02 -0.41404E-02 -0.11100E-02 616 0.557E-01 0.130E-01
DAV: 12 -0.909315476210E+02 -0.32643E-02 -0.38166E-03 605 0.311E-01 0.134E-01
DAV: 13 -0.909348945685E+02 -0.33469E-02 -0.13797E-03 725 0.250E-01 0.604E-02
DAV: 14 -0.909377143625E+02 -0.28198E-02 -0.97311E-04 672 0.143E-01 0.504E-02
DAV: 15 -0.909404921786E+02 -0.27778E-02 -0.30835E-04 642 0.924E-02 0.372E-02
DAV: 16 -0.909416643031E+02 -0.11721E-02 -0.35129E-04 677 0.955E-02 0.234E-02
DAV: 17 -0.909423125838E+02 -0.64828E-03 -0.10604E-04 709 0.650E-02 0.154E-02
DAV: 18 -0.909424878389E+02 -0.17526E-03 -0.38756E-05 688 0.311E-02 0.121E-02
DAV: 19 -0.909425666356E+02 -0.78797E-04 -0.13595E-05 437 0.262E-02 0.499E-03
DAV: 20 -0.909425963302E+02 -0.29695E-04 -0.10889E-05 504 0.190E-02 0.300E-03
DAV: 21 -0.909426268536E+02 -0.30523E-04 -0.37937E-06 404 0.918E-03 0.229E-03
DAV: 22 -0.909426382314E+02 -0.11378E-04 -0.15648E-06 477 0.553E-03 0.166E-03
DAV: 23 -0.909426424742E+02 -0.42427E-05 -0.15306E-06 422 0.797E-03
1 F= -.90942642E+02 E0= -.90947858E+02 d E =0.156472E-01