iterations/neb0_image04_iter162_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 0.364141015088E+03 0.36414E+03 -0.14358E+04 640 0.799E+02
DAV: 2 0.846494264968E+00 -0.36329E+03 -0.35047E+03 874 0.194E+02
DAV: 3 -0.959772542965E+02 -0.96824E+02 -0.96515E+02 666 0.115E+02
DAV: 4 -0.100207354325E+03 -0.42301E+01 -0.42205E+01 712 0.277E+01
DAV: 5 -0.100286512701E+03 -0.79158E-01 -0.79128E-01 728 0.345E+00 0.224E+01
DAV: 6 -0.915884174490E+02 0.86981E+01 -0.30917E+01 696 0.297E+01 0.117E+01
DAV: 7 -0.907286451827E+02 0.85977E+00 -0.17993E+00 696 0.629E+00 0.483E+00
DAV: 8 -0.903222774306E+02 0.40637E+00 -0.56169E-01 712 0.424E+00 0.163E+00
DAV: 9 -0.902267869840E+02 0.95490E-01 -0.13334E-01 704 0.165E+00 0.437E-01
DAV: 10 -0.902179432176E+02 0.88438E-02 -0.51167E-02 709 0.120E+00 0.345E-01
DAV: 11 -0.902229646009E+02 -0.50214E-02 -0.10657E-02 640 0.703E-01 0.138E-01
DAV: 12 -0.902249992398E+02 -0.20346E-02 -0.41554E-03 639 0.325E-01 0.122E-01
DAV: 13 -0.902279206746E+02 -0.29214E-02 -0.12372E-03 624 0.214E-01 0.791E-02
DAV: 14 -0.902324666447E+02 -0.45460E-02 -0.17655E-03 636 0.208E-01 0.657E-02
DAV: 15 -0.902343893238E+02 -0.19227E-02 -0.30640E-04 944 0.126E-01 0.377E-02
DAV: 16 -0.902360495576E+02 -0.16602E-02 -0.48347E-04 647 0.118E-01 0.297E-02
DAV: 17 -0.902367917661E+02 -0.74221E-03 -0.69921E-05 680 0.599E-02 0.193E-02
DAV: 18 -0.902375291847E+02 -0.73742E-03 -0.17600E-04 638 0.669E-02 0.124E-02
DAV: 19 -0.902376957912E+02 -0.16661E-03 -0.17772E-05 504 0.342E-02 0.602E-03
DAV: 20 -0.902377744221E+02 -0.78631E-04 -0.32988E-05 584 0.297E-02 0.673E-03
DAV: 21 -0.902378027031E+02 -0.28281E-04 -0.55512E-06 488 0.224E-02 0.161E-03
DAV: 22 -0.902378350506E+02 -0.32347E-04 -0.62612E-06 412 0.106E-02 0.153E-03
DAV: 23 -0.902378402866E+02 -0.52360E-05 -0.95266E-07 496 0.482E-03
1 F= -.90237840E+02 E0= -.90246590E+02 d E =0.262486E-01