./iterations/neb0_image04_iter214_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 0.365676267563E+03 0.36568E+03 -0.14329E+04 632 0.799E+02
DAV: 2 0.998487600532E+00 -0.36468E+03 -0.35296E+03 869 0.194E+02
DAV: 3 -0.959915810418E+02 -0.96990E+02 -0.96690E+02 656 0.116E+02
DAV: 4 -0.100313374411E+03 -0.43218E+01 -0.43133E+01 712 0.282E+01
DAV: 5 -0.100397435282E+03 -0.84061E-01 -0.84031E-01 736 0.353E+00 0.224E+01
DAV: 6 -0.916758754529E+02 0.87216E+01 -0.31143E+01 693 0.298E+01 0.117E+01
DAV: 7 -0.908068603457E+02 0.86902E+00 -0.17855E+00 712 0.644E+00 0.484E+00
DAV: 8 -0.903927921157E+02 0.41407E+00 -0.55413E-01 696 0.444E+00 0.173E+00
DAV: 9 -0.903010090026E+02 0.91783E-01 -0.14540E-01 717 0.199E+00 0.529E-01
DAV: 10 -0.902886042519E+02 0.12405E-01 -0.35340E-02 704 0.982E-01 0.343E-01
DAV: 11 -0.902903289362E+02 -0.17247E-02 -0.99358E-03 709 0.537E-01 0.218E-01
DAV: 12 -0.902929560222E+02 -0.26271E-02 -0.28291E-03 693 0.467E-01 0.132E-01
DAV: 13 -0.902962910567E+02 -0.33350E-02 -0.22596E-03 623 0.320E-01 0.987E-02
DAV: 14 -0.903009097320E+02 -0.46187E-02 -0.24487E-03 620 0.276E-01 0.559E-02
DAV: 15 -0.903023687433E+02 -0.14590E-02 -0.33259E-04 688 0.101E-01 0.477E-02
DAV: 16 -0.903048160120E+02 -0.24473E-02 -0.86483E-04 727 0.199E-01 0.375E-02
DAV: 17 -0.903057098518E+02 -0.89384E-03 -0.15596E-04 680 0.745E-02 0.362E-02
DAV: 18 -0.903063738062E+02 -0.66395E-03 -0.15928E-04 722 0.710E-02 0.200E-02
DAV: 19 -0.903066665063E+02 -0.29270E-03 -0.83434E-05 728 0.560E-02 0.955E-03
DAV: 20 -0.903068475627E+02 -0.18106E-03 -0.18075E-05 463 0.215E-02 0.806E-03
DAV: 21 -0.903069272781E+02 -0.79715E-04 -0.90323E-06 466 0.130E-02 0.492E-03
DAV: 22 -0.903069794492E+02 -0.52171E-04 -0.11370E-05 423 0.174E-02 0.159E-03
DAV: 23 -0.903069866071E+02 -0.71579E-05 -0.21840E-06 504 0.705E-03
1 F= -.90306987E+02 E0= -.90315341E+02 d E =0.250643E-01