iterations/neb0_image01_iter20_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 0.364784260990E+03 0.36478E+03 -0.14286E+04 624 0.799E+02
DAV: 2 0.254622747142E+01 -0.36224E+03 -0.35018E+03 847 0.195E+02
DAV: 3 -0.956499163566E+02 -0.98196E+02 -0.97867E+02 685 0.116E+02
DAV: 4 -0.100036061531E+03 -0.43861E+01 -0.43762E+01 696 0.276E+01
DAV: 5 -0.100123985326E+03 -0.87924E-01 -0.87874E-01 728 0.346E+00 0.221E+01
DAV: 6 -0.915491770434E+02 0.85748E+01 -0.30993E+01 696 0.298E+01 0.116E+01
DAV: 7 -0.907446119655E+02 0.80457E+00 -0.18135E+00 720 0.638E+00 0.482E+00
DAV: 8 -0.903660500071E+02 0.37856E+00 -0.56927E-01 720 0.435E+00 0.167E+00
DAV: 9 -0.902826047353E+02 0.83445E-01 -0.13821E-01 728 0.166E+00 0.436E-01
DAV: 10 -0.902768885504E+02 0.57162E-02 -0.40412E-02 720 0.123E+00 0.305E-01
DAV: 11 -0.902805429751E+02 -0.36544E-02 -0.62429E-03 608 0.442E-01 0.165E-01
DAV: 12 -0.902838165429E+02 -0.32736E-02 -0.64837E-03 624 0.508E-01 0.117E-01
DAV: 13 -0.902868608927E+02 -0.30443E-02 -0.10734E-03 720 0.269E-01 0.778E-02
DAV: 14 -0.902896997822E+02 -0.28389E-02 -0.15928E-03 629 0.192E-01 0.520E-02
DAV: 15 -0.902919566278E+02 -0.22568E-02 -0.39397E-04 829 0.142E-01 0.306E-02
DAV: 16 -0.902930652004E+02 -0.11086E-02 -0.28677E-04 672 0.891E-02 0.281E-02
DAV: 17 -0.902939763991E+02 -0.91120E-03 -0.13128E-04 658 0.659E-02 0.192E-02
DAV: 18 -0.902942392444E+02 -0.26285E-03 -0.96062E-05 688 0.573E-02 0.129E-02
DAV: 19 -0.902944032598E+02 -0.16402E-03 -0.25292E-05 495 0.321E-02 0.600E-03
DAV: 20 -0.902944437454E+02 -0.40486E-04 -0.95036E-06 488 0.158E-02 0.411E-03
DAV: 21 -0.902944690490E+02 -0.25304E-04 -0.23781E-06 434 0.924E-03 0.282E-03
DAV: 22 -0.902944907786E+02 -0.21730E-04 -0.34144E-06 450 0.793E-03 0.205E-03
DAV: 23 -0.902944937795E+02 -0.30009E-05 -0.14826E-06 512 0.969E-03
1 F= -.90294494E+02 E0= -.90300778E+02 d E =0.188529E-01