./iterations/neb0_image03_iter248_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 0.363338613077E+03 0.36334E+03 -0.14325E+04 632 0.799E+02
DAV: 2 0.953526425603E+00 -0.36239E+03 -0.35213E+03 842 0.195E+02
DAV: 3 -0.960564425446E+02 -0.97010E+02 -0.96700E+02 672 0.115E+02
DAV: 4 -0.100310898252E+03 -0.42545E+01 -0.42442E+01 712 0.277E+01
DAV: 5 -0.100393463589E+03 -0.82565E-01 -0.82539E-01 744 0.347E+00 0.223E+01
DAV: 6 -0.917206345652E+02 0.86728E+01 -0.31338E+01 669 0.299E+01 0.117E+01
DAV: 7 -0.908827896167E+02 0.83784E+00 -0.17967E+00 720 0.633E+00 0.484E+00
DAV: 8 -0.904908680778E+02 0.39192E+00 -0.55384E-01 704 0.426E+00 0.169E+00
DAV: 9 -0.903990415169E+02 0.91827E-01 -0.13332E-01 712 0.168E+00 0.435E-01
DAV: 10 -0.903925397057E+02 0.65018E-02 -0.49054E-02 720 0.122E+00 0.337E-01
DAV: 11 -0.903971648318E+02 -0.46251E-02 -0.94783E-03 672 0.663E-01 0.119E-01
DAV: 12 -0.904000686882E+02 -0.29039E-02 -0.48947E-03 624 0.320E-01 0.121E-01
DAV: 13 -0.904042218479E+02 -0.41532E-02 -0.18081E-03 826 0.305E-01 0.856E-02
DAV: 14 -0.904072967151E+02 -0.30749E-02 -0.10590E-03 656 0.147E-01 0.556E-02
DAV: 15 -0.904094647337E+02 -0.21680E-02 -0.37248E-04 669 0.991E-02 0.288E-02
DAV: 16 -0.904108794681E+02 -0.14147E-02 -0.31016E-04 672 0.886E-02 0.225E-02
DAV: 17 -0.904116515133E+02 -0.77205E-03 -0.11675E-04 647 0.607E-02 0.101E-02
DAV: 18 -0.904119029335E+02 -0.25142E-03 -0.56720E-05 608 0.364E-02 0.104E-02
DAV: 19 -0.904119485235E+02 -0.45590E-04 -0.62502E-06 520 0.188E-02 0.470E-03
DAV: 20 -0.904120154766E+02 -0.66953E-04 -0.20390E-05 498 0.238E-02 0.539E-03
DAV: 21 -0.904120404112E+02 -0.24935E-04 -0.42474E-06 477 0.142E-02 0.221E-03
DAV: 22 -0.904120444681E+02 -0.40569E-05 -0.19969E-06 544 0.703E-03
1 F= -.90412044E+02 E0= -.90419555E+02 d E =0.225320E-01