./iterations/neb0_image09_iter101_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 0.374592012816E+03 0.37459E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.249105150437E+01 -0.37210E+03 -0.35976E+03 877 0.196E+02
DAV: 3 -0.966926065950E+02 -0.99184E+02 -0.98846E+02 656 0.117E+02
DAV: 4 -0.101231494452E+03 -0.45389E+01 -0.45295E+01 696 0.289E+01
DAV: 5 -0.101321347451E+03 -0.89853E-01 -0.89814E-01 736 0.368E+00 0.227E+01
DAV: 6 -0.926685209686E+02 0.86528E+01 -0.30849E+01 701 0.301E+01 0.119E+01
DAV: 7 -0.918015650796E+02 0.86696E+00 -0.17138E+00 728 0.615E+00 0.480E+00
DAV: 8 -0.914247380064E+02 0.37683E+00 -0.54580E-01 712 0.396E+00 0.163E+00
DAV: 9 -0.913425737197E+02 0.82164E-01 -0.13052E-01 704 0.155E+00 0.424E-01
DAV: 10 -0.913337074282E+02 0.88663E-02 -0.45451E-02 768 0.111E+00 0.302E-01
DAV: 11 -0.913382090570E+02 -0.45016E-02 -0.12808E-02 616 0.589E-01 0.143E-01
DAV: 12 -0.913411949804E+02 -0.29859E-02 -0.29605E-03 620 0.246E-01 0.113E-01
DAV: 13 -0.913449710280E+02 -0.37760E-02 -0.15331E-03 720 0.215E-01 0.446E-02
DAV: 14 -0.913483878265E+02 -0.34168E-02 -0.63190E-04 661 0.142E-01 0.339E-02
DAV: 15 -0.913497518163E+02 -0.13640E-02 -0.14247E-04 672 0.759E-02 0.357E-02
DAV: 16 -0.913511014769E+02 -0.13497E-02 -0.37052E-04 650 0.102E-01 0.209E-02
DAV: 17 -0.913513914742E+02 -0.29000E-03 -0.53742E-05 688 0.565E-02 0.133E-02
DAV: 18 -0.913516300093E+02 -0.23854E-03 -0.49517E-05 634 0.353E-02 0.123E-02
DAV: 19 -0.913517476844E+02 -0.11768E-03 -0.14044E-05 472 0.206E-02 0.536E-03
DAV: 20 -0.913517846452E+02 -0.36961E-04 -0.98159E-06 456 0.181E-02 0.181E-03
DAV: 21 -0.913518096749E+02 -0.25030E-04 -0.47604E-06 420 0.102E-02 0.239E-03
DAV: 22 -0.913518128595E+02 -0.31846E-05 -0.80953E-07 504 0.419E-03
1 F= -.91351813E+02 E0= -.91356674E+02 d E =0.145847E-01