./iterations/neb0_image02_iter109_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 0.367760362457E+03 0.36776E+03 -0.14295E+04 624 0.799E+02
DAV: 2 0.460434515170E+01 -0.36316E+03 -0.34849E+03 834 0.195E+02
DAV: 3 -0.954952967407E+02 -0.10010E+03 -0.99766E+02 672 0.116E+02
DAV: 4 -0.100178425871E+03 -0.46831E+01 -0.46718E+01 712 0.287E+01
DAV: 5 -0.100270910771E+03 -0.92485E-01 -0.92444E-01 728 0.360E+00 0.222E+01
DAV: 6 -0.916693376978E+02 0.86016E+01 -0.30867E+01 685 0.298E+01 0.117E+01
DAV: 7 -0.908476296000E+02 0.82171E+00 -0.18227E+00 704 0.633E+00 0.483E+00
DAV: 8 -0.904622298894E+02 0.38540E+00 -0.56067E-01 688 0.428E+00 0.168E+00
DAV: 9 -0.903732311454E+02 0.88999E-01 -0.13801E-01 704 0.165E+00 0.433E-01
DAV: 10 -0.903669798077E+02 0.62513E-02 -0.48242E-02 696 0.129E+00 0.325E-01
DAV: 11 -0.903705956087E+02 -0.36158E-02 -0.72952E-03 608 0.494E-01 0.149E-01
DAV: 12 -0.903739921394E+02 -0.33965E-02 -0.75334E-03 624 0.480E-01 0.133E-01
DAV: 13 -0.903767152399E+02 -0.27231E-02 -0.16008E-03 968 0.337E-01 0.809E-02
DAV: 14 -0.903797617339E+02 -0.30465E-02 -0.13670E-03 637 0.176E-01 0.580E-02
DAV: 15 -0.903820685747E+02 -0.23068E-02 -0.39519E-04 672 0.110E-01 0.439E-02
DAV: 16 -0.903834777030E+02 -0.14091E-02 -0.63680E-04 656 0.143E-01 0.313E-02
DAV: 17 -0.903843690836E+02 -0.89138E-03 -0.15152E-04 671 0.832E-02 0.207E-02
DAV: 18 -0.903845328774E+02 -0.16379E-03 -0.54557E-05 712 0.376E-02 0.985E-03
DAV: 19 -0.903847124355E+02 -0.17956E-03 -0.28206E-05 519 0.271E-02 0.333E-03
DAV: 20 -0.903847649299E+02 -0.52494E-04 -0.43487E-06 480 0.120E-02 0.402E-03
DAV: 21 -0.903848021051E+02 -0.37175E-04 -0.65714E-06 423 0.154E-02 0.517E-03
DAV: 22 -0.903848220338E+02 -0.19929E-04 -0.47499E-06 477 0.133E-02 0.304E-03
DAV: 23 -0.903848239973E+02 -0.19635E-05 -0.35117E-06 544 0.106E-02
1 F= -.90384824E+02 E0= -.90390464E+02 d E =0.169193E-01