iterations/neb0_image09_iter94_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 0.374375253064E+03 0.37438E+03 -0.14280E+04 624 0.799E+02
DAV: 2 0.245769809351E+01 -0.37192E+03 -0.35956E+03 877 0.196E+02
DAV: 3 -0.967425947143E+02 -0.99200E+02 -0.98863E+02 664 0.116E+02
DAV: 4 -0.101224676338E+03 -0.44821E+01 -0.44727E+01 696 0.285E+01
DAV: 5 -0.101313679359E+03 -0.89003E-01 -0.88964E-01 736 0.362E+00 0.227E+01
DAV: 6 -0.926691416691E+02 0.86445E+01 -0.30853E+01 701 0.301E+01 0.119E+01
DAV: 7 -0.918017874143E+02 0.86735E+00 -0.17069E+00 728 0.615E+00 0.479E+00
DAV: 8 -0.914243383708E+02 0.37745E+00 -0.54694E-01 712 0.397E+00 0.162E+00
DAV: 9 -0.913422603669E+02 0.82078E-01 -0.13042E-01 704 0.155E+00 0.424E-01
DAV: 10 -0.913333318393E+02 0.89285E-02 -0.45629E-02 760 0.112E+00 0.303E-01
DAV: 11 -0.913377792146E+02 -0.44474E-02 -0.12801E-02 616 0.588E-01 0.142E-01
DAV: 12 -0.913407842945E+02 -0.30051E-02 -0.29772E-03 620 0.244E-01 0.116E-01
DAV: 13 -0.913445685231E+02 -0.37842E-02 -0.16011E-03 720 0.222E-01 0.433E-02
DAV: 14 -0.913477911719E+02 -0.32226E-02 -0.55426E-04 661 0.129E-01 0.342E-02
DAV: 15 -0.913494413094E+02 -0.16501E-02 -0.14733E-04 696 0.692E-02 0.343E-02
DAV: 16 -0.913507694013E+02 -0.13281E-02 -0.34978E-04 650 0.938E-02 0.201E-02
DAV: 17 -0.913510506128E+02 -0.28121E-03 -0.54590E-05 688 0.557E-02 0.123E-02
DAV: 18 -0.913512862894E+02 -0.23568E-03 -0.47656E-05 620 0.325E-02 0.117E-02
DAV: 19 -0.913513696042E+02 -0.83315E-04 -0.80298E-06 480 0.193E-02 0.623E-03
DAV: 20 -0.913514095134E+02 -0.39909E-04 -0.22800E-05 512 0.287E-02 0.523E-03
DAV: 21 -0.913514272093E+02 -0.17696E-04 -0.35680E-06 450 0.152E-02 0.266E-03
DAV: 22 -0.913514330622E+02 -0.58529E-05 -0.24948E-06 450 0.775E-03
1 F= -.91351433E+02 E0= -.91356141E+02 d E =0.141227E-01