iterations/neb0_image06_iter189_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 0.371731193828E+03 0.37173E+03 -0.14353E+04 640 0.799E+02
DAV: 2 0.447151919950E+01 -0.36726E+03 -0.35521E+03 861 0.193E+02
DAV: 3 -0.959949858799E+02 -0.10047E+03 -0.10012E+03 693 0.116E+02
DAV: 4 -0.100523883604E+03 -0.45289E+01 -0.45173E+01 720 0.279E+01
DAV: 5 -0.100613628565E+03 -0.89745E-01 -0.89700E-01 736 0.351E+00 0.227E+01
DAV: 6 -0.920346565342E+02 0.85790E+01 -0.30562E+01 701 0.301E+01 0.119E+01
DAV: 7 -0.911939237508E+02 0.84073E+00 -0.17403E+00 720 0.624E+00 0.481E+00
DAV: 8 -0.908158665232E+02 0.37806E+00 -0.55025E-01 704 0.413E+00 0.165E+00
DAV: 9 -0.907276668780E+02 0.88200E-01 -0.12730E-01 720 0.157E+00 0.421E-01
DAV: 10 -0.907176270629E+02 0.10040E-01 -0.37253E-02 736 0.964E-01 0.286E-01
DAV: 11 -0.907218519100E+02 -0.42248E-02 -0.97419E-03 602 0.507E-01 0.146E-01
DAV: 12 -0.907246126650E+02 -0.27608E-02 -0.22849E-03 629 0.255E-01 0.825E-02
DAV: 13 -0.907285825567E+02 -0.39699E-02 -0.14854E-03 630 0.175E-01 0.596E-02
DAV: 14 -0.907321751485E+02 -0.35926E-02 -0.10899E-03 728 0.235E-01 0.432E-02
DAV: 15 -0.907337579784E+02 -0.15828E-02 -0.29821E-04 728 0.993E-02 0.397E-02
DAV: 16 -0.907350409028E+02 -0.12829E-02 -0.38812E-04 709 0.121E-01 0.177E-02
DAV: 17 -0.907357842398E+02 -0.74334E-03 -0.10577E-04 672 0.531E-02 0.153E-02
DAV: 18 -0.907360680244E+02 -0.28378E-03 -0.33041E-05 584 0.244E-02 0.910E-03
DAV: 19 -0.907361811780E+02 -0.11315E-03 -0.24617E-05 514 0.283E-02 0.322E-03
DAV: 20 -0.907362053691E+02 -0.24191E-04 -0.42581E-06 488 0.122E-02 0.299E-03
DAV: 21 -0.907362238978E+02 -0.18529E-04 -0.28160E-06 409 0.783E-03 0.228E-03
DAV: 22 -0.907362261171E+02 -0.22192E-05 -0.59621E-07 520 0.510E-03
1 F= -.90736226E+02 E0= -.90741004E+02 d E =0.143330E-01