./iterations/neb0_image07_iter61_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 0.375097076963E+03 0.37510E+03 -0.14316E+04 632 0.799E+02
DAV: 2 0.396011016389E+01 -0.37114E+03 -0.35818E+03 861 0.195E+02
DAV: 3 -0.963748666263E+02 -0.10033E+03 -0.10000E+03 672 0.117E+02
DAV: 4 -0.100821048351E+03 -0.44462E+01 -0.44360E+01 704 0.283E+01
DAV: 5 -0.100908704088E+03 -0.87656E-01 -0.87621E-01 720 0.357E+00 0.227E+01
DAV: 6 -0.922993429304E+02 0.86094E+01 -0.30646E+01 698 0.302E+01 0.119E+01
DAV: 7 -0.914258648229E+02 0.87348E+00 -0.16589E+00 736 0.615E+00 0.482E+00
DAV: 8 -0.910424105826E+02 0.38345E+00 -0.55938E-01 696 0.409E+00 0.163E+00
DAV: 9 -0.909575219219E+02 0.84889E-01 -0.13282E-01 712 0.157E+00 0.427E-01
DAV: 10 -0.909475835175E+02 0.99384E-02 -0.48926E-02 728 0.114E+00 0.314E-01
DAV: 11 -0.909519081304E+02 -0.43246E-02 -0.12478E-02 610 0.591E-01 0.139E-01
DAV: 12 -0.909549888649E+02 -0.30807E-02 -0.36578E-03 614 0.288E-01 0.138E-01
DAV: 13 -0.909586433640E+02 -0.36545E-02 -0.19334E-03 759 0.278E-01 0.541E-02
DAV: 14 -0.909612835194E+02 -0.26402E-02 -0.65126E-04 664 0.117E-01 0.500E-02
DAV: 15 -0.909641376658E+02 -0.28541E-02 -0.31633E-04 634 0.820E-02 0.371E-02
DAV: 16 -0.909652287105E+02 -0.10910E-02 -0.34789E-04 677 0.950E-02 0.217E-02
DAV: 17 -0.909658744842E+02 -0.64577E-03 -0.87251E-05 653 0.536E-02 0.132E-02
DAV: 18 -0.909660507064E+02 -0.17622E-03 -0.30751E-05 616 0.262E-02 0.852E-03
DAV: 19 -0.909661268097E+02 -0.76103E-04 -0.15087E-05 434 0.292E-02 0.341E-03
DAV: 20 -0.909661485919E+02 -0.21782E-04 -0.82490E-06 512 0.155E-02 0.519E-03
DAV: 21 -0.909661623277E+02 -0.13736E-04 -0.23502E-06 431 0.115E-02 0.294E-03
DAV: 22 -0.909661744024E+02 -0.12075E-04 -0.38645E-06 418 0.114E-02 0.186E-03
DAV: 23 -0.909661774396E+02 -0.30372E-05 -0.68442E-07 496 0.544E-03
1 F= -.90966177E+02 E0= -.90971161E+02 d E =0.149505E-01