./iterations/neb0_image05_iter187_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 0.368778419333E+03 0.36878E+03 -0.14296E+04 624 0.799E+02
DAV: 2 0.318199345368E+01 -0.36560E+03 -0.35282E+03 864 0.195E+02
DAV: 3 -0.953561658036E+02 -0.98538E+02 -0.98210E+02 661 0.116E+02
DAV: 4 -0.999812047065E+02 -0.46250E+01 -0.46139E+01 704 0.288E+01
DAV: 5 -0.100075412319E+03 -0.94208E-01 -0.94157E-01 728 0.365E+00 0.221E+01
DAV: 6 -0.915541233063E+02 0.85213E+01 -0.30813E+01 688 0.299E+01 0.116E+01
DAV: 7 -0.907743790813E+02 0.77974E+00 -0.18876E+00 720 0.643E+00 0.483E+00
DAV: 8 -0.904002717903E+02 0.37411E+00 -0.53402E-01 728 0.426E+00 0.170E+00
DAV: 9 -0.903103153432E+02 0.89956E-01 -0.13811E-01 720 0.168E+00 0.431E-01
DAV: 10 -0.903023815800E+02 0.79338E-02 -0.46798E-02 736 0.124E+00 0.318E-01
DAV: 11 -0.903059089863E+02 -0.35274E-02 -0.70728E-03 624 0.523E-01 0.133E-01
DAV: 12 -0.903085989649E+02 -0.26900E-02 -0.62127E-03 607 0.446E-01 0.123E-01
DAV: 13 -0.903112802604E+02 -0.26813E-02 -0.14494E-03 888 0.292E-01 0.748E-02
DAV: 14 -0.903146722321E+02 -0.33920E-02 -0.12539E-03 625 0.154E-01 0.513E-02
DAV: 15 -0.903172805169E+02 -0.26083E-02 -0.40050E-04 696 0.104E-01 0.396E-02
DAV: 16 -0.903188630236E+02 -0.15825E-02 -0.50542E-04 661 0.123E-01 0.275E-02
DAV: 17 -0.903196118800E+02 -0.74886E-03 -0.10697E-04 688 0.675E-02 0.233E-02
DAV: 18 -0.903198231807E+02 -0.21130E-03 -0.94381E-05 680 0.531E-02 0.118E-02
DAV: 19 -0.903199829716E+02 -0.15979E-03 -0.24413E-05 522 0.340E-02 0.396E-03
DAV: 20 -0.903200628364E+02 -0.79865E-04 -0.10206E-05 464 0.149E-02 0.316E-03
DAV: 21 -0.903200896911E+02 -0.26855E-04 -0.37484E-06 480 0.833E-03 0.199E-03
DAV: 22 -0.903201011854E+02 -0.11494E-04 -0.19071E-06 437 0.589E-03 0.135E-03
DAV: 23 -0.903201028172E+02 -0.16318E-05 -0.56272E-07 504 0.329E-03
1 F= -.90320103E+02 E0= -.90327798E+02 d E =0.230857E-01