./iterations/neb0_image04_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 0.370500306563E+03 0.37050E+03 -0.14316E+04 632 0.799E+02
DAV: 2 0.396542041306E+01 -0.36653E+03 -0.35452E+03 858 0.195E+02
DAV: 3 -0.954651112650E+02 -0.99431E+02 -0.99113E+02 680 0.116E+02
DAV: 4 -0.998772789570E+02 -0.44122E+01 -0.44012E+01 704 0.281E+01
DAV: 5 -0.999622571482E+02 -0.84978E-01 -0.84940E-01 720 0.354E+00 0.222E+01
DAV: 6 -0.914302308259E+02 0.85320E+01 -0.29976E+01 693 0.295E+01 0.116E+01
DAV: 7 -0.905696103852E+02 0.86062E+00 -0.17542E+00 720 0.628E+00 0.480E+00
DAV: 8 -0.901700240081E+02 0.39959E+00 -0.56083E-01 712 0.423E+00 0.165E+00
DAV: 9 -0.900748477569E+02 0.95176E-01 -0.13319E-01 720 0.180E+00 0.446E-01
DAV: 10 -0.900646103069E+02 0.10237E-01 -0.59404E-02 709 0.144E+00 0.357E-01
DAV: 11 -0.900685394761E+02 -0.39292E-02 -0.16085E-02 632 0.763E-01 0.151E-01
DAV: 12 -0.900697939971E+02 -0.12545E-02 -0.53507E-03 628 0.350E-01 0.148E-01
DAV: 13 -0.900730280687E+02 -0.32341E-02 -0.33434E-03 837 0.441E-01 0.798E-02
DAV: 14 -0.900771762743E+02 -0.41482E-02 -0.15174E-03 655 0.202E-01 0.718E-02
DAV: 15 -0.900790896532E+02 -0.19134E-02 -0.26691E-04 760 0.113E-01 0.407E-02
DAV: 16 -0.900810788924E+02 -0.19892E-02 -0.72575E-04 658 0.154E-01 0.337E-02
DAV: 17 -0.900820649471E+02 -0.98605E-03 -0.17707E-04 816 0.909E-02 0.154E-02
DAV: 18 -0.900825216389E+02 -0.45669E-03 -0.74346E-05 580 0.376E-02 0.952E-03
DAV: 19 -0.900826561011E+02 -0.13446E-03 -0.16146E-05 496 0.207E-02 0.263E-03
DAV: 20 -0.900827380923E+02 -0.81991E-04 -0.11091E-05 430 0.129E-02 0.400E-03
DAV: 21 -0.900827583071E+02 -0.20215E-04 -0.22969E-06 488 0.702E-03 0.209E-03
DAV: 22 -0.900827686602E+02 -0.10353E-04 -0.31695E-06 398 0.835E-03 0.152E-03
DAV: 23 -0.900827685770E+02 0.83161E-07 -0.47293E-07 541 0.372E-03
1 F= -.90082769E+02 E0= -.90086821E+02 d E =0.121580E-01