./iterations/neb0_image06_iter136_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 0.371566937067E+03 0.37157E+03 -0.14341E+04 640 0.799E+02
DAV: 2 0.359544741278E+01 -0.36797E+03 -0.35575E+03 877 0.193E+02
DAV: 3 -0.958307590206E+02 -0.99426E+02 -0.99102E+02 693 0.116E+02
DAV: 4 -0.100312924282E+03 -0.44822E+01 -0.44703E+01 696 0.276E+01
DAV: 5 -0.100403334663E+03 -0.90410E-01 -0.90366E-01 733 0.347E+00 0.225E+01
DAV: 6 -0.918843161536E+02 0.85190E+01 -0.30614E+01 712 0.304E+01 0.118E+01
DAV: 7 -0.910724943525E+02 0.81182E+00 -0.17098E+00 704 0.628E+00 0.480E+00
DAV: 8 -0.906967029268E+02 0.37579E+00 -0.53323E-01 720 0.405E+00 0.167E+00
DAV: 9 -0.906063737584E+02 0.90329E-01 -0.13160E-01 720 0.161E+00 0.419E-01
DAV: 10 -0.905965907622E+02 0.97830E-02 -0.37989E-02 776 0.979E-01 0.286E-01
DAV: 11 -0.906007103167E+02 -0.41196E-02 -0.94671E-03 613 0.512E-01 0.144E-01
DAV: 12 -0.906031128749E+02 -0.24026E-02 -0.18591E-03 645 0.243E-01 0.896E-02
DAV: 13 -0.906074756001E+02 -0.43627E-02 -0.16618E-03 630 0.209E-01 0.603E-02
DAV: 14 -0.906099977853E+02 -0.25222E-02 -0.50948E-04 896 0.162E-01 0.285E-02
DAV: 15 -0.906124828747E+02 -0.24851E-02 -0.33870E-04 634 0.866E-02 0.308E-02
DAV: 16 -0.906136207153E+02 -0.11378E-02 -0.11919E-04 749 0.605E-02 0.158E-02
DAV: 17 -0.906145319797E+02 -0.91126E-03 -0.13833E-04 642 0.551E-02 0.127E-02
DAV: 18 -0.906147667042E+02 -0.23472E-03 -0.18948E-05 520 0.259E-02 0.640E-03
DAV: 19 -0.906149106662E+02 -0.14396E-03 -0.35731E-05 548 0.275E-02 0.634E-03
DAV: 20 -0.906149169197E+02 -0.62535E-05 -0.25806E-06 536 0.120E-02
1 F= -.90614917E+02 E0= -.90618926E+02 d E =0.120269E-01