./iterations/neb0_image02_iter133_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 0.364481371369E+03 0.36448E+03 -0.14328E+04 632 0.799E+02
DAV: 2 0.388502679340E+01 -0.36060E+03 -0.34619E+03 834 0.194E+02
DAV: 3 -0.955949895374E+02 -0.99480E+02 -0.99147E+02 672 0.116E+02
DAV: 4 -0.100209439763E+03 -0.46145E+01 -0.46031E+01 720 0.285E+01
DAV: 5 -0.100298146984E+03 -0.88707E-01 -0.88667E-01 736 0.357E+00 0.222E+01
DAV: 6 -0.916750283869E+02 0.86231E+01 -0.30949E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908591506156E+02 0.81588E+00 -0.18479E+00 704 0.637E+00 0.484E+00
DAV: 8 -0.904756058459E+02 0.38354E+00 -0.55685E-01 704 0.429E+00 0.169E+00
DAV: 9 -0.903867395117E+02 0.88866E-01 -0.13980E-01 704 0.166E+00 0.433E-01
DAV: 10 -0.903807638357E+02 0.59757E-02 -0.48195E-02 704 0.130E+00 0.325E-01
DAV: 11 -0.903842464664E+02 -0.34826E-02 -0.70089E-03 608 0.497E-01 0.154E-01
DAV: 12 -0.903876207524E+02 -0.33743E-02 -0.78850E-03 632 0.495E-01 0.134E-01
DAV: 13 -0.903905113136E+02 -0.28906E-02 -0.17393E-03 976 0.348E-01 0.834E-02
DAV: 14 -0.903934615287E+02 -0.29502E-02 -0.12901E-03 637 0.167E-01 0.591E-02
DAV: 15 -0.903957673660E+02 -0.23058E-02 -0.41968E-04 661 0.110E-01 0.445E-02
DAV: 16 -0.903972008006E+02 -0.14334E-02 -0.63944E-04 664 0.144E-01 0.309E-02
DAV: 17 -0.903980576208E+02 -0.85682E-03 -0.13894E-04 661 0.775E-02 0.221E-02
DAV: 18 -0.903982545290E+02 -0.19691E-03 -0.61023E-05 672 0.390E-02 0.971E-03
DAV: 19 -0.903984190311E+02 -0.16450E-03 -0.29932E-05 530 0.284E-02 0.406E-03
DAV: 20 -0.903984631133E+02 -0.44082E-04 -0.38895E-06 472 0.120E-02 0.476E-03
DAV: 21 -0.903984946747E+02 -0.31561E-04 -0.57080E-06 442 0.147E-02 0.533E-03
DAV: 22 -0.903985144701E+02 -0.19795E-04 -0.44592E-06 466 0.137E-02 0.269E-03
DAV: 23 -0.903985171197E+02 -0.26496E-05 -0.39067E-06 512 0.108E-02
1 F= -.90398517E+02 E0= -.90404647E+02 d E =0.183891E-01