./iterations/neb0_image03_iter78_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 0.367495572535E+03 0.36750E+03 -0.14321E+04 632 0.799E+02
DAV: 2 0.290481822572E+01 -0.36459E+03 -0.35204E+03 853 0.195E+02
DAV: 3 -0.955938818984E+02 -0.98499E+02 -0.98180E+02 661 0.116E+02
DAV: 4 -0.100129652365E+03 -0.45358E+01 -0.45262E+01 720 0.287E+01
DAV: 5 -0.100218141554E+03 -0.88489E-01 -0.88453E-01 736 0.360E+00 0.222E+01
DAV: 6 -0.916284206009E+02 0.85897E+01 -0.30667E+01 685 0.296E+01 0.116E+01
DAV: 7 -0.907788886892E+02 0.84953E+00 -0.18338E+00 696 0.640E+00 0.483E+00
DAV: 8 -0.903736148093E+02 0.40527E+00 -0.57421E-01 704 0.434E+00 0.165E+00
DAV: 9 -0.902787005783E+02 0.94914E-01 -0.13831E-01 704 0.174E+00 0.439E-01
DAV: 10 -0.902707271109E+02 0.79735E-02 -0.47366E-02 720 0.116E+00 0.335E-01
DAV: 11 -0.902743396718E+02 -0.36126E-02 -0.73142E-03 605 0.562E-01 0.114E-01
DAV: 12 -0.902769100021E+02 -0.25703E-02 -0.45805E-03 631 0.301E-01 0.118E-01
DAV: 13 -0.902813461789E+02 -0.44362E-02 -0.19320E-03 832 0.353E-01 0.849E-02
DAV: 14 -0.902841317789E+02 -0.27856E-02 -0.82921E-04 664 0.139E-01 0.594E-02
DAV: 15 -0.902868158086E+02 -0.26840E-02 -0.75761E-04 672 0.163E-01 0.296E-02
DAV: 16 -0.902883899505E+02 -0.15741E-02 -0.22840E-04 688 0.818E-02 0.208E-02
DAV: 17 -0.902891837840E+02 -0.79383E-03 -0.90595E-05 664 0.443E-02 0.121E-02
DAV: 18 -0.902895161838E+02 -0.33240E-03 -0.56822E-05 600 0.377E-02 0.731E-03
DAV: 19 -0.902895956086E+02 -0.79425E-04 -0.67901E-06 480 0.168E-02 0.440E-03
DAV: 20 -0.902896663706E+02 -0.70762E-04 -0.13051E-05 428 0.208E-02 0.369E-03
DAV: 21 -0.902896946371E+02 -0.28267E-04 -0.40464E-06 456 0.979E-03 0.265E-03
DAV: 22 -0.902896996268E+02 -0.49897E-05 -0.15815E-06 536 0.755E-03
1 F= -.90289700E+02 E0= -.90298054E+02 d E =0.250641E-01