iterations/neb0_image01_iter213_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 0.365691486130E+03 0.36569E+03 -0.14300E+04 624 0.799E+02
DAV: 2 0.323694605149E+01 -0.36245E+03 -0.34942E+03 839 0.196E+02
DAV: 3 -0.954328600208E+02 -0.98670E+02 -0.98325E+02 645 0.116E+02
DAV: 4 -0.100230506240E+03 -0.47976E+01 -0.47859E+01 704 0.297E+01
DAV: 5 -0.100326212767E+03 -0.95707E-01 -0.95657E-01 728 0.376E+00 0.222E+01
DAV: 6 -0.916946719067E+02 0.86315E+01 -0.30900E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908872241702E+02 0.80745E+00 -0.18303E+00 712 0.638E+00 0.484E+00
DAV: 8 -0.905112277874E+02 0.37600E+00 -0.55327E-01 704 0.430E+00 0.167E+00
DAV: 9 -0.904289180069E+02 0.82310E-01 -0.13217E-01 720 0.166E+00 0.423E-01
DAV: 10 -0.904244195962E+02 0.44984E-02 -0.47473E-02 712 0.124E+00 0.324E-01
DAV: 11 -0.904285612396E+02 -0.41416E-02 -0.80401E-03 608 0.587E-01 0.119E-01
DAV: 12 -0.904319155993E+02 -0.33544E-02 -0.65237E-03 629 0.441E-01 0.134E-01
DAV: 13 -0.904343633583E+02 -0.24478E-02 -0.16692E-03 853 0.312E-01 0.759E-02
DAV: 14 -0.904375722654E+02 -0.32089E-02 -0.15082E-03 642 0.197E-01 0.718E-02
DAV: 15 -0.904391479442E+02 -0.15757E-02 -0.28744E-04 688 0.113E-01 0.565E-02
DAV: 16 -0.904405408682E+02 -0.13929E-02 -0.11507E-03 661 0.209E-01 0.394E-02
DAV: 17 -0.904413479447E+02 -0.80708E-03 -0.14629E-04 661 0.844E-02 0.334E-02
DAV: 18 -0.904416784351E+02 -0.33049E-03 -0.86856E-05 680 0.461E-02 0.184E-02
DAV: 19 -0.904418587297E+02 -0.18029E-03 -0.98335E-05 645 0.553E-02 0.102E-02
DAV: 20 -0.904418845016E+02 -0.25772E-04 -0.88790E-06 512 0.200E-02 0.937E-03
DAV: 21 -0.904419254656E+02 -0.40964E-04 -0.81289E-06 404 0.155E-02 0.640E-03
DAV: 22 -0.904419360525E+02 -0.10587E-04 -0.46341E-06 480 0.153E-02 0.280E-03
DAV: 23 -0.904419404166E+02 -0.43641E-05 -0.48397E-06 458 0.131E-02
1 F= -.90441940E+02 E0= -.90447962E+02 d E =0.180657E-01