Dear QE users,
Now, I use the turbo_lanczos.x and turbo_spectrum to get the absorption
spectrum.
I can get a plot_chi.dat file, as follow:
#Chi is reported as CHI_(i)_(j) \hbar \omega (Ry) Re(chi) (e^2*a_0^2/Ry)
Im(chi) (e^2*a_0^2/Ry)
# S(E) satisfies the sum rule
chi_1_1= 0.000000000000000E+00 0.189914943334197E+04
0.000000000000000E+00
chi_2_1= 0.000000000000000E+00 -.949575309581559E+03
0.000000000000000E+00
chi_3_1= 0.000000000000000E+00 -.843216803071169E-03
0.000000000000000E+00
chi_1_2= 0.000000000000000E+00 -.949574977107089E+03
0.000000000000000E+00
chi_2_2= 0.000000000000000E+00 0.189915026381885E+04
0.000000000000000E+00
chi_3_2= 0.000000000000000E+00 0.110034487599961E-03
0.000000000000000E+00
chi_1_3= 0.000000000000000E+00 -.838178086194996E-03
0.000000000000000E+00
chi_2_3= 0.000000000000000E+00 0.109036445082823E-03
0.000000000000000E+00
chi_3_3= 0.000000000000000E+00 0.153710402502629E+03
0.000000000000000E+00
What is meaning of each row and how can I get the absorption coefficients?
Many thanks.
Clarence
City University of Hong Kong
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