[Pw_forum] How to get absorption coefficient

LEUNG Clarence liangxy123 at hotmail.com
Mon Jul 31 16:27:29 CEST 2017

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.


City University of Hong Kong
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