[Pw_forum] absorption spectrum &dielectric constant of turboTDDFT

SungHwan Choi sunghwanchoi91 at gmail.com
Wed Jul 20 01:01:33 CEST 2016


    hi, I am a newbie for turboTDDFT. Now, I ran a simple example. It
was assume.
Now I have prefix.plot_chi.dat  file. then I don't know how to generate
absorption spectrum from that file and dielectric constant values. As far
as I understood, the absorption spectrum is related to imaginary part of
average \chi value. but in the file there are 9 values
         chi_1_1
         chi_2_1
         chi_3_1
         chi_1_2
         chi_2_2
         chi_3_2
         chi_1_3
         chi_2_3
         chi_3_3
This is 3*3*3 tensor. how do I get an absorption spectrum and dieletric
constant values? by the way S(E) means what?

Sincerely
Sunghwan Choi
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