[Pw_forum] About the absorption spectrum of TDDFT

shuai zhao-shuai at edu.life.kyutech.ac.jp
Tue Jul 22 14:34:05 CEST 2014


Hello all,
In the output file "**.plot" of turbo_spectrum.x, the 2nd column is the 
Energy [Ry], the 4th is Im part, and a line of S(E). My question:
1. Does the "S(E)" line demonstrate the relation between Energy and 
absorption intensity?
2. If so, how to translate it to wavelength versus absorption intensity?

Thanks in advance.

S. Zhao

-- 
Graduate student
Graduate School of Life Science and Systems Engineering
Kyushu Institute of Technology, Japan




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