[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

More information about the users mailing list