[Pw_forum] About the absorption spectrum of TDDFT
zhao-shuai at edu.life.kyutech.ac.jp
Tue Jul 22 14:34:05 CEST 2014
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
2. If so, how to translate it to wavelength versus absorption intensity?
Thanks in advance.
Graduate School of Life Science and Systems Engineering
Kyushu Institute of Technology, Japan
More information about the users