[CP2K-user] Some questions about using RT-TDDFT method in cp2k code to calculate spectrum

[lin xiong]

Hi all,
    

    Recently I learned that cp2k code has two ways to calculate the 
absorption spectrum, namely real time propagation TDDFT and TDDFPT. I would 
like to ask some questions about using rt-TDDFT to calculate the spectra.

    1. First of all, I would like to ask if my input file is correct? If 
the input file is correct, then there are two additional questions: 2. In 
which file (as shown in the figure below) is the data used to draw the 
spectrum stored? 3. How to use these data to plot the spectrum? 

[image: 25.jpg]

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