TDDFPT excitation analysis problem

[Mohammad Shakiba]

Hello everyone,

I ran TDDFPT calculations for (CdSe)33 QDs. The problem is that the excited state energy for two considered excited states are the same in excitation analysis and also their excitation coefficient amplitudes are the same. Is it correct or an error?

Thanks in advance.

[Matt W]

Impossible to say from the information you give us. If the system has symmetry then two states could well have the same energies.

[Sun Peng]

Hi, Mohammad. 

Can we directly use cp2k software to calculate the basic and excited states, then  obtaining Absorption spectroscopy without the help of NWCHEM? Can you deliver some helpful manuals to do this?Thank you!

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