[CP2K-user] TDDFPT excitation analysis problem

Matt W mattwa... at gmail.com
Mon Jun 29 13:24:59 UTC 2020


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

On Wednesday, June 24, 2020 at 1:21:46 PM UTC+1, Mohammad Shakiba wrote:
>
> 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. 
>
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