[CP2K-user] [CP2K:16426] Can CP2K perform geometry optimization or molecular dynamics for excited states?

mshakiba.k...@gmail.com mshakiba.kerman.iran at gmail.com
Tue Jan 4 09:16:12 UTC 2022

Hello everyone, 

I wanted to know is it possible to perform geometry optimization or 
molecular dynamics in excited states in CP2K? 
Another question is that can we print out the TD-DFT excited states forces 
for a geometry too?

Thank you very much in advance.

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