[CP2K-user] TDDFT on periodic system - Is it possible?

MD Simulation mdsimula... at gmail.com
Fri Aug 7 11:08:57 UTC 2020


I have a polymer in a a periodic cell.  I would like to calculate the 
UV-Vis using TDDFT.  Is that possible in CP2K 7.0?  If so, what commands 
should I be looking at?

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