[CP2K-user] TDDFT on periodic system - Is it possible?
MD Simulation
mdsimula... at gmail.com
Fri Aug 7 11:08:57 UTC 2020
Hello,
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?
Thanks,
Dave
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20200807/dc680853/attachment.htm>
More information about the CP2K-user
mailing list