[CP2K-user] [CP2K:19199] CP2K combined with Newton-X runs non-adiabatic dynamics

[Anna Hehn]

Dear Zac Smith,

thank you for your interest in using the CP2K-NEWTONX interface! I will set
up a tutorial on how to use the interface and put it on the CP2K homepage.

Kind regards,

Anna

Am Mi., 16. Aug. 2023 um 20:20 Uhr schrieb Zac Smith <
qingxinzhang6 at gmail.com>:

> Dear all,
> It is possible to run adiabatic molecular dynamics using CP2K. But for
> high energy levels, very dense excited states, internal transitions must be
> considered. So CP2K combined with Newton-X to run non-adiabatic dynamics is
> a good way to calculate excited state dynamics of TDDFT. Do you know the
> instructions on how to use CP2K combined with Newton-X?
>
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