[CP2K-user] [CP2K:20859] CP2K TD-DFT form

Zac Smith qingxinzhang6 at gmail.com
Tue Nov 5 13:48:15 UTC 2024


Thanks for your reply.


Have a good day
Zac

On Tuesday, November 5, 2024 at 5:15:46 AM UTC-5 Jürg Hutter wrote:

> Hi
>
> Yes, only TDA is available.
>
> regards
> JH
>
> ________________________________________
> From: cp... at googlegroups.com <cp... at googlegroups.com> on behalf of Zac 
> Smith <qingxi... at gmail.com>
> Sent: Tuesday, November 5, 2024 3:32 AM
> To: cp2k
> Subject: [CP2K:20856] CP2K TD-DFT form
>
> Dear CP2K Community.
> Does the TD-DFT calculation in CP2K version 2024 only support TD-DFT in 
> the Tamm-Dancoff approximation(TDA) form? Thanks.
>
>
> Have a good day
> Zac
>
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