[CP2K-user] [CP2K:20857] CP2K TD-DFT form

Jürg Hutter hutter at chem.uzh.ch
Tue Nov 5 10:15:36 UTC 2024


Hi

Yes, only TDA is available.

regards
JH

________________________________________
From: cp2k at googlegroups.com <cp2k at googlegroups.com> on behalf of Zac Smith <qingxinzhang6 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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