[CP2K-user] [CP2K:21995] Transition Density from TDDFT

Jürg Hutter hutter at chem.uzh.ch
Mon Dec 8 16:31:24 UTC 2025


Hi

currently available are the printing of excitation orbitals or NTO's.
The transition density cannot be printed.

regards
JH

________________________________________
From: cp2k at googlegroups.com <cp2k at googlegroups.com> on behalf of oandr... at gmail.com <oandresg15 at gmail.com>
Sent: Monday, December 8, 2025 7:34 AM
To: cp2k
Subject: [CP2K:21995] Transition Density from TDDFT

Dear CP2K Group,

I was wondering if is possible to print  the transition density like in ORCA in the TDDFT module of CP2K?

best,

Andres Ortega-Guerrero

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