[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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