[CP2K-user] [CP2K:20695] Example input file for OVERLAP_DELTAT

Jürg Hutter hutter at chem.uzh.ch
Thu Sep 12 07:48:48 UTC 2024


Hi

this option is only available for excited states dynamics.

regards
JH

________________________________________
From: cp2k at googlegroups.com <cp2k at googlegroups.com> on behalf of Zhou Panwang <pwzhou at gmail.com>
Sent: Wednesday, September 11, 2024 11:20 AM
To: cp2k
Subject: [CP2K:20689] Example input file for OVERLAP_DELTAT

Dear all,

 I would like to know how to use this keyword to output the overlap matrix between two consecutive time steps. Could someone provide an example input file? Thank you.

Best Regards!

Panwang Zhou

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