[CP2K-user] [CP2K:17493] Documentation regarding state following using transition charge finger print

[Jürg Hutter]

Hi
This 'state following' method is just using a simple overlap criterion. It was used for
a couple of simple cases but the results were not convincing. I would consider it highly
experimental and should only be used with extensive testing for your system.
regards
JH

________________________________________
From: cp2k at googlegroups.com <cp2k at googlegroups.com> on behalf of Daniel Zhang <daniel.t.zhang at ntnu.no>
Sent: Tuesday, August 16, 2022 11:22 AM
To: cp2k
Subject: [CP2K:17493] Documentation regarding state following using transition charge finger print

Hi,

Does there exist information/paper regarding the newly implemented "state following" feature as shown in the 2022.1 documentation and git merge?

https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/DFT/EXCITED_STATES.html
https://github.com/cp2k/cp2k/pull/1991/

Regards, Daniel


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