[CP2K-user] [CP2K:21463] EPS_DEFAULT Meaning
Krack Matthias
matthias.krack at psi.ch
Wed May 14 12:00:11 UTC 2025
Hi
Open the CP2K input reference
https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/DFT/QS.html#CP2K_INPUT.FORCE_EVAL.DFT.QS.EPS_DEFAULT
in your browser and search/find all occurrences of “EPS_DEFAULT”. EPS_DEFAULT defines the default values for all EPS_xxx keywords referring to EPS_DEFAULT in their description.
Alternatively, you can consult the source code:
https://github.com/cp2k/cp2k/blob/master/src/cp_control_utils.F - L837-L858<https://github.com/cp2k/cp2k/blob/master/src/cp_control_utils.F#L837-L858>
From: cp2k at googlegroups.com <cp2k at googlegroups.com> on behalf of Robert Molt <rwmolt07 at gmail.com>
Date: Wednesday, 14 May 2025 at 13:32
To: cp2k <cp2k at googlegroups.com>
Subject: [CP2K:21462] EPS_DEFAULT Meaning
Good morning,
Can someone clarify the EPS_DEFAULT keyword? The manual is unclear. It states:
"Try setting all EPS_xxx to values leading to an energy correct up to EPS_DEFAULT"
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