[CP2K-user] [CP2K:22095] PBE exchange functional used for the ADMM correction
Torstein Fjermestad
tfjermestad at gmail.com
Mon Feb 9 20:07:17 UTC 2026
CP2K version 2025.2
Dear all,
For the ADMM correction, there seems to be two versions of the PBE
functional. Two of the values of the keyword “EXCH_CORRECTION_FUNC” are
“DEFAULT” (“Use PBE-based corrections according to the chosen interaction
operator”) and “PBEX” (“Use PBEX functional for exchange correction”).
What is the difference between these two PBE exchange functionals?
Thanks for your help.
Best regards,
Torstein
--
You received this message because you are subscribed to the Google Groups "cp2k" group.
To unsubscribe from this group and stop receiving emails from it, send an email to cp2k+unsubscribe at googlegroups.com.
To view this discussion visit https://groups.google.com/d/msgid/cp2k/e06433be-aec0-4904-9cc3-4bc5dc060d7fn%40googlegroups.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20260209/8dc7ac56/attachment-0001.htm>
More information about the CP2K-user
mailing list