[CP2K-user] [CP2K:20746] cp2k Hybrids + Smearing
Jürg Hutter
hutter at chem.uzh.ch
Sat Oct 5 08:31:25 UTC 2024
Hi
can you specify in more detail what combination of options you are missing?
I don't have any problems to run hybrid functionals together with the
option SMEAR.
regards
JH
________________________________________
From: cp2k at googlegroups.com <cp2k at googlegroups.com> on behalf of Angus Gentles <angus.gentles at gmail.com>
Sent: Friday, October 4, 2024 3:33 PM
To: cp2k
Subject: [CP2K:20745] cp2k Hybrids + Smearing
Dear all,
Does anyone know if there are plans to implement smearing in hybrid functional calculations?
cheers
Angus Gentles
--
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<mailto:cp2k+unsubscribe at googlegroups.com>.
To view this discussion on the web visit https://groups.google.com/d/msgid/cp2k/81dcc10c-a50b-48d9-b60b-f98f0dfc933en%40googlegroups.com<https://groups.google.com/d/msgid/cp2k/81dcc10c-a50b-48d9-b60b-f98f0dfc933en%40googlegroups.com?utm_medium=email&utm_source=footer>.
--
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 on the web visit https://groups.google.com/d/msgid/cp2k/ZR0P278MB0759365C1998B07B01C304A59F732%40ZR0P278MB0759.CHEP278.PROD.OUTLOOK.COM.
More information about the CP2K-user
mailing list