[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

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