[CP2K-user] [CP2K:22200] Regarding HSE06 calculation
'Vasanthapandiyan M' via cp2k
cp2k at googlegroups.com
Mon Apr 27 07:03:57 UTC 2026
Hello everyone,
Currently, I am attempting to perform a true HSE06 single-point calculation
followed by a PBE geometry optimization. Is it normal to receive the
following error?
"*** WARNING in hfx_types.F:2091 :: Periodic Hartree Fock calculation ***
*** requested with the use of a truncated or shortrange potential. The ***
*** cutoff radius is larger than half the minimal cell dimension. This ***
*** may lead to unphysical total energies. Reduce the cutoff radius in ***
*** order to avoid possible problems. "
I attempted to enable or lower the cutoff values, but it is not working.
Here, I have attached my input files.
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