[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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