[CP2K-user] [CP2K:22140] CUTOFF_RADIUS Keyword not working incase of HSE06 Functional
Soumyadeep Mukherjee
msoumyadeep59 at gmail.com
Fri Mar 27 07:58:28 UTC 2026
Hello CP2K users and experts,
I am new to CP2K and am currently working on a calculation for an aperiodic
solid A₂B₂ system using a supercell of approximately 9 × 9 × 15 Å.
While defining the HSE06 functional within the &HF section and the
&INTERACTION_POTENTIAL subsection, I set:
- OMEGA = 0.11 (standard value)
- POTENTIAL_TYPE = SHORTRANGE
- CUTOFF_RADIUS = 4.0 Å (chosen to be within the limit of L/2)
However, during the run, the CUTOFF_RADIUS keyword appears to be
overwritten by a default value. In the output file, the cutoff radius is
reported as 20 Å, which eventually leads to an error.
Could anyone suggest how to prevent this override or correctly enforce the
desired cutoff radius?
I have also attached pictures for how i defined my &XC section of &DFT
Thanks and regards,
Soumyadeep
--
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/1940e341-1d48-4f2a-b7a7-213b7f731aa7n%40googlegroups.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20260327/1b1e2f45/attachment-0001.htm>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: Screenshot from 2026-03-27 13-33-23.png
Type: image/png
Size: 242791 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20260327/1b1e2f45/attachment-0003.png>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: Screenshot from 2026-03-27 13-32-09.png
Type: image/png
Size: 149624 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20260327/1b1e2f45/attachment-0004.png>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: Screenshot from 2026-03-27 13-33-41.png
Type: image/png
Size: 650458 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20260327/1b1e2f45/attachment-0005.png>
More information about the CP2K-user
mailing list