Hi, I'm not sure if this is the appropriate section for my question.

When doing a geometry optimization calculation on a supercell in CASTEP I sometimes get the following error mesage:

error in allocating recip_beta_save in ion_beta_recip_set.

This error only seems to occur when using a higher cutoff energy, at a fine cutoff energy everything seems fine.

I would appreciate it if anyone could advise me on this matter.

Thank you
David