Hi Niamh
It is known that there can be issues with the Na GTH-PBE-q9. Could you try this revised GTH-PBE-q9 for Na with the same basis set(s)? Use a large cutoff (1000 Ry or better 1200 Ry) and do not apply any smoothing.
HTH
Matthias
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Hi Niamh
With GPW, your system will need a cutoff of several thousand Rydberg for achieving force convergence.
Best
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