GPAW atoms limit

ASE
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1

Hi,

I want to know if there is a certain limit for the amount of atoms GPAW can make calculations with. I’m trying to work with a system of 11 908 carbon atoms but an error occurs.

Screen Shot 2022-02-21 at 16.27.05
Screen Shot 2022-02-21 at 16.27.05937×76 18 KB

Thanks in advance.

2

Hi Andres,

There’s no limit.

However this is an ASE forum, please see Contact — GPAW for GPAW support. You’ll likely need to provide more context and say something about what amount of memory you would expect the calculation to use based on smaller calculations.

Best regards
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