[CP2K-user] [CP2K:19933] .wfn file size

Ho Chang Song ghthdckd123 at gmail.com
Tue Feb 20 16:57:49 UTC 2024


Hi all,

I am a newcomer to CP2K and am currently working with nanoparticles. 
However, when I attempt to work with over 500 atoms, I receive an error 
message stating that I have run out of memory.
I suspect that this may be due to the .wfn file being too large. Can 
someone please advise me on how to reduce the size of the .wfn file or 
prevent it from being generated in the first place?

Thanks,
Ho Chang

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