[CP2K-user] [CP2K:20712] out of memory: C3N4 (56 atoms) HES06 + RI-HFX + ADMM

yj jiang rudin.jiang at gmail.com
Sun Sep 15 16:02:44 UTC 2024


Hi, I'm calculating band structure for C3N4 with a Ni atom (attachment). I 
want to use HES06 + RI-HFX + ADMM. There is a "out of memory" error. How 
can I address this? Thx. a lot.

I can access a hpc with max memory of 512G.

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