[CP2K-user] [CP2K:19274] the size of supercelll

Moon Yue yuegrit at gmail.com
Mon Sep 25 07:14:45 UTC 2023


hello, everyone.
I'm confused with the question of supercell size.
As you know, supercell of small size will make the result incorrect in CP2K.
So how to decide the "smallest size" ? 
Is there any judgment criteria?

Yue Qiang

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