[CP2K-user] [CP2K:17904] Geometry optimization input

Shweta Choudhary sc13111999 at gmail.com
Wed Oct 19 12:38:25 UTC 2022


Hi all,

Can anyone provide geometry optimization input with Kpoints. With the input
on cp2k.org, I am unable to converge scf even after 1000 steps.

Many thanks!
Sweta

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