[CP2K-user] [CP2K:21701] Fwd: Need help regarding cp2k
朱雀
wanghong.id at gmail.com
Tue Jul 29 19:57:35 UTC 2025
Okay, I'll take a look.
Kaustubh Pathak <kaustubhpathak936 at gmail.com> 于 2025年7月30日周三 01:40写道:
> I am a cp2k beginner and have encountered some issues regarding it. I am
> trying to optimize the geometry of 152 atoms which includes C, Cl, K and
> Mo. I am attaching the input file please let me know why the restart files
> are not generated. My output file reached 576 GB and then terminated due
> timeout.
>
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