[CP2K-user] [CP2K:21703] Fwd: Need help regarding cp2k
朱雀
wanghong.id at gmail.com
Wed Jul 30 08:16:27 UTC 2025
Hi, I've had a general look through your input file and there are a lot of
questions, I was hoping you could upload me the following result file,
something like a .log file.
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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