[CP2K-user] [CP2K:19465] Fwd: Pt system heating up

Jonathan Torstensen jonators at gmail.com
Mon Nov 6 08:23:27 UTC 2023


---------- Forwarded message ---------
From: Jonathan Torstensen <jonators at gmail.com>
Date: Mon, 6 Nov 2023 at 09:19
Subject: Pt system heating up
To: <cp2k at googlegroups.com>


Dear all,

Can you explain to me why this system is heating up?

I stopped the simulation at about 275 K, but from previous experiences it
wil reach >1000 K eventually?

I need it to become stable so I can simulate the next part, Pt-water
interactions.

Best, Jonathan

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