[CP2K-user] [CP2K:16943] NOTCONV_STOPALL tag

[Geng Sun]

Hi,
I noticed that NOTCONV_STOPALL only terminates molecular dynamic simulation, but geometry optimization will continues even if SCF did not converge (cp2k-v9.1)
How can I stop the geometry optimization as well? I would like to make sure every energy point I got was converged.
Thank you very much in advance.
Best,
Geng

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